USER MOD reduce.3.24.130724 H: found=0, std=0, add=1411, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 78 THR OG1 : rot 65:sc= 1.71 USER MOD Set 2.1: A 1 MET CE :methyl -148:sc= -0.0111 (180deg=-0.736) USER MOD Set 2.2: A 4 SER OG : rot 47:sc= 1.25 USER MOD Single : A 1 MET N :NH3+ 165:sc=-0.00674 (180deg=-0.233) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0143 K(o=-0.014,f=-1.7) USER MOD Single : A 5 ASN : amide:sc= -0.0715 K(o=-0.072,f=-2.3!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc=-0.00168 (180deg=-0.0798) USER MOD Single : A 18 SER OG : rot -80:sc= 1.25 USER MOD Single : A 19 GLN : amide:sc= -1.87! K(o=-1.9!,f=-0.41) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.644 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.209 K(o=-0.21,f=-0.81) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.46! K(o=-1.5!,f=-0.12) USER MOD Single : A 35 THR OG1 : rot 42:sc= 0.4 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 150:sc= 0.775 (180deg=-0.106) USER MOD Single : A 48 GLN : amide:sc= -0.96 K(o=-0.96,f=-2.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 76:sc= 0.0787 USER MOD Single : A 69 THR OG1 : rot -94:sc= 1.26 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.36! K(o=-1.4!,f=-0.036) USER MOD Single : A 73 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.033) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.16) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.109 X(o=0.11,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 96 ASN : amide:sc= -2.06! C(o=-2.1!,f=-9.2!) USER MOD Single : A 105 SER OG : rot 79:sc= 1.19 USER MOD Single : A 111 CYS SG : rot 72:sc= -4.49! USER MOD Single : A 114 SER OG : rot 88:sc= -0.415 USER MOD Single : A 117 LYS NZ :NH3+ -173:sc= 0.778 (180deg=0.415) USER MOD Single : A 119 MET CE :methyl -157:sc= -5.38! (180deg=-6.1!) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl 169:sc= -4.67! (180deg=-5.13!) USER MOD Single : A 132 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 133 TYR OH : rot 66:sc= 0.523 USER MOD Single : A 135 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 GLN : amide:sc= 0.279 X(o=0.28,f=-0.12) USER MOD Single : A 145 ASN : amide:sc= 0.954 K(o=0.95,f=0) USER MOD Single : A 150 THR OG1 : rot -165:sc= 0.237 USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 ASN : amide:sc=-0.00755 X(o=-0.0076,f=0) USER MOD Single : A 163 SER OG : rot 74:sc= 0.142 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 GLN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Single : A 172 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 173 HIS : no HD1:sc=-0.00635 X(o=-0.0063,f=0) USER MOD Single : A 174 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 176 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=-0.0033) USER MOD Single : A 177 HIS : no HD1:sc= -0.455 K(o=-0.46,f=-1.3) USER MOD Single : A 180 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.014) USER MOD Single : A 181 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.18) USER MOD Single : A 182 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 183 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 184 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.34) USER MOD Single : A 185 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.313 2.584 16.185 1.00 3.19 N ATOM 2 CA MET A 1 8.224 1.662 15.803 1.00 2.85 C ATOM 3 C MET A 1 8.588 0.947 14.502 1.00 2.27 C ATOM 4 O MET A 1 7.716 0.599 13.706 1.00 2.72 O ATOM 5 CB MET A 1 6.925 2.454 15.630 1.00 3.07 C ATOM 6 CG MET A 1 5.668 1.626 15.832 1.00 3.85 C ATOM 7 SD MET A 1 5.568 0.927 17.492 1.00 4.63 S ATOM 8 CE MET A 1 3.909 0.247 17.481 1.00 5.45 C ATOM 0 H1 MET A 1 8.969 3.246 16.910 1.00 3.19 H new ATOM 0 H2 MET A 1 10.113 2.038 16.565 1.00 3.19 H new ATOM 0 H3 MET A 1 9.625 3.118 15.349 1.00 3.19 H new ATOM 0 HA MET A 1 8.083 0.916 16.585 1.00 2.85 H new ATOM 0 HB2 MET A 1 6.920 3.283 16.337 1.00 3.07 H new ATOM 0 HB3 MET A 1 6.906 2.888 14.630 1.00 3.07 H new ATOM 0 HG2 MET A 1 4.792 2.249 15.649 1.00 3.85 H new ATOM 0 HG3 MET A 1 5.645 0.820 15.099 1.00 3.85 H new ATOM 0 HE1 MET A 1 3.486 0.303 18.484 1.00 5.45 H new ATOM 0 HE2 MET A 1 3.286 0.818 16.793 1.00 5.45 H new ATOM 0 HE3 MET A 1 3.945 -0.794 17.159 1.00 5.45 H new ATOM 20 N SER A 2 9.886 0.693 14.323 1.00 1.75 N ATOM 21 CA SER A 2 10.427 0.204 13.057 1.00 1.66 C ATOM 22 C SER A 2 9.683 -1.024 12.532 1.00 1.36 C ATOM 23 O SER A 2 9.167 -1.005 11.415 1.00 1.24 O ATOM 24 CB SER A 2 11.916 -0.110 13.221 1.00 2.18 C ATOM 25 OG SER A 2 12.618 1.020 13.720 1.00 2.93 O ATOM 0 H SER A 2 10.589 0.821 15.051 1.00 1.75 H new ATOM 0 HA SER A 2 10.291 0.994 12.318 1.00 1.66 H new ATOM 0 HB2 SER A 2 12.042 -0.952 13.902 1.00 2.18 H new ATOM 0 HB3 SER A 2 12.337 -0.411 12.261 1.00 2.18 H new ATOM 0 HG SER A 2 13.567 0.798 13.819 1.00 2.93 H new ATOM 31 N GLN A 3 9.601 -2.077 13.338 1.00 1.37 N ATOM 32 CA GLN A 3 9.003 -3.323 12.874 1.00 1.24 C ATOM 33 C GLN A 3 7.502 -3.171 12.641 1.00 0.92 C ATOM 34 O GLN A 3 6.937 -3.845 11.785 1.00 0.86 O ATOM 35 CB GLN A 3 9.277 -4.478 13.846 1.00 1.49 C ATOM 36 CG GLN A 3 8.584 -4.346 15.195 1.00 1.69 C ATOM 37 CD GLN A 3 8.724 -5.602 16.037 1.00 2.43 C ATOM 38 OE1 GLN A 3 8.823 -6.708 15.505 1.00 3.10 O ATOM 39 NE2 GLN A 3 8.725 -5.443 17.354 1.00 2.97 N ATOM 0 H GLN A 3 9.936 -2.094 14.301 1.00 1.37 H new ATOM 0 HA GLN A 3 9.474 -3.563 11.921 1.00 1.24 H new ATOM 0 HB2 GLN A 3 8.961 -5.411 13.380 1.00 1.49 H new ATOM 0 HB3 GLN A 3 10.352 -4.551 14.010 1.00 1.49 H new ATOM 0 HG2 GLN A 3 9.005 -3.499 15.736 1.00 1.69 H new ATOM 0 HG3 GLN A 3 7.527 -4.131 15.039 1.00 1.69 H new ATOM 0 HE21 GLN A 3 8.641 -4.509 17.755 1.00 2.97 H new ATOM 0 HE22 GLN A 3 8.810 -6.255 17.966 1.00 2.97 H new ATOM 48 N SER A 4 6.864 -2.266 13.374 1.00 0.88 N ATOM 49 CA SER A 4 5.422 -2.086 13.252 1.00 0.77 C ATOM 50 C SER A 4 5.094 -1.220 12.039 1.00 0.62 C ATOM 51 O SER A 4 4.020 -1.336 11.445 1.00 0.64 O ATOM 52 CB SER A 4 4.841 -1.470 14.527 1.00 1.02 C ATOM 53 OG SER A 4 3.425 -1.561 14.540 1.00 1.34 O ATOM 0 H SER A 4 7.316 -1.652 14.052 1.00 0.88 H new ATOM 0 HA SER A 4 4.966 -3.066 13.111 1.00 0.77 H new ATOM 0 HB2 SER A 4 5.249 -1.980 15.399 1.00 1.02 H new ATOM 0 HB3 SER A 4 5.142 -0.425 14.599 1.00 1.02 H new ATOM 0 HG SER A 4 3.153 -2.469 14.289 1.00 1.34 H new ATOM 59 N ASN A 5 6.022 -0.349 11.669 1.00 0.59 N ATOM 60 CA ASN A 5 5.875 0.443 10.452 1.00 0.55 C ATOM 61 C ASN A 5 6.217 -0.426 9.255 1.00 0.43 C ATOM 62 O ASN A 5 5.639 -0.289 8.177 1.00 0.44 O ATOM 63 CB ASN A 5 6.781 1.684 10.492 1.00 0.65 C ATOM 64 CG ASN A 5 6.325 2.714 11.515 1.00 0.94 C ATOM 65 OD1 ASN A 5 5.663 2.387 12.499 1.00 1.71 O ATOM 66 ND2 ASN A 5 6.692 3.969 11.296 1.00 0.67 N ATOM 0 H ASN A 5 6.881 -0.172 12.190 1.00 0.59 H new ATOM 0 HA ASN A 5 4.845 0.789 10.372 1.00 0.55 H new ATOM 0 HB2 ASN A 5 7.801 1.376 10.723 1.00 0.65 H new ATOM 0 HB3 ASN A 5 6.803 2.144 9.504 1.00 0.65 H new ATOM 0 HD21 ASN A 5 6.425 4.701 11.955 1.00 0.67 H new ATOM 0 HD22 ASN A 5 7.241 4.203 10.469 1.00 0.67 H new ATOM 73 N ARG A 6 7.151 -1.345 9.471 1.00 0.41 N ATOM 74 CA ARG A 6 7.545 -2.307 8.455 1.00 0.41 C ATOM 75 C ARG A 6 6.417 -3.300 8.188 1.00 0.37 C ATOM 76 O ARG A 6 6.399 -3.959 7.153 1.00 0.38 O ATOM 77 CB ARG A 6 8.805 -3.056 8.901 1.00 0.54 C ATOM 78 CG ARG A 6 9.373 -3.988 7.843 1.00 0.65 C ATOM 79 CD ARG A 6 10.541 -4.798 8.379 1.00 0.83 C ATOM 80 NE ARG A 6 10.152 -5.626 9.520 1.00 1.50 N ATOM 81 CZ ARG A 6 11.016 -6.265 10.306 1.00 2.14 C ATOM 82 NH1 ARG A 6 12.322 -6.178 10.074 1.00 2.16 N ATOM 83 NH2 ARG A 6 10.571 -6.989 11.325 1.00 3.18 N ATOM 0 H ARG A 6 7.654 -1.442 10.353 1.00 0.41 H new ATOM 0 HA ARG A 6 7.757 -1.767 7.533 1.00 0.41 H new ATOM 0 HB2 ARG A 6 9.569 -2.330 9.179 1.00 0.54 H new ATOM 0 HB3 ARG A 6 8.575 -3.635 9.795 1.00 0.54 H new ATOM 0 HG2 ARG A 6 8.591 -4.663 7.494 1.00 0.65 H new ATOM 0 HG3 ARG A 6 9.699 -3.405 6.981 1.00 0.65 H new ATOM 0 HD2 ARG A 6 10.936 -5.434 7.587 1.00 0.83 H new ATOM 0 HD3 ARG A 6 11.344 -4.124 8.677 1.00 0.83 H new ATOM 0 HE ARG A 6 9.157 -5.720 9.726 1.00 1.50 H new ATOM 0 HH11 ARG A 6 12.665 -5.620 9.292 1.00 2.16 H new ATOM 0 HH12 ARG A 6 12.981 -6.669 10.678 1.00 2.16 H new ATOM 0 HH21 ARG A 6 9.569 -7.055 11.505 1.00 3.18 H new ATOM 0 HH22 ARG A 6 11.231 -7.480 11.929 1.00 3.18 H new ATOM 97 N GLU A 7 5.471 -3.399 9.121 1.00 0.36 N ATOM 98 CA GLU A 7 4.335 -4.304 8.964 1.00 0.37 C ATOM 99 C GLU A 7 3.530 -3.944 7.728 1.00 0.29 C ATOM 100 O GLU A 7 3.046 -4.819 7.017 1.00 0.29 O ATOM 101 CB GLU A 7 3.423 -4.264 10.188 1.00 0.46 C ATOM 102 CG GLU A 7 4.051 -4.831 11.447 1.00 0.60 C ATOM 103 CD GLU A 7 3.063 -4.911 12.587 1.00 1.39 C ATOM 104 OE1 GLU A 7 2.205 -5.819 12.559 1.00 1.58 O ATOM 105 OE2 GLU A 7 3.123 -4.062 13.501 1.00 2.00 O ATOM 0 H GLU A 7 5.469 -2.865 9.990 1.00 0.36 H new ATOM 0 HA GLU A 7 4.735 -5.312 8.855 1.00 0.37 H new ATOM 0 HB2 GLU A 7 3.129 -3.231 10.375 1.00 0.46 H new ATOM 0 HB3 GLU A 7 2.512 -4.820 9.967 1.00 0.46 H new ATOM 0 HG2 GLU A 7 4.445 -5.826 11.239 1.00 0.60 H new ATOM 0 HG3 GLU A 7 4.896 -4.209 11.743 1.00 0.60 H new ATOM 112 N LEU A 8 3.412 -2.650 7.469 1.00 0.27 N ATOM 113 CA LEU A 8 2.672 -2.163 6.313 1.00 0.28 C ATOM 114 C LEU A 8 3.361 -2.617 5.039 1.00 0.28 C ATOM 115 O LEU A 8 2.726 -2.886 4.023 1.00 0.39 O ATOM 116 CB LEU A 8 2.593 -0.636 6.356 1.00 0.31 C ATOM 117 CG LEU A 8 2.063 -0.065 7.668 1.00 0.33 C ATOM 118 CD1 LEU A 8 2.076 1.451 7.633 1.00 0.36 C ATOM 119 CD2 LEU A 8 0.665 -0.588 7.939 1.00 0.35 C ATOM 0 H LEU A 8 3.821 -1.915 8.046 1.00 0.27 H new ATOM 0 HA LEU A 8 1.660 -2.568 6.332 1.00 0.28 H new ATOM 0 HB2 LEU A 8 3.587 -0.228 6.173 1.00 0.31 H new ATOM 0 HB3 LEU A 8 1.954 -0.295 5.542 1.00 0.31 H new ATOM 0 HG LEU A 8 2.715 -0.388 8.480 1.00 0.33 H new ATOM 0 HD11 LEU A 8 1.695 1.840 8.577 1.00 0.36 H new ATOM 0 HD12 LEU A 8 3.096 1.803 7.481 1.00 0.36 H new ATOM 0 HD13 LEU A 8 1.446 1.801 6.815 1.00 0.36 H new ATOM 0 HD21 LEU A 8 0.297 -0.174 8.878 1.00 0.35 H new ATOM 0 HD22 LEU A 8 0.002 -0.291 7.127 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.690 -1.676 8.008 1.00 0.35 H new ATOM 131 N VAL A 9 4.675 -2.705 5.126 1.00 0.26 N ATOM 132 CA VAL A 9 5.493 -3.206 4.045 1.00 0.28 C ATOM 133 C VAL A 9 5.334 -4.720 3.933 1.00 0.29 C ATOM 134 O VAL A 9 4.849 -5.227 2.927 1.00 0.31 O ATOM 135 CB VAL A 9 6.971 -2.858 4.300 1.00 0.32 C ATOM 136 CG1 VAL A 9 7.858 -3.417 3.205 1.00 0.38 C ATOM 137 CG2 VAL A 9 7.151 -1.354 4.424 1.00 0.31 C ATOM 0 H VAL A 9 5.204 -2.429 5.953 1.00 0.26 H new ATOM 0 HA VAL A 9 5.172 -2.741 3.113 1.00 0.28 H new ATOM 0 HB VAL A 9 7.270 -3.319 5.241 1.00 0.32 H new ATOM 0 HG11 VAL A 9 8.897 -3.157 3.410 1.00 0.38 H new ATOM 0 HG12 VAL A 9 7.755 -4.502 3.172 1.00 0.38 H new ATOM 0 HG13 VAL A 9 7.561 -2.995 2.245 1.00 0.38 H new ATOM 0 HG21 VAL A 9 8.202 -1.127 4.604 1.00 0.31 H new ATOM 0 HG22 VAL A 9 6.828 -0.872 3.501 1.00 0.31 H new ATOM 0 HG23 VAL A 9 6.552 -0.983 5.256 1.00 0.31 H new ATOM 147 N VAL A 10 5.726 -5.421 4.992 1.00 0.30 N ATOM 148 CA VAL A 10 5.721 -6.880 5.025 1.00 0.32 C ATOM 149 C VAL A 10 4.359 -7.459 4.657 1.00 0.35 C ATOM 150 O VAL A 10 4.271 -8.339 3.804 1.00 0.36 O ATOM 151 CB VAL A 10 6.132 -7.394 6.416 1.00 0.37 C ATOM 152 CG1 VAL A 10 5.947 -8.898 6.519 1.00 0.42 C ATOM 153 CG2 VAL A 10 7.574 -7.016 6.711 1.00 0.38 C ATOM 0 H VAL A 10 6.058 -4.991 5.856 1.00 0.30 H new ATOM 0 HA VAL A 10 6.445 -7.213 4.281 1.00 0.32 H new ATOM 0 HB VAL A 10 5.486 -6.924 7.157 1.00 0.37 H new ATOM 0 HG11 VAL A 10 6.245 -9.234 7.512 1.00 0.42 H new ATOM 0 HG12 VAL A 10 4.900 -9.148 6.350 1.00 0.42 H new ATOM 0 HG13 VAL A 10 6.563 -9.393 5.768 1.00 0.42 H new ATOM 0 HG21 VAL A 10 7.852 -7.385 7.698 1.00 0.38 H new ATOM 0 HG22 VAL A 10 8.227 -7.460 5.960 1.00 0.38 H new ATOM 0 HG23 VAL A 10 7.678 -5.931 6.687 1.00 0.38 H new ATOM 163 N ASP A 11 3.306 -6.963 5.294 1.00 0.39 N ATOM 164 CA ASP A 11 1.962 -7.497 5.075 1.00 0.46 C ATOM 165 C ASP A 11 1.552 -7.312 3.614 1.00 0.44 C ATOM 166 O ASP A 11 0.835 -8.140 3.046 1.00 0.50 O ATOM 167 CB ASP A 11 0.950 -6.811 6.005 1.00 0.55 C ATOM 168 CG ASP A 11 -0.309 -7.634 6.217 1.00 0.71 C ATOM 169 OD1 ASP A 11 -1.208 -7.589 5.355 1.00 0.84 O ATOM 170 OD2 ASP A 11 -0.410 -8.316 7.266 1.00 0.92 O ATOM 0 H ASP A 11 3.353 -6.195 5.964 1.00 0.39 H new ATOM 0 HA ASP A 11 1.971 -8.563 5.304 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.421 -6.621 6.970 1.00 0.55 H new ATOM 0 HB3 ASP A 11 0.678 -5.842 5.587 1.00 0.55 H new ATOM 175 N PHE A 12 2.041 -6.240 2.998 1.00 0.41 N ATOM 176 CA PHE A 12 1.747 -5.964 1.596 1.00 0.42 C ATOM 177 C PHE A 12 2.599 -6.860 0.696 1.00 0.37 C ATOM 178 O PHE A 12 2.099 -7.435 -0.274 1.00 0.41 O ATOM 179 CB PHE A 12 1.998 -4.482 1.263 1.00 0.44 C ATOM 180 CG PHE A 12 1.448 -4.058 -0.075 1.00 0.48 C ATOM 181 CD1 PHE A 12 2.155 -4.314 -1.241 1.00 0.46 C ATOM 182 CD2 PHE A 12 0.227 -3.405 -0.168 1.00 0.62 C ATOM 183 CE1 PHE A 12 1.655 -3.927 -2.470 1.00 0.51 C ATOM 184 CE2 PHE A 12 -0.275 -3.016 -1.396 1.00 0.68 C ATOM 185 CZ PHE A 12 0.424 -3.277 -2.540 1.00 0.60 C ATOM 0 H PHE A 12 2.642 -5.549 3.447 1.00 0.41 H new ATOM 0 HA PHE A 12 0.693 -6.178 1.417 1.00 0.42 H new ATOM 0 HB2 PHE A 12 1.551 -3.864 2.042 1.00 0.44 H new ATOM 0 HB3 PHE A 12 3.071 -4.292 1.281 1.00 0.44 H new ATOM 0 HD1 PHE A 12 3.107 -4.821 -1.188 1.00 0.46 H new ATOM 0 HD2 PHE A 12 -0.338 -3.198 0.729 1.00 0.62 H new ATOM 0 HE1 PHE A 12 2.215 -4.127 -3.371 1.00 0.51 H new ATOM 0 HE2 PHE A 12 -1.224 -2.503 -1.451 1.00 0.68 H new ATOM 0 HZ PHE A 12 0.023 -2.980 -3.498 1.00 0.60 H new ATOM 195 N LEU A 13 3.884 -6.986 1.027 1.00 0.33 N ATOM 196 CA LEU A 13 4.792 -7.830 0.256 1.00 0.32 C ATOM 197 C LEU A 13 4.320 -9.276 0.308 1.00 0.33 C ATOM 198 O LEU A 13 4.280 -9.972 -0.709 1.00 0.35 O ATOM 199 CB LEU A 13 6.224 -7.732 0.801 1.00 0.32 C ATOM 200 CG LEU A 13 6.765 -6.311 0.982 1.00 0.34 C ATOM 201 CD1 LEU A 13 8.238 -6.344 1.353 1.00 0.40 C ATOM 202 CD2 LEU A 13 6.550 -5.481 -0.272 1.00 0.38 C ATOM 0 H LEU A 13 4.317 -6.515 1.822 1.00 0.33 H new ATOM 0 HA LEU A 13 4.791 -7.483 -0.777 1.00 0.32 H new ATOM 0 HB2 LEU A 13 6.264 -8.242 1.763 1.00 0.32 H new ATOM 0 HB3 LEU A 13 6.889 -8.272 0.126 1.00 0.32 H new ATOM 0 HG LEU A 13 6.213 -5.842 1.796 1.00 0.34 H new ATOM 0 HD11 LEU A 13 8.605 -5.325 1.477 1.00 0.40 H new ATOM 0 HD12 LEU A 13 8.366 -6.892 2.286 1.00 0.40 H new ATOM 0 HD13 LEU A 13 8.802 -6.838 0.562 1.00 0.40 H new ATOM 0 HD21 LEU A 13 6.944 -4.477 -0.115 1.00 0.38 H new ATOM 0 HD22 LEU A 13 7.068 -5.947 -1.110 1.00 0.38 H new ATOM 0 HD23 LEU A 13 5.484 -5.423 -0.491 1.00 0.38 H new ATOM 214 N SER A 14 3.935 -9.703 1.504 1.00 0.34 N ATOM 215 CA SER A 14 3.418 -11.044 1.727 1.00 0.38 C ATOM 216 C SER A 14 2.155 -11.276 0.903 1.00 0.39 C ATOM 217 O SER A 14 1.939 -12.368 0.382 1.00 0.41 O ATOM 218 CB SER A 14 3.135 -11.246 3.224 1.00 0.45 C ATOM 219 OG SER A 14 2.543 -12.508 3.486 1.00 1.14 O ATOM 0 H SER A 14 3.973 -9.128 2.346 1.00 0.34 H new ATOM 0 HA SER A 14 4.165 -11.771 1.408 1.00 0.38 H new ATOM 0 HB2 SER A 14 4.066 -11.159 3.784 1.00 0.45 H new ATOM 0 HB3 SER A 14 2.474 -10.455 3.578 1.00 0.45 H new ATOM 0 HG SER A 14 2.380 -12.599 4.448 1.00 1.14 H new ATOM 225 N TYR A 15 1.341 -10.233 0.760 1.00 0.42 N ATOM 226 CA TYR A 15 0.098 -10.322 0.000 1.00 0.47 C ATOM 227 C TYR A 15 0.381 -10.622 -1.469 1.00 0.45 C ATOM 228 O TYR A 15 -0.276 -11.471 -2.078 1.00 0.52 O ATOM 229 CB TYR A 15 -0.705 -9.019 0.131 1.00 0.55 C ATOM 230 CG TYR A 15 -1.907 -8.936 -0.787 1.00 0.66 C ATOM 231 CD1 TYR A 15 -3.076 -9.632 -0.504 1.00 0.79 C ATOM 232 CD2 TYR A 15 -1.871 -8.156 -1.937 1.00 0.78 C ATOM 233 CE1 TYR A 15 -4.172 -9.556 -1.343 1.00 0.96 C ATOM 234 CE2 TYR A 15 -2.963 -8.074 -2.779 1.00 0.94 C ATOM 235 CZ TYR A 15 -4.110 -8.776 -2.479 1.00 1.02 C ATOM 236 OH TYR A 15 -5.200 -8.696 -3.318 1.00 1.20 O ATOM 0 H TYR A 15 1.521 -9.313 1.162 1.00 0.42 H new ATOM 0 HA TYR A 15 -0.493 -11.141 0.410 1.00 0.47 H new ATOM 0 HB2 TYR A 15 -1.042 -8.915 1.162 1.00 0.55 H new ATOM 0 HB3 TYR A 15 -0.045 -8.176 -0.076 1.00 0.55 H new ATOM 0 HD1 TYR A 15 -3.129 -10.242 0.386 1.00 0.79 H new ATOM 0 HD2 TYR A 15 -0.974 -7.605 -2.176 1.00 0.78 H new ATOM 0 HE1 TYR A 15 -5.073 -10.105 -1.110 1.00 0.96 H new ATOM 0 HE2 TYR A 15 -2.918 -7.463 -3.668 1.00 0.94 H new ATOM 0 HH TYR A 15 -4.991 -8.104 -4.071 1.00 1.20 H new ATOM 246 N LYS A 16 1.373 -9.941 -2.028 1.00 0.40 N ATOM 247 CA LYS A 16 1.694 -10.100 -3.437 1.00 0.41 C ATOM 248 C LYS A 16 2.408 -11.427 -3.678 1.00 0.35 C ATOM 249 O LYS A 16 2.127 -12.121 -4.656 1.00 0.39 O ATOM 250 CB LYS A 16 2.549 -8.925 -3.929 1.00 0.49 C ATOM 251 CG LYS A 16 2.767 -8.910 -5.439 1.00 0.90 C ATOM 252 CD LYS A 16 1.444 -8.936 -6.191 1.00 0.83 C ATOM 253 CE LYS A 16 1.641 -8.820 -7.695 1.00 1.35 C ATOM 254 NZ LYS A 16 2.130 -7.473 -8.092 1.00 1.39 N ATOM 0 H LYS A 16 1.965 -9.277 -1.529 1.00 0.40 H new ATOM 0 HA LYS A 16 0.763 -10.107 -4.005 1.00 0.41 H new ATOM 0 HB2 LYS A 16 2.072 -7.991 -3.631 1.00 0.49 H new ATOM 0 HB3 LYS A 16 3.518 -8.960 -3.432 1.00 0.49 H new ATOM 0 HG2 LYS A 16 3.329 -8.019 -5.718 1.00 0.90 H new ATOM 0 HG3 LYS A 16 3.370 -9.770 -5.730 1.00 0.90 H new ATOM 0 HD2 LYS A 16 0.917 -9.863 -5.965 1.00 0.83 H new ATOM 0 HD3 LYS A 16 0.813 -8.118 -5.844 1.00 0.83 H new ATOM 0 HE2 LYS A 16 2.353 -9.576 -8.026 1.00 1.35 H new ATOM 0 HE3 LYS A 16 0.698 -9.027 -8.201 1.00 1.35 H new ATOM 0 HZ1 LYS A 16 2.090 -7.380 -9.127 1.00 1.39 H new ATOM 0 HZ2 LYS A 16 1.531 -6.744 -7.655 1.00 1.39 H new ATOM 0 HZ3 LYS A 16 3.112 -7.352 -7.772 1.00 1.39 H new ATOM 268 N LEU A 17 3.321 -11.779 -2.779 1.00 0.30 N ATOM 269 CA LEU A 17 4.046 -13.037 -2.875 1.00 0.27 C ATOM 270 C LEU A 17 3.103 -14.233 -2.771 1.00 0.31 C ATOM 271 O LEU A 17 3.196 -15.171 -3.562 1.00 0.32 O ATOM 272 CB LEU A 17 5.117 -13.113 -1.785 1.00 0.25 C ATOM 273 CG LEU A 17 6.295 -12.167 -1.983 1.00 0.24 C ATOM 274 CD1 LEU A 17 7.162 -12.137 -0.738 1.00 0.29 C ATOM 275 CD2 LEU A 17 7.114 -12.595 -3.188 1.00 0.25 C ATOM 0 H LEU A 17 3.576 -11.207 -1.974 1.00 0.30 H new ATOM 0 HA LEU A 17 4.526 -13.073 -3.853 1.00 0.27 H new ATOM 0 HB2 LEU A 17 4.653 -12.897 -0.823 1.00 0.25 H new ATOM 0 HB3 LEU A 17 5.493 -14.135 -1.735 1.00 0.25 H new ATOM 0 HG LEU A 17 5.911 -11.163 -2.161 1.00 0.24 H new ATOM 0 HD11 LEU A 17 8.000 -11.457 -0.894 1.00 0.29 H new ATOM 0 HD12 LEU A 17 6.569 -11.794 0.110 1.00 0.29 H new ATOM 0 HD13 LEU A 17 7.541 -13.139 -0.534 1.00 0.29 H new ATOM 0 HD21 LEU A 17 7.953 -11.911 -3.319 1.00 0.25 H new ATOM 0 HD22 LEU A 17 7.491 -13.606 -3.031 1.00 0.25 H new ATOM 0 HD23 LEU A 17 6.487 -12.575 -4.080 1.00 0.25 H new ATOM 287 N SER A 18 2.183 -14.188 -1.810 1.00 0.37 N ATOM 288 CA SER A 18 1.242 -15.286 -1.609 1.00 0.44 C ATOM 289 C SER A 18 0.288 -15.401 -2.792 1.00 0.47 C ATOM 290 O SER A 18 -0.214 -16.482 -3.098 1.00 0.51 O ATOM 291 CB SER A 18 0.462 -15.086 -0.308 1.00 0.54 C ATOM 292 OG SER A 18 -0.180 -13.822 -0.283 1.00 1.26 O ATOM 0 H SER A 18 2.070 -13.408 -1.162 1.00 0.37 H new ATOM 0 HA SER A 18 1.807 -16.215 -1.536 1.00 0.44 H new ATOM 0 HB2 SER A 18 -0.281 -15.876 -0.202 1.00 0.54 H new ATOM 0 HB3 SER A 18 1.140 -15.169 0.542 1.00 0.54 H new ATOM 0 HG SER A 18 0.467 -13.131 -0.029 1.00 1.26 H new ATOM 298 N GLN A 19 0.049 -14.278 -3.460 1.00 0.48 N ATOM 299 CA GLN A 19 -0.794 -14.259 -4.647 1.00 0.53 C ATOM 300 C GLN A 19 -0.040 -14.887 -5.818 1.00 0.48 C ATOM 301 O GLN A 19 -0.633 -15.384 -6.772 1.00 0.55 O ATOM 302 CB GLN A 19 -1.220 -12.814 -4.955 1.00 0.59 C ATOM 303 CG GLN A 19 -2.289 -12.680 -6.034 1.00 0.71 C ATOM 304 CD GLN A 19 -1.723 -12.603 -7.439 1.00 1.06 C ATOM 305 OE1 GLN A 19 -2.341 -13.071 -8.394 1.00 1.72 O ATOM 306 NE2 GLN A 19 -0.559 -11.988 -7.582 1.00 1.65 N ATOM 0 H GLN A 19 0.428 -13.368 -3.198 1.00 0.48 H new ATOM 0 HA GLN A 19 -1.697 -14.844 -4.475 1.00 0.53 H new ATOM 0 HB2 GLN A 19 -1.590 -12.356 -4.038 1.00 0.59 H new ATOM 0 HB3 GLN A 19 -0.340 -12.248 -5.262 1.00 0.59 H new ATOM 0 HG2 GLN A 19 -2.967 -13.531 -5.970 1.00 0.71 H new ATOM 0 HG3 GLN A 19 -2.880 -11.785 -5.839 1.00 0.71 H new ATOM 0 HE21 GLN A 19 -0.077 -11.613 -6.765 1.00 1.65 H new ATOM 0 HE22 GLN A 19 -0.145 -11.889 -8.509 1.00 1.65 H new ATOM 315 N LYS A 20 1.282 -14.870 -5.720 1.00 0.41 N ATOM 316 CA LYS A 20 2.139 -15.511 -6.707 1.00 0.40 C ATOM 317 C LYS A 20 2.394 -16.970 -6.335 1.00 0.44 C ATOM 318 O LYS A 20 3.089 -17.691 -7.053 1.00 0.48 O ATOM 319 CB LYS A 20 3.464 -14.756 -6.820 1.00 0.36 C ATOM 320 CG LYS A 20 3.329 -13.375 -7.441 1.00 0.68 C ATOM 321 CD LYS A 20 3.136 -13.462 -8.947 1.00 0.61 C ATOM 322 CE LYS A 20 2.863 -12.100 -9.567 1.00 1.06 C ATOM 323 NZ LYS A 20 2.745 -12.186 -11.045 1.00 1.87 N ATOM 0 H LYS A 20 1.788 -14.415 -4.960 1.00 0.41 H new ATOM 0 HA LYS A 20 1.633 -15.487 -7.672 1.00 0.40 H new ATOM 0 HB2 LYS A 20 3.901 -14.657 -5.827 1.00 0.36 H new ATOM 0 HB3 LYS A 20 4.159 -15.347 -7.417 1.00 0.36 H new ATOM 0 HG2 LYS A 20 2.483 -12.854 -6.993 1.00 0.68 H new ATOM 0 HG3 LYS A 20 4.219 -12.786 -7.220 1.00 0.68 H new ATOM 0 HD2 LYS A 20 4.027 -13.895 -9.402 1.00 0.61 H new ATOM 0 HD3 LYS A 20 2.306 -14.134 -9.168 1.00 0.61 H new ATOM 0 HE2 LYS A 20 1.943 -11.688 -9.151 1.00 1.06 H new ATOM 0 HE3 LYS A 20 3.667 -11.412 -9.305 1.00 1.06 H new ATOM 0 HZ1 LYS A 20 2.559 -11.240 -11.434 1.00 1.87 H new ATOM 0 HZ2 LYS A 20 3.632 -12.556 -11.443 1.00 1.87 H new ATOM 0 HZ3 LYS A 20 1.961 -12.823 -11.294 1.00 1.87 H new ATOM 337 N GLY A 21 1.833 -17.395 -5.209 1.00 0.48 N ATOM 338 CA GLY A 21 1.963 -18.778 -4.788 1.00 0.54 C ATOM 339 C GLY A 21 3.041 -18.996 -3.738 1.00 0.53 C ATOM 340 O GLY A 21 3.182 -20.102 -3.219 1.00 0.67 O ATOM 0 H GLY A 21 1.289 -16.806 -4.579 1.00 0.48 H new ATOM 0 HA2 GLY A 21 1.007 -19.120 -4.391 1.00 0.54 H new ATOM 0 HA3 GLY A 21 2.186 -19.395 -5.659 1.00 0.54 H new ATOM 344 N TYR A 22 3.798 -17.957 -3.408 1.00 0.43 N ATOM 345 CA TYR A 22 4.892 -18.103 -2.451 1.00 0.42 C ATOM 346 C TYR A 22 4.453 -17.671 -1.057 1.00 0.43 C ATOM 347 O TYR A 22 3.738 -16.686 -0.900 1.00 0.46 O ATOM 348 CB TYR A 22 6.116 -17.289 -2.887 1.00 0.40 C ATOM 349 CG TYR A 22 6.614 -17.640 -4.271 1.00 0.48 C ATOM 350 CD1 TYR A 22 6.924 -18.952 -4.615 1.00 0.65 C ATOM 351 CD2 TYR A 22 6.758 -16.659 -5.241 1.00 0.47 C ATOM 352 CE1 TYR A 22 7.366 -19.270 -5.885 1.00 0.75 C ATOM 353 CE2 TYR A 22 7.196 -16.968 -6.512 1.00 0.57 C ATOM 354 CZ TYR A 22 7.498 -18.274 -6.828 1.00 0.69 C ATOM 355 OH TYR A 22 7.935 -18.586 -8.094 1.00 0.81 O ATOM 0 H TYR A 22 3.679 -17.015 -3.782 1.00 0.43 H new ATOM 0 HA TYR A 22 5.167 -19.157 -2.422 1.00 0.42 H new ATOM 0 HB2 TYR A 22 5.866 -16.228 -2.858 1.00 0.40 H new ATOM 0 HB3 TYR A 22 6.921 -17.446 -2.169 1.00 0.40 H new ATOM 0 HD1 TYR A 22 6.818 -19.734 -3.878 1.00 0.65 H new ATOM 0 HD2 TYR A 22 6.523 -15.634 -4.996 1.00 0.47 H new ATOM 0 HE1 TYR A 22 7.606 -20.292 -6.137 1.00 0.75 H new ATOM 0 HE2 TYR A 22 7.301 -16.191 -7.254 1.00 0.57 H new ATOM 0 HH TYR A 22 7.972 -17.771 -8.637 1.00 0.81 H new ATOM 365 N SER A 23 4.879 -18.412 -0.052 1.00 0.45 N ATOM 366 CA SER A 23 4.521 -18.116 1.319 1.00 0.49 C ATOM 367 C SER A 23 5.642 -17.342 2.009 1.00 0.43 C ATOM 368 O SER A 23 6.816 -17.714 1.919 1.00 0.44 O ATOM 369 CB SER A 23 4.209 -19.418 2.065 1.00 0.59 C ATOM 370 OG SER A 23 5.222 -20.388 1.848 1.00 1.41 O ATOM 0 H SER A 23 5.478 -19.230 -0.163 1.00 0.45 H new ATOM 0 HA SER A 23 3.629 -17.489 1.329 1.00 0.49 H new ATOM 0 HB2 SER A 23 4.118 -19.216 3.132 1.00 0.59 H new ATOM 0 HB3 SER A 23 3.248 -19.810 1.731 1.00 0.59 H new ATOM 0 HG SER A 23 5.000 -21.208 2.336 1.00 1.41 H new ATOM 376 N TRP A 24 5.272 -16.271 2.702 1.00 0.43 N ATOM 377 CA TRP A 24 6.243 -15.401 3.360 1.00 0.41 C ATOM 378 C TRP A 24 6.954 -16.138 4.497 1.00 0.47 C ATOM 379 O TRP A 24 8.090 -15.813 4.843 1.00 0.53 O ATOM 380 CB TRP A 24 5.540 -14.134 3.882 1.00 0.44 C ATOM 381 CG TRP A 24 6.430 -13.223 4.676 1.00 0.46 C ATOM 382 CD1 TRP A 24 6.485 -13.124 6.039 1.00 0.55 C ATOM 383 CD2 TRP A 24 7.383 -12.282 4.166 1.00 0.43 C ATOM 384 NE1 TRP A 24 7.417 -12.187 6.404 1.00 0.57 N ATOM 385 CE2 TRP A 24 7.982 -11.654 5.276 1.00 0.50 C ATOM 386 CE3 TRP A 24 7.794 -11.909 2.881 1.00 0.39 C ATOM 387 CZ2 TRP A 24 8.966 -10.679 5.140 1.00 0.51 C ATOM 388 CZ3 TRP A 24 8.770 -10.939 2.748 1.00 0.43 C ATOM 389 CH2 TRP A 24 9.346 -10.333 3.872 1.00 0.48 C ATOM 0 H TRP A 24 4.301 -15.982 2.824 1.00 0.43 H new ATOM 0 HA TRP A 24 7.000 -15.107 2.632 1.00 0.41 H new ATOM 0 HB2 TRP A 24 5.135 -13.581 3.035 1.00 0.44 H new ATOM 0 HB3 TRP A 24 4.694 -14.430 4.503 1.00 0.44 H new ATOM 0 HD1 TRP A 24 5.883 -13.699 6.727 1.00 0.55 H new ATOM 0 HE1 TRP A 24 7.652 -11.928 7.362 1.00 0.57 H new ATOM 0 HE3 TRP A 24 7.356 -12.371 2.008 1.00 0.39 H new ATOM 0 HZ2 TRP A 24 9.414 -10.212 6.005 1.00 0.51 H new ATOM 0 HZ3 TRP A 24 9.094 -10.643 1.761 1.00 0.43 H new ATOM 0 HH2 TRP A 24 10.105 -9.577 3.735 1.00 0.48 H new ATOM 400 N SER A 25 6.294 -17.151 5.050 1.00 0.54 N ATOM 401 CA SER A 25 6.856 -17.928 6.150 1.00 0.63 C ATOM 402 C SER A 25 8.163 -18.614 5.739 1.00 0.63 C ATOM 403 O SER A 25 9.009 -18.906 6.582 1.00 0.75 O ATOM 404 CB SER A 25 5.842 -18.970 6.636 1.00 0.75 C ATOM 405 OG SER A 25 6.295 -19.622 7.809 1.00 1.20 O ATOM 0 H SER A 25 5.366 -17.454 4.753 1.00 0.54 H new ATOM 0 HA SER A 25 7.080 -17.240 6.965 1.00 0.63 H new ATOM 0 HB2 SER A 25 4.886 -18.485 6.833 1.00 0.75 H new ATOM 0 HB3 SER A 25 5.670 -19.707 5.851 1.00 0.75 H new ATOM 0 HG SER A 25 5.628 -20.279 8.096 1.00 1.20 H new ATOM 411 N GLN A 26 8.339 -18.852 4.441 1.00 0.61 N ATOM 412 CA GLN A 26 9.550 -19.497 3.949 1.00 0.73 C ATOM 413 C GLN A 26 10.689 -18.489 3.808 1.00 0.79 C ATOM 414 O GLN A 26 11.854 -18.870 3.688 1.00 0.93 O ATOM 415 CB GLN A 26 9.295 -20.180 2.599 1.00 0.80 C ATOM 416 CG GLN A 26 8.223 -21.262 2.641 1.00 1.25 C ATOM 417 CD GLN A 26 8.489 -22.327 3.693 1.00 1.53 C ATOM 418 OE1 GLN A 26 9.638 -22.626 4.026 1.00 1.91 O ATOM 419 NE2 GLN A 26 7.424 -22.913 4.216 1.00 2.26 N ATOM 0 H GLN A 26 7.663 -18.609 3.717 1.00 0.61 H new ATOM 0 HA GLN A 26 9.839 -20.253 4.679 1.00 0.73 H new ATOM 0 HB2 GLN A 26 9.004 -19.423 1.871 1.00 0.80 H new ATOM 0 HB3 GLN A 26 10.227 -20.621 2.245 1.00 0.80 H new ATOM 0 HG2 GLN A 26 7.256 -20.799 2.838 1.00 1.25 H new ATOM 0 HG3 GLN A 26 8.156 -21.736 1.662 1.00 1.25 H new ATOM 0 HE21 GLN A 26 6.490 -22.637 3.913 1.00 2.26 H new ATOM 0 HE22 GLN A 26 7.537 -23.641 4.922 1.00 2.26 H new ATOM 428 N PHE A 27 10.357 -17.205 3.833 1.00 0.76 N ATOM 429 CA PHE A 27 11.363 -16.160 3.664 1.00 0.92 C ATOM 430 C PHE A 27 11.628 -15.445 4.984 1.00 0.98 C ATOM 431 O PHE A 27 12.574 -14.669 5.100 1.00 1.18 O ATOM 432 CB PHE A 27 10.925 -15.157 2.589 1.00 0.99 C ATOM 433 CG PHE A 27 10.558 -15.814 1.286 1.00 0.97 C ATOM 434 CD1 PHE A 27 11.510 -16.499 0.549 1.00 1.07 C ATOM 435 CD2 PHE A 27 9.266 -15.733 0.792 1.00 0.93 C ATOM 436 CE1 PHE A 27 11.182 -17.090 -0.655 1.00 1.13 C ATOM 437 CE2 PHE A 27 8.930 -16.323 -0.411 1.00 0.96 C ATOM 438 CZ PHE A 27 9.869 -17.053 -1.104 1.00 1.05 C ATOM 0 H PHE A 27 9.406 -16.862 3.968 1.00 0.76 H new ATOM 0 HA PHE A 27 12.290 -16.632 3.339 1.00 0.92 H new ATOM 0 HB2 PHE A 27 10.070 -14.589 2.957 1.00 0.99 H new ATOM 0 HB3 PHE A 27 11.731 -14.444 2.416 1.00 0.99 H new ATOM 0 HD1 PHE A 27 12.521 -16.572 0.921 1.00 1.07 H new ATOM 0 HD2 PHE A 27 8.512 -15.202 1.354 1.00 0.93 H new ATOM 0 HE1 PHE A 27 11.943 -17.579 -1.245 1.00 1.13 H new ATOM 0 HE2 PHE A 27 7.932 -16.212 -0.807 1.00 0.96 H new ATOM 0 HZ PHE A 27 9.585 -17.595 -1.994 1.00 1.05 H new ATOM 448 N SER A 28 10.792 -15.717 5.975 1.00 0.93 N ATOM 449 CA SER A 28 10.970 -15.145 7.301 1.00 1.07 C ATOM 450 C SER A 28 11.618 -16.177 8.218 1.00 1.04 C ATOM 451 O SER A 28 11.491 -17.381 7.988 1.00 1.02 O ATOM 452 CB SER A 28 9.616 -14.693 7.878 1.00 1.21 C ATOM 453 OG SER A 28 9.771 -14.041 9.131 1.00 1.73 O ATOM 0 H SER A 28 9.983 -16.331 5.886 1.00 0.93 H new ATOM 0 HA SER A 28 11.619 -14.272 7.228 1.00 1.07 H new ATOM 0 HB2 SER A 28 9.127 -14.019 7.175 1.00 1.21 H new ATOM 0 HB3 SER A 28 8.963 -15.558 7.996 1.00 1.21 H new ATOM 0 HG SER A 28 8.893 -13.766 9.468 1.00 1.73 H new ATOM 459 N ASP A 29 12.327 -15.715 9.240 1.00 1.25 N ATOM 460 CA ASP A 29 12.906 -16.619 10.221 1.00 1.33 C ATOM 461 C ASP A 29 11.871 -16.938 11.288 1.00 1.40 C ATOM 462 O ASP A 29 11.615 -16.126 12.177 1.00 1.62 O ATOM 463 CB ASP A 29 14.160 -16.017 10.860 1.00 1.63 C ATOM 464 CG ASP A 29 15.292 -15.832 9.870 1.00 1.96 C ATOM 465 OD1 ASP A 29 15.837 -16.847 9.386 1.00 2.43 O ATOM 466 OD2 ASP A 29 15.643 -14.674 9.571 1.00 2.16 O ATOM 0 H ASP A 29 12.513 -14.727 9.409 1.00 1.25 H new ATOM 0 HA ASP A 29 13.202 -17.537 9.714 1.00 1.33 H new ATOM 0 HB2 ASP A 29 13.910 -15.053 11.303 1.00 1.63 H new ATOM 0 HB3 ASP A 29 14.495 -16.663 11.671 1.00 1.63 H new ATOM 471 N VAL A 30 11.270 -18.116 11.181 1.00 1.40 N ATOM 472 CA VAL A 30 10.175 -18.516 12.057 1.00 1.63 C ATOM 473 C VAL A 30 10.616 -18.566 13.519 1.00 1.66 C ATOM 474 O VAL A 30 10.215 -17.727 14.325 1.00 1.79 O ATOM 475 CB VAL A 30 9.622 -19.895 11.638 1.00 1.89 C ATOM 476 CG1 VAL A 30 8.452 -20.306 12.519 1.00 2.24 C ATOM 477 CG2 VAL A 30 9.208 -19.882 10.174 1.00 1.95 C ATOM 0 H VAL A 30 11.526 -18.819 10.488 1.00 1.40 H new ATOM 0 HA VAL A 30 9.390 -17.766 11.959 1.00 1.63 H new ATOM 0 HB VAL A 30 10.417 -20.630 11.768 1.00 1.89 H new ATOM 0 HG11 VAL A 30 8.082 -21.281 12.201 1.00 2.24 H new ATOM 0 HG12 VAL A 30 8.780 -20.363 13.557 1.00 2.24 H new ATOM 0 HG13 VAL A 30 7.654 -19.569 12.431 1.00 2.24 H new ATOM 0 HG21 VAL A 30 8.821 -20.862 9.897 1.00 1.95 H new ATOM 0 HG22 VAL A 30 8.434 -19.130 10.021 1.00 1.95 H new ATOM 0 HG23 VAL A 30 10.072 -19.645 9.554 1.00 1.95 H new ATOM 487 N GLU A 31 11.440 -19.546 13.856 1.00 1.67 N ATOM 488 CA GLU A 31 11.892 -19.715 15.231 1.00 1.83 C ATOM 489 C GLU A 31 13.135 -18.876 15.500 1.00 1.78 C ATOM 490 O GLU A 31 13.379 -18.458 16.631 1.00 1.99 O ATOM 491 CB GLU A 31 12.193 -21.185 15.518 1.00 2.07 C ATOM 492 CG GLU A 31 11.003 -22.110 15.326 1.00 2.55 C ATOM 493 CD GLU A 31 11.350 -23.556 15.610 1.00 2.93 C ATOM 494 OE1 GLU A 31 11.831 -24.250 14.688 1.00 3.42 O ATOM 495 OE2 GLU A 31 11.132 -24.007 16.752 1.00 3.27 O ATOM 0 H GLU A 31 11.809 -20.235 13.200 1.00 1.67 H new ATOM 0 HA GLU A 31 11.092 -19.378 15.890 1.00 1.83 H new ATOM 0 HB2 GLU A 31 13.003 -21.513 14.867 1.00 2.07 H new ATOM 0 HB3 GLU A 31 12.551 -21.278 16.543 1.00 2.07 H new ATOM 0 HG2 GLU A 31 10.192 -21.797 15.984 1.00 2.55 H new ATOM 0 HG3 GLU A 31 10.637 -22.020 14.303 1.00 2.55 H new ATOM 502 N GLU A 32 13.906 -18.624 14.449 1.00 1.61 N ATOM 503 CA GLU A 32 15.173 -17.909 14.576 1.00 1.65 C ATOM 504 C GLU A 32 14.961 -16.434 14.903 1.00 1.75 C ATOM 505 O GLU A 32 15.804 -15.810 15.546 1.00 2.00 O ATOM 506 CB GLU A 32 16.001 -18.054 13.298 1.00 1.54 C ATOM 507 CG GLU A 32 16.483 -19.472 13.049 1.00 1.79 C ATOM 508 CD GLU A 32 17.261 -19.603 11.758 1.00 2.33 C ATOM 509 OE1 GLU A 32 18.313 -18.946 11.627 1.00 2.57 O ATOM 510 OE2 GLU A 32 16.830 -20.370 10.872 1.00 3.01 O ATOM 0 H GLU A 32 13.676 -18.905 13.496 1.00 1.61 H new ATOM 0 HA GLU A 32 15.719 -18.357 15.406 1.00 1.65 H new ATOM 0 HB2 GLU A 32 15.403 -17.727 12.447 1.00 1.54 H new ATOM 0 HB3 GLU A 32 16.863 -17.390 13.355 1.00 1.54 H new ATOM 0 HG2 GLU A 32 17.111 -19.790 13.881 1.00 1.79 H new ATOM 0 HG3 GLU A 32 15.625 -20.144 13.022 1.00 1.79 H new ATOM 517 N ASN A 33 13.842 -15.878 14.461 1.00 1.77 N ATOM 518 CA ASN A 33 13.514 -14.485 14.751 1.00 2.01 C ATOM 519 C ASN A 33 12.065 -14.358 15.185 1.00 1.89 C ATOM 520 O ASN A 33 11.196 -13.993 14.395 1.00 2.13 O ATOM 521 CB ASN A 33 13.778 -13.572 13.546 1.00 2.35 C ATOM 522 CG ASN A 33 15.243 -13.213 13.377 1.00 3.05 C ATOM 523 OD1 ASN A 33 15.729 -13.067 12.258 1.00 3.61 O ATOM 524 ND2 ASN A 33 15.950 -13.030 14.481 1.00 3.58 N ATOM 0 H ASN A 33 13.145 -16.368 13.900 1.00 1.77 H new ATOM 0 HA ASN A 33 14.164 -14.164 15.565 1.00 2.01 H new ATOM 0 HB2 ASN A 33 13.425 -14.065 12.640 1.00 2.35 H new ATOM 0 HB3 ASN A 33 13.197 -12.657 13.658 1.00 2.35 H new ATOM 0 HD21 ASN A 33 16.931 -12.759 14.419 1.00 3.58 H new ATOM 0 HD22 ASN A 33 15.513 -13.160 15.394 1.00 3.58 H new ATOM 531 N ARG A 34 11.804 -14.680 16.440 1.00 1.88 N ATOM 532 CA ARG A 34 10.461 -14.575 16.983 1.00 1.96 C ATOM 533 C ARG A 34 10.231 -13.185 17.556 1.00 1.98 C ATOM 534 O ARG A 34 10.199 -12.993 18.771 1.00 2.34 O ATOM 535 CB ARG A 34 10.221 -15.652 18.044 1.00 2.42 C ATOM 536 CG ARG A 34 10.006 -17.037 17.457 1.00 2.86 C ATOM 537 CD ARG A 34 10.103 -18.115 18.518 1.00 3.54 C ATOM 538 NE ARG A 34 11.472 -18.292 18.995 1.00 3.97 N ATOM 539 CZ ARG A 34 11.794 -18.974 20.091 1.00 4.63 C ATOM 540 NH1 ARG A 34 10.844 -19.500 20.854 1.00 4.92 N ATOM 541 NH2 ARG A 34 13.066 -19.118 20.430 1.00 5.33 N ATOM 0 H ARG A 34 12.504 -15.016 17.102 1.00 1.88 H new ATOM 0 HA ARG A 34 9.746 -14.735 16.176 1.00 1.96 H new ATOM 0 HB2 ARG A 34 11.074 -15.681 18.722 1.00 2.42 H new ATOM 0 HB3 ARG A 34 9.350 -15.378 18.639 1.00 2.42 H new ATOM 0 HG2 ARG A 34 9.027 -17.082 16.980 1.00 2.86 H new ATOM 0 HG3 ARG A 34 10.748 -17.223 16.680 1.00 2.86 H new ATOM 0 HD2 ARG A 34 9.457 -17.857 19.357 1.00 3.54 H new ATOM 0 HD3 ARG A 34 9.736 -19.058 18.112 1.00 3.54 H new ATOM 0 HE ARG A 34 12.226 -17.867 18.456 1.00 3.97 H new ATOM 0 HH11 ARG A 34 9.863 -19.382 20.601 1.00 4.92 H new ATOM 0 HH12 ARG A 34 11.095 -20.022 21.693 1.00 4.92 H new ATOM 0 HH21 ARG A 34 13.798 -18.706 19.851 1.00 5.33 H new ATOM 0 HH22 ARG A 34 13.314 -19.641 21.270 1.00 5.33 H new ATOM 555 N THR A 35 10.106 -12.215 16.665 1.00 1.80 N ATOM 556 CA THR A 35 9.866 -10.838 17.055 1.00 1.96 C ATOM 557 C THR A 35 8.371 -10.558 17.081 1.00 1.86 C ATOM 558 O THR A 35 7.746 -10.366 16.034 1.00 2.02 O ATOM 559 CB THR A 35 10.566 -9.864 16.087 1.00 2.32 C ATOM 560 OG1 THR A 35 10.232 -10.191 14.731 1.00 2.88 O ATOM 561 CG2 THR A 35 12.075 -9.911 16.269 1.00 2.78 C ATOM 0 H THR A 35 10.168 -12.360 15.657 1.00 1.80 H new ATOM 0 HA THR A 35 10.278 -10.687 18.053 1.00 1.96 H new ATOM 0 HB THR A 35 10.220 -8.855 16.311 1.00 2.32 H new ATOM 0 HG1 THR A 35 9.277 -10.404 14.672 1.00 2.88 H new ATOM 0 HG21 THR A 35 12.547 -9.215 15.575 1.00 2.78 H new ATOM 0 HG22 THR A 35 12.327 -9.631 17.292 1.00 2.78 H new ATOM 0 HG23 THR A 35 12.434 -10.921 16.071 1.00 2.78 H new ATOM 569 N GLU A 36 7.801 -10.590 18.281 1.00 1.87 N ATOM 570 CA GLU A 36 6.368 -10.400 18.464 1.00 1.94 C ATOM 571 C GLU A 36 5.926 -9.053 17.902 1.00 1.78 C ATOM 572 O GLU A 36 6.444 -8.004 18.290 1.00 1.92 O ATOM 573 CB GLU A 36 6.000 -10.505 19.949 1.00 2.27 C ATOM 574 CG GLU A 36 4.502 -10.466 20.211 1.00 2.71 C ATOM 575 CD GLU A 36 4.168 -10.597 21.682 1.00 3.32 C ATOM 576 OE1 GLU A 36 4.273 -9.594 22.415 1.00 3.86 O ATOM 577 OE2 GLU A 36 3.798 -11.707 22.113 1.00 3.69 O ATOM 0 H GLU A 36 8.315 -10.747 19.148 1.00 1.87 H new ATOM 0 HA GLU A 36 5.847 -11.187 17.919 1.00 1.94 H new ATOM 0 HB2 GLU A 36 6.406 -11.433 20.350 1.00 2.27 H new ATOM 0 HB3 GLU A 36 6.476 -9.688 20.491 1.00 2.27 H new ATOM 0 HG2 GLU A 36 4.094 -9.529 19.831 1.00 2.71 H new ATOM 0 HG3 GLU A 36 4.019 -11.272 19.659 1.00 2.71 H new ATOM 584 N ALA A 37 4.975 -9.098 16.981 1.00 1.73 N ATOM 585 CA ALA A 37 4.459 -7.898 16.350 1.00 1.70 C ATOM 586 C ALA A 37 3.610 -7.100 17.334 1.00 1.55 C ATOM 587 O ALA A 37 2.843 -7.676 18.112 1.00 1.78 O ATOM 588 CB ALA A 37 3.649 -8.260 15.116 1.00 2.06 C ATOM 0 H ALA A 37 4.543 -9.962 16.653 1.00 1.73 H new ATOM 0 HA ALA A 37 5.300 -7.277 16.043 1.00 1.70 H new ATOM 0 HB1 ALA A 37 3.267 -7.351 14.652 1.00 2.06 H new ATOM 0 HB2 ALA A 37 4.284 -8.791 14.407 1.00 2.06 H new ATOM 0 HB3 ALA A 37 2.814 -8.899 15.403 1.00 2.06 H new ATOM 594 N PRO A 38 3.742 -5.766 17.322 1.00 1.53 N ATOM 595 CA PRO A 38 2.990 -4.886 18.221 1.00 1.68 C ATOM 596 C PRO A 38 1.503 -4.860 17.882 1.00 1.55 C ATOM 597 O PRO A 38 1.075 -5.436 16.881 1.00 1.51 O ATOM 598 CB PRO A 38 3.615 -3.500 17.996 1.00 2.02 C ATOM 599 CG PRO A 38 4.868 -3.746 17.222 1.00 2.11 C ATOM 600 CD PRO A 38 4.630 -4.999 16.435 1.00 1.77 C ATOM 0 HA PRO A 38 3.048 -5.222 19.256 1.00 1.68 H new ATOM 0 HB2 PRO A 38 2.936 -2.848 17.446 1.00 2.02 H new ATOM 0 HB3 PRO A 38 3.830 -3.008 18.945 1.00 2.02 H new ATOM 0 HG2 PRO A 38 5.090 -2.907 16.562 1.00 2.11 H new ATOM 0 HG3 PRO A 38 5.722 -3.861 17.889 1.00 2.11 H new ATOM 0 HD2 PRO A 38 4.162 -4.791 15.473 1.00 1.77 H new ATOM 0 HD3 PRO A 38 5.558 -5.532 16.230 1.00 1.77 H new ATOM 608 N GLU A 39 0.720 -4.203 18.719 1.00 1.87 N ATOM 609 CA GLU A 39 -0.711 -4.091 18.488 1.00 1.91 C ATOM 610 C GLU A 39 -0.976 -3.087 17.372 1.00 1.53 C ATOM 611 O GLU A 39 -0.983 -1.876 17.600 1.00 1.78 O ATOM 612 CB GLU A 39 -1.430 -3.670 19.773 1.00 2.57 C ATOM 613 CG GLU A 39 -1.131 -4.573 20.960 1.00 3.24 C ATOM 614 CD GLU A 39 -1.376 -6.036 20.654 1.00 3.67 C ATOM 615 OE1 GLU A 39 -2.554 -6.459 20.637 1.00 4.19 O ATOM 616 OE2 GLU A 39 -0.395 -6.778 20.431 1.00 3.88 O ATOM 0 H GLU A 39 1.050 -3.739 19.565 1.00 1.87 H new ATOM 0 HA GLU A 39 -1.098 -5.064 18.186 1.00 1.91 H new ATOM 0 HB2 GLU A 39 -1.143 -2.649 20.022 1.00 2.57 H new ATOM 0 HB3 GLU A 39 -2.505 -3.664 19.593 1.00 2.57 H new ATOM 0 HG2 GLU A 39 -0.093 -4.438 21.262 1.00 3.24 H new ATOM 0 HG3 GLU A 39 -1.751 -4.273 21.805 1.00 3.24 H new ATOM 623 N GLY A 40 -1.171 -3.599 16.165 1.00 1.33 N ATOM 624 CA GLY A 40 -1.326 -2.744 15.005 1.00 1.39 C ATOM 625 C GLY A 40 -2.728 -2.193 14.856 1.00 1.23 C ATOM 626 O GLY A 40 -3.442 -2.556 13.926 1.00 1.20 O ATOM 0 H GLY A 40 -1.225 -4.598 15.968 1.00 1.33 H new ATOM 0 HA2 GLY A 40 -0.622 -1.915 15.076 1.00 1.39 H new ATOM 0 HA3 GLY A 40 -1.066 -3.307 14.109 1.00 1.39 H new ATOM 630 N THR A 41 -3.118 -1.317 15.770 1.00 1.33 N ATOM 631 CA THR A 41 -4.422 -0.669 15.706 1.00 1.34 C ATOM 632 C THR A 41 -4.502 0.233 14.474 1.00 1.09 C ATOM 633 O THR A 41 -5.239 -0.054 13.529 1.00 1.05 O ATOM 634 CB THR A 41 -4.675 0.163 16.977 1.00 1.62 C ATOM 635 OG1 THR A 41 -4.402 -0.633 18.138 1.00 1.89 O ATOM 636 CG2 THR A 41 -6.114 0.657 17.029 1.00 1.79 C ATOM 0 H THR A 41 -2.548 -1.037 16.568 1.00 1.33 H new ATOM 0 HA THR A 41 -5.187 -1.442 15.634 1.00 1.34 H new ATOM 0 HB THR A 41 -4.012 1.028 16.956 1.00 1.62 H new ATOM 0 HG1 THR A 41 -4.562 -0.100 18.945 1.00 1.89 H new ATOM 0 HG21 THR A 41 -6.265 1.242 17.936 1.00 1.79 H new ATOM 0 HG22 THR A 41 -6.316 1.280 16.158 1.00 1.79 H new ATOM 0 HG23 THR A 41 -6.792 -0.197 17.030 1.00 1.79 H new ATOM 644 N GLU A 42 -3.735 1.318 14.484 1.00 1.02 N ATOM 645 CA GLU A 42 -3.677 2.227 13.346 1.00 0.87 C ATOM 646 C GLU A 42 -3.061 1.526 12.139 1.00 0.73 C ATOM 647 O GLU A 42 -3.452 1.772 10.998 1.00 0.63 O ATOM 648 CB GLU A 42 -2.860 3.470 13.707 1.00 1.05 C ATOM 649 CG GLU A 42 -2.781 4.495 12.593 1.00 1.53 C ATOM 650 CD GLU A 42 -1.957 5.700 12.981 1.00 2.12 C ATOM 651 OE1 GLU A 42 -2.515 6.637 13.588 1.00 2.42 O ATOM 652 OE2 GLU A 42 -0.744 5.719 12.688 1.00 2.82 O ATOM 0 H GLU A 42 -3.144 1.589 15.270 1.00 1.02 H new ATOM 0 HA GLU A 42 -4.692 2.533 13.091 1.00 0.87 H new ATOM 0 HB2 GLU A 42 -3.298 3.938 14.588 1.00 1.05 H new ATOM 0 HB3 GLU A 42 -1.850 3.163 13.978 1.00 1.05 H new ATOM 0 HG2 GLU A 42 -2.348 4.032 11.706 1.00 1.53 H new ATOM 0 HG3 GLU A 42 -3.788 4.817 12.326 1.00 1.53 H new ATOM 659 N SER A 43 -2.109 0.640 12.411 1.00 0.79 N ATOM 660 CA SER A 43 -1.421 -0.114 11.369 1.00 0.75 C ATOM 661 C SER A 43 -2.419 -0.885 10.502 1.00 0.67 C ATOM 662 O SER A 43 -2.305 -0.897 9.278 1.00 0.62 O ATOM 663 CB SER A 43 -0.407 -1.076 12.006 1.00 0.94 C ATOM 664 OG SER A 43 0.438 -1.671 11.035 1.00 1.14 O ATOM 0 H SER A 43 -1.793 0.425 13.357 1.00 0.79 H new ATOM 0 HA SER A 43 -0.890 0.588 10.725 1.00 0.75 H new ATOM 0 HB2 SER A 43 0.199 -0.536 12.733 1.00 0.94 H new ATOM 0 HB3 SER A 43 -0.939 -1.856 12.551 1.00 0.94 H new ATOM 0 HG SER A 43 1.070 -2.275 11.478 1.00 1.14 H new ATOM 670 N GLU A 44 -3.417 -1.492 11.137 1.00 0.72 N ATOM 671 CA GLU A 44 -4.416 -2.292 10.430 1.00 0.73 C ATOM 672 C GLU A 44 -5.210 -1.438 9.436 1.00 0.61 C ATOM 673 O GLU A 44 -5.694 -1.940 8.419 1.00 0.66 O ATOM 674 CB GLU A 44 -5.358 -2.949 11.445 1.00 0.85 C ATOM 675 CG GLU A 44 -6.366 -3.913 10.841 1.00 1.32 C ATOM 676 CD GLU A 44 -5.721 -5.092 10.139 1.00 1.96 C ATOM 677 OE1 GLU A 44 -4.849 -5.748 10.748 1.00 1.90 O ATOM 678 OE2 GLU A 44 -6.051 -5.352 8.964 1.00 2.98 O ATOM 0 H GLU A 44 -3.557 -1.445 12.146 1.00 0.72 H new ATOM 0 HA GLU A 44 -3.901 -3.066 9.861 1.00 0.73 H new ATOM 0 HB2 GLU A 44 -4.760 -3.484 12.182 1.00 0.85 H new ATOM 0 HB3 GLU A 44 -5.898 -2.167 11.979 1.00 0.85 H new ATOM 0 HG2 GLU A 44 -7.022 -4.283 11.629 1.00 1.32 H new ATOM 0 HG3 GLU A 44 -6.993 -3.374 10.130 1.00 1.32 H new ATOM 685 N ALA A 45 -5.319 -0.145 9.715 1.00 0.53 N ATOM 686 CA ALA A 45 -6.077 0.757 8.859 1.00 0.45 C ATOM 687 C ALA A 45 -5.304 1.064 7.584 1.00 0.39 C ATOM 688 O ALA A 45 -5.807 0.865 6.481 1.00 0.39 O ATOM 689 CB ALA A 45 -6.406 2.041 9.600 1.00 0.48 C ATOM 0 H ALA A 45 -4.892 0.302 10.527 1.00 0.53 H new ATOM 0 HA ALA A 45 -7.010 0.265 8.585 1.00 0.45 H new ATOM 0 HB1 ALA A 45 -6.973 2.704 8.946 1.00 0.48 H new ATOM 0 HB2 ALA A 45 -7.000 1.809 10.484 1.00 0.48 H new ATOM 0 HB3 ALA A 45 -5.482 2.533 9.903 1.00 0.48 H new ATOM 695 N VAL A 46 -4.078 1.541 7.745 1.00 0.36 N ATOM 696 CA VAL A 46 -3.217 1.836 6.610 1.00 0.32 C ATOM 697 C VAL A 46 -2.908 0.565 5.824 1.00 0.34 C ATOM 698 O VAL A 46 -2.868 0.575 4.595 1.00 0.35 O ATOM 699 CB VAL A 46 -1.911 2.531 7.058 1.00 0.33 C ATOM 700 CG1 VAL A 46 -1.494 2.083 8.447 1.00 0.34 C ATOM 701 CG2 VAL A 46 -0.801 2.266 6.063 1.00 0.34 C ATOM 0 H VAL A 46 -3.657 1.732 8.654 1.00 0.36 H new ATOM 0 HA VAL A 46 -3.753 2.525 5.957 1.00 0.32 H new ATOM 0 HB VAL A 46 -2.101 3.604 7.095 1.00 0.33 H new ATOM 0 HG11 VAL A 46 -0.572 2.590 8.732 1.00 0.34 H new ATOM 0 HG12 VAL A 46 -2.280 2.331 9.160 1.00 0.34 H new ATOM 0 HG13 VAL A 46 -1.330 1.005 8.448 1.00 0.34 H new ATOM 0 HG21 VAL A 46 0.111 2.763 6.394 1.00 0.34 H new ATOM 0 HG22 VAL A 46 -0.624 1.193 5.992 1.00 0.34 H new ATOM 0 HG23 VAL A 46 -1.089 2.651 5.085 1.00 0.34 H new ATOM 711 N LYS A 47 -2.704 -0.520 6.550 1.00 0.41 N ATOM 712 CA LYS A 47 -2.540 -1.845 5.955 1.00 0.50 C ATOM 713 C LYS A 47 -3.671 -2.141 4.971 1.00 0.51 C ATOM 714 O LYS A 47 -3.439 -2.645 3.870 1.00 0.59 O ATOM 715 CB LYS A 47 -2.524 -2.890 7.076 1.00 0.63 C ATOM 716 CG LYS A 47 -2.712 -4.323 6.619 1.00 0.84 C ATOM 717 CD LYS A 47 -2.912 -5.231 7.817 1.00 1.45 C ATOM 718 CE LYS A 47 -3.471 -6.583 7.419 1.00 1.93 C ATOM 719 NZ LYS A 47 -3.806 -7.403 8.611 1.00 2.14 N ATOM 0 H LYS A 47 -2.647 -0.513 7.568 1.00 0.41 H new ATOM 0 HA LYS A 47 -1.601 -1.880 5.403 1.00 0.50 H new ATOM 0 HB2 LYS A 47 -1.576 -2.816 7.608 1.00 0.63 H new ATOM 0 HB3 LYS A 47 -3.310 -2.646 7.791 1.00 0.63 H new ATOM 0 HG2 LYS A 47 -3.573 -4.391 5.954 1.00 0.84 H new ATOM 0 HG3 LYS A 47 -1.842 -4.648 6.048 1.00 0.84 H new ATOM 0 HD2 LYS A 47 -1.960 -5.369 8.330 1.00 1.45 H new ATOM 0 HD3 LYS A 47 -3.589 -4.753 8.525 1.00 1.45 H new ATOM 0 HE2 LYS A 47 -4.363 -6.444 6.809 1.00 1.93 H new ATOM 0 HE3 LYS A 47 -2.743 -7.113 6.804 1.00 1.93 H new ATOM 0 HZ1 LYS A 47 -4.599 -8.037 8.385 1.00 2.14 H new ATOM 0 HZ2 LYS A 47 -2.978 -7.969 8.887 1.00 2.14 H new ATOM 0 HZ3 LYS A 47 -4.076 -6.778 9.397 1.00 2.14 H new ATOM 733 N GLN A 48 -4.890 -1.801 5.368 1.00 0.47 N ATOM 734 CA GLN A 48 -6.060 -2.019 4.527 1.00 0.52 C ATOM 735 C GLN A 48 -6.112 -0.968 3.423 1.00 0.48 C ATOM 736 O GLN A 48 -6.483 -1.258 2.282 1.00 0.54 O ATOM 737 CB GLN A 48 -7.333 -1.956 5.372 1.00 0.55 C ATOM 738 CG GLN A 48 -8.587 -2.400 4.635 1.00 0.85 C ATOM 739 CD GLN A 48 -8.570 -3.876 4.284 1.00 1.50 C ATOM 740 OE1 GLN A 48 -8.097 -4.270 3.219 1.00 2.23 O ATOM 741 NE2 GLN A 48 -9.092 -4.702 5.178 1.00 2.02 N ATOM 0 H GLN A 48 -5.095 -1.372 6.270 1.00 0.47 H new ATOM 0 HA GLN A 48 -5.989 -3.007 4.071 1.00 0.52 H new ATOM 0 HB2 GLN A 48 -7.202 -2.582 6.255 1.00 0.55 H new ATOM 0 HB3 GLN A 48 -7.473 -0.934 5.724 1.00 0.55 H new ATOM 0 HG2 GLN A 48 -9.460 -2.188 5.252 1.00 0.85 H new ATOM 0 HG3 GLN A 48 -8.693 -1.815 3.721 1.00 0.85 H new ATOM 0 HE21 GLN A 48 -9.474 -4.335 6.050 1.00 2.02 H new ATOM 0 HE22 GLN A 48 -9.112 -5.705 4.995 1.00 2.02 H new ATOM 750 N ALA A 49 -5.718 0.249 3.776 1.00 0.42 N ATOM 751 CA ALA A 49 -5.701 1.361 2.843 1.00 0.40 C ATOM 752 C ALA A 49 -4.779 1.068 1.671 1.00 0.39 C ATOM 753 O ALA A 49 -5.163 1.222 0.514 1.00 0.42 O ATOM 754 CB ALA A 49 -5.260 2.626 3.556 1.00 0.36 C ATOM 0 H ALA A 49 -5.402 0.489 4.716 1.00 0.42 H new ATOM 0 HA ALA A 49 -6.709 1.504 2.454 1.00 0.40 H new ATOM 0 HB1 ALA A 49 -5.249 3.457 2.850 1.00 0.36 H new ATOM 0 HB2 ALA A 49 -5.954 2.848 4.367 1.00 0.36 H new ATOM 0 HB3 ALA A 49 -4.259 2.484 3.964 1.00 0.36 H new ATOM 760 N LEU A 50 -3.566 0.624 1.980 1.00 0.38 N ATOM 761 CA LEU A 50 -2.580 0.312 0.952 1.00 0.39 C ATOM 762 C LEU A 50 -3.016 -0.881 0.119 1.00 0.46 C ATOM 763 O LEU A 50 -2.693 -0.967 -1.061 1.00 0.49 O ATOM 764 CB LEU A 50 -1.199 0.040 1.562 1.00 0.39 C ATOM 765 CG LEU A 50 -0.286 1.263 1.695 1.00 0.33 C ATOM 766 CD1 LEU A 50 -0.046 1.903 0.335 1.00 0.31 C ATOM 767 CD2 LEU A 50 -0.874 2.273 2.662 1.00 0.29 C ATOM 0 H LEU A 50 -3.242 0.472 2.935 1.00 0.38 H new ATOM 0 HA LEU A 50 -2.506 1.186 0.305 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -1.337 -0.398 2.550 1.00 0.39 H new ATOM 0 HB3 LEU A 50 -0.691 -0.706 0.951 1.00 0.39 H new ATOM 0 HG LEU A 50 0.672 0.929 2.093 1.00 0.33 H new ATOM 0 HD11 LEU A 50 0.605 2.770 0.451 1.00 0.31 H new ATOM 0 HD12 LEU A 50 0.428 1.180 -0.329 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -0.998 2.218 -0.092 1.00 0.31 H new ATOM 0 HD21 LEU A 50 -0.208 3.132 2.740 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -1.848 2.600 2.298 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -0.989 1.813 3.643 1.00 0.29 H new ATOM 779 N ARG A 51 -3.758 -1.794 0.729 1.00 0.52 N ATOM 780 CA ARG A 51 -4.239 -2.966 0.015 1.00 0.61 C ATOM 781 C ARG A 51 -5.177 -2.552 -1.114 1.00 0.62 C ATOM 782 O ARG A 51 -5.005 -2.968 -2.262 1.00 0.69 O ATOM 783 CB ARG A 51 -4.953 -3.932 0.960 1.00 0.67 C ATOM 784 CG ARG A 51 -5.509 -5.148 0.244 1.00 0.98 C ATOM 785 CD ARG A 51 -6.220 -6.092 1.193 1.00 1.49 C ATOM 786 NE ARG A 51 -6.804 -7.221 0.475 1.00 2.00 N ATOM 787 CZ ARG A 51 -7.000 -8.424 1.003 1.00 2.89 C ATOM 788 NH1 ARG A 51 -6.683 -8.665 2.268 1.00 3.39 N ATOM 789 NH2 ARG A 51 -7.518 -9.388 0.254 1.00 3.74 N ATOM 0 H ARG A 51 -4.038 -1.746 1.709 1.00 0.52 H new ATOM 0 HA ARG A 51 -3.375 -3.478 -0.409 1.00 0.61 H new ATOM 0 HB2 ARG A 51 -4.258 -4.258 1.734 1.00 0.67 H new ATOM 0 HB3 ARG A 51 -5.766 -3.408 1.462 1.00 0.67 H new ATOM 0 HG2 ARG A 51 -6.202 -4.825 -0.533 1.00 0.98 H new ATOM 0 HG3 ARG A 51 -4.697 -5.678 -0.253 1.00 0.98 H new ATOM 0 HD2 ARG A 51 -5.517 -6.458 1.941 1.00 1.49 H new ATOM 0 HD3 ARG A 51 -7.003 -5.553 1.728 1.00 1.49 H new ATOM 0 HE ARG A 51 -7.080 -7.076 -0.496 1.00 2.00 H new ATOM 0 HH11 ARG A 51 -6.285 -7.923 2.844 1.00 3.39 H new ATOM 0 HH12 ARG A 51 -6.837 -9.592 2.665 1.00 3.39 H new ATOM 0 HH21 ARG A 51 -7.762 -9.202 -0.719 1.00 3.74 H new ATOM 0 HH22 ARG A 51 -7.672 -10.315 0.651 1.00 3.74 H new ATOM 803 N GLU A 52 -6.154 -1.718 -0.786 1.00 0.59 N ATOM 804 CA GLU A 52 -7.108 -1.243 -1.779 1.00 0.62 C ATOM 805 C GLU A 52 -6.449 -0.235 -2.715 1.00 0.59 C ATOM 806 O GLU A 52 -6.765 -0.179 -3.906 1.00 0.65 O ATOM 807 CB GLU A 52 -8.331 -0.624 -1.101 1.00 0.66 C ATOM 808 CG GLU A 52 -9.136 -1.611 -0.265 1.00 0.92 C ATOM 809 CD GLU A 52 -9.656 -2.785 -1.075 1.00 1.23 C ATOM 810 OE1 GLU A 52 -10.695 -2.637 -1.756 1.00 1.45 O ATOM 811 OE2 GLU A 52 -9.018 -3.858 -1.049 1.00 1.88 O ATOM 0 H GLU A 52 -6.307 -1.357 0.156 1.00 0.59 H new ATOM 0 HA GLU A 52 -7.440 -2.097 -2.370 1.00 0.62 H new ATOM 0 HB2 GLU A 52 -8.004 0.197 -0.463 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -8.980 -0.195 -1.865 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -8.513 -1.984 0.547 1.00 0.92 H new ATOM 0 HG3 GLU A 52 -9.977 -1.090 0.192 1.00 0.92 H new ATOM 818 N ALA A 53 -5.523 0.550 -2.176 1.00 0.52 N ATOM 819 CA ALA A 53 -4.782 1.520 -2.968 1.00 0.49 C ATOM 820 C ALA A 53 -3.923 0.818 -4.009 1.00 0.52 C ATOM 821 O ALA A 53 -3.945 1.177 -5.186 1.00 0.53 O ATOM 822 CB ALA A 53 -3.921 2.384 -2.065 1.00 0.43 C ATOM 0 H ALA A 53 -5.268 0.532 -1.189 1.00 0.52 H new ATOM 0 HA ALA A 53 -5.495 2.160 -3.489 1.00 0.49 H new ATOM 0 HB1 ALA A 53 -3.371 3.106 -2.669 1.00 0.43 H new ATOM 0 HB2 ALA A 53 -4.556 2.914 -1.355 1.00 0.43 H new ATOM 0 HB3 ALA A 53 -3.217 1.754 -1.522 1.00 0.43 H new ATOM 828 N GLY A 54 -3.179 -0.191 -3.567 1.00 0.57 N ATOM 829 CA GLY A 54 -2.326 -0.953 -4.462 1.00 0.64 C ATOM 830 C GLY A 54 -3.114 -1.643 -5.554 1.00 0.74 C ATOM 831 O GLY A 54 -2.588 -1.913 -6.631 1.00 0.82 O ATOM 0 H GLY A 54 -3.152 -0.497 -2.594 1.00 0.57 H new ATOM 0 HA2 GLY A 54 -1.589 -0.288 -4.913 1.00 0.64 H new ATOM 0 HA3 GLY A 54 -1.774 -1.698 -3.889 1.00 0.64 H new ATOM 835 N ASP A 55 -4.378 -1.926 -5.276 1.00 0.79 N ATOM 836 CA ASP A 55 -5.263 -2.527 -6.265 1.00 0.92 C ATOM 837 C ASP A 55 -5.659 -1.488 -7.304 1.00 0.88 C ATOM 838 O ASP A 55 -5.603 -1.742 -8.508 1.00 0.97 O ATOM 839 CB ASP A 55 -6.520 -3.102 -5.599 1.00 1.04 C ATOM 840 CG ASP A 55 -7.519 -3.648 -6.605 1.00 1.12 C ATOM 841 OD1 ASP A 55 -8.386 -2.877 -7.070 1.00 1.29 O ATOM 842 OD2 ASP A 55 -7.439 -4.850 -6.945 1.00 1.34 O ATOM 0 H ASP A 55 -4.815 -1.749 -4.372 1.00 0.79 H new ATOM 0 HA ASP A 55 -4.729 -3.343 -6.752 1.00 0.92 H new ATOM 0 HB2 ASP A 55 -6.231 -3.897 -4.912 1.00 1.04 H new ATOM 0 HB3 ASP A 55 -6.998 -2.325 -5.003 1.00 1.04 H new ATOM 847 N GLU A 56 -6.022 -0.303 -6.823 1.00 0.79 N ATOM 848 CA GLU A 56 -6.498 0.765 -7.688 1.00 0.83 C ATOM 849 C GLU A 56 -5.356 1.351 -8.514 1.00 0.78 C ATOM 850 O GLU A 56 -5.508 1.575 -9.713 1.00 0.85 O ATOM 851 CB GLU A 56 -7.181 1.862 -6.858 1.00 0.83 C ATOM 852 CG GLU A 56 -7.794 2.974 -7.695 1.00 0.94 C ATOM 853 CD GLU A 56 -8.551 3.982 -6.860 1.00 1.27 C ATOM 854 OE1 GLU A 56 -9.569 3.611 -6.238 1.00 1.38 O ATOM 855 OE2 GLU A 56 -8.121 5.152 -6.807 1.00 2.06 O ATOM 0 H GLU A 56 -5.994 -0.060 -5.833 1.00 0.79 H new ATOM 0 HA GLU A 56 -7.230 0.343 -8.377 1.00 0.83 H new ATOM 0 HB2 GLU A 56 -7.961 1.409 -6.246 1.00 0.83 H new ATOM 0 HB3 GLU A 56 -6.451 2.295 -6.175 1.00 0.83 H new ATOM 0 HG2 GLU A 56 -7.005 3.485 -8.247 1.00 0.94 H new ATOM 0 HG3 GLU A 56 -8.469 2.539 -8.432 1.00 0.94 H new ATOM 862 N PHE A 57 -4.207 1.574 -7.881 1.00 0.72 N ATOM 863 CA PHE A 57 -3.055 2.148 -8.573 1.00 0.76 C ATOM 864 C PHE A 57 -2.597 1.210 -9.687 1.00 0.82 C ATOM 865 O PHE A 57 -2.309 1.645 -10.805 1.00 0.90 O ATOM 866 CB PHE A 57 -1.903 2.409 -7.591 1.00 0.77 C ATOM 867 CG PHE A 57 -0.802 3.271 -8.157 1.00 0.94 C ATOM 868 CD1 PHE A 57 0.175 2.730 -8.984 1.00 1.05 C ATOM 869 CD2 PHE A 57 -0.747 4.624 -7.863 1.00 1.07 C ATOM 870 CE1 PHE A 57 1.180 3.524 -9.505 1.00 1.25 C ATOM 871 CE2 PHE A 57 0.256 5.422 -8.382 1.00 1.26 C ATOM 872 CZ PHE A 57 1.220 4.871 -9.203 1.00 1.34 C ATOM 0 H PHE A 57 -4.049 1.367 -6.895 1.00 0.72 H new ATOM 0 HA PHE A 57 -3.353 3.101 -9.009 1.00 0.76 H new ATOM 0 HB2 PHE A 57 -2.302 2.887 -6.697 1.00 0.77 H new ATOM 0 HB3 PHE A 57 -1.480 1.454 -7.280 1.00 0.77 H new ATOM 0 HD1 PHE A 57 0.149 1.677 -9.223 1.00 1.05 H new ATOM 0 HD2 PHE A 57 -1.497 5.061 -7.220 1.00 1.07 H new ATOM 0 HE1 PHE A 57 1.933 3.091 -10.147 1.00 1.25 H new ATOM 0 HE2 PHE A 57 0.285 6.475 -8.145 1.00 1.26 H new ATOM 0 HZ PHE A 57 2.004 5.493 -9.609 1.00 1.34 H new ATOM 882 N GLU A 58 -2.570 -0.082 -9.379 1.00 0.83 N ATOM 883 CA GLU A 58 -2.152 -1.099 -10.336 1.00 0.95 C ATOM 884 C GLU A 58 -3.163 -1.198 -11.476 1.00 0.99 C ATOM 885 O GLU A 58 -2.798 -1.426 -12.626 1.00 1.08 O ATOM 886 CB GLU A 58 -2.023 -2.456 -9.628 1.00 1.05 C ATOM 887 CG GLU A 58 -1.596 -3.607 -10.529 1.00 1.35 C ATOM 888 CD GLU A 58 -1.718 -4.949 -9.838 1.00 1.27 C ATOM 889 OE1 GLU A 58 -2.834 -5.509 -9.816 1.00 1.61 O ATOM 890 OE2 GLU A 58 -0.704 -5.452 -9.313 1.00 1.45 O ATOM 0 H GLU A 58 -2.835 -0.452 -8.466 1.00 0.83 H new ATOM 0 HA GLU A 58 -1.184 -0.818 -10.751 1.00 0.95 H new ATOM 0 HB2 GLU A 58 -1.301 -2.360 -8.817 1.00 1.05 H new ATOM 0 HB3 GLU A 58 -2.982 -2.705 -9.173 1.00 1.05 H new ATOM 0 HG2 GLU A 58 -2.209 -3.607 -11.430 1.00 1.35 H new ATOM 0 HG3 GLU A 58 -0.564 -3.455 -10.845 1.00 1.35 H new ATOM 897 N LEU A 59 -4.433 -1.002 -11.149 1.00 0.98 N ATOM 898 CA LEU A 59 -5.506 -1.132 -12.122 1.00 1.10 C ATOM 899 C LEU A 59 -5.619 0.121 -12.989 1.00 1.10 C ATOM 900 O LEU A 59 -6.157 0.079 -14.097 1.00 1.24 O ATOM 901 CB LEU A 59 -6.829 -1.376 -11.399 1.00 1.19 C ATOM 902 CG LEU A 59 -8.004 -1.757 -12.294 1.00 1.36 C ATOM 903 CD1 LEU A 59 -7.804 -3.150 -12.867 1.00 1.59 C ATOM 904 CD2 LEU A 59 -9.307 -1.668 -11.519 1.00 1.56 C ATOM 0 H LEU A 59 -4.745 -0.751 -10.211 1.00 0.98 H new ATOM 0 HA LEU A 59 -5.278 -1.978 -12.771 1.00 1.10 H new ATOM 0 HB2 LEU A 59 -6.682 -2.168 -10.665 1.00 1.19 H new ATOM 0 HB3 LEU A 59 -7.093 -0.474 -10.846 1.00 1.19 H new ATOM 0 HG LEU A 59 -8.055 -1.054 -13.126 1.00 1.36 H new ATOM 0 HD11 LEU A 59 -8.651 -3.407 -13.503 1.00 1.59 H new ATOM 0 HD12 LEU A 59 -6.887 -3.173 -13.456 1.00 1.59 H new ATOM 0 HD13 LEU A 59 -7.730 -3.871 -12.053 1.00 1.59 H new ATOM 0 HD21 LEU A 59 -10.137 -1.943 -12.170 1.00 1.56 H new ATOM 0 HD22 LEU A 59 -9.272 -2.349 -10.669 1.00 1.56 H new ATOM 0 HD23 LEU A 59 -9.449 -0.648 -11.161 1.00 1.56 H new ATOM 916 N ARG A 60 -5.110 1.231 -12.477 1.00 1.00 N ATOM 917 CA ARG A 60 -5.209 2.514 -13.167 1.00 1.06 C ATOM 918 C ARG A 60 -3.982 2.775 -14.032 1.00 1.00 C ATOM 919 O ARG A 60 -4.104 3.183 -15.186 1.00 1.07 O ATOM 920 CB ARG A 60 -5.392 3.664 -12.164 1.00 1.10 C ATOM 921 CG ARG A 60 -6.835 3.892 -11.723 1.00 1.19 C ATOM 922 CD ARG A 60 -7.684 4.450 -12.858 1.00 1.31 C ATOM 923 NE ARG A 60 -7.150 5.717 -13.361 1.00 1.81 N ATOM 924 CZ ARG A 60 -7.158 6.075 -14.645 1.00 2.26 C ATOM 925 NH1 ARG A 60 -7.668 5.260 -15.562 1.00 2.15 N ATOM 926 NH2 ARG A 60 -6.653 7.247 -15.012 1.00 3.21 N ATOM 0 H ARG A 60 -4.622 1.272 -11.582 1.00 1.00 H new ATOM 0 HA ARG A 60 -6.085 2.467 -13.814 1.00 1.06 H new ATOM 0 HB2 ARG A 60 -4.783 3.462 -11.283 1.00 1.10 H new ATOM 0 HB3 ARG A 60 -5.012 4.583 -12.610 1.00 1.10 H new ATOM 0 HG2 ARG A 60 -7.263 2.952 -11.375 1.00 1.19 H new ATOM 0 HG3 ARG A 60 -6.854 4.582 -10.880 1.00 1.19 H new ATOM 0 HD2 ARG A 60 -7.727 3.725 -13.671 1.00 1.31 H new ATOM 0 HD3 ARG A 60 -8.706 4.599 -12.509 1.00 1.31 H new ATOM 0 HE ARG A 60 -6.746 6.367 -12.686 1.00 1.81 H new ATOM 0 HH11 ARG A 60 -8.055 4.358 -15.284 1.00 2.15 H new ATOM 0 HH12 ARG A 60 -7.673 5.536 -16.544 1.00 2.15 H new ATOM 0 HH21 ARG A 60 -6.258 7.874 -14.311 1.00 3.21 H new ATOM 0 HH22 ARG A 60 -6.660 7.520 -15.995 1.00 3.21 H new ATOM 940 N TYR A 61 -2.802 2.530 -13.480 1.00 0.91 N ATOM 941 CA TYR A 61 -1.562 2.817 -14.185 1.00 0.90 C ATOM 942 C TYR A 61 -0.775 1.532 -14.399 1.00 0.84 C ATOM 943 O TYR A 61 0.418 1.458 -14.100 1.00 0.83 O ATOM 944 CB TYR A 61 -0.716 3.828 -13.398 1.00 0.96 C ATOM 945 CG TYR A 61 -1.466 5.087 -13.009 1.00 1.05 C ATOM 946 CD1 TYR A 61 -2.082 5.872 -13.974 1.00 1.27 C ATOM 947 CD2 TYR A 61 -1.554 5.495 -11.680 1.00 1.04 C ATOM 948 CE1 TYR A 61 -2.764 7.024 -13.632 1.00 1.38 C ATOM 949 CE2 TYR A 61 -2.237 6.645 -11.332 1.00 1.14 C ATOM 950 CZ TYR A 61 -2.845 7.389 -12.276 1.00 1.27 C ATOM 951 OH TYR A 61 -3.517 8.553 -11.972 1.00 1.41 O ATOM 0 H TYR A 61 -2.678 2.134 -12.548 1.00 0.91 H new ATOM 0 HA TYR A 61 -1.806 3.251 -15.155 1.00 0.90 H new ATOM 0 HB2 TYR A 61 -0.340 3.347 -12.495 1.00 0.96 H new ATOM 0 HB3 TYR A 61 0.152 4.104 -13.997 1.00 0.96 H new ATOM 0 HD1 TYR A 61 -2.027 5.577 -15.011 1.00 1.27 H new ATOM 0 HD2 TYR A 61 -1.081 4.904 -10.910 1.00 1.04 H new ATOM 0 HE1 TYR A 61 -3.227 7.634 -14.393 1.00 1.38 H new ATOM 0 HE2 TYR A 61 -2.284 6.949 -10.297 1.00 1.14 H new ATOM 0 HH TYR A 61 -3.504 8.695 -11.002 1.00 1.41 H new ATOM 961 N ARG A 62 -1.452 0.522 -14.934 1.00 0.86 N ATOM 962 CA ARG A 62 -0.850 -0.793 -15.117 1.00 0.85 C ATOM 963 C ARG A 62 0.279 -0.749 -16.147 1.00 0.87 C ATOM 964 O ARG A 62 1.240 -1.515 -16.057 1.00 0.85 O ATOM 965 CB ARG A 62 -1.923 -1.813 -15.519 1.00 0.95 C ATOM 966 CG ARG A 62 -1.405 -3.236 -15.669 1.00 1.04 C ATOM 967 CD ARG A 62 -2.538 -4.250 -15.622 1.00 1.23 C ATOM 968 NE ARG A 62 -3.624 -3.923 -16.546 1.00 1.73 N ATOM 969 CZ ARG A 62 -4.891 -4.286 -16.356 1.00 2.16 C ATOM 970 NH1 ARG A 62 -5.239 -4.936 -15.249 1.00 2.24 N ATOM 971 NH2 ARG A 62 -5.812 -3.981 -17.262 1.00 3.02 N ATOM 0 H ARG A 62 -2.420 0.589 -15.249 1.00 0.86 H new ATOM 0 HA ARG A 62 -0.412 -1.104 -14.169 1.00 0.85 H new ATOM 0 HB2 ARG A 62 -2.716 -1.804 -14.771 1.00 0.95 H new ATOM 0 HB3 ARG A 62 -2.371 -1.500 -16.462 1.00 0.95 H new ATOM 0 HG2 ARG A 62 -0.869 -3.331 -16.613 1.00 1.04 H new ATOM 0 HG3 ARG A 62 -0.691 -3.450 -14.874 1.00 1.04 H new ATOM 0 HD2 ARG A 62 -2.146 -5.238 -15.863 1.00 1.23 H new ATOM 0 HD3 ARG A 62 -2.932 -4.302 -14.607 1.00 1.23 H new ATOM 0 HE ARG A 62 -3.398 -3.386 -17.383 1.00 1.73 H new ATOM 0 HH11 ARG A 62 -4.535 -5.157 -14.545 1.00 2.24 H new ATOM 0 HH12 ARG A 62 -6.210 -5.214 -15.104 1.00 2.24 H new ATOM 0 HH21 ARG A 62 -5.549 -3.469 -18.104 1.00 3.02 H new ATOM 0 HH22 ARG A 62 -6.782 -4.259 -17.116 1.00 3.02 H new ATOM 985 N ARG A 63 0.179 0.164 -17.108 1.00 0.94 N ATOM 986 CA ARG A 63 1.234 0.331 -18.097 1.00 1.01 C ATOM 987 C ARG A 63 2.429 1.029 -17.459 1.00 0.95 C ATOM 988 O ARG A 63 3.562 0.554 -17.553 1.00 0.99 O ATOM 989 CB ARG A 63 0.754 1.138 -19.319 1.00 1.16 C ATOM 990 CG ARG A 63 -0.156 0.371 -20.275 1.00 1.70 C ATOM 991 CD ARG A 63 -1.513 0.062 -19.663 1.00 2.14 C ATOM 992 NE ARG A 63 -2.234 1.272 -19.268 1.00 2.71 N ATOM 993 CZ ARG A 63 -3.395 1.268 -18.614 1.00 3.58 C ATOM 994 NH1 ARG A 63 -3.975 0.120 -18.288 1.00 3.92 N ATOM 995 NH2 ARG A 63 -3.977 2.415 -18.294 1.00 4.52 N ATOM 0 H ARG A 63 -0.615 0.794 -17.221 1.00 0.94 H new ATOM 0 HA ARG A 63 1.522 -0.661 -18.446 1.00 1.01 H new ATOM 0 HB2 ARG A 63 0.224 2.023 -18.967 1.00 1.16 H new ATOM 0 HB3 ARG A 63 1.626 1.487 -19.872 1.00 1.16 H new ATOM 0 HG2 ARG A 63 -0.296 0.954 -21.185 1.00 1.70 H new ATOM 0 HG3 ARG A 63 0.329 -0.561 -20.565 1.00 1.70 H new ATOM 0 HD2 ARG A 63 -2.113 -0.498 -20.380 1.00 2.14 H new ATOM 0 HD3 ARG A 63 -1.378 -0.579 -18.791 1.00 2.14 H new ATOM 0 HE ARG A 63 -1.823 2.174 -19.508 1.00 2.71 H new ATOM 0 HH11 ARG A 63 -3.532 -0.764 -18.538 1.00 3.92 H new ATOM 0 HH12 ARG A 63 -4.864 0.122 -17.787 1.00 3.92 H new ATOM 0 HH21 ARG A 63 -3.536 3.299 -18.548 1.00 4.52 H new ATOM 0 HH22 ARG A 63 -4.866 2.414 -17.793 1.00 4.52 H new ATOM 1009 N ALA A 64 2.156 2.136 -16.772 1.00 0.90 N ATOM 1010 CA ALA A 64 3.202 2.929 -16.139 1.00 0.89 C ATOM 1011 C ALA A 64 3.929 2.119 -15.078 1.00 0.75 C ATOM 1012 O ALA A 64 5.133 2.269 -14.889 1.00 0.73 O ATOM 1013 CB ALA A 64 2.615 4.190 -15.530 1.00 0.94 C ATOM 0 H ALA A 64 1.214 2.504 -16.640 1.00 0.90 H new ATOM 0 HA ALA A 64 3.923 3.213 -16.905 1.00 0.89 H new ATOM 0 HB1 ALA A 64 3.409 4.771 -15.061 1.00 0.94 H new ATOM 0 HB2 ALA A 64 2.142 4.785 -16.311 1.00 0.94 H new ATOM 0 HB3 ALA A 64 1.872 3.920 -14.780 1.00 0.94 H new ATOM 1019 N PHE A 65 3.183 1.259 -14.395 1.00 0.69 N ATOM 1020 CA PHE A 65 3.748 0.386 -13.375 1.00 0.61 C ATOM 1021 C PHE A 65 4.886 -0.449 -13.957 1.00 0.59 C ATOM 1022 O PHE A 65 5.972 -0.508 -13.386 1.00 0.59 O ATOM 1023 CB PHE A 65 2.662 -0.531 -12.792 1.00 0.62 C ATOM 1024 CG PHE A 65 3.119 -1.350 -11.617 1.00 0.59 C ATOM 1025 CD1 PHE A 65 3.150 -0.807 -10.341 1.00 0.60 C ATOM 1026 CD2 PHE A 65 3.526 -2.664 -11.791 1.00 0.64 C ATOM 1027 CE1 PHE A 65 3.575 -1.558 -9.264 1.00 0.64 C ATOM 1028 CE2 PHE A 65 3.953 -3.419 -10.716 1.00 0.68 C ATOM 1029 CZ PHE A 65 3.949 -2.863 -9.438 1.00 0.66 C ATOM 0 H PHE A 65 2.178 1.148 -14.531 1.00 0.69 H new ATOM 0 HA PHE A 65 4.147 1.008 -12.573 1.00 0.61 H new ATOM 0 HB2 PHE A 65 1.811 0.079 -12.488 1.00 0.62 H new ATOM 0 HB3 PHE A 65 2.309 -1.203 -13.575 1.00 0.62 H new ATOM 0 HD1 PHE A 65 2.838 0.216 -10.189 1.00 0.60 H new ATOM 0 HD2 PHE A 65 3.509 -3.102 -12.778 1.00 0.64 H new ATOM 0 HE1 PHE A 65 3.613 -1.114 -8.280 1.00 0.64 H new ATOM 0 HE2 PHE A 65 4.288 -4.435 -10.865 1.00 0.68 H new ATOM 0 HZ PHE A 65 4.240 -3.461 -8.587 1.00 0.66 H new ATOM 1039 N SER A 66 4.642 -1.066 -15.107 1.00 0.64 N ATOM 1040 CA SER A 66 5.629 -1.937 -15.735 1.00 0.68 C ATOM 1041 C SER A 66 6.870 -1.154 -16.175 1.00 0.66 C ATOM 1042 O SER A 66 7.996 -1.628 -16.017 1.00 0.68 O ATOM 1043 CB SER A 66 5.010 -2.660 -16.931 1.00 0.83 C ATOM 1044 OG SER A 66 3.834 -3.358 -16.552 1.00 1.20 O ATOM 0 H SER A 66 3.767 -0.979 -15.625 1.00 0.64 H new ATOM 0 HA SER A 66 5.944 -2.673 -14.995 1.00 0.68 H new ATOM 0 HB2 SER A 66 4.773 -1.939 -17.713 1.00 0.83 H new ATOM 0 HB3 SER A 66 5.733 -3.360 -17.351 1.00 0.83 H new ATOM 0 HG SER A 66 3.098 -2.721 -16.438 1.00 1.20 H new ATOM 1050 N ASP A 67 6.664 0.043 -16.715 1.00 0.68 N ATOM 1051 CA ASP A 67 7.780 0.867 -17.187 1.00 0.73 C ATOM 1052 C ASP A 67 8.565 1.461 -16.022 1.00 0.65 C ATOM 1053 O ASP A 67 9.796 1.436 -16.019 1.00 0.66 O ATOM 1054 CB ASP A 67 7.296 2.000 -18.105 1.00 0.89 C ATOM 1055 CG ASP A 67 6.777 1.501 -19.436 1.00 1.36 C ATOM 1056 OD1 ASP A 67 5.573 1.192 -19.536 1.00 2.06 O ATOM 1057 OD2 ASP A 67 7.570 1.416 -20.397 1.00 1.41 O ATOM 0 H ASP A 67 5.743 0.465 -16.838 1.00 0.68 H new ATOM 0 HA ASP A 67 8.436 0.208 -17.757 1.00 0.73 H new ATOM 0 HB2 ASP A 67 6.508 2.558 -17.600 1.00 0.89 H new ATOM 0 HB3 ASP A 67 8.117 2.695 -18.279 1.00 0.89 H new ATOM 1062 N LEU A 68 7.853 1.984 -15.027 1.00 0.63 N ATOM 1063 CA LEU A 68 8.485 2.691 -13.921 1.00 0.66 C ATOM 1064 C LEU A 68 9.237 1.728 -13.002 1.00 0.57 C ATOM 1065 O LEU A 68 10.251 2.094 -12.405 1.00 0.63 O ATOM 1066 CB LEU A 68 7.432 3.476 -13.133 1.00 0.75 C ATOM 1067 CG LEU A 68 7.979 4.507 -12.145 1.00 0.81 C ATOM 1068 CD1 LEU A 68 8.809 5.556 -12.871 1.00 1.64 C ATOM 1069 CD2 LEU A 68 6.838 5.168 -11.387 1.00 1.07 C ATOM 0 H LEU A 68 6.836 1.930 -14.966 1.00 0.63 H new ATOM 0 HA LEU A 68 9.214 3.389 -14.334 1.00 0.66 H new ATOM 0 HB2 LEU A 68 6.781 3.988 -13.842 1.00 0.75 H new ATOM 0 HB3 LEU A 68 6.811 2.767 -12.585 1.00 0.75 H new ATOM 0 HG LEU A 68 8.622 3.993 -11.431 1.00 0.81 H new ATOM 0 HD11 LEU A 68 9.190 6.281 -12.151 1.00 1.64 H new ATOM 0 HD12 LEU A 68 9.645 5.073 -13.376 1.00 1.64 H new ATOM 0 HD13 LEU A 68 8.187 6.067 -13.606 1.00 1.64 H new ATOM 0 HD21 LEU A 68 7.242 5.900 -10.687 1.00 1.07 H new ATOM 0 HD22 LEU A 68 6.174 5.668 -12.092 1.00 1.07 H new ATOM 0 HD23 LEU A 68 6.279 4.410 -10.838 1.00 1.07 H new ATOM 1081 N THR A 69 8.758 0.490 -12.903 1.00 0.49 N ATOM 1082 CA THR A 69 9.416 -0.508 -12.062 1.00 0.49 C ATOM 1083 C THR A 69 10.755 -0.929 -12.648 1.00 0.46 C ATOM 1084 O THR A 69 11.604 -1.457 -11.941 1.00 0.51 O ATOM 1085 CB THR A 69 8.550 -1.762 -11.842 1.00 0.51 C ATOM 1086 OG1 THR A 69 7.962 -2.184 -13.078 1.00 0.71 O ATOM 1087 CG2 THR A 69 7.465 -1.501 -10.814 1.00 0.63 C ATOM 0 H THR A 69 7.926 0.156 -13.389 1.00 0.49 H new ATOM 0 HA THR A 69 9.572 -0.026 -11.097 1.00 0.49 H new ATOM 0 HB THR A 69 9.196 -2.555 -11.466 1.00 0.51 H new ATOM 0 HG1 THR A 69 7.066 -1.797 -13.163 1.00 0.71 H new ATOM 0 HG21 THR A 69 6.868 -2.403 -10.678 1.00 0.63 H new ATOM 0 HG22 THR A 69 7.923 -1.222 -9.865 1.00 0.63 H new ATOM 0 HG23 THR A 69 6.824 -0.690 -11.160 1.00 0.63 H new ATOM 1095 N SER A 70 10.951 -0.670 -13.935 1.00 0.46 N ATOM 1096 CA SER A 70 12.194 -1.035 -14.596 1.00 0.49 C ATOM 1097 C SER A 70 13.342 -0.185 -14.052 1.00 0.48 C ATOM 1098 O SER A 70 14.497 -0.609 -14.047 1.00 0.53 O ATOM 1099 CB SER A 70 12.071 -0.869 -16.114 1.00 0.57 C ATOM 1100 OG SER A 70 13.130 -1.528 -16.789 1.00 1.31 O ATOM 0 H SER A 70 10.268 -0.211 -14.538 1.00 0.46 H new ATOM 0 HA SER A 70 12.405 -2.084 -14.389 1.00 0.49 H new ATOM 0 HB2 SER A 70 11.116 -1.272 -16.450 1.00 0.57 H new ATOM 0 HB3 SER A 70 12.078 0.191 -16.368 1.00 0.57 H new ATOM 0 HG SER A 70 13.027 -1.408 -17.756 1.00 1.31 H new ATOM 1106 N GLN A 71 13.011 1.006 -13.571 1.00 0.49 N ATOM 1107 CA GLN A 71 13.995 1.885 -12.958 1.00 0.53 C ATOM 1108 C GLN A 71 14.426 1.320 -11.608 1.00 0.46 C ATOM 1109 O GLN A 71 15.581 1.441 -11.199 1.00 0.53 O ATOM 1110 CB GLN A 71 13.402 3.285 -12.775 1.00 0.63 C ATOM 1111 CG GLN A 71 14.354 4.274 -12.129 1.00 0.69 C ATOM 1112 CD GLN A 71 13.696 5.600 -11.798 1.00 0.83 C ATOM 1113 OE1 GLN A 71 14.343 6.644 -11.813 1.00 1.22 O ATOM 1114 NE2 GLN A 71 12.407 5.571 -11.482 1.00 0.82 N ATOM 0 H GLN A 71 12.065 1.386 -13.594 1.00 0.49 H new ATOM 0 HA GLN A 71 14.867 1.952 -13.609 1.00 0.53 H new ATOM 0 HB2 GLN A 71 13.098 3.671 -13.748 1.00 0.63 H new ATOM 0 HB3 GLN A 71 12.501 3.211 -12.166 1.00 0.63 H new ATOM 0 HG2 GLN A 71 14.758 3.837 -11.216 1.00 0.69 H new ATOM 0 HG3 GLN A 71 15.196 4.450 -12.798 1.00 0.69 H new ATOM 0 HE21 GLN A 71 11.902 4.685 -11.480 1.00 0.82 H new ATOM 0 HE22 GLN A 71 11.921 6.435 -11.241 1.00 0.82 H new ATOM 1123 N LEU A 72 13.485 0.674 -10.940 1.00 0.39 N ATOM 1124 CA LEU A 72 13.723 0.100 -9.623 1.00 0.33 C ATOM 1125 C LEU A 72 13.889 -1.411 -9.748 1.00 0.34 C ATOM 1126 O LEU A 72 13.728 -2.151 -8.783 1.00 0.37 O ATOM 1127 CB LEU A 72 12.552 0.446 -8.687 1.00 0.37 C ATOM 1128 CG LEU A 72 12.759 0.105 -7.208 1.00 0.46 C ATOM 1129 CD1 LEU A 72 14.030 0.748 -6.680 1.00 0.96 C ATOM 1130 CD2 LEU A 72 11.556 0.556 -6.394 1.00 0.92 C ATOM 0 H LEU A 72 12.538 0.532 -11.292 1.00 0.39 H new ATOM 0 HA LEU A 72 14.637 0.516 -9.199 1.00 0.33 H new ATOM 0 HB2 LEU A 72 12.349 1.514 -8.769 1.00 0.37 H new ATOM 0 HB3 LEU A 72 11.663 -0.076 -9.040 1.00 0.37 H new ATOM 0 HG LEU A 72 12.862 -0.976 -7.113 1.00 0.46 H new ATOM 0 HD11 LEU A 72 14.157 0.493 -5.628 1.00 0.96 H new ATOM 0 HD12 LEU A 72 14.886 0.383 -7.248 1.00 0.96 H new ATOM 0 HD13 LEU A 72 13.961 1.831 -6.785 1.00 0.96 H new ATOM 0 HD21 LEU A 72 11.714 0.309 -5.344 1.00 0.92 H new ATOM 0 HD22 LEU A 72 11.430 1.634 -6.498 1.00 0.92 H new ATOM 0 HD23 LEU A 72 10.661 0.049 -6.756 1.00 0.92 H new ATOM 1142 N HIS A 73 14.221 -1.855 -10.955 1.00 0.41 N ATOM 1143 CA HIS A 73 14.382 -3.273 -11.240 1.00 0.46 C ATOM 1144 C HIS A 73 15.507 -3.838 -10.381 1.00 0.41 C ATOM 1145 O HIS A 73 16.670 -3.457 -10.543 1.00 0.45 O ATOM 1146 CB HIS A 73 14.680 -3.476 -12.730 1.00 0.60 C ATOM 1147 CG HIS A 73 14.244 -4.807 -13.260 1.00 1.34 C ATOM 1148 ND1 HIS A 73 14.986 -5.545 -14.154 1.00 2.07 N ATOM 1149 CD2 HIS A 73 13.115 -5.517 -13.039 1.00 2.33 C ATOM 1150 CE1 HIS A 73 14.333 -6.649 -14.458 1.00 2.86 C ATOM 1151 NE2 HIS A 73 13.194 -6.657 -13.794 1.00 3.01 N ATOM 0 H HIS A 73 14.385 -1.246 -11.757 1.00 0.41 H new ATOM 0 HA HIS A 73 13.459 -3.802 -11.001 1.00 0.46 H new ATOM 0 HB2 HIS A 73 14.186 -2.689 -13.300 1.00 0.60 H new ATOM 0 HB3 HIS A 73 15.752 -3.364 -12.895 1.00 0.60 H new ATOM 0 HD2 HIS A 73 12.301 -5.237 -12.387 1.00 2.33 H new ATOM 0 HE1 HIS A 73 14.674 -7.417 -15.136 1.00 2.86 H new ATOM 0 HE2 HIS A 73 12.488 -7.392 -13.836 1.00 3.01 H new ATOM 1160 N ILE A 74 15.159 -4.726 -9.460 1.00 0.37 N ATOM 1161 CA ILE A 74 16.102 -5.183 -8.454 1.00 0.36 C ATOM 1162 C ILE A 74 17.185 -6.068 -9.074 1.00 0.45 C ATOM 1163 O ILE A 74 16.910 -6.914 -9.932 1.00 0.61 O ATOM 1164 CB ILE A 74 15.376 -5.926 -7.303 1.00 0.31 C ATOM 1165 CG1 ILE A 74 16.304 -6.099 -6.099 1.00 0.31 C ATOM 1166 CG2 ILE A 74 14.857 -7.281 -7.762 1.00 0.35 C ATOM 1167 CD1 ILE A 74 15.593 -6.589 -4.861 1.00 0.34 C ATOM 0 H ILE A 74 14.231 -5.143 -9.390 1.00 0.37 H new ATOM 0 HA ILE A 74 16.587 -4.303 -8.033 1.00 0.36 H new ATOM 0 HB ILE A 74 14.523 -5.317 -7.004 1.00 0.31 H new ATOM 0 HG12 ILE A 74 17.095 -6.803 -6.357 1.00 0.31 H new ATOM 0 HG13 ILE A 74 16.785 -5.146 -5.880 1.00 0.31 H new ATOM 0 HG21 ILE A 74 14.353 -7.777 -6.933 1.00 0.35 H new ATOM 0 HG22 ILE A 74 14.154 -7.142 -8.583 1.00 0.35 H new ATOM 0 HG23 ILE A 74 15.692 -7.895 -8.099 1.00 0.35 H new ATOM 0 HD11 ILE A 74 16.309 -6.690 -4.046 1.00 0.34 H new ATOM 0 HD12 ILE A 74 14.820 -5.874 -4.579 1.00 0.34 H new ATOM 0 HD13 ILE A 74 15.135 -7.557 -5.063 1.00 0.34 H new ATOM 1179 N THR A 75 18.420 -5.833 -8.664 1.00 0.61 N ATOM 1180 CA THR A 75 19.552 -6.591 -9.157 1.00 0.73 C ATOM 1181 C THR A 75 20.285 -7.253 -7.995 1.00 0.58 C ATOM 1182 O THR A 75 20.182 -6.792 -6.855 1.00 0.57 O ATOM 1183 CB THR A 75 20.521 -5.679 -9.940 1.00 1.02 C ATOM 1184 OG1 THR A 75 20.762 -4.468 -9.205 1.00 1.38 O ATOM 1185 CG2 THR A 75 19.961 -5.343 -11.315 1.00 1.56 C ATOM 0 H THR A 75 18.663 -5.114 -7.983 1.00 0.61 H new ATOM 0 HA THR A 75 19.181 -7.362 -9.832 1.00 0.73 H new ATOM 0 HB THR A 75 21.461 -6.216 -10.071 1.00 1.02 H new ATOM 0 HG1 THR A 75 21.379 -3.897 -9.709 1.00 1.38 H new ATOM 0 HG21 THR A 75 20.662 -4.700 -11.846 1.00 1.56 H new ATOM 0 HG22 THR A 75 19.811 -6.262 -11.881 1.00 1.56 H new ATOM 0 HG23 THR A 75 19.008 -4.826 -11.203 1.00 1.56 H new ATOM 1193 N PRO A 76 21.015 -8.351 -8.255 1.00 0.66 N ATOM 1194 CA PRO A 76 21.779 -9.050 -7.218 1.00 0.73 C ATOM 1195 C PRO A 76 22.753 -8.117 -6.502 1.00 0.72 C ATOM 1196 O PRO A 76 23.796 -7.747 -7.048 1.00 0.81 O ATOM 1197 CB PRO A 76 22.536 -10.132 -7.991 1.00 0.93 C ATOM 1198 CG PRO A 76 21.736 -10.344 -9.228 1.00 1.06 C ATOM 1199 CD PRO A 76 21.142 -9.006 -9.569 1.00 0.90 C ATOM 0 HA PRO A 76 21.136 -9.451 -6.435 1.00 0.73 H new ATOM 0 HB2 PRO A 76 23.551 -9.813 -8.226 1.00 0.93 H new ATOM 0 HB3 PRO A 76 22.617 -11.050 -7.410 1.00 0.93 H new ATOM 0 HG2 PRO A 76 22.363 -10.711 -10.040 1.00 1.06 H new ATOM 0 HG3 PRO A 76 20.956 -11.088 -9.066 1.00 1.06 H new ATOM 0 HD2 PRO A 76 21.786 -8.439 -10.241 1.00 0.90 H new ATOM 0 HD3 PRO A 76 20.176 -9.108 -10.063 1.00 0.90 H new ATOM 1207 N GLY A 77 22.389 -7.715 -5.292 1.00 0.86 N ATOM 1208 CA GLY A 77 23.218 -6.804 -4.534 1.00 1.10 C ATOM 1209 C GLY A 77 22.825 -5.356 -4.752 1.00 1.00 C ATOM 1210 O GLY A 77 23.672 -4.512 -5.049 1.00 1.32 O ATOM 0 H GLY A 77 21.532 -8.005 -4.822 1.00 0.86 H new ATOM 0 HA2 GLY A 77 23.142 -7.044 -3.473 1.00 1.10 H new ATOM 0 HA3 GLY A 77 24.261 -6.942 -4.818 1.00 1.10 H new ATOM 1214 N THR A 78 21.535 -5.071 -4.631 1.00 0.85 N ATOM 1215 CA THR A 78 21.034 -3.709 -4.764 1.00 0.82 C ATOM 1216 C THR A 78 21.357 -2.905 -3.505 1.00 0.85 C ATOM 1217 O THR A 78 20.797 -3.150 -2.438 1.00 1.52 O ATOM 1218 CB THR A 78 19.510 -3.698 -5.010 1.00 0.90 C ATOM 1219 OG1 THR A 78 19.196 -4.449 -6.189 1.00 1.52 O ATOM 1220 CG2 THR A 78 18.991 -2.275 -5.168 1.00 1.15 C ATOM 0 H THR A 78 20.814 -5.767 -4.440 1.00 0.85 H new ATOM 0 HA THR A 78 21.525 -3.253 -5.623 1.00 0.82 H new ATOM 0 HB THR A 78 19.028 -4.153 -4.144 1.00 0.90 H new ATOM 0 HG1 THR A 78 19.420 -5.392 -6.045 1.00 1.52 H new ATOM 0 HG21 THR A 78 17.915 -2.297 -5.340 1.00 1.15 H new ATOM 0 HG22 THR A 78 19.202 -1.708 -4.261 1.00 1.15 H new ATOM 0 HG23 THR A 78 19.484 -1.800 -6.016 1.00 1.15 H new ATOM 1228 N ALA A 79 22.292 -1.975 -3.629 1.00 0.68 N ATOM 1229 CA ALA A 79 22.713 -1.158 -2.500 1.00 0.73 C ATOM 1230 C ALA A 79 21.631 -0.151 -2.114 1.00 0.62 C ATOM 1231 O ALA A 79 20.743 0.157 -2.915 1.00 0.56 O ATOM 1232 CB ALA A 79 24.011 -0.438 -2.837 1.00 0.85 C ATOM 0 H ALA A 79 22.775 -1.767 -4.503 1.00 0.68 H new ATOM 0 HA ALA A 79 22.879 -1.814 -1.645 1.00 0.73 H new ATOM 0 HB1 ALA A 79 24.320 0.171 -1.988 1.00 0.85 H new ATOM 0 HB2 ALA A 79 24.787 -1.171 -3.059 1.00 0.85 H new ATOM 0 HB3 ALA A 79 23.857 0.202 -3.706 1.00 0.85 H new ATOM 1238 N TYR A 80 21.708 0.362 -0.887 1.00 0.63 N ATOM 1239 CA TYR A 80 20.771 1.379 -0.415 1.00 0.58 C ATOM 1240 C TYR A 80 20.784 2.590 -1.340 1.00 0.50 C ATOM 1241 O TYR A 80 19.740 3.170 -1.626 1.00 0.46 O ATOM 1242 CB TYR A 80 21.107 1.826 1.015 1.00 0.67 C ATOM 1243 CG TYR A 80 20.811 0.793 2.086 1.00 0.80 C ATOM 1244 CD1 TYR A 80 21.727 -0.205 2.393 1.00 1.14 C ATOM 1245 CD2 TYR A 80 19.618 0.826 2.800 1.00 0.89 C ATOM 1246 CE1 TYR A 80 21.464 -1.139 3.377 1.00 1.55 C ATOM 1247 CE2 TYR A 80 19.348 -0.109 3.786 1.00 1.24 C ATOM 1248 CZ TYR A 80 20.275 -1.088 4.070 1.00 1.58 C ATOM 1249 OH TYR A 80 20.019 -2.018 5.055 1.00 2.03 O ATOM 0 H TYR A 80 22.411 0.089 -0.201 1.00 0.63 H new ATOM 0 HA TYR A 80 19.777 0.933 -0.416 1.00 0.58 H new ATOM 0 HB2 TYR A 80 22.165 2.085 1.061 1.00 0.67 H new ATOM 0 HB3 TYR A 80 20.546 2.733 1.239 1.00 0.67 H new ATOM 0 HD1 TYR A 80 22.661 -0.252 1.853 1.00 1.14 H new ATOM 0 HD2 TYR A 80 18.890 1.593 2.582 1.00 0.89 H new ATOM 0 HE1 TYR A 80 22.189 -1.907 3.602 1.00 1.55 H new ATOM 0 HE2 TYR A 80 18.415 -0.071 4.329 1.00 1.24 H new ATOM 0 HH TYR A 80 19.139 -1.844 5.449 1.00 2.03 H new ATOM 1259 N GLN A 81 21.968 2.947 -1.825 1.00 0.56 N ATOM 1260 CA GLN A 81 22.122 4.098 -2.705 1.00 0.59 C ATOM 1261 C GLN A 81 21.384 3.880 -4.028 1.00 0.54 C ATOM 1262 O GLN A 81 20.854 4.825 -4.616 1.00 0.63 O ATOM 1263 CB GLN A 81 23.605 4.372 -2.959 1.00 0.72 C ATOM 1264 CG GLN A 81 23.870 5.658 -3.730 1.00 0.84 C ATOM 1265 CD GLN A 81 23.288 6.882 -3.044 1.00 1.40 C ATOM 1266 OE1 GLN A 81 23.940 7.512 -2.213 1.00 2.01 O ATOM 1267 NE2 GLN A 81 22.058 7.230 -3.392 1.00 2.18 N ATOM 0 H GLN A 81 22.837 2.454 -1.622 1.00 0.56 H new ATOM 0 HA GLN A 81 21.682 4.966 -2.214 1.00 0.59 H new ATOM 0 HB2 GLN A 81 24.125 4.420 -2.002 1.00 0.72 H new ATOM 0 HB3 GLN A 81 24.030 3.534 -3.512 1.00 0.72 H new ATOM 0 HG2 GLN A 81 24.945 5.790 -3.850 1.00 0.84 H new ATOM 0 HG3 GLN A 81 23.446 5.571 -4.730 1.00 0.84 H new ATOM 0 HE21 GLN A 81 21.550 6.681 -4.086 1.00 2.18 H new ATOM 0 HE22 GLN A 81 21.619 8.047 -2.966 1.00 2.18 H new ATOM 1276 N SER A 82 21.339 2.634 -4.485 1.00 0.48 N ATOM 1277 CA SER A 82 20.631 2.294 -5.712 1.00 0.47 C ATOM 1278 C SER A 82 19.128 2.489 -5.520 1.00 0.40 C ATOM 1279 O SER A 82 18.449 3.079 -6.362 1.00 0.42 O ATOM 1280 CB SER A 82 20.917 0.842 -6.104 1.00 0.55 C ATOM 1281 OG SER A 82 22.307 0.552 -6.049 1.00 1.17 O ATOM 0 H SER A 82 21.785 1.842 -4.023 1.00 0.48 H new ATOM 0 HA SER A 82 20.979 2.951 -6.509 1.00 0.47 H new ATOM 0 HB2 SER A 82 20.377 0.171 -5.436 1.00 0.55 H new ATOM 0 HB3 SER A 82 20.545 0.656 -7.112 1.00 0.55 H new ATOM 0 HG SER A 82 22.456 -0.383 -6.303 1.00 1.17 H new ATOM 1287 N PHE A 83 18.630 2.002 -4.390 1.00 0.36 N ATOM 1288 CA PHE A 83 17.211 2.074 -4.064 1.00 0.33 C ATOM 1289 C PHE A 83 16.806 3.516 -3.755 1.00 0.31 C ATOM 1290 O PHE A 83 15.755 3.987 -4.197 1.00 0.32 O ATOM 1291 CB PHE A 83 16.924 1.157 -2.862 1.00 0.35 C ATOM 1292 CG PHE A 83 15.464 0.948 -2.554 1.00 0.33 C ATOM 1293 CD1 PHE A 83 14.724 -0.005 -3.241 1.00 0.38 C ATOM 1294 CD2 PHE A 83 14.836 1.689 -1.563 1.00 0.32 C ATOM 1295 CE1 PHE A 83 13.389 -0.211 -2.946 1.00 0.41 C ATOM 1296 CE2 PHE A 83 13.501 1.487 -1.267 1.00 0.34 C ATOM 1297 CZ PHE A 83 12.777 0.536 -1.960 1.00 0.38 C ATOM 0 H PHE A 83 19.197 1.547 -3.675 1.00 0.36 H new ATOM 0 HA PHE A 83 16.623 1.739 -4.919 1.00 0.33 H new ATOM 0 HB2 PHE A 83 17.383 0.186 -3.047 1.00 0.35 H new ATOM 0 HB3 PHE A 83 17.409 1.576 -1.981 1.00 0.35 H new ATOM 0 HD1 PHE A 83 15.197 -0.592 -4.015 1.00 0.38 H new ATOM 0 HD2 PHE A 83 15.397 2.433 -1.016 1.00 0.32 H new ATOM 0 HE1 PHE A 83 12.825 -0.956 -3.487 1.00 0.41 H new ATOM 0 HE2 PHE A 83 13.024 2.072 -0.495 1.00 0.34 H new ATOM 0 HZ PHE A 83 11.734 0.377 -1.730 1.00 0.38 H new ATOM 1307 N GLU A 84 17.669 4.215 -3.024 1.00 0.34 N ATOM 1308 CA GLU A 84 17.407 5.591 -2.608 1.00 0.39 C ATOM 1309 C GLU A 84 17.226 6.506 -3.815 1.00 0.37 C ATOM 1310 O GLU A 84 16.296 7.302 -3.851 1.00 0.40 O ATOM 1311 CB GLU A 84 18.556 6.113 -1.733 1.00 0.51 C ATOM 1312 CG GLU A 84 18.321 7.509 -1.176 1.00 0.64 C ATOM 1313 CD GLU A 84 19.547 8.072 -0.488 1.00 0.90 C ATOM 1314 OE1 GLU A 84 19.889 7.589 0.611 1.00 0.95 O ATOM 1315 OE2 GLU A 84 20.172 9.003 -1.038 1.00 1.58 O ATOM 0 H GLU A 84 18.565 3.847 -2.704 1.00 0.34 H new ATOM 0 HA GLU A 84 16.483 5.593 -2.030 1.00 0.39 H new ATOM 0 HB2 GLU A 84 18.711 5.423 -0.904 1.00 0.51 H new ATOM 0 HB3 GLU A 84 19.474 6.117 -2.320 1.00 0.51 H new ATOM 0 HG2 GLU A 84 18.025 8.175 -1.986 1.00 0.64 H new ATOM 0 HG3 GLU A 84 17.492 7.480 -0.468 1.00 0.64 H new ATOM 1322 N GLN A 85 18.098 6.364 -4.812 1.00 0.37 N ATOM 1323 CA GLN A 85 18.062 7.229 -5.993 1.00 0.42 C ATOM 1324 C GLN A 85 16.716 7.154 -6.702 1.00 0.38 C ATOM 1325 O GLN A 85 16.279 8.115 -7.330 1.00 0.46 O ATOM 1326 CB GLN A 85 19.173 6.856 -6.974 1.00 0.50 C ATOM 1327 CG GLN A 85 20.561 7.279 -6.521 1.00 0.61 C ATOM 1328 CD GLN A 85 21.640 6.883 -7.507 1.00 1.44 C ATOM 1329 OE1 GLN A 85 21.951 7.631 -8.432 1.00 1.90 O ATOM 1330 NE2 GLN A 85 22.218 5.705 -7.317 1.00 2.16 N ATOM 0 H GLN A 85 18.837 5.661 -4.827 1.00 0.37 H new ATOM 0 HA GLN A 85 18.215 8.251 -5.645 1.00 0.42 H new ATOM 0 HB2 GLN A 85 19.164 5.777 -7.125 1.00 0.50 H new ATOM 0 HB3 GLN A 85 18.961 7.315 -7.940 1.00 0.50 H new ATOM 0 HG2 GLN A 85 20.580 8.360 -6.381 1.00 0.61 H new ATOM 0 HG3 GLN A 85 20.776 6.829 -5.552 1.00 0.61 H new ATOM 0 HE21 GLN A 85 21.929 5.115 -6.536 1.00 2.16 H new ATOM 0 HE22 GLN A 85 22.951 5.388 -7.951 1.00 2.16 H new ATOM 1339 N VAL A 86 16.062 6.013 -6.592 1.00 0.31 N ATOM 1340 CA VAL A 86 14.786 5.803 -7.243 1.00 0.31 C ATOM 1341 C VAL A 86 13.664 6.370 -6.395 1.00 0.29 C ATOM 1342 O VAL A 86 12.903 7.235 -6.831 1.00 0.32 O ATOM 1343 CB VAL A 86 14.525 4.304 -7.459 1.00 0.33 C ATOM 1344 CG1 VAL A 86 13.199 4.089 -8.167 1.00 0.38 C ATOM 1345 CG2 VAL A 86 15.666 3.667 -8.233 1.00 0.36 C ATOM 0 H VAL A 86 16.397 5.214 -6.054 1.00 0.31 H new ATOM 0 HA VAL A 86 14.818 6.310 -8.207 1.00 0.31 H new ATOM 0 HB VAL A 86 14.469 3.820 -6.484 1.00 0.33 H new ATOM 0 HG11 VAL A 86 13.032 3.021 -8.311 1.00 0.38 H new ATOM 0 HG12 VAL A 86 12.392 4.504 -7.563 1.00 0.38 H new ATOM 0 HG13 VAL A 86 13.219 4.587 -9.136 1.00 0.38 H new ATOM 0 HG21 VAL A 86 15.461 2.606 -8.375 1.00 0.36 H new ATOM 0 HG22 VAL A 86 15.762 4.151 -9.205 1.00 0.36 H new ATOM 0 HG23 VAL A 86 16.595 3.786 -7.675 1.00 0.36 H new ATOM 1355 N VAL A 87 13.577 5.873 -5.174 1.00 0.28 N ATOM 1356 CA VAL A 87 12.485 6.212 -4.284 1.00 0.32 C ATOM 1357 C VAL A 87 12.550 7.669 -3.829 1.00 0.35 C ATOM 1358 O VAL A 87 11.549 8.239 -3.394 1.00 0.37 O ATOM 1359 CB VAL A 87 12.462 5.270 -3.074 1.00 0.38 C ATOM 1360 CG1 VAL A 87 12.440 3.832 -3.555 1.00 0.38 C ATOM 1361 CG2 VAL A 87 13.652 5.513 -2.165 1.00 0.41 C ATOM 0 H VAL A 87 14.258 5.227 -4.775 1.00 0.28 H new ATOM 0 HA VAL A 87 11.559 6.087 -4.844 1.00 0.32 H new ATOM 0 HB VAL A 87 11.562 5.469 -2.493 1.00 0.38 H new ATOM 0 HG11 VAL A 87 12.424 3.161 -2.696 1.00 0.38 H new ATOM 0 HG12 VAL A 87 11.551 3.665 -4.163 1.00 0.38 H new ATOM 0 HG13 VAL A 87 13.330 3.635 -4.153 1.00 0.38 H new ATOM 0 HG21 VAL A 87 13.607 4.830 -1.317 1.00 0.41 H new ATOM 0 HG22 VAL A 87 14.575 5.342 -2.720 1.00 0.41 H new ATOM 0 HG23 VAL A 87 13.630 6.541 -1.804 1.00 0.41 H new ATOM 1371 N ASN A 88 13.724 8.274 -3.952 1.00 0.38 N ATOM 1372 CA ASN A 88 13.885 9.694 -3.651 1.00 0.47 C ATOM 1373 C ASN A 88 13.084 10.522 -4.645 1.00 0.44 C ATOM 1374 O ASN A 88 12.538 11.569 -4.305 1.00 0.45 O ATOM 1375 CB ASN A 88 15.362 10.114 -3.711 1.00 0.61 C ATOM 1376 CG ASN A 88 15.581 11.556 -3.281 1.00 0.78 C ATOM 1377 OD1 ASN A 88 14.887 12.070 -2.401 1.00 0.87 O ATOM 1378 ND2 ASN A 88 16.539 12.227 -3.907 1.00 0.97 N ATOM 0 H ASN A 88 14.578 7.807 -4.257 1.00 0.38 H new ATOM 0 HA ASN A 88 13.520 9.868 -2.639 1.00 0.47 H new ATOM 0 HB2 ASN A 88 15.949 9.455 -3.071 1.00 0.61 H new ATOM 0 HB3 ASN A 88 15.732 9.982 -4.728 1.00 0.61 H new ATOM 0 HD21 ASN A 88 16.721 13.201 -3.665 1.00 0.97 H new ATOM 0 HD22 ASN A 88 17.093 11.769 -4.630 1.00 0.97 H new ATOM 1385 N GLU A 89 12.978 10.019 -5.872 1.00 0.42 N ATOM 1386 CA GLU A 89 12.285 10.743 -6.927 1.00 0.45 C ATOM 1387 C GLU A 89 10.777 10.678 -6.733 1.00 0.38 C ATOM 1388 O GLU A 89 10.032 11.422 -7.368 1.00 0.43 O ATOM 1389 CB GLU A 89 12.675 10.214 -8.309 1.00 0.54 C ATOM 1390 CG GLU A 89 14.128 10.482 -8.669 1.00 0.65 C ATOM 1391 CD GLU A 89 14.397 10.332 -10.150 1.00 1.23 C ATOM 1392 OE1 GLU A 89 13.793 11.073 -10.950 1.00 1.28 O ATOM 1393 OE2 GLU A 89 15.201 9.450 -10.519 1.00 2.04 O ATOM 0 H GLU A 89 13.362 9.118 -6.157 1.00 0.42 H new ATOM 0 HA GLU A 89 12.591 11.787 -6.867 1.00 0.45 H new ATOM 0 HB2 GLU A 89 12.492 9.140 -8.344 1.00 0.54 H new ATOM 0 HB3 GLU A 89 12.032 10.672 -9.060 1.00 0.54 H new ATOM 0 HG2 GLU A 89 14.396 11.491 -8.355 1.00 0.65 H new ATOM 0 HG3 GLU A 89 14.768 9.795 -8.116 1.00 0.65 H new ATOM 1400 N LEU A 90 10.328 9.795 -5.847 1.00 0.31 N ATOM 1401 CA LEU A 90 8.921 9.744 -5.477 1.00 0.27 C ATOM 1402 C LEU A 90 8.585 10.977 -4.656 1.00 0.25 C ATOM 1403 O LEU A 90 7.571 11.636 -4.877 1.00 0.26 O ATOM 1404 CB LEU A 90 8.611 8.488 -4.661 1.00 0.26 C ATOM 1405 CG LEU A 90 9.018 7.165 -5.300 1.00 0.30 C ATOM 1406 CD1 LEU A 90 8.765 6.024 -4.334 1.00 0.31 C ATOM 1407 CD2 LEU A 90 8.263 6.935 -6.596 1.00 0.37 C ATOM 0 H LEU A 90 10.916 9.109 -5.375 1.00 0.31 H new ATOM 0 HA LEU A 90 8.320 9.716 -6.386 1.00 0.27 H new ATOM 0 HB2 LEU A 90 9.110 8.572 -3.696 1.00 0.26 H new ATOM 0 HB3 LEU A 90 7.539 8.461 -4.464 1.00 0.26 H new ATOM 0 HG LEU A 90 10.082 7.206 -5.531 1.00 0.30 H new ATOM 0 HD11 LEU A 90 9.058 5.082 -4.798 1.00 0.31 H new ATOM 0 HD12 LEU A 90 9.349 6.179 -3.427 1.00 0.31 H new ATOM 0 HD13 LEU A 90 7.705 5.989 -4.081 1.00 0.31 H new ATOM 0 HD21 LEU A 90 8.571 5.985 -7.033 1.00 0.37 H new ATOM 0 HD22 LEU A 90 7.192 6.912 -6.394 1.00 0.37 H new ATOM 0 HD23 LEU A 90 8.483 7.743 -7.294 1.00 0.37 H new ATOM 1419 N PHE A 91 9.471 11.290 -3.720 1.00 0.27 N ATOM 1420 CA PHE A 91 9.314 12.455 -2.865 1.00 0.29 C ATOM 1421 C PHE A 91 9.649 13.715 -3.655 1.00 0.33 C ATOM 1422 O PHE A 91 9.000 14.753 -3.513 1.00 0.33 O ATOM 1423 CB PHE A 91 10.235 12.336 -1.640 1.00 0.35 C ATOM 1424 CG PHE A 91 9.824 13.185 -0.468 1.00 0.37 C ATOM 1425 CD1 PHE A 91 10.115 14.539 -0.450 1.00 0.46 C ATOM 1426 CD2 PHE A 91 9.149 12.635 0.610 1.00 0.37 C ATOM 1427 CE1 PHE A 91 9.744 15.328 0.621 1.00 0.53 C ATOM 1428 CE2 PHE A 91 8.774 13.421 1.684 1.00 0.43 C ATOM 1429 CZ PHE A 91 9.056 14.739 1.704 1.00 0.50 C ATOM 0 H PHE A 91 10.314 10.746 -3.534 1.00 0.27 H new ATOM 0 HA PHE A 91 8.282 12.513 -2.520 1.00 0.29 H new ATOM 0 HB2 PHE A 91 10.266 11.293 -1.324 1.00 0.35 H new ATOM 0 HB3 PHE A 91 11.248 12.611 -1.934 1.00 0.35 H new ATOM 0 HD1 PHE A 91 10.638 14.983 -1.284 1.00 0.46 H new ATOM 0 HD2 PHE A 91 8.913 11.581 0.611 1.00 0.37 H new ATOM 0 HE1 PHE A 91 9.977 16.382 0.630 1.00 0.53 H new ATOM 0 HE2 PHE A 91 8.250 12.974 2.516 1.00 0.43 H new ATOM 0 HZ PHE A 91 8.756 15.343 2.547 1.00 0.50 H new ATOM 1439 N ARG A 92 10.646 13.591 -4.523 1.00 0.39 N ATOM 1440 CA ARG A 92 11.165 14.717 -5.288 1.00 0.49 C ATOM 1441 C ARG A 92 10.175 15.173 -6.361 1.00 0.51 C ATOM 1442 O ARG A 92 10.237 16.307 -6.829 1.00 0.62 O ATOM 1443 CB ARG A 92 12.497 14.323 -5.932 1.00 0.56 C ATOM 1444 CG ARG A 92 13.309 15.497 -6.451 1.00 1.24 C ATOM 1445 CD ARG A 92 13.677 16.447 -5.323 1.00 1.54 C ATOM 1446 NE ARG A 92 14.678 17.426 -5.730 1.00 2.30 N ATOM 1447 CZ ARG A 92 15.118 18.408 -4.944 1.00 2.99 C ATOM 1448 NH1 ARG A 92 14.610 18.572 -3.727 1.00 3.13 N ATOM 1449 NH2 ARG A 92 16.057 19.231 -5.384 1.00 3.95 N ATOM 0 H ARG A 92 11.117 12.707 -4.716 1.00 0.39 H new ATOM 0 HA ARG A 92 11.318 15.553 -4.606 1.00 0.49 H new ATOM 0 HB2 ARG A 92 13.094 13.778 -5.201 1.00 0.56 H new ATOM 0 HB3 ARG A 92 12.300 13.639 -6.757 1.00 0.56 H new ATOM 0 HG2 ARG A 92 14.215 15.132 -6.934 1.00 1.24 H new ATOM 0 HG3 ARG A 92 12.737 16.032 -7.210 1.00 1.24 H new ATOM 0 HD2 ARG A 92 12.782 16.966 -4.981 1.00 1.54 H new ATOM 0 HD3 ARG A 92 14.055 15.874 -4.477 1.00 1.54 H new ATOM 0 HE ARG A 92 15.064 17.355 -6.671 1.00 2.30 H new ATOM 0 HH11 ARG A 92 13.880 17.945 -3.390 1.00 3.13 H new ATOM 0 HH12 ARG A 92 14.950 19.325 -3.129 1.00 3.13 H new ATOM 0 HH21 ARG A 92 16.441 19.112 -6.321 1.00 3.95 H new ATOM 0 HH22 ARG A 92 16.397 19.984 -4.786 1.00 3.95 H new ATOM 1463 N ASP A 93 9.256 14.291 -6.737 1.00 0.46 N ATOM 1464 CA ASP A 93 8.265 14.608 -7.769 1.00 0.53 C ATOM 1465 C ASP A 93 7.105 15.403 -7.173 1.00 0.50 C ATOM 1466 O ASP A 93 6.180 15.800 -7.879 1.00 0.60 O ATOM 1467 CB ASP A 93 7.736 13.317 -8.424 1.00 0.62 C ATOM 1468 CG ASP A 93 6.826 13.577 -9.616 1.00 0.90 C ATOM 1469 OD1 ASP A 93 7.347 13.814 -10.728 1.00 1.14 O ATOM 1470 OD2 ASP A 93 5.588 13.534 -9.453 1.00 1.11 O ATOM 0 H ASP A 93 9.173 13.352 -6.346 1.00 0.46 H new ATOM 0 HA ASP A 93 8.751 15.216 -8.532 1.00 0.53 H new ATOM 0 HB2 ASP A 93 8.581 12.709 -8.746 1.00 0.62 H new ATOM 0 HB3 ASP A 93 7.191 12.737 -7.679 1.00 0.62 H new ATOM 1475 N GLY A 94 7.169 15.670 -5.876 1.00 0.45 N ATOM 1476 CA GLY A 94 6.048 16.310 -5.218 1.00 0.47 C ATOM 1477 C GLY A 94 5.183 15.309 -4.486 1.00 0.39 C ATOM 1478 O GLY A 94 3.962 15.460 -4.463 1.00 0.42 O ATOM 0 H GLY A 94 7.965 15.459 -5.275 1.00 0.45 H new ATOM 0 HA2 GLY A 94 6.417 17.056 -4.514 1.00 0.47 H new ATOM 0 HA3 GLY A 94 5.446 16.839 -5.957 1.00 0.47 H new ATOM 1482 N VAL A 95 5.846 14.287 -3.921 1.00 0.32 N ATOM 1483 CA VAL A 95 5.213 13.109 -3.303 1.00 0.26 C ATOM 1484 C VAL A 95 3.745 13.307 -2.928 1.00 0.25 C ATOM 1485 O VAL A 95 3.401 14.051 -2.013 1.00 0.29 O ATOM 1486 CB VAL A 95 6.000 12.651 -2.049 1.00 0.31 C ATOM 1487 CG1 VAL A 95 6.203 13.804 -1.077 1.00 0.40 C ATOM 1488 CG2 VAL A 95 5.299 11.480 -1.365 1.00 0.33 C ATOM 0 H VAL A 95 6.865 14.256 -3.880 1.00 0.32 H new ATOM 0 HA VAL A 95 5.241 12.339 -4.074 1.00 0.26 H new ATOM 0 HB VAL A 95 6.983 12.313 -2.377 1.00 0.31 H new ATOM 0 HG11 VAL A 95 6.758 13.453 -0.207 1.00 0.40 H new ATOM 0 HG12 VAL A 95 6.763 14.600 -1.568 1.00 0.40 H new ATOM 0 HG13 VAL A 95 5.233 14.187 -0.759 1.00 0.40 H new ATOM 0 HG21 VAL A 95 5.870 11.176 -0.488 1.00 0.33 H new ATOM 0 HG22 VAL A 95 4.298 11.784 -1.059 1.00 0.33 H new ATOM 0 HG23 VAL A 95 5.228 10.643 -2.059 1.00 0.33 H new ATOM 1498 N ASN A 96 2.889 12.647 -3.679 1.00 0.24 N ATOM 1499 CA ASN A 96 1.466 12.622 -3.393 1.00 0.29 C ATOM 1500 C ASN A 96 1.126 11.295 -2.724 1.00 0.23 C ATOM 1501 O ASN A 96 1.996 10.428 -2.598 1.00 0.21 O ATOM 1502 CB ASN A 96 0.653 12.803 -4.686 1.00 0.41 C ATOM 1503 CG ASN A 96 0.791 11.630 -5.650 1.00 1.33 C ATOM 1504 OD1 ASN A 96 1.796 10.924 -5.650 1.00 2.13 O ATOM 1505 ND2 ASN A 96 -0.212 11.418 -6.489 1.00 2.00 N ATOM 0 H ASN A 96 3.157 12.112 -4.505 1.00 0.24 H new ATOM 0 HA ASN A 96 1.211 13.444 -2.724 1.00 0.29 H new ATOM 0 HB2 ASN A 96 -0.399 12.934 -4.431 1.00 0.41 H new ATOM 0 HB3 ASN A 96 0.976 13.716 -5.186 1.00 0.41 H new ATOM 0 HD21 ASN A 96 -0.163 10.651 -7.159 1.00 2.00 H new ATOM 0 HD22 ASN A 96 -1.034 12.022 -6.465 1.00 2.00 H new ATOM 1512 N TRP A 97 -0.120 11.120 -2.302 1.00 0.25 N ATOM 1513 CA TRP A 97 -0.531 9.868 -1.666 1.00 0.24 C ATOM 1514 C TRP A 97 -0.339 8.683 -2.618 1.00 0.25 C ATOM 1515 O TRP A 97 -0.113 7.553 -2.181 1.00 0.25 O ATOM 1516 CB TRP A 97 -1.988 9.936 -1.192 1.00 0.27 C ATOM 1517 CG TRP A 97 -2.222 10.944 -0.100 1.00 0.28 C ATOM 1518 CD1 TRP A 97 -2.997 12.068 -0.174 1.00 0.32 C ATOM 1519 CD2 TRP A 97 -1.676 10.921 1.228 1.00 0.27 C ATOM 1520 NE1 TRP A 97 -2.967 12.741 1.023 1.00 0.34 N ATOM 1521 CE2 TRP A 97 -2.163 12.060 1.897 1.00 0.30 C ATOM 1522 CE3 TRP A 97 -0.824 10.051 1.918 1.00 0.26 C ATOM 1523 CZ2 TRP A 97 -1.828 12.351 3.217 1.00 0.32 C ATOM 1524 CZ3 TRP A 97 -0.493 10.342 3.230 1.00 0.27 C ATOM 1525 CH2 TRP A 97 -0.995 11.483 3.866 1.00 0.30 C ATOM 0 H TRP A 97 -0.859 11.819 -2.386 1.00 0.25 H new ATOM 0 HA TRP A 97 0.105 9.720 -0.793 1.00 0.24 H new ATOM 0 HB2 TRP A 97 -2.626 10.179 -2.042 1.00 0.27 H new ATOM 0 HB3 TRP A 97 -2.292 8.951 -0.837 1.00 0.27 H new ATOM 0 HD1 TRP A 97 -3.552 12.381 -1.046 1.00 0.32 H new ATOM 0 HE1 TRP A 97 -3.464 13.608 1.228 1.00 0.34 H new ATOM 0 HE3 TRP A 97 -0.432 9.168 1.435 1.00 0.26 H new ATOM 0 HZ2 TRP A 97 -2.213 13.231 3.710 1.00 0.32 H new ATOM 0 HZ3 TRP A 97 0.164 9.677 3.772 1.00 0.27 H new ATOM 0 HH2 TRP A 97 -0.719 11.682 4.891 1.00 0.30 H new ATOM 1536 N GLY A 98 -0.399 8.955 -3.920 1.00 0.27 N ATOM 1537 CA GLY A 98 -0.221 7.912 -4.915 1.00 0.29 C ATOM 1538 C GLY A 98 1.199 7.375 -4.961 1.00 0.26 C ATOM 1539 O GLY A 98 1.412 6.208 -5.283 1.00 0.27 O ATOM 0 H GLY A 98 -0.569 9.885 -4.304 1.00 0.27 H new ATOM 0 HA2 GLY A 98 -0.907 7.092 -4.702 1.00 0.29 H new ATOM 0 HA3 GLY A 98 -0.488 8.304 -5.897 1.00 0.29 H new ATOM 1543 N ARG A 99 2.170 8.218 -4.628 1.00 0.26 N ATOM 1544 CA ARG A 99 3.574 7.802 -4.632 1.00 0.25 C ATOM 1545 C ARG A 99 3.846 6.852 -3.481 1.00 0.21 C ATOM 1546 O ARG A 99 4.698 5.974 -3.583 1.00 0.20 O ATOM 1547 CB ARG A 99 4.518 9.006 -4.556 1.00 0.30 C ATOM 1548 CG ARG A 99 4.617 9.790 -5.856 1.00 0.70 C ATOM 1549 CD ARG A 99 5.188 8.942 -6.986 1.00 1.40 C ATOM 1550 NE ARG A 99 5.115 9.633 -8.271 1.00 1.74 N ATOM 1551 CZ ARG A 99 6.029 9.531 -9.236 1.00 2.46 C ATOM 1552 NH1 ARG A 99 7.088 8.745 -9.079 1.00 3.06 N ATOM 1553 NH2 ARG A 99 5.876 10.207 -10.366 1.00 2.98 N ATOM 0 H ARG A 99 2.016 9.188 -4.353 1.00 0.26 H new ATOM 0 HA ARG A 99 3.764 7.287 -5.574 1.00 0.25 H new ATOM 0 HB2 ARG A 99 4.178 9.674 -3.765 1.00 0.30 H new ATOM 0 HB3 ARG A 99 5.512 8.659 -4.275 1.00 0.30 H new ATOM 0 HG2 ARG A 99 3.629 10.153 -6.138 1.00 0.70 H new ATOM 0 HG3 ARG A 99 5.247 10.666 -5.705 1.00 0.70 H new ATOM 0 HD2 ARG A 99 6.226 8.693 -6.765 1.00 1.40 H new ATOM 0 HD3 ARG A 99 4.641 8.001 -7.047 1.00 1.40 H new ATOM 0 HE ARG A 99 4.309 10.235 -8.442 1.00 1.74 H new ATOM 0 HH11 ARG A 99 7.206 8.215 -8.216 1.00 3.06 H new ATOM 0 HH12 ARG A 99 7.783 8.672 -9.822 1.00 3.06 H new ATOM 0 HH21 ARG A 99 5.060 10.804 -10.496 1.00 2.98 H new ATOM 0 HH22 ARG A 99 6.575 10.130 -11.105 1.00 2.98 H new ATOM 1567 N ILE A 100 3.110 7.026 -2.392 1.00 0.22 N ATOM 1568 CA ILE A 100 3.188 6.110 -1.268 1.00 0.21 C ATOM 1569 C ILE A 100 2.655 4.750 -1.694 1.00 0.20 C ATOM 1570 O ILE A 100 3.276 3.717 -1.446 1.00 0.19 O ATOM 1571 CB ILE A 100 2.387 6.634 -0.058 1.00 0.24 C ATOM 1572 CG1 ILE A 100 2.986 7.950 0.439 1.00 0.26 C ATOM 1573 CG2 ILE A 100 2.356 5.601 1.057 1.00 0.24 C ATOM 1574 CD1 ILE A 100 2.356 8.461 1.714 1.00 0.30 C ATOM 0 H ILE A 100 2.452 7.795 -2.265 1.00 0.22 H new ATOM 0 HA ILE A 100 4.231 6.023 -0.963 1.00 0.21 H new ATOM 0 HB ILE A 100 1.360 6.817 -0.374 1.00 0.24 H new ATOM 0 HG12 ILE A 100 4.055 7.814 0.602 1.00 0.26 H new ATOM 0 HG13 ILE A 100 2.876 8.706 -0.339 1.00 0.26 H new ATOM 0 HG21 ILE A 100 1.786 5.992 1.900 1.00 0.24 H new ATOM 0 HG22 ILE A 100 1.886 4.687 0.694 1.00 0.24 H new ATOM 0 HG23 ILE A 100 3.374 5.382 1.378 1.00 0.24 H new ATOM 0 HD11 ILE A 100 2.832 9.397 2.005 1.00 0.30 H new ATOM 0 HD12 ILE A 100 1.292 8.630 1.551 1.00 0.30 H new ATOM 0 HD13 ILE A 100 2.489 7.724 2.506 1.00 0.30 H new ATOM 1586 N VAL A 101 1.511 4.772 -2.362 1.00 0.21 N ATOM 1587 CA VAL A 101 0.914 3.566 -2.903 1.00 0.21 C ATOM 1588 C VAL A 101 1.878 2.890 -3.862 1.00 0.20 C ATOM 1589 O VAL A 101 2.150 1.695 -3.749 1.00 0.21 O ATOM 1590 CB VAL A 101 -0.384 3.878 -3.655 1.00 0.25 C ATOM 1591 CG1 VAL A 101 -1.030 2.601 -4.145 1.00 0.29 C ATOM 1592 CG2 VAL A 101 -1.335 4.655 -2.774 1.00 0.26 C ATOM 0 H VAL A 101 0.976 5.621 -2.542 1.00 0.21 H new ATOM 0 HA VAL A 101 0.691 2.906 -2.065 1.00 0.21 H new ATOM 0 HB VAL A 101 -0.142 4.494 -4.521 1.00 0.25 H new ATOM 0 HG11 VAL A 101 -1.951 2.840 -4.677 1.00 0.29 H new ATOM 0 HG12 VAL A 101 -0.347 2.082 -4.817 1.00 0.29 H new ATOM 0 HG13 VAL A 101 -1.259 1.959 -3.294 1.00 0.29 H new ATOM 0 HG21 VAL A 101 -2.251 4.867 -3.326 1.00 0.26 H new ATOM 0 HG22 VAL A 101 -1.573 4.067 -1.888 1.00 0.26 H new ATOM 0 HG23 VAL A 101 -0.868 5.592 -2.472 1.00 0.26 H new ATOM 1602 N ALA A 102 2.383 3.672 -4.808 1.00 0.19 N ATOM 1603 CA ALA A 102 3.328 3.183 -5.795 1.00 0.19 C ATOM 1604 C ALA A 102 4.538 2.558 -5.120 1.00 0.17 C ATOM 1605 O ALA A 102 4.975 1.479 -5.498 1.00 0.19 O ATOM 1606 CB ALA A 102 3.757 4.313 -6.715 1.00 0.21 C ATOM 0 H ALA A 102 2.148 4.659 -4.910 1.00 0.19 H new ATOM 0 HA ALA A 102 2.837 2.414 -6.391 1.00 0.19 H new ATOM 0 HB1 ALA A 102 4.466 3.934 -7.451 1.00 0.21 H new ATOM 0 HB2 ALA A 102 2.884 4.717 -7.227 1.00 0.21 H new ATOM 0 HB3 ALA A 102 4.230 5.100 -6.128 1.00 0.21 H new ATOM 1612 N PHE A 103 5.049 3.236 -4.099 1.00 0.16 N ATOM 1613 CA PHE A 103 6.213 2.762 -3.357 1.00 0.17 C ATOM 1614 C PHE A 103 5.975 1.358 -2.806 1.00 0.17 C ATOM 1615 O PHE A 103 6.826 0.475 -2.934 1.00 0.21 O ATOM 1616 CB PHE A 103 6.542 3.728 -2.212 1.00 0.17 C ATOM 1617 CG PHE A 103 7.713 3.295 -1.378 1.00 0.19 C ATOM 1618 CD1 PHE A 103 8.988 3.229 -1.920 1.00 0.29 C ATOM 1619 CD2 PHE A 103 7.536 2.954 -0.048 1.00 0.17 C ATOM 1620 CE1 PHE A 103 10.060 2.832 -1.149 1.00 0.32 C ATOM 1621 CE2 PHE A 103 8.607 2.557 0.727 1.00 0.20 C ATOM 1622 CZ PHE A 103 9.883 2.491 0.153 1.00 0.26 C ATOM 0 H PHE A 103 4.673 4.123 -3.764 1.00 0.16 H new ATOM 0 HA PHE A 103 7.059 2.722 -4.043 1.00 0.17 H new ATOM 0 HB2 PHE A 103 6.748 4.714 -2.628 1.00 0.17 H new ATOM 0 HB3 PHE A 103 5.667 3.829 -1.570 1.00 0.17 H new ATOM 0 HD1 PHE A 103 9.143 3.491 -2.956 1.00 0.29 H new ATOM 0 HD2 PHE A 103 6.549 2.999 0.388 1.00 0.17 H new ATOM 0 HE1 PHE A 103 11.048 2.792 -1.584 1.00 0.32 H new ATOM 0 HE2 PHE A 103 8.463 2.300 1.766 1.00 0.20 H new ATOM 0 HZ PHE A 103 10.726 2.169 0.746 1.00 0.26 H new ATOM 1632 N PHE A 104 4.808 1.152 -2.215 1.00 0.16 N ATOM 1633 CA PHE A 104 4.471 -0.139 -1.634 1.00 0.18 C ATOM 1634 C PHE A 104 4.174 -1.163 -2.723 1.00 0.19 C ATOM 1635 O PHE A 104 4.538 -2.334 -2.605 1.00 0.23 O ATOM 1636 CB PHE A 104 3.281 -0.010 -0.675 1.00 0.19 C ATOM 1637 CG PHE A 104 3.648 0.546 0.677 1.00 0.21 C ATOM 1638 CD1 PHE A 104 4.023 1.873 0.812 1.00 0.24 C ATOM 1639 CD2 PHE A 104 3.622 -0.254 1.811 1.00 0.29 C ATOM 1640 CE1 PHE A 104 4.365 2.389 2.048 1.00 0.27 C ATOM 1641 CE2 PHE A 104 3.963 0.259 3.049 1.00 0.33 C ATOM 1642 CZ PHE A 104 4.317 1.559 3.180 1.00 0.30 C ATOM 0 H PHE A 104 4.080 1.860 -2.125 1.00 0.16 H new ATOM 0 HA PHE A 104 5.333 -0.488 -1.065 1.00 0.18 H new ATOM 0 HB2 PHE A 104 2.528 0.633 -1.130 1.00 0.19 H new ATOM 0 HB3 PHE A 104 2.825 -0.991 -0.543 1.00 0.19 H new ATOM 0 HD1 PHE A 104 4.048 2.512 -0.059 1.00 0.24 H new ATOM 0 HD2 PHE A 104 3.332 -1.291 1.725 1.00 0.29 H new ATOM 0 HE1 PHE A 104 4.667 3.422 2.142 1.00 0.27 H new ATOM 0 HE2 PHE A 104 3.947 -0.382 3.918 1.00 0.33 H new ATOM 0 HZ PHE A 104 4.562 1.957 4.153 1.00 0.30 H new ATOM 1652 N SER A 105 3.537 -0.711 -3.796 1.00 0.18 N ATOM 1653 CA SER A 105 3.199 -1.590 -4.907 1.00 0.21 C ATOM 1654 C SER A 105 4.461 -2.070 -5.625 1.00 0.21 C ATOM 1655 O SER A 105 4.502 -3.188 -6.141 1.00 0.23 O ATOM 1656 CB SER A 105 2.270 -0.870 -5.885 1.00 0.25 C ATOM 1657 OG SER A 105 1.124 -0.359 -5.219 1.00 1.04 O ATOM 0 H SER A 105 3.245 0.258 -3.920 1.00 0.18 H new ATOM 0 HA SER A 105 2.682 -2.464 -4.509 1.00 0.21 H new ATOM 0 HB2 SER A 105 2.807 -0.054 -6.369 1.00 0.25 H new ATOM 0 HB3 SER A 105 1.961 -1.558 -6.672 1.00 0.25 H new ATOM 0 HG SER A 105 1.359 0.471 -4.753 1.00 1.04 H new ATOM 1663 N PHE A 106 5.495 -1.228 -5.644 1.00 0.20 N ATOM 1664 CA PHE A 106 6.761 -1.596 -6.266 1.00 0.21 C ATOM 1665 C PHE A 106 7.415 -2.720 -5.483 1.00 0.22 C ATOM 1666 O PHE A 106 7.834 -3.719 -6.062 1.00 0.24 O ATOM 1667 CB PHE A 106 7.727 -0.405 -6.343 1.00 0.23 C ATOM 1668 CG PHE A 106 7.283 0.714 -7.248 1.00 0.24 C ATOM 1669 CD1 PHE A 106 6.302 0.515 -8.209 1.00 0.30 C ATOM 1670 CD2 PHE A 106 7.856 1.971 -7.135 1.00 0.27 C ATOM 1671 CE1 PHE A 106 5.901 1.548 -9.035 1.00 0.35 C ATOM 1672 CE2 PHE A 106 7.460 3.006 -7.959 1.00 0.30 C ATOM 1673 CZ PHE A 106 6.482 2.793 -8.909 1.00 0.33 C ATOM 0 H PHE A 106 5.478 -0.293 -5.238 1.00 0.20 H new ATOM 0 HA PHE A 106 6.543 -1.924 -7.282 1.00 0.21 H new ATOM 0 HB2 PHE A 106 7.869 -0.006 -5.339 1.00 0.23 H new ATOM 0 HB3 PHE A 106 8.698 -0.765 -6.684 1.00 0.23 H new ATOM 0 HD1 PHE A 106 5.846 -0.459 -8.313 1.00 0.30 H new ATOM 0 HD2 PHE A 106 8.622 2.143 -6.393 1.00 0.27 H new ATOM 0 HE1 PHE A 106 5.135 1.381 -9.777 1.00 0.35 H new ATOM 0 HE2 PHE A 106 7.915 3.981 -7.860 1.00 0.30 H new ATOM 0 HZ PHE A 106 6.171 3.601 -9.554 1.00 0.33 H new ATOM 1683 N GLY A 107 7.473 -2.560 -4.163 1.00 0.23 N ATOM 1684 CA GLY A 107 8.098 -3.558 -3.315 1.00 0.27 C ATOM 1685 C GLY A 107 7.497 -4.935 -3.502 1.00 0.32 C ATOM 1686 O GLY A 107 8.220 -5.929 -3.540 1.00 0.37 O ATOM 0 H GLY A 107 7.096 -1.753 -3.665 1.00 0.23 H new ATOM 0 HA2 GLY A 107 9.165 -3.598 -3.532 1.00 0.27 H new ATOM 0 HA3 GLY A 107 7.996 -3.259 -2.272 1.00 0.27 H new ATOM 1690 N GLY A 108 6.176 -4.988 -3.626 1.00 0.33 N ATOM 1691 CA GLY A 108 5.494 -6.250 -3.852 1.00 0.41 C ATOM 1692 C GLY A 108 5.968 -6.940 -5.116 1.00 0.42 C ATOM 1693 O GLY A 108 6.199 -8.148 -5.125 1.00 0.63 O ATOM 0 H GLY A 108 5.562 -4.175 -3.574 1.00 0.33 H new ATOM 0 HA2 GLY A 108 5.658 -6.907 -2.998 1.00 0.41 H new ATOM 0 HA3 GLY A 108 4.420 -6.074 -3.917 1.00 0.41 H new ATOM 1697 N ALA A 109 6.130 -6.164 -6.179 1.00 0.27 N ATOM 1698 CA ALA A 109 6.597 -6.690 -7.451 1.00 0.26 C ATOM 1699 C ALA A 109 8.061 -7.084 -7.353 1.00 0.23 C ATOM 1700 O ALA A 109 8.477 -8.123 -7.873 1.00 0.24 O ATOM 1701 CB ALA A 109 6.396 -5.659 -8.547 1.00 0.29 C ATOM 0 H ALA A 109 5.943 -5.161 -6.183 1.00 0.27 H new ATOM 0 HA ALA A 109 6.017 -7.579 -7.699 1.00 0.26 H new ATOM 0 HB1 ALA A 109 6.749 -6.063 -9.496 1.00 0.29 H new ATOM 0 HB2 ALA A 109 5.337 -5.416 -8.628 1.00 0.29 H new ATOM 0 HB3 ALA A 109 6.958 -4.757 -8.305 1.00 0.29 H new ATOM 1707 N LEU A 110 8.826 -6.248 -6.665 1.00 0.22 N ATOM 1708 CA LEU A 110 10.243 -6.483 -6.450 1.00 0.23 C ATOM 1709 C LEU A 110 10.459 -7.792 -5.715 1.00 0.21 C ATOM 1710 O LEU A 110 11.302 -8.598 -6.098 1.00 0.21 O ATOM 1711 CB LEU A 110 10.843 -5.335 -5.644 1.00 0.25 C ATOM 1712 CG LEU A 110 10.774 -3.972 -6.317 1.00 0.28 C ATOM 1713 CD1 LEU A 110 11.366 -2.913 -5.407 1.00 0.32 C ATOM 1714 CD2 LEU A 110 11.495 -4.007 -7.651 1.00 0.36 C ATOM 0 H LEU A 110 8.479 -5.388 -6.241 1.00 0.22 H new ATOM 0 HA LEU A 110 10.737 -6.540 -7.420 1.00 0.23 H new ATOM 0 HB2 LEU A 110 10.328 -5.276 -4.685 1.00 0.25 H new ATOM 0 HB3 LEU A 110 11.887 -5.566 -5.432 1.00 0.25 H new ATOM 0 HG LEU A 110 9.730 -3.719 -6.504 1.00 0.28 H new ATOM 0 HD11 LEU A 110 11.312 -1.941 -5.897 1.00 0.32 H new ATOM 0 HD12 LEU A 110 10.804 -2.880 -4.473 1.00 0.32 H new ATOM 0 HD13 LEU A 110 12.407 -3.156 -5.196 1.00 0.32 H new ATOM 0 HD21 LEU A 110 11.438 -3.025 -8.121 1.00 0.36 H new ATOM 0 HD22 LEU A 110 12.540 -4.273 -7.493 1.00 0.36 H new ATOM 0 HD23 LEU A 110 11.026 -4.748 -8.299 1.00 0.36 H new ATOM 1726 N CYS A 111 9.689 -7.992 -4.657 1.00 0.21 N ATOM 1727 CA CYS A 111 9.778 -9.200 -3.854 1.00 0.21 C ATOM 1728 C CYS A 111 9.573 -10.444 -4.702 1.00 0.21 C ATOM 1729 O CYS A 111 10.303 -11.425 -4.570 1.00 0.25 O ATOM 1730 CB CYS A 111 8.748 -9.155 -2.733 1.00 0.22 C ATOM 1731 SG CYS A 111 9.072 -7.882 -1.501 1.00 1.34 S ATOM 0 H CYS A 111 8.989 -7.325 -4.333 1.00 0.21 H new ATOM 0 HA CYS A 111 10.779 -9.248 -3.424 1.00 0.21 H new ATOM 0 HB2 CYS A 111 7.761 -8.987 -3.165 1.00 0.22 H new ATOM 0 HB3 CYS A 111 8.719 -10.126 -2.239 1.00 0.22 H new ATOM 0 HG CYS A 111 8.831 -6.712 -2.013 1.00 1.34 H new ATOM 1737 N VAL A 112 8.595 -10.386 -5.592 1.00 0.19 N ATOM 1738 CA VAL A 112 8.271 -11.517 -6.440 1.00 0.20 C ATOM 1739 C VAL A 112 9.407 -11.804 -7.407 1.00 0.22 C ATOM 1740 O VAL A 112 9.890 -12.936 -7.498 1.00 0.25 O ATOM 1741 CB VAL A 112 6.983 -11.259 -7.237 1.00 0.23 C ATOM 1742 CG1 VAL A 112 6.713 -12.406 -8.192 1.00 0.27 C ATOM 1743 CG2 VAL A 112 5.808 -11.058 -6.294 1.00 0.25 C ATOM 0 H VAL A 112 8.011 -9.564 -5.744 1.00 0.19 H new ATOM 0 HA VAL A 112 8.120 -12.380 -5.791 1.00 0.20 H new ATOM 0 HB VAL A 112 7.113 -10.349 -7.823 1.00 0.23 H new ATOM 0 HG11 VAL A 112 5.797 -12.208 -8.749 1.00 0.27 H new ATOM 0 HG12 VAL A 112 7.547 -12.504 -8.887 1.00 0.27 H new ATOM 0 HG13 VAL A 112 6.601 -13.331 -7.627 1.00 0.27 H new ATOM 0 HG21 VAL A 112 4.903 -10.876 -6.874 1.00 0.25 H new ATOM 0 HG22 VAL A 112 5.675 -11.951 -5.683 1.00 0.25 H new ATOM 0 HG23 VAL A 112 6.003 -10.202 -5.648 1.00 0.25 H new ATOM 1753 N GLU A 113 9.832 -10.774 -8.126 1.00 0.22 N ATOM 1754 CA GLU A 113 10.890 -10.930 -9.113 1.00 0.25 C ATOM 1755 C GLU A 113 12.200 -11.337 -8.441 1.00 0.25 C ATOM 1756 O GLU A 113 13.041 -11.986 -9.056 1.00 0.30 O ATOM 1757 CB GLU A 113 11.087 -9.653 -9.930 1.00 0.29 C ATOM 1758 CG GLU A 113 11.683 -8.499 -9.150 1.00 0.30 C ATOM 1759 CD GLU A 113 12.064 -7.344 -10.045 1.00 0.39 C ATOM 1760 OE1 GLU A 113 13.197 -7.348 -10.570 1.00 0.50 O ATOM 1761 OE2 GLU A 113 11.230 -6.440 -10.241 1.00 0.51 O ATOM 0 H GLU A 113 9.462 -9.827 -8.045 1.00 0.22 H new ATOM 0 HA GLU A 113 10.586 -11.722 -9.797 1.00 0.25 H new ATOM 0 HB2 GLU A 113 11.734 -9.875 -10.779 1.00 0.29 H new ATOM 0 HB3 GLU A 113 10.124 -9.343 -10.336 1.00 0.29 H new ATOM 0 HG2 GLU A 113 10.965 -8.157 -8.404 1.00 0.30 H new ATOM 0 HG3 GLU A 113 12.564 -8.844 -8.610 1.00 0.30 H new ATOM 1768 N SER A 114 12.362 -10.962 -7.175 1.00 0.23 N ATOM 1769 CA SER A 114 13.536 -11.354 -6.412 1.00 0.28 C ATOM 1770 C SER A 114 13.562 -12.863 -6.229 1.00 0.27 C ATOM 1771 O SER A 114 14.607 -13.493 -6.354 1.00 0.31 O ATOM 1772 CB SER A 114 13.564 -10.653 -5.051 1.00 0.33 C ATOM 1773 OG SER A 114 13.709 -9.254 -5.207 1.00 0.99 O ATOM 0 H SER A 114 11.695 -10.388 -6.659 1.00 0.23 H new ATOM 0 HA SER A 114 14.423 -11.050 -6.968 1.00 0.28 H new ATOM 0 HB2 SER A 114 12.644 -10.869 -4.507 1.00 0.33 H new ATOM 0 HB3 SER A 114 14.387 -11.044 -4.453 1.00 0.33 H new ATOM 0 HG SER A 114 12.825 -8.843 -5.307 1.00 0.99 H new ATOM 1779 N VAL A 115 12.396 -13.441 -5.968 1.00 0.28 N ATOM 1780 CA VAL A 115 12.282 -14.878 -5.803 1.00 0.33 C ATOM 1781 C VAL A 115 12.577 -15.576 -7.124 1.00 0.37 C ATOM 1782 O VAL A 115 13.331 -16.547 -7.171 1.00 0.42 O ATOM 1783 CB VAL A 115 10.877 -15.268 -5.311 1.00 0.40 C ATOM 1784 CG1 VAL A 115 10.778 -16.768 -5.101 1.00 0.45 C ATOM 1785 CG2 VAL A 115 10.541 -14.521 -4.032 1.00 0.41 C ATOM 0 H VAL A 115 11.517 -12.933 -5.867 1.00 0.28 H new ATOM 0 HA VAL A 115 13.008 -15.194 -5.054 1.00 0.33 H new ATOM 0 HB VAL A 115 10.152 -14.987 -6.075 1.00 0.40 H new ATOM 0 HG11 VAL A 115 9.777 -17.021 -4.753 1.00 0.45 H new ATOM 0 HG12 VAL A 115 10.976 -17.281 -6.042 1.00 0.45 H new ATOM 0 HG13 VAL A 115 11.510 -17.080 -4.357 1.00 0.45 H new ATOM 0 HG21 VAL A 115 9.544 -14.806 -3.695 1.00 0.41 H new ATOM 0 HG22 VAL A 115 11.270 -14.772 -3.262 1.00 0.41 H new ATOM 0 HG23 VAL A 115 10.567 -13.448 -4.220 1.00 0.41 H new ATOM 1795 N ASP A 116 11.992 -15.053 -8.196 1.00 0.38 N ATOM 1796 CA ASP A 116 12.226 -15.575 -9.542 1.00 0.46 C ATOM 1797 C ASP A 116 13.711 -15.511 -9.909 1.00 0.47 C ATOM 1798 O ASP A 116 14.238 -16.404 -10.573 1.00 0.56 O ATOM 1799 CB ASP A 116 11.393 -14.792 -10.564 1.00 0.49 C ATOM 1800 CG ASP A 116 11.741 -15.137 -12.000 1.00 1.08 C ATOM 1801 OD1 ASP A 116 11.336 -16.220 -12.474 1.00 1.23 O ATOM 1802 OD2 ASP A 116 12.396 -14.311 -12.669 1.00 1.89 O ATOM 0 H ASP A 116 11.348 -14.263 -8.160 1.00 0.38 H new ATOM 0 HA ASP A 116 11.919 -16.621 -9.558 1.00 0.46 H new ATOM 0 HB2 ASP A 116 10.335 -14.994 -10.394 1.00 0.49 H new ATOM 0 HB3 ASP A 116 11.544 -13.724 -10.406 1.00 0.49 H new ATOM 1807 N LYS A 117 14.385 -14.463 -9.447 1.00 0.43 N ATOM 1808 CA LYS A 117 15.813 -14.291 -9.710 1.00 0.49 C ATOM 1809 C LYS A 117 16.663 -15.046 -8.688 1.00 0.47 C ATOM 1810 O LYS A 117 17.876 -14.844 -8.623 1.00 0.52 O ATOM 1811 CB LYS A 117 16.194 -12.804 -9.691 1.00 0.53 C ATOM 1812 CG LYS A 117 15.615 -11.990 -10.840 1.00 0.61 C ATOM 1813 CD LYS A 117 16.056 -10.537 -10.751 1.00 1.20 C ATOM 1814 CE LYS A 117 15.512 -9.707 -11.905 1.00 1.32 C ATOM 1815 NZ LYS A 117 14.035 -9.561 -11.847 1.00 1.90 N ATOM 0 H LYS A 117 13.967 -13.719 -8.888 1.00 0.43 H new ATOM 0 HA LYS A 117 16.011 -14.702 -10.700 1.00 0.49 H new ATOM 0 HB2 LYS A 117 15.860 -12.368 -8.749 1.00 0.53 H new ATOM 0 HB3 LYS A 117 17.281 -12.720 -9.714 1.00 0.53 H new ATOM 0 HG2 LYS A 117 15.937 -12.415 -11.791 1.00 0.61 H new ATOM 0 HG3 LYS A 117 14.527 -12.046 -10.819 1.00 0.61 H new ATOM 0 HD2 LYS A 117 15.717 -10.112 -9.806 1.00 1.20 H new ATOM 0 HD3 LYS A 117 17.145 -10.488 -10.750 1.00 1.20 H new ATOM 0 HE2 LYS A 117 15.973 -8.720 -11.889 1.00 1.32 H new ATOM 0 HE3 LYS A 117 15.792 -10.174 -12.849 1.00 1.32 H new ATOM 0 HZ1 LYS A 117 13.698 -9.092 -12.712 1.00 1.90 H new ATOM 0 HZ2 LYS A 117 13.596 -10.501 -11.769 1.00 1.90 H new ATOM 0 HZ3 LYS A 117 13.775 -8.988 -11.019 1.00 1.90 H new ATOM 1829 N GLU A 118 16.022 -15.896 -7.883 1.00 0.45 N ATOM 1830 CA GLU A 118 16.721 -16.731 -6.899 1.00 0.49 C ATOM 1831 C GLU A 118 17.390 -15.877 -5.824 1.00 0.45 C ATOM 1832 O GLU A 118 18.355 -16.297 -5.183 1.00 0.55 O ATOM 1833 CB GLU A 118 17.758 -17.618 -7.591 1.00 0.59 C ATOM 1834 CG GLU A 118 17.160 -18.550 -8.630 1.00 1.07 C ATOM 1835 CD GLU A 118 18.214 -19.312 -9.403 1.00 1.72 C ATOM 1836 OE1 GLU A 118 18.692 -18.793 -10.430 1.00 2.54 O ATOM 1837 OE2 GLU A 118 18.578 -20.429 -8.981 1.00 1.89 O ATOM 0 H GLU A 118 15.010 -16.026 -7.893 1.00 0.45 H new ATOM 0 HA GLU A 118 15.980 -17.366 -6.414 1.00 0.49 H new ATOM 0 HB2 GLU A 118 18.505 -16.985 -8.069 1.00 0.59 H new ATOM 0 HB3 GLU A 118 18.278 -18.211 -6.838 1.00 0.59 H new ATOM 0 HG2 GLU A 118 16.493 -19.258 -8.137 1.00 1.07 H new ATOM 0 HG3 GLU A 118 16.552 -17.971 -9.325 1.00 1.07 H new ATOM 1844 N MET A 119 16.850 -14.690 -5.614 1.00 0.35 N ATOM 1845 CA MET A 119 17.383 -13.765 -4.630 1.00 0.33 C ATOM 1846 C MET A 119 16.441 -13.697 -3.435 1.00 0.31 C ATOM 1847 O MET A 119 15.831 -12.664 -3.157 1.00 0.27 O ATOM 1848 CB MET A 119 17.565 -12.374 -5.242 1.00 0.34 C ATOM 1849 CG MET A 119 18.417 -12.365 -6.502 1.00 0.41 C ATOM 1850 SD MET A 119 18.662 -10.710 -7.175 1.00 0.47 S ATOM 1851 CE MET A 119 16.974 -10.123 -7.263 1.00 0.44 C ATOM 0 H MET A 119 16.034 -14.341 -6.117 1.00 0.35 H new ATOM 0 HA MET A 119 18.359 -14.121 -4.300 1.00 0.33 H new ATOM 0 HB2 MET A 119 16.585 -11.958 -5.474 1.00 0.34 H new ATOM 0 HB3 MET A 119 18.022 -11.718 -4.501 1.00 0.34 H new ATOM 0 HG2 MET A 119 19.388 -12.809 -6.281 1.00 0.41 H new ATOM 0 HG3 MET A 119 17.945 -12.992 -7.258 1.00 0.41 H new ATOM 0 HE1 MET A 119 16.904 -9.327 -8.004 1.00 0.44 H new ATOM 0 HE2 MET A 119 16.318 -10.944 -7.550 1.00 0.44 H new ATOM 0 HE3 MET A 119 16.671 -9.740 -6.289 1.00 0.44 H new ATOM 1861 N GLN A 120 16.328 -14.817 -2.736 1.00 0.36 N ATOM 1862 CA GLN A 120 15.391 -14.946 -1.626 1.00 0.39 C ATOM 1863 C GLN A 120 15.873 -14.189 -0.391 1.00 0.41 C ATOM 1864 O GLN A 120 15.151 -14.081 0.595 1.00 0.47 O ATOM 1865 CB GLN A 120 15.176 -16.423 -1.283 1.00 0.49 C ATOM 1866 CG GLN A 120 14.516 -17.230 -2.398 1.00 0.53 C ATOM 1867 CD GLN A 120 14.365 -18.700 -2.041 1.00 0.65 C ATOM 1868 OE1 GLN A 120 14.241 -19.051 -0.870 1.00 0.71 O ATOM 1869 NE2 GLN A 120 14.354 -19.566 -3.044 1.00 0.70 N ATOM 0 H GLN A 120 16.878 -15.657 -2.919 1.00 0.36 H new ATOM 0 HA GLN A 120 14.445 -14.506 -1.941 1.00 0.39 H new ATOM 0 HB2 GLN A 120 16.139 -16.874 -1.044 1.00 0.49 H new ATOM 0 HB3 GLN A 120 14.560 -16.491 -0.386 1.00 0.49 H new ATOM 0 HG2 GLN A 120 13.534 -16.809 -2.614 1.00 0.53 H new ATOM 0 HG3 GLN A 120 15.109 -17.139 -3.308 1.00 0.53 H new ATOM 0 HE21 GLN A 120 14.460 -19.236 -4.003 1.00 0.70 H new ATOM 0 HE22 GLN A 120 14.240 -20.562 -2.857 1.00 0.70 H new ATOM 1878 N VAL A 121 17.096 -13.681 -0.434 1.00 0.39 N ATOM 1879 CA VAL A 121 17.593 -12.839 0.644 1.00 0.44 C ATOM 1880 C VAL A 121 17.280 -11.372 0.372 1.00 0.38 C ATOM 1881 O VAL A 121 17.226 -10.553 1.289 1.00 0.47 O ATOM 1882 CB VAL A 121 19.109 -13.005 0.862 1.00 0.52 C ATOM 1883 CG1 VAL A 121 19.440 -14.443 1.215 1.00 0.98 C ATOM 1884 CG2 VAL A 121 19.886 -12.557 -0.365 1.00 0.92 C ATOM 0 H VAL A 121 17.757 -13.835 -1.196 1.00 0.39 H new ATOM 0 HA VAL A 121 17.083 -13.161 1.552 1.00 0.44 H new ATOM 0 HB VAL A 121 19.406 -12.370 1.696 1.00 0.52 H new ATOM 0 HG11 VAL A 121 20.515 -14.542 1.366 1.00 0.98 H new ATOM 0 HG12 VAL A 121 18.918 -14.722 2.130 1.00 0.98 H new ATOM 0 HG13 VAL A 121 19.125 -15.099 0.403 1.00 0.98 H new ATOM 0 HG21 VAL A 121 20.954 -12.684 -0.186 1.00 0.92 H new ATOM 0 HG22 VAL A 121 19.588 -13.158 -1.224 1.00 0.92 H new ATOM 0 HG23 VAL A 121 19.674 -11.507 -0.566 1.00 0.92 H new ATOM 1894 N LEU A 122 17.051 -11.046 -0.895 1.00 0.30 N ATOM 1895 CA LEU A 122 16.765 -9.675 -1.279 1.00 0.27 C ATOM 1896 C LEU A 122 15.336 -9.293 -0.943 1.00 0.23 C ATOM 1897 O LEU A 122 15.068 -8.144 -0.620 1.00 0.23 O ATOM 1898 CB LEU A 122 17.041 -9.434 -2.761 1.00 0.28 C ATOM 1899 CG LEU A 122 18.467 -8.991 -3.086 1.00 0.37 C ATOM 1900 CD1 LEU A 122 19.466 -10.096 -2.794 1.00 0.39 C ATOM 1901 CD2 LEU A 122 18.559 -8.556 -4.532 1.00 0.41 C ATOM 0 H LEU A 122 17.058 -11.711 -1.668 1.00 0.30 H new ATOM 0 HA LEU A 122 17.437 -9.039 -0.702 1.00 0.27 H new ATOM 0 HB2 LEU A 122 16.827 -10.351 -3.309 1.00 0.28 H new ATOM 0 HB3 LEU A 122 16.348 -8.676 -3.126 1.00 0.28 H new ATOM 0 HG LEU A 122 18.716 -8.144 -2.447 1.00 0.37 H new ATOM 0 HD11 LEU A 122 20.471 -9.751 -3.035 1.00 0.39 H new ATOM 0 HD12 LEU A 122 19.417 -10.361 -1.738 1.00 0.39 H new ATOM 0 HD13 LEU A 122 19.228 -10.971 -3.399 1.00 0.39 H new ATOM 0 HD21 LEU A 122 19.579 -8.242 -4.753 1.00 0.41 H new ATOM 0 HD22 LEU A 122 18.287 -9.389 -5.180 1.00 0.41 H new ATOM 0 HD23 LEU A 122 17.878 -7.723 -4.705 1.00 0.41 H new ATOM 1913 N VAL A 123 14.428 -10.261 -0.992 1.00 0.23 N ATOM 1914 CA VAL A 123 13.032 -10.006 -0.657 1.00 0.25 C ATOM 1915 C VAL A 123 12.909 -9.489 0.779 1.00 0.27 C ATOM 1916 O VAL A 123 12.089 -8.618 1.073 1.00 0.31 O ATOM 1917 CB VAL A 123 12.155 -11.266 -0.854 1.00 0.28 C ATOM 1918 CG1 VAL A 123 12.670 -12.435 -0.033 1.00 0.31 C ATOM 1919 CG2 VAL A 123 10.708 -10.967 -0.507 1.00 0.31 C ATOM 0 H VAL A 123 14.632 -11.224 -1.259 1.00 0.23 H new ATOM 0 HA VAL A 123 12.667 -9.240 -1.340 1.00 0.25 H new ATOM 0 HB VAL A 123 12.211 -11.549 -1.905 1.00 0.28 H new ATOM 0 HG11 VAL A 123 12.031 -13.303 -0.195 1.00 0.31 H new ATOM 0 HG12 VAL A 123 13.689 -12.673 -0.338 1.00 0.31 H new ATOM 0 HG13 VAL A 123 12.660 -12.170 1.024 1.00 0.31 H new ATOM 0 HG21 VAL A 123 10.106 -11.864 -0.651 1.00 0.31 H new ATOM 0 HG22 VAL A 123 10.642 -10.649 0.534 1.00 0.31 H new ATOM 0 HG23 VAL A 123 10.336 -10.172 -1.154 1.00 0.31 H new ATOM 1929 N SER A 124 13.762 -10.002 1.654 1.00 0.29 N ATOM 1930 CA SER A 124 13.786 -9.568 3.042 1.00 0.35 C ATOM 1931 C SER A 124 14.375 -8.161 3.137 1.00 0.34 C ATOM 1932 O SER A 124 13.925 -7.335 3.937 1.00 0.44 O ATOM 1933 CB SER A 124 14.599 -10.555 3.891 1.00 0.43 C ATOM 1934 OG SER A 124 14.477 -10.275 5.277 1.00 1.32 O ATOM 0 H SER A 124 14.448 -10.721 1.426 1.00 0.29 H new ATOM 0 HA SER A 124 12.766 -9.544 3.427 1.00 0.35 H new ATOM 0 HB2 SER A 124 14.259 -11.572 3.693 1.00 0.43 H new ATOM 0 HB3 SER A 124 15.648 -10.507 3.600 1.00 0.43 H new ATOM 0 HG SER A 124 15.005 -10.922 5.789 1.00 1.32 H new ATOM 1940 N ARG A 125 15.366 -7.881 2.292 1.00 0.28 N ATOM 1941 CA ARG A 125 16.002 -6.570 2.273 1.00 0.31 C ATOM 1942 C ARG A 125 15.069 -5.530 1.667 1.00 0.24 C ATOM 1943 O ARG A 125 15.103 -4.367 2.052 1.00 0.24 O ATOM 1944 CB ARG A 125 17.330 -6.606 1.501 1.00 0.41 C ATOM 1945 CG ARG A 125 18.440 -7.370 2.221 1.00 0.91 C ATOM 1946 CD ARG A 125 19.770 -7.324 1.470 1.00 0.74 C ATOM 1947 NE ARG A 125 20.856 -7.901 2.263 1.00 1.01 N ATOM 1948 CZ ARG A 125 22.131 -7.515 2.183 1.00 1.24 C ATOM 1949 NH1 ARG A 125 22.488 -6.530 1.366 1.00 1.28 N ATOM 1950 NH2 ARG A 125 23.050 -8.108 2.931 1.00 1.84 N ATOM 0 H ARG A 125 15.743 -8.544 1.615 1.00 0.28 H new ATOM 0 HA ARG A 125 16.217 -6.291 3.305 1.00 0.31 H new ATOM 0 HB2 ARG A 125 17.161 -7.063 0.526 1.00 0.41 H new ATOM 0 HB3 ARG A 125 17.663 -5.584 1.321 1.00 0.41 H new ATOM 0 HG2 ARG A 125 18.576 -6.951 3.218 1.00 0.91 H new ATOM 0 HG3 ARG A 125 18.136 -8.409 2.350 1.00 0.91 H new ATOM 0 HD2 ARG A 125 19.677 -7.867 0.530 1.00 0.74 H new ATOM 0 HD3 ARG A 125 20.011 -6.291 1.219 1.00 0.74 H new ATOM 0 HE ARG A 125 20.624 -8.646 2.919 1.00 1.01 H new ATOM 0 HH11 ARG A 125 21.785 -6.062 0.794 1.00 1.28 H new ATOM 0 HH12 ARG A 125 23.465 -6.242 1.311 1.00 1.28 H new ATOM 0 HH21 ARG A 125 22.783 -8.859 3.567 1.00 1.84 H new ATOM 0 HH22 ARG A 125 24.025 -7.814 2.870 1.00 1.84 H new ATOM 1964 N ILE A 126 14.231 -5.959 0.732 1.00 0.21 N ATOM 1965 CA ILE A 126 13.236 -5.083 0.129 1.00 0.19 C ATOM 1966 C ILE A 126 12.338 -4.485 1.203 1.00 0.19 C ATOM 1967 O ILE A 126 12.170 -3.265 1.278 1.00 0.19 O ATOM 1968 CB ILE A 126 12.392 -5.849 -0.907 1.00 0.19 C ATOM 1969 CG1 ILE A 126 13.255 -6.191 -2.120 1.00 0.20 C ATOM 1970 CG2 ILE A 126 11.173 -5.041 -1.325 1.00 0.20 C ATOM 1971 CD1 ILE A 126 12.564 -7.064 -3.135 1.00 0.23 C ATOM 0 H ILE A 126 14.221 -6.914 0.373 1.00 0.21 H new ATOM 0 HA ILE A 126 13.757 -4.274 -0.383 1.00 0.19 H new ATOM 0 HB ILE A 126 12.034 -6.773 -0.452 1.00 0.19 H new ATOM 0 HG12 ILE A 126 13.567 -5.266 -2.604 1.00 0.20 H new ATOM 0 HG13 ILE A 126 14.160 -6.694 -1.779 1.00 0.20 H new ATOM 0 HG21 ILE A 126 10.596 -5.606 -2.057 1.00 0.20 H new ATOM 0 HG22 ILE A 126 10.553 -4.839 -0.451 1.00 0.20 H new ATOM 0 HG23 ILE A 126 11.495 -4.098 -1.767 1.00 0.20 H new ATOM 0 HD11 ILE A 126 13.241 -7.262 -3.966 1.00 0.23 H new ATOM 0 HD12 ILE A 126 12.276 -8.006 -2.669 1.00 0.23 H new ATOM 0 HD13 ILE A 126 11.674 -6.556 -3.506 1.00 0.23 H new ATOM 1983 N ALA A 127 11.780 -5.349 2.045 1.00 0.22 N ATOM 1984 CA ALA A 127 10.965 -4.910 3.167 1.00 0.25 C ATOM 1985 C ALA A 127 11.735 -3.940 4.054 1.00 0.24 C ATOM 1986 O ALA A 127 11.178 -2.966 4.561 1.00 0.26 O ATOM 1987 CB ALA A 127 10.496 -6.106 3.977 1.00 0.30 C ATOM 0 H ALA A 127 11.879 -6.361 1.969 1.00 0.22 H new ATOM 0 HA ALA A 127 10.094 -4.389 2.771 1.00 0.25 H new ATOM 0 HB1 ALA A 127 9.887 -5.763 4.813 1.00 0.30 H new ATOM 0 HB2 ALA A 127 9.903 -6.765 3.343 1.00 0.30 H new ATOM 0 HB3 ALA A 127 11.361 -6.650 4.357 1.00 0.30 H new ATOM 1993 N ALA A 128 13.023 -4.207 4.220 1.00 0.22 N ATOM 1994 CA ALA A 128 13.885 -3.364 5.031 1.00 0.23 C ATOM 1995 C ALA A 128 14.052 -1.984 4.402 1.00 0.19 C ATOM 1996 O ALA A 128 13.909 -0.964 5.080 1.00 0.19 O ATOM 1997 CB ALA A 128 15.238 -4.029 5.220 1.00 0.27 C ATOM 0 H ALA A 128 13.495 -5.007 3.800 1.00 0.22 H new ATOM 0 HA ALA A 128 13.416 -3.233 6.006 1.00 0.23 H new ATOM 0 HB1 ALA A 128 15.876 -3.389 5.829 1.00 0.27 H new ATOM 0 HB2 ALA A 128 15.105 -4.989 5.719 1.00 0.27 H new ATOM 0 HB3 ALA A 128 15.705 -4.187 4.248 1.00 0.27 H new ATOM 2003 N TRP A 129 14.343 -1.954 3.104 1.00 0.17 N ATOM 2004 CA TRP A 129 14.537 -0.693 2.393 1.00 0.17 C ATOM 2005 C TRP A 129 13.258 0.131 2.419 1.00 0.15 C ATOM 2006 O TRP A 129 13.292 1.348 2.619 1.00 0.18 O ATOM 2007 CB TRP A 129 14.959 -0.929 0.939 1.00 0.20 C ATOM 2008 CG TRP A 129 16.213 -1.734 0.793 1.00 0.24 C ATOM 2009 CD1 TRP A 129 17.293 -1.730 1.626 1.00 0.27 C ATOM 2010 CD2 TRP A 129 16.521 -2.651 -0.263 1.00 0.31 C ATOM 2011 NE1 TRP A 129 18.250 -2.596 1.160 1.00 0.33 N ATOM 2012 CE2 TRP A 129 17.800 -3.173 0.000 1.00 0.36 C ATOM 2013 CE3 TRP A 129 15.836 -3.085 -1.402 1.00 0.37 C ATOM 2014 CZ2 TRP A 129 18.408 -4.107 -0.834 1.00 0.45 C ATOM 2015 CZ3 TRP A 129 16.442 -4.010 -2.231 1.00 0.47 C ATOM 2016 CH2 TRP A 129 17.718 -4.512 -1.943 1.00 0.50 C ATOM 0 H TRP A 129 14.449 -2.786 2.524 1.00 0.17 H new ATOM 0 HA TRP A 129 15.334 -0.150 2.901 1.00 0.17 H new ATOM 0 HB2 TRP A 129 14.150 -1.437 0.414 1.00 0.20 H new ATOM 0 HB3 TRP A 129 15.099 0.035 0.451 1.00 0.20 H new ATOM 0 HD1 TRP A 129 17.382 -1.133 2.521 1.00 0.27 H new ATOM 0 HE1 TRP A 129 19.150 -2.781 1.604 1.00 0.33 H new ATOM 0 HE3 TRP A 129 14.851 -2.704 -1.630 1.00 0.37 H new ATOM 0 HZ2 TRP A 129 19.390 -4.498 -0.613 1.00 0.45 H new ATOM 0 HZ3 TRP A 129 15.924 -4.351 -3.115 1.00 0.47 H new ATOM 0 HH2 TRP A 129 18.166 -5.233 -2.610 1.00 0.50 H new ATOM 2027 N MET A 130 12.130 -0.543 2.234 1.00 0.16 N ATOM 2028 CA MET A 130 10.840 0.130 2.217 1.00 0.21 C ATOM 2029 C MET A 130 10.516 0.704 3.588 1.00 0.19 C ATOM 2030 O MET A 130 10.068 1.844 3.702 1.00 0.21 O ATOM 2031 CB MET A 130 9.731 -0.821 1.776 1.00 0.29 C ATOM 2032 CG MET A 130 9.823 -1.254 0.321 1.00 0.33 C ATOM 2033 SD MET A 130 8.477 -2.353 -0.150 1.00 0.71 S ATOM 2034 CE MET A 130 7.070 -1.328 0.264 1.00 0.29 C ATOM 0 H MET A 130 12.083 -1.552 2.094 1.00 0.16 H new ATOM 0 HA MET A 130 10.901 0.947 1.498 1.00 0.21 H new ATOM 0 HB2 MET A 130 9.755 -1.708 2.409 1.00 0.29 H new ATOM 0 HB3 MET A 130 8.767 -0.338 1.940 1.00 0.29 H new ATOM 0 HG2 MET A 130 9.811 -0.372 -0.320 1.00 0.33 H new ATOM 0 HG3 MET A 130 10.775 -1.757 0.153 1.00 0.33 H new ATOM 0 HE1 MET A 130 6.163 -1.774 -0.143 1.00 0.29 H new ATOM 0 HE2 MET A 130 6.982 -1.251 1.348 1.00 0.29 H new ATOM 0 HE3 MET A 130 7.207 -0.333 -0.160 1.00 0.29 H new ATOM 2044 N ALA A 131 10.764 -0.086 4.625 1.00 0.18 N ATOM 2045 CA ALA A 131 10.517 0.344 5.992 1.00 0.20 C ATOM 2046 C ALA A 131 11.391 1.536 6.344 1.00 0.21 C ATOM 2047 O ALA A 131 10.937 2.490 6.971 1.00 0.23 O ATOM 2048 CB ALA A 131 10.773 -0.800 6.954 1.00 0.23 C ATOM 0 H ALA A 131 11.138 -1.032 4.543 1.00 0.18 H new ATOM 0 HA ALA A 131 9.473 0.647 6.077 1.00 0.20 H new ATOM 0 HB1 ALA A 131 10.585 -0.466 7.974 1.00 0.23 H new ATOM 0 HB2 ALA A 131 10.109 -1.631 6.716 1.00 0.23 H new ATOM 0 HB3 ALA A 131 11.809 -1.126 6.864 1.00 0.23 H new ATOM 2054 N THR A 132 12.646 1.472 5.923 1.00 0.22 N ATOM 2055 CA THR A 132 13.594 2.551 6.159 1.00 0.25 C ATOM 2056 C THR A 132 13.120 3.844 5.493 1.00 0.24 C ATOM 2057 O THR A 132 13.045 4.894 6.138 1.00 0.25 O ATOM 2058 CB THR A 132 14.994 2.175 5.634 1.00 0.31 C ATOM 2059 OG1 THR A 132 15.420 0.938 6.224 1.00 0.33 O ATOM 2060 CG2 THR A 132 16.004 3.265 5.957 1.00 0.37 C ATOM 0 H THR A 132 13.033 0.678 5.413 1.00 0.22 H new ATOM 0 HA THR A 132 13.655 2.712 7.235 1.00 0.25 H new ATOM 0 HB THR A 132 14.935 2.064 4.551 1.00 0.31 H new ATOM 0 HG1 THR A 132 15.084 0.188 5.690 1.00 0.33 H new ATOM 0 HG21 THR A 132 16.984 2.977 5.577 1.00 0.37 H new ATOM 0 HG22 THR A 132 15.693 4.199 5.489 1.00 0.37 H new ATOM 0 HG23 THR A 132 16.060 3.401 7.037 1.00 0.37 H new ATOM 2068 N TYR A 133 12.794 3.767 4.204 1.00 0.23 N ATOM 2069 CA TYR A 133 12.316 4.936 3.468 1.00 0.24 C ATOM 2070 C TYR A 133 11.041 5.484 4.101 1.00 0.21 C ATOM 2071 O TYR A 133 10.907 6.692 4.299 1.00 0.23 O ATOM 2072 CB TYR A 133 12.067 4.591 1.997 1.00 0.27 C ATOM 2073 CG TYR A 133 11.524 5.748 1.182 1.00 0.33 C ATOM 2074 CD1 TYR A 133 12.352 6.785 0.771 1.00 0.42 C ATOM 2075 CD2 TYR A 133 10.182 5.799 0.823 1.00 0.36 C ATOM 2076 CE1 TYR A 133 11.858 7.838 0.025 1.00 0.50 C ATOM 2077 CE2 TYR A 133 9.682 6.847 0.076 1.00 0.45 C ATOM 2078 CZ TYR A 133 10.523 7.862 -0.320 1.00 0.51 C ATOM 2079 OH TYR A 133 10.033 8.903 -1.070 1.00 0.61 O ATOM 0 H TYR A 133 12.852 2.912 3.650 1.00 0.23 H new ATOM 0 HA TYR A 133 13.089 5.703 3.517 1.00 0.24 H new ATOM 0 HB2 TYR A 133 13.001 4.250 1.550 1.00 0.27 H new ATOM 0 HB3 TYR A 133 11.365 3.759 1.942 1.00 0.27 H new ATOM 0 HD1 TYR A 133 13.398 6.768 1.039 1.00 0.42 H new ATOM 0 HD2 TYR A 133 9.519 5.005 1.134 1.00 0.36 H new ATOM 0 HE1 TYR A 133 12.514 8.638 -0.286 1.00 0.50 H new ATOM 0 HE2 TYR A 133 8.637 6.870 -0.196 1.00 0.45 H new ATOM 0 HH TYR A 133 10.436 8.881 -1.963 1.00 0.61 H new ATOM 2089 N LEU A 134 10.123 4.584 4.434 1.00 0.20 N ATOM 2090 CA LEU A 134 8.862 4.963 5.053 1.00 0.20 C ATOM 2091 C LEU A 134 9.096 5.664 6.389 1.00 0.21 C ATOM 2092 O LEU A 134 8.541 6.724 6.643 1.00 0.24 O ATOM 2093 CB LEU A 134 7.982 3.725 5.249 1.00 0.20 C ATOM 2094 CG LEU A 134 6.757 3.919 6.144 1.00 0.22 C ATOM 2095 CD1 LEU A 134 5.805 4.936 5.539 1.00 0.26 C ATOM 2096 CD2 LEU A 134 6.050 2.593 6.372 1.00 0.26 C ATOM 0 H LEU A 134 10.231 3.581 4.284 1.00 0.20 H new ATOM 0 HA LEU A 134 8.351 5.662 4.391 1.00 0.20 H new ATOM 0 HB2 LEU A 134 7.644 3.383 4.271 1.00 0.20 H new ATOM 0 HB3 LEU A 134 8.595 2.929 5.671 1.00 0.20 H new ATOM 0 HG LEU A 134 7.094 4.300 7.108 1.00 0.22 H new ATOM 0 HD11 LEU A 134 4.941 5.059 6.192 1.00 0.26 H new ATOM 0 HD12 LEU A 134 6.316 5.893 5.430 1.00 0.26 H new ATOM 0 HD13 LEU A 134 5.474 4.588 4.561 1.00 0.26 H new ATOM 0 HD21 LEU A 134 5.181 2.749 7.011 1.00 0.26 H new ATOM 0 HD22 LEU A 134 5.728 2.183 5.415 1.00 0.26 H new ATOM 0 HD23 LEU A 134 6.734 1.894 6.854 1.00 0.26 H new ATOM 2108 N ASN A 135 9.940 5.076 7.221 1.00 0.24 N ATOM 2109 CA ASN A 135 10.185 5.592 8.566 1.00 0.29 C ATOM 2110 C ASN A 135 10.888 6.949 8.543 1.00 0.30 C ATOM 2111 O ASN A 135 10.497 7.871 9.262 1.00 0.33 O ATOM 2112 CB ASN A 135 11.008 4.576 9.372 1.00 0.37 C ATOM 2113 CG ASN A 135 11.513 5.122 10.699 1.00 0.92 C ATOM 2114 OD1 ASN A 135 10.798 5.106 11.705 1.00 1.17 O ATOM 2115 ND2 ASN A 135 12.761 5.575 10.724 1.00 1.46 N ATOM 0 H ASN A 135 10.471 4.236 6.991 1.00 0.24 H new ATOM 0 HA ASN A 135 9.218 5.740 9.046 1.00 0.29 H new ATOM 0 HB2 ASN A 135 10.397 3.693 9.560 1.00 0.37 H new ATOM 0 HB3 ASN A 135 11.860 4.253 8.773 1.00 0.37 H new ATOM 0 HD21 ASN A 135 13.159 5.925 11.595 1.00 1.46 H new ATOM 0 HD22 ASN A 135 13.322 5.572 9.872 1.00 1.46 H new ATOM 2122 N ASP A 136 11.917 7.074 7.722 1.00 0.32 N ATOM 2123 CA ASP A 136 12.749 8.272 7.742 1.00 0.37 C ATOM 2124 C ASP A 136 12.281 9.346 6.767 1.00 0.34 C ATOM 2125 O ASP A 136 12.082 10.491 7.158 1.00 0.36 O ATOM 2126 CB ASP A 136 14.212 7.915 7.474 1.00 0.46 C ATOM 2127 CG ASP A 136 14.848 7.218 8.656 1.00 1.19 C ATOM 2128 OD1 ASP A 136 14.709 5.984 8.768 1.00 2.07 O ATOM 2129 OD2 ASP A 136 15.477 7.905 9.490 1.00 1.27 O ATOM 0 H ASP A 136 12.197 6.370 7.039 1.00 0.32 H new ATOM 0 HA ASP A 136 12.654 8.695 8.742 1.00 0.37 H new ATOM 0 HB2 ASP A 136 14.274 7.271 6.597 1.00 0.46 H new ATOM 0 HB3 ASP A 136 14.771 8.822 7.244 1.00 0.46 H new ATOM 2134 N HIS A 137 12.107 8.992 5.502 1.00 0.33 N ATOM 2135 CA HIS A 137 11.835 10.005 4.478 1.00 0.35 C ATOM 2136 C HIS A 137 10.346 10.252 4.276 1.00 0.29 C ATOM 2137 O HIS A 137 9.920 11.393 4.103 1.00 0.32 O ATOM 2138 CB HIS A 137 12.486 9.635 3.137 1.00 0.45 C ATOM 2139 CG HIS A 137 13.964 9.882 3.093 1.00 0.63 C ATOM 2140 ND1 HIS A 137 14.902 8.934 3.437 1.00 1.07 N ATOM 2141 CD2 HIS A 137 14.664 10.983 2.735 1.00 1.53 C ATOM 2142 CE1 HIS A 137 16.113 9.440 3.290 1.00 0.95 C ATOM 2143 NE2 HIS A 137 15.997 10.683 2.865 1.00 1.34 N ATOM 0 H HIS A 137 12.147 8.032 5.159 1.00 0.33 H new ATOM 0 HA HIS A 137 12.278 10.930 4.847 1.00 0.35 H new ATOM 0 HB2 HIS A 137 12.297 8.582 2.930 1.00 0.45 H new ATOM 0 HB3 HIS A 137 12.008 10.207 2.342 1.00 0.45 H new ATOM 0 HD2 HIS A 137 14.250 11.925 2.407 1.00 1.53 H new ATOM 0 HE1 HIS A 137 17.041 8.923 3.485 1.00 0.95 H new ATOM 0 HE2 HIS A 137 16.771 11.317 2.666 1.00 1.34 H new ATOM 2152 N LEU A 138 9.560 9.189 4.307 1.00 0.26 N ATOM 2153 CA LEU A 138 8.151 9.270 3.940 1.00 0.25 C ATOM 2154 C LEU A 138 7.282 9.743 5.106 1.00 0.24 C ATOM 2155 O LEU A 138 6.414 10.601 4.934 1.00 0.25 O ATOM 2156 CB LEU A 138 7.678 7.903 3.452 1.00 0.23 C ATOM 2157 CG LEU A 138 6.323 7.894 2.755 1.00 0.23 C ATOM 2158 CD1 LEU A 138 6.362 8.781 1.522 1.00 0.26 C ATOM 2159 CD2 LEU A 138 5.933 6.472 2.387 1.00 0.22 C ATOM 0 H LEU A 138 9.871 8.258 4.582 1.00 0.26 H new ATOM 0 HA LEU A 138 8.050 10.007 3.143 1.00 0.25 H new ATOM 0 HB2 LEU A 138 8.424 7.502 2.766 1.00 0.23 H new ATOM 0 HB3 LEU A 138 7.634 7.226 4.305 1.00 0.23 H new ATOM 0 HG LEU A 138 5.570 8.290 3.437 1.00 0.23 H new ATOM 0 HD11 LEU A 138 5.388 8.767 1.032 1.00 0.26 H new ATOM 0 HD12 LEU A 138 6.605 9.802 1.816 1.00 0.26 H new ATOM 0 HD13 LEU A 138 7.121 8.412 0.832 1.00 0.26 H new ATOM 0 HD21 LEU A 138 4.963 6.478 1.890 1.00 0.22 H new ATOM 0 HD22 LEU A 138 6.682 6.051 1.716 1.00 0.22 H new ATOM 0 HD23 LEU A 138 5.874 5.866 3.291 1.00 0.22 H new ATOM 2171 N GLU A 139 7.529 9.177 6.284 1.00 0.26 N ATOM 2172 CA GLU A 139 6.751 9.472 7.492 1.00 0.29 C ATOM 2173 C GLU A 139 6.579 10.982 7.735 1.00 0.30 C ATOM 2174 O GLU A 139 5.454 11.426 7.978 1.00 0.30 O ATOM 2175 CB GLU A 139 7.395 8.773 8.704 1.00 0.36 C ATOM 2176 CG GLU A 139 6.632 8.905 10.020 1.00 0.52 C ATOM 2177 CD GLU A 139 6.965 10.177 10.773 1.00 1.00 C ATOM 2178 OE1 GLU A 139 8.151 10.389 11.098 1.00 1.46 O ATOM 2179 OE2 GLU A 139 6.045 10.980 11.020 1.00 1.74 O ATOM 0 H GLU A 139 8.276 8.498 6.432 1.00 0.26 H new ATOM 0 HA GLU A 139 5.745 9.080 7.346 1.00 0.29 H new ATOM 0 HB2 GLU A 139 7.507 7.714 8.473 1.00 0.36 H new ATOM 0 HB3 GLU A 139 8.398 9.176 8.843 1.00 0.36 H new ATOM 0 HG2 GLU A 139 5.561 8.879 9.817 1.00 0.52 H new ATOM 0 HG3 GLU A 139 6.857 8.046 10.652 1.00 0.52 H new ATOM 2186 N PRO A 140 7.663 11.802 7.674 1.00 0.33 N ATOM 2187 CA PRO A 140 7.552 13.252 7.875 1.00 0.36 C ATOM 2188 C PRO A 140 6.462 13.892 7.019 1.00 0.31 C ATOM 2189 O PRO A 140 5.702 14.723 7.508 1.00 0.36 O ATOM 2190 CB PRO A 140 8.927 13.783 7.468 1.00 0.42 C ATOM 2191 CG PRO A 140 9.851 12.650 7.730 1.00 0.42 C ATOM 2192 CD PRO A 140 9.067 11.397 7.441 1.00 0.35 C ATOM 0 HA PRO A 140 7.274 13.488 8.902 1.00 0.36 H new ATOM 0 HB2 PRO A 140 8.945 14.076 6.418 1.00 0.42 H new ATOM 0 HB3 PRO A 140 9.202 14.663 8.050 1.00 0.42 H new ATOM 0 HG2 PRO A 140 10.734 12.712 7.094 1.00 0.42 H new ATOM 0 HG3 PRO A 140 10.200 12.662 8.763 1.00 0.42 H new ATOM 0 HD2 PRO A 140 9.221 11.055 6.417 1.00 0.35 H new ATOM 0 HD3 PRO A 140 9.362 10.579 8.098 1.00 0.35 H new ATOM 2200 N TRP A 141 6.369 13.493 5.751 1.00 0.28 N ATOM 2201 CA TRP A 141 5.373 14.069 4.854 1.00 0.25 C ATOM 2202 C TRP A 141 3.985 13.558 5.216 1.00 0.22 C ATOM 2203 O TRP A 141 3.006 14.310 5.209 1.00 0.22 O ATOM 2204 CB TRP A 141 5.687 13.737 3.388 1.00 0.29 C ATOM 2205 CG TRP A 141 4.825 14.494 2.424 1.00 0.29 C ATOM 2206 CD1 TRP A 141 5.078 15.727 1.896 1.00 0.32 C ATOM 2207 CD2 TRP A 141 3.563 14.076 1.886 1.00 0.30 C ATOM 2208 NE1 TRP A 141 4.054 16.102 1.063 1.00 0.35 N ATOM 2209 CE2 TRP A 141 3.110 15.106 1.042 1.00 0.33 C ATOM 2210 CE3 TRP A 141 2.773 12.932 2.037 1.00 0.31 C ATOM 2211 CZ2 TRP A 141 1.901 15.027 0.353 1.00 0.36 C ATOM 2212 CZ3 TRP A 141 1.576 12.854 1.353 1.00 0.35 C ATOM 2213 CH2 TRP A 141 1.149 13.895 0.520 1.00 0.36 C ATOM 0 H TRP A 141 6.964 12.782 5.327 1.00 0.28 H new ATOM 0 HA TRP A 141 5.401 15.152 4.971 1.00 0.25 H new ATOM 0 HB2 TRP A 141 6.734 13.962 3.186 1.00 0.29 H new ATOM 0 HB3 TRP A 141 5.553 12.668 3.226 1.00 0.29 H new ATOM 0 HD1 TRP A 141 5.956 16.321 2.104 1.00 0.32 H new ATOM 0 HE1 TRP A 141 4.003 16.978 0.544 1.00 0.35 H new ATOM 0 HE3 TRP A 141 3.094 12.124 2.677 1.00 0.31 H new ATOM 0 HZ2 TRP A 141 1.569 15.829 -0.289 1.00 0.36 H new ATOM 0 HZ3 TRP A 141 0.959 11.975 1.463 1.00 0.35 H new ATOM 0 HH2 TRP A 141 0.208 13.803 -0.001 1.00 0.36 H new ATOM 2224 N ILE A 142 3.916 12.276 5.544 1.00 0.20 N ATOM 2225 CA ILE A 142 2.662 11.635 5.911 1.00 0.19 C ATOM 2226 C ILE A 142 2.041 12.322 7.124 1.00 0.20 C ATOM 2227 O ILE A 142 0.931 12.850 7.049 1.00 0.20 O ATOM 2228 CB ILE A 142 2.886 10.135 6.213 1.00 0.21 C ATOM 2229 CG1 ILE A 142 3.340 9.401 4.950 1.00 0.21 C ATOM 2230 CG2 ILE A 142 1.620 9.497 6.766 1.00 0.25 C ATOM 2231 CD1 ILE A 142 3.707 7.958 5.193 1.00 0.23 C ATOM 0 H ILE A 142 4.724 11.653 5.563 1.00 0.20 H new ATOM 0 HA ILE A 142 1.977 11.726 5.068 1.00 0.19 H new ATOM 0 HB ILE A 142 3.667 10.054 6.969 1.00 0.21 H new ATOM 0 HG12 ILE A 142 2.543 9.445 4.207 1.00 0.21 H new ATOM 0 HG13 ILE A 142 4.200 9.920 4.527 1.00 0.21 H new ATOM 0 HG21 ILE A 142 1.803 8.442 6.970 1.00 0.25 H new ATOM 0 HG22 ILE A 142 1.332 10.001 7.689 1.00 0.25 H new ATOM 0 HG23 ILE A 142 0.816 9.591 6.036 1.00 0.25 H new ATOM 0 HD11 ILE A 142 4.019 7.499 4.255 1.00 0.23 H new ATOM 0 HD12 ILE A 142 4.525 7.907 5.912 1.00 0.23 H new ATOM 0 HD13 ILE A 142 2.843 7.424 5.588 1.00 0.23 H new ATOM 2243 N GLN A 143 2.777 12.331 8.229 1.00 0.25 N ATOM 2244 CA GLN A 143 2.291 12.907 9.477 1.00 0.30 C ATOM 2245 C GLN A 143 2.041 14.410 9.332 1.00 0.29 C ATOM 2246 O GLN A 143 1.135 14.959 9.959 1.00 0.31 O ATOM 2247 CB GLN A 143 3.300 12.641 10.597 1.00 0.40 C ATOM 2248 CG GLN A 143 2.828 13.076 11.979 1.00 0.51 C ATOM 2249 CD GLN A 143 1.516 12.425 12.384 1.00 0.95 C ATOM 2250 OE1 GLN A 143 1.505 11.341 12.969 1.00 1.51 O ATOM 2251 NE2 GLN A 143 0.404 13.080 12.083 1.00 1.60 N ATOM 0 H GLN A 143 3.719 11.943 8.286 1.00 0.25 H new ATOM 0 HA GLN A 143 1.342 12.434 9.728 1.00 0.30 H new ATOM 0 HB2 GLN A 143 3.526 11.575 10.621 1.00 0.40 H new ATOM 0 HB3 GLN A 143 4.230 13.159 10.363 1.00 0.40 H new ATOM 0 HG2 GLN A 143 3.594 12.828 12.714 1.00 0.51 H new ATOM 0 HG3 GLN A 143 2.711 14.160 11.994 1.00 0.51 H new ATOM 0 HE21 GLN A 143 0.455 13.976 11.598 1.00 1.60 H new ATOM 0 HE22 GLN A 143 -0.503 12.688 12.337 1.00 1.60 H new ATOM 2260 N GLU A 144 2.838 15.060 8.491 1.00 0.29 N ATOM 2261 CA GLU A 144 2.708 16.496 8.252 1.00 0.33 C ATOM 2262 C GLU A 144 1.334 16.834 7.671 1.00 0.29 C ATOM 2263 O GLU A 144 0.762 17.884 7.970 1.00 0.35 O ATOM 2264 CB GLU A 144 3.815 16.969 7.306 1.00 0.41 C ATOM 2265 CG GLU A 144 3.846 18.467 7.071 1.00 0.64 C ATOM 2266 CD GLU A 144 5.008 18.880 6.193 1.00 1.09 C ATOM 2267 OE1 GLU A 144 6.162 18.846 6.667 1.00 1.25 O ATOM 2268 OE2 GLU A 144 4.776 19.240 5.020 1.00 1.75 O ATOM 0 H GLU A 144 3.586 14.614 7.960 1.00 0.29 H new ATOM 0 HA GLU A 144 2.807 17.014 9.206 1.00 0.33 H new ATOM 0 HB2 GLU A 144 4.778 16.658 7.710 1.00 0.41 H new ATOM 0 HB3 GLU A 144 3.695 16.466 6.346 1.00 0.41 H new ATOM 0 HG2 GLU A 144 2.911 18.780 6.606 1.00 0.64 H new ATOM 0 HG3 GLU A 144 3.914 18.983 8.029 1.00 0.64 H new ATOM 2275 N ASN A 145 0.798 15.935 6.855 1.00 0.24 N ATOM 2276 CA ASN A 145 -0.513 16.144 6.244 1.00 0.28 C ATOM 2277 C ASN A 145 -1.618 15.515 7.084 1.00 0.30 C ATOM 2278 O ASN A 145 -2.770 15.448 6.658 1.00 0.42 O ATOM 2279 CB ASN A 145 -0.549 15.589 4.813 1.00 0.32 C ATOM 2280 CG ASN A 145 0.233 16.452 3.836 1.00 0.34 C ATOM 2281 OD1 ASN A 145 -0.313 17.385 3.247 1.00 0.40 O ATOM 2282 ND2 ASN A 145 1.512 16.151 3.648 1.00 0.33 N ATOM 0 H ASN A 145 1.248 15.056 6.600 1.00 0.24 H new ATOM 0 HA ASN A 145 -0.687 17.219 6.200 1.00 0.28 H new ATOM 0 HB2 ASN A 145 -0.141 14.578 4.808 1.00 0.32 H new ATOM 0 HB3 ASN A 145 -1.585 15.516 4.481 1.00 0.32 H new ATOM 0 HD21 ASN A 145 2.075 16.700 2.998 1.00 0.33 H new ATOM 0 HD22 ASN A 145 1.932 15.371 4.153 1.00 0.33 H new ATOM 2289 N GLY A 146 -1.267 15.069 8.282 1.00 0.25 N ATOM 2290 CA GLY A 146 -2.255 14.525 9.194 1.00 0.30 C ATOM 2291 C GLY A 146 -1.927 13.118 9.643 1.00 0.30 C ATOM 2292 O GLY A 146 -2.235 12.729 10.770 1.00 0.41 O ATOM 0 H GLY A 146 -0.312 15.074 8.640 1.00 0.25 H new ATOM 0 HA2 GLY A 146 -2.331 15.172 10.068 1.00 0.30 H new ATOM 0 HA3 GLY A 146 -3.231 14.528 8.709 1.00 0.30 H new ATOM 2296 N GLY A 147 -1.278 12.362 8.775 1.00 0.24 N ATOM 2297 CA GLY A 147 -0.914 11.005 9.107 1.00 0.22 C ATOM 2298 C GLY A 147 -1.624 10.003 8.224 1.00 0.19 C ATOM 2299 O GLY A 147 -2.228 10.374 7.216 1.00 0.20 O ATOM 0 H GLY A 147 -0.996 12.666 7.843 1.00 0.24 H new ATOM 0 HA2 GLY A 147 0.164 10.882 9.003 1.00 0.22 H new ATOM 0 HA3 GLY A 147 -1.158 10.808 10.151 1.00 0.22 H new ATOM 2303 N TRP A 148 -1.555 8.732 8.593 1.00 0.20 N ATOM 2304 CA TRP A 148 -2.202 7.681 7.823 1.00 0.21 C ATOM 2305 C TRP A 148 -3.719 7.835 7.818 1.00 0.23 C ATOM 2306 O TRP A 148 -4.372 7.440 6.855 1.00 0.25 O ATOM 2307 CB TRP A 148 -1.831 6.299 8.357 1.00 0.23 C ATOM 2308 CG TRP A 148 -0.434 5.878 8.016 1.00 0.23 C ATOM 2309 CD1 TRP A 148 0.593 5.638 8.885 1.00 0.28 C ATOM 2310 CD2 TRP A 148 0.089 5.645 6.703 1.00 0.22 C ATOM 2311 NE1 TRP A 148 1.714 5.253 8.194 1.00 0.29 N ATOM 2312 CE2 TRP A 148 1.433 5.253 6.854 1.00 0.25 C ATOM 2313 CE3 TRP A 148 -0.448 5.723 5.414 1.00 0.22 C ATOM 2314 CZ2 TRP A 148 2.242 4.939 5.769 1.00 0.26 C ATOM 2315 CZ3 TRP A 148 0.362 5.414 4.337 1.00 0.23 C ATOM 2316 CH2 TRP A 148 1.694 5.024 4.522 1.00 0.24 C ATOM 0 H TRP A 148 -1.057 8.404 9.421 1.00 0.20 H new ATOM 0 HA TRP A 148 -1.843 7.776 6.798 1.00 0.21 H new ATOM 0 HB2 TRP A 148 -1.948 6.294 9.441 1.00 0.23 H new ATOM 0 HB3 TRP A 148 -2.530 5.565 7.957 1.00 0.23 H new ATOM 0 HD1 TRP A 148 0.531 5.737 9.959 1.00 0.28 H new ATOM 0 HE1 TRP A 148 2.612 5.007 8.611 1.00 0.29 H new ATOM 0 HE3 TRP A 148 -1.476 6.019 5.263 1.00 0.22 H new ATOM 0 HZ2 TRP A 148 3.270 4.638 5.908 1.00 0.26 H new ATOM 0 HZ3 TRP A 148 -0.039 5.474 3.336 1.00 0.23 H new ATOM 0 HH2 TRP A 148 2.300 4.786 3.660 1.00 0.24 H new ATOM 2327 N ASP A 149 -4.278 8.420 8.876 1.00 0.26 N ATOM 2328 CA ASP A 149 -5.735 8.584 8.973 1.00 0.31 C ATOM 2329 C ASP A 149 -6.265 9.421 7.810 1.00 0.30 C ATOM 2330 O ASP A 149 -7.428 9.300 7.424 1.00 0.37 O ATOM 2331 CB ASP A 149 -6.144 9.225 10.308 1.00 0.40 C ATOM 2332 CG ASP A 149 -5.776 10.692 10.411 1.00 1.24 C ATOM 2333 OD1 ASP A 149 -6.582 11.544 9.990 1.00 1.96 O ATOM 2334 OD2 ASP A 149 -4.670 10.998 10.897 1.00 1.94 O ATOM 0 H ASP A 149 -3.755 8.786 9.672 1.00 0.26 H new ATOM 0 HA ASP A 149 -6.176 7.589 8.924 1.00 0.31 H new ATOM 0 HB2 ASP A 149 -7.221 9.118 10.438 1.00 0.40 H new ATOM 0 HB3 ASP A 149 -5.669 8.681 11.124 1.00 0.40 H new ATOM 2339 N THR A 150 -5.402 10.256 7.251 1.00 0.27 N ATOM 2340 CA THR A 150 -5.738 11.034 6.073 1.00 0.29 C ATOM 2341 C THR A 150 -5.860 10.116 4.859 1.00 0.28 C ATOM 2342 O THR A 150 -6.864 10.132 4.146 1.00 0.33 O ATOM 2343 CB THR A 150 -4.649 12.090 5.808 1.00 0.33 C ATOM 2344 OG1 THR A 150 -4.366 12.804 7.018 1.00 0.38 O ATOM 2345 CG2 THR A 150 -5.084 13.067 4.727 1.00 0.37 C ATOM 0 H THR A 150 -4.456 10.411 7.600 1.00 0.27 H new ATOM 0 HA THR A 150 -6.691 11.535 6.245 1.00 0.29 H new ATOM 0 HB THR A 150 -3.751 11.577 5.463 1.00 0.33 H new ATOM 0 HG1 THR A 150 -3.862 13.618 6.807 1.00 0.38 H new ATOM 0 HG21 THR A 150 -4.295 13.801 4.561 1.00 0.37 H new ATOM 0 HG22 THR A 150 -5.275 12.524 3.801 1.00 0.37 H new ATOM 0 HG23 THR A 150 -5.994 13.577 5.043 1.00 0.37 H new ATOM 2353 N PHE A 151 -4.837 9.297 4.658 1.00 0.24 N ATOM 2354 CA PHE A 151 -4.766 8.402 3.511 1.00 0.25 C ATOM 2355 C PHE A 151 -5.811 7.286 3.606 1.00 0.26 C ATOM 2356 O PHE A 151 -6.466 6.949 2.617 1.00 0.30 O ATOM 2357 CB PHE A 151 -3.356 7.810 3.412 1.00 0.25 C ATOM 2358 CG PHE A 151 -3.176 6.871 2.257 1.00 0.27 C ATOM 2359 CD1 PHE A 151 -3.124 7.348 0.960 1.00 0.39 C ATOM 2360 CD2 PHE A 151 -3.049 5.510 2.471 1.00 0.26 C ATOM 2361 CE1 PHE A 151 -2.949 6.488 -0.103 1.00 0.43 C ATOM 2362 CE2 PHE A 151 -2.876 4.643 1.413 1.00 0.28 C ATOM 2363 CZ PHE A 151 -2.861 5.132 0.117 1.00 0.34 C ATOM 0 H PHE A 151 -4.034 9.234 5.284 1.00 0.24 H new ATOM 0 HA PHE A 151 -4.983 8.976 2.610 1.00 0.25 H new ATOM 0 HB2 PHE A 151 -2.636 8.623 3.323 1.00 0.25 H new ATOM 0 HB3 PHE A 151 -3.128 7.281 4.338 1.00 0.25 H new ATOM 0 HD1 PHE A 151 -3.222 8.408 0.778 1.00 0.39 H new ATOM 0 HD2 PHE A 151 -3.086 5.122 3.478 1.00 0.26 H new ATOM 0 HE1 PHE A 151 -2.881 6.878 -1.108 1.00 0.43 H new ATOM 0 HE2 PHE A 151 -2.753 3.585 1.594 1.00 0.28 H new ATOM 0 HZ PHE A 151 -2.781 4.452 -0.718 1.00 0.34 H new ATOM 2373 N VAL A 152 -5.980 6.729 4.804 1.00 0.25 N ATOM 2374 CA VAL A 152 -6.922 5.633 5.021 1.00 0.29 C ATOM 2375 C VAL A 152 -8.363 6.121 4.881 1.00 0.35 C ATOM 2376 O VAL A 152 -9.285 5.342 4.658 1.00 0.45 O ATOM 2377 CB VAL A 152 -6.719 4.988 6.410 1.00 0.29 C ATOM 2378 CG1 VAL A 152 -7.656 3.810 6.614 1.00 0.35 C ATOM 2379 CG2 VAL A 152 -5.276 4.547 6.581 1.00 0.28 C ATOM 0 H VAL A 152 -5.475 7.020 5.641 1.00 0.25 H new ATOM 0 HA VAL A 152 -6.729 4.879 4.258 1.00 0.29 H new ATOM 0 HB VAL A 152 -6.953 5.739 7.165 1.00 0.29 H new ATOM 0 HG11 VAL A 152 -7.488 3.378 7.601 1.00 0.35 H new ATOM 0 HG12 VAL A 152 -8.689 4.149 6.537 1.00 0.35 H new ATOM 0 HG13 VAL A 152 -7.464 3.056 5.851 1.00 0.35 H new ATOM 0 HG21 VAL A 152 -5.148 4.094 7.564 1.00 0.28 H new ATOM 0 HG22 VAL A 152 -5.025 3.818 5.811 1.00 0.28 H new ATOM 0 HG23 VAL A 152 -4.618 5.412 6.491 1.00 0.28 H new ATOM 2389 N GLU A 153 -8.544 7.424 4.990 1.00 0.37 N ATOM 2390 CA GLU A 153 -9.850 8.031 4.805 1.00 0.46 C ATOM 2391 C GLU A 153 -10.220 8.069 3.322 1.00 0.51 C ATOM 2392 O GLU A 153 -11.396 8.120 2.962 1.00 0.62 O ATOM 2393 CB GLU A 153 -9.842 9.441 5.392 1.00 0.52 C ATOM 2394 CG GLU A 153 -11.183 10.144 5.342 1.00 0.70 C ATOM 2395 CD GLU A 153 -11.143 11.492 6.021 1.00 1.35 C ATOM 2396 OE1 GLU A 153 -10.730 12.476 5.374 1.00 2.17 O ATOM 2397 OE2 GLU A 153 -11.515 11.575 7.207 1.00 1.42 O ATOM 0 H GLU A 153 -7.799 8.086 5.207 1.00 0.37 H new ATOM 0 HA GLU A 153 -10.599 7.432 5.323 1.00 0.46 H new ATOM 0 HB2 GLU A 153 -9.511 9.388 6.429 1.00 0.52 H new ATOM 0 HB3 GLU A 153 -9.109 10.042 4.854 1.00 0.52 H new ATOM 0 HG2 GLU A 153 -11.487 10.271 4.303 1.00 0.70 H new ATOM 0 HG3 GLU A 153 -11.937 9.520 5.821 1.00 0.70 H new ATOM 2404 N LEU A 154 -9.207 8.020 2.464 1.00 0.50 N ATOM 2405 CA LEU A 154 -9.424 8.107 1.024 1.00 0.59 C ATOM 2406 C LEU A 154 -9.738 6.738 0.421 1.00 0.68 C ATOM 2407 O LEU A 154 -10.643 6.611 -0.403 1.00 0.74 O ATOM 2408 CB LEU A 154 -8.201 8.721 0.333 1.00 0.65 C ATOM 2409 CG LEU A 154 -7.826 10.130 0.801 1.00 0.64 C ATOM 2410 CD1 LEU A 154 -6.540 10.592 0.130 1.00 0.75 C ATOM 2411 CD2 LEU A 154 -8.958 11.107 0.515 1.00 0.67 C ATOM 0 H LEU A 154 -8.230 7.921 2.739 1.00 0.50 H new ATOM 0 HA LEU A 154 -10.287 8.753 0.859 1.00 0.59 H new ATOM 0 HB2 LEU A 154 -7.346 8.063 0.491 1.00 0.65 H new ATOM 0 HB3 LEU A 154 -8.387 8.750 -0.741 1.00 0.65 H new ATOM 0 HG LEU A 154 -7.660 10.101 1.878 1.00 0.64 H new ATOM 0 HD11 LEU A 154 -6.290 11.595 0.475 1.00 0.75 H new ATOM 0 HD12 LEU A 154 -5.731 9.908 0.385 1.00 0.75 H new ATOM 0 HD13 LEU A 154 -6.678 10.604 -0.951 1.00 0.75 H new ATOM 0 HD21 LEU A 154 -8.673 12.103 0.854 1.00 0.67 H new ATOM 0 HD22 LEU A 154 -9.155 11.131 -0.557 1.00 0.67 H new ATOM 0 HD23 LEU A 154 -9.857 10.787 1.042 1.00 0.67 H new ATOM 2423 N TYR A 155 -9.003 5.710 0.840 1.00 0.75 N ATOM 2424 CA TYR A 155 -9.193 4.364 0.290 1.00 0.90 C ATOM 2425 C TYR A 155 -9.863 3.444 1.306 1.00 0.97 C ATOM 2426 O TYR A 155 -9.877 2.221 1.144 1.00 1.15 O ATOM 2427 CB TYR A 155 -7.852 3.767 -0.162 1.00 0.98 C ATOM 2428 CG TYR A 155 -7.202 4.533 -1.292 1.00 0.98 C ATOM 2429 CD1 TYR A 155 -7.547 4.287 -2.614 1.00 1.05 C ATOM 2430 CD2 TYR A 155 -6.250 5.508 -1.033 1.00 0.98 C ATOM 2431 CE1 TYR A 155 -6.960 4.992 -3.646 1.00 1.10 C ATOM 2432 CE2 TYR A 155 -5.657 6.216 -2.061 1.00 1.03 C ATOM 2433 CZ TYR A 155 -6.016 5.956 -3.365 1.00 1.08 C ATOM 2434 OH TYR A 155 -5.431 6.666 -4.391 1.00 1.17 O ATOM 0 H TYR A 155 -8.276 5.779 1.552 1.00 0.75 H new ATOM 0 HA TYR A 155 -9.848 4.450 -0.577 1.00 0.90 H new ATOM 0 HB2 TYR A 155 -7.170 3.740 0.688 1.00 0.98 H new ATOM 0 HB3 TYR A 155 -8.010 2.735 -0.476 1.00 0.98 H new ATOM 0 HD1 TYR A 155 -8.286 3.532 -2.839 1.00 1.05 H new ATOM 0 HD2 TYR A 155 -5.968 5.717 -0.012 1.00 0.98 H new ATOM 0 HE1 TYR A 155 -7.239 4.789 -4.669 1.00 1.10 H new ATOM 0 HE2 TYR A 155 -4.915 6.970 -1.843 1.00 1.03 H new ATOM 0 HH TYR A 155 -4.789 7.307 -4.021 1.00 1.17 H new ATOM 2444 N GLY A 156 -10.438 4.039 2.339 1.00 0.89 N ATOM 2445 CA GLY A 156 -11.098 3.266 3.370 1.00 1.02 C ATOM 2446 C GLY A 156 -12.546 3.668 3.532 1.00 1.11 C ATOM 2447 O GLY A 156 -12.910 4.818 3.277 1.00 1.68 O ATOM 0 H GLY A 156 -10.459 5.049 2.482 1.00 0.89 H new ATOM 0 HA2 GLY A 156 -11.040 2.206 3.123 1.00 1.02 H new ATOM 0 HA3 GLY A 156 -10.575 3.401 4.317 1.00 1.02 H new ATOM 2451 N ASN A 157 -13.374 2.727 3.958 1.00 1.62 N ATOM 2452 CA ASN A 157 -14.800 2.978 4.107 1.00 2.05 C ATOM 2453 C ASN A 157 -15.138 3.321 5.550 1.00 2.33 C ATOM 2454 O ASN A 157 -16.236 3.799 5.845 1.00 2.52 O ATOM 2455 CB ASN A 157 -15.611 1.754 3.667 1.00 3.21 C ATOM 2456 CG ASN A 157 -15.386 1.389 2.214 1.00 3.90 C ATOM 2457 OD1 ASN A 157 -14.509 0.582 1.893 1.00 4.30 O ATOM 2458 ND2 ASN A 157 -16.167 1.983 1.327 1.00 4.60 N ATOM 0 H ASN A 157 -13.083 1.782 4.207 1.00 1.62 H new ATOM 0 HA ASN A 157 -15.059 3.825 3.472 1.00 2.05 H new ATOM 0 HB2 ASN A 157 -15.346 0.904 4.295 1.00 3.21 H new ATOM 0 HB3 ASN A 157 -16.671 1.950 3.827 1.00 3.21 H new ATOM 0 HD21 ASN A 157 -16.057 1.780 0.333 1.00 4.60 H new ATOM 0 HD22 ASN A 157 -16.880 2.644 1.637 1.00 4.60 H new ATOM 2465 N ASN A 158 -14.180 3.093 6.441 1.00 2.99 N ATOM 2466 CA ASN A 158 -14.397 3.287 7.871 1.00 4.03 C ATOM 2467 C ASN A 158 -14.730 4.742 8.180 1.00 4.18 C ATOM 2468 O ASN A 158 -15.727 5.028 8.844 1.00 4.81 O ATOM 2469 CB ASN A 158 -13.162 2.850 8.662 1.00 5.08 C ATOM 2470 CG ASN A 158 -13.375 2.908 10.165 1.00 5.98 C ATOM 2471 OD1 ASN A 158 -13.869 1.956 10.766 1.00 6.22 O ATOM 2472 ND2 ASN A 158 -12.986 4.012 10.786 1.00 6.76 N ATOM 0 H ASN A 158 -13.243 2.773 6.198 1.00 2.99 H new ATOM 0 HA ASN A 158 -15.245 2.671 8.170 1.00 4.03 H new ATOM 0 HB2 ASN A 158 -12.895 1.833 8.377 1.00 5.08 H new ATOM 0 HB3 ASN A 158 -12.320 3.488 8.394 1.00 5.08 H new ATOM 0 HD21 ASN A 158 -13.092 4.093 11.797 1.00 6.76 H new ATOM 0 HD22 ASN A 158 -12.580 4.781 10.253 1.00 6.76 H new ATOM 2479 N ALA A 159 -13.906 5.657 7.676 1.00 3.95 N ATOM 2480 CA ALA A 159 -14.110 7.083 7.906 1.00 4.72 C ATOM 2481 C ALA A 159 -15.420 7.557 7.288 1.00 4.66 C ATOM 2482 O ALA A 159 -16.132 8.373 7.869 1.00 5.63 O ATOM 2483 CB ALA A 159 -12.942 7.878 7.350 1.00 4.78 C ATOM 0 H ALA A 159 -13.090 5.435 7.105 1.00 3.95 H new ATOM 0 HA ALA A 159 -14.167 7.248 8.982 1.00 4.72 H new ATOM 0 HB1 ALA A 159 -13.107 8.941 7.528 1.00 4.78 H new ATOM 0 HB2 ALA A 159 -12.022 7.566 7.844 1.00 4.78 H new ATOM 0 HB3 ALA A 159 -12.857 7.699 6.278 1.00 4.78 H new ATOM 2489 N ALA A 160 -15.740 7.026 6.113 1.00 3.75 N ATOM 2490 CA ALA A 160 -16.980 7.372 5.425 1.00 4.08 C ATOM 2491 C ALA A 160 -18.196 6.960 6.252 1.00 4.33 C ATOM 2492 O ALA A 160 -19.224 7.640 6.251 1.00 5.11 O ATOM 2493 CB ALA A 160 -17.023 6.711 4.057 1.00 3.59 C ATOM 0 H ALA A 160 -15.157 6.353 5.616 1.00 3.75 H new ATOM 0 HA ALA A 160 -17.009 8.454 5.295 1.00 4.08 H new ATOM 0 HB1 ALA A 160 -17.953 6.977 3.554 1.00 3.59 H new ATOM 0 HB2 ALA A 160 -16.177 7.053 3.461 1.00 3.59 H new ATOM 0 HB3 ALA A 160 -16.970 5.629 4.174 1.00 3.59 H new ATOM 2499 N ALA A 161 -18.068 5.847 6.968 1.00 3.93 N ATOM 2500 CA ALA A 161 -19.139 5.361 7.827 1.00 4.43 C ATOM 2501 C ALA A 161 -19.246 6.201 9.095 1.00 5.54 C ATOM 2502 O ALA A 161 -20.301 6.265 9.725 1.00 6.11 O ATOM 2503 CB ALA A 161 -18.919 3.896 8.174 1.00 4.39 C ATOM 0 H ALA A 161 -17.231 5.265 6.969 1.00 3.93 H new ATOM 0 HA ALA A 161 -20.079 5.452 7.282 1.00 4.43 H new ATOM 0 HB1 ALA A 161 -19.728 3.549 8.816 1.00 4.39 H new ATOM 0 HB2 ALA A 161 -18.902 3.304 7.259 1.00 4.39 H new ATOM 0 HB3 ALA A 161 -17.968 3.784 8.696 1.00 4.39 H new ATOM 2509 N GLU A 162 -18.153 6.856 9.465 1.00 5.98 N ATOM 2510 CA GLU A 162 -18.151 7.747 10.619 1.00 7.23 C ATOM 2511 C GLU A 162 -18.926 9.018 10.291 1.00 7.80 C ATOM 2512 O GLU A 162 -19.515 9.650 11.166 1.00 8.75 O ATOM 2513 CB GLU A 162 -16.719 8.099 11.029 1.00 7.72 C ATOM 2514 CG GLU A 162 -15.888 6.895 11.444 1.00 7.99 C ATOM 2515 CD GLU A 162 -16.461 6.181 12.649 1.00 8.68 C ATOM 2516 OE1 GLU A 162 -16.112 6.551 13.785 1.00 9.09 O ATOM 2517 OE2 GLU A 162 -17.270 5.248 12.464 1.00 9.03 O ATOM 0 H GLU A 162 -17.257 6.787 8.983 1.00 5.98 H new ATOM 0 HA GLU A 162 -18.632 7.236 11.453 1.00 7.23 H new ATOM 0 HB2 GLU A 162 -16.225 8.601 10.197 1.00 7.72 H new ATOM 0 HB3 GLU A 162 -16.751 8.809 11.855 1.00 7.72 H new ATOM 0 HG2 GLU A 162 -15.824 6.197 10.609 1.00 7.99 H new ATOM 0 HG3 GLU A 162 -14.872 7.219 11.667 1.00 7.99 H new ATOM 2524 N SER A 163 -18.938 9.369 9.013 1.00 7.39 N ATOM 2525 CA SER A 163 -19.639 10.552 8.541 1.00 8.21 C ATOM 2526 C SER A 163 -21.116 10.249 8.301 1.00 8.28 C ATOM 2527 O SER A 163 -21.901 11.134 7.956 1.00 9.15 O ATOM 2528 CB SER A 163 -18.988 11.042 7.251 1.00 8.03 C ATOM 2529 OG SER A 163 -17.582 11.125 7.404 1.00 7.86 O ATOM 0 H SER A 163 -18.464 8.844 8.278 1.00 7.39 H new ATOM 0 HA SER A 163 -19.573 11.329 9.303 1.00 8.21 H new ATOM 0 HB2 SER A 163 -19.231 10.363 6.434 1.00 8.03 H new ATOM 0 HB3 SER A 163 -19.389 12.020 6.983 1.00 8.03 H new ATOM 0 HG SER A 163 -17.199 10.223 7.401 1.00 7.86 H new ATOM 2535 N ARG A 164 -21.490 8.991 8.499 1.00 7.47 N ATOM 2536 CA ARG A 164 -22.858 8.550 8.269 1.00 7.60 C ATOM 2537 C ARG A 164 -23.744 8.921 9.456 1.00 8.33 C ATOM 2538 O ARG A 164 -24.971 8.884 9.370 1.00 8.87 O ATOM 2539 CB ARG A 164 -22.882 7.036 8.034 1.00 6.69 C ATOM 2540 CG ARG A 164 -24.206 6.511 7.509 1.00 6.19 C ATOM 2541 CD ARG A 164 -24.152 5.011 7.263 1.00 5.74 C ATOM 2542 NE ARG A 164 -23.134 4.649 6.276 1.00 5.66 N ATOM 2543 CZ ARG A 164 -22.782 3.394 5.995 1.00 5.62 C ATOM 2544 NH1 ARG A 164 -23.369 2.378 6.623 1.00 5.62 N ATOM 2545 NH2 ARG A 164 -21.846 3.152 5.080 1.00 6.02 N ATOM 0 H ARG A 164 -20.860 8.255 8.820 1.00 7.47 H new ATOM 0 HA ARG A 164 -23.248 9.051 7.383 1.00 7.60 H new ATOM 0 HB2 ARG A 164 -22.094 6.776 7.327 1.00 6.69 H new ATOM 0 HB3 ARG A 164 -22.649 6.530 8.971 1.00 6.69 H new ATOM 0 HG2 ARG A 164 -24.997 6.735 8.224 1.00 6.19 H new ATOM 0 HG3 ARG A 164 -24.460 7.024 6.582 1.00 6.19 H new ATOM 0 HD2 ARG A 164 -23.944 4.498 8.202 1.00 5.74 H new ATOM 0 HD3 ARG A 164 -25.127 4.665 6.920 1.00 5.74 H new ATOM 0 HE ARG A 164 -22.665 5.402 5.773 1.00 5.66 H new ATOM 0 HH11 ARG A 164 -24.090 2.558 7.321 1.00 5.62 H new ATOM 0 HH12 ARG A 164 -23.098 1.419 6.406 1.00 5.62 H new ATOM 0 HH21 ARG A 164 -21.397 3.927 4.593 1.00 6.02 H new ATOM 0 HH22 ARG A 164 -21.578 2.191 4.866 1.00 6.02 H new ATOM 2559 N LYS A 165 -23.107 9.309 10.555 1.00 8.52 N ATOM 2560 CA LYS A 165 -23.821 9.652 11.781 1.00 9.41 C ATOM 2561 C LYS A 165 -24.668 10.905 11.584 1.00 10.47 C ATOM 2562 O LYS A 165 -25.799 10.982 12.058 1.00 11.24 O ATOM 2563 CB LYS A 165 -22.825 9.853 12.923 1.00 9.61 C ATOM 2564 CG LYS A 165 -21.948 8.638 13.174 1.00 9.69 C ATOM 2565 CD LYS A 165 -20.933 8.900 14.271 1.00 10.12 C ATOM 2566 CE LYS A 165 -20.003 7.712 14.463 1.00 10.34 C ATOM 2567 NZ LYS A 165 -18.989 7.966 15.520 1.00 10.42 N ATOM 0 H LYS A 165 -22.093 9.394 10.623 1.00 8.52 H new ATOM 0 HA LYS A 165 -24.491 8.830 12.035 1.00 9.41 H new ATOM 0 HB2 LYS A 165 -22.191 10.710 12.697 1.00 9.61 H new ATOM 0 HB3 LYS A 165 -23.372 10.093 13.835 1.00 9.61 H new ATOM 0 HG2 LYS A 165 -22.572 7.788 13.450 1.00 9.69 H new ATOM 0 HG3 LYS A 165 -21.429 8.367 12.255 1.00 9.69 H new ATOM 0 HD2 LYS A 165 -20.348 9.786 14.023 1.00 10.12 H new ATOM 0 HD3 LYS A 165 -21.452 9.112 15.206 1.00 10.12 H new ATOM 0 HE2 LYS A 165 -20.589 6.831 14.726 1.00 10.34 H new ATOM 0 HE3 LYS A 165 -19.499 7.490 13.522 1.00 10.34 H new ATOM 0 HZ1 LYS A 165 -18.375 7.132 15.620 1.00 10.42 H new ATOM 0 HZ2 LYS A 165 -18.413 8.791 15.257 1.00 10.42 H new ATOM 0 HZ3 LYS A 165 -19.469 8.153 16.424 1.00 10.42 H new ATOM 2581 N GLY A 166 -24.115 11.880 10.881 1.00 10.61 N ATOM 2582 CA GLY A 166 -24.872 13.070 10.543 1.00 11.72 C ATOM 2583 C GLY A 166 -25.568 12.928 9.206 1.00 12.02 C ATOM 2584 O GLY A 166 -26.549 13.614 8.926 1.00 13.02 O ATOM 0 H GLY A 166 -23.155 11.870 10.537 1.00 10.61 H new ATOM 0 HA2 GLY A 166 -25.612 13.264 11.320 1.00 11.72 H new ATOM 0 HA3 GLY A 166 -24.204 13.931 10.516 1.00 11.72 H new ATOM 2588 N GLN A 167 -25.065 12.009 8.390 1.00 11.25 N ATOM 2589 CA GLN A 167 -25.601 11.775 7.049 1.00 11.64 C ATOM 2590 C GLN A 167 -27.035 11.245 7.117 1.00 12.01 C ATOM 2591 O GLN A 167 -27.859 11.536 6.245 1.00 12.84 O ATOM 2592 CB GLN A 167 -24.697 10.788 6.294 1.00 10.86 C ATOM 2593 CG GLN A 167 -25.149 10.466 4.879 1.00 11.50 C ATOM 2594 CD GLN A 167 -24.204 9.506 4.184 1.00 11.89 C ATOM 2595 OE1 GLN A 167 -23.560 8.675 4.826 1.00 11.87 O ATOM 2596 NE2 GLN A 167 -24.109 9.613 2.869 1.00 12.41 N ATOM 0 H GLN A 167 -24.279 11.407 8.635 1.00 11.25 H new ATOM 0 HA GLN A 167 -25.621 12.723 6.512 1.00 11.64 H new ATOM 0 HB2 GLN A 167 -23.688 11.199 6.254 1.00 10.86 H new ATOM 0 HB3 GLN A 167 -24.641 9.860 6.863 1.00 10.86 H new ATOM 0 HG2 GLN A 167 -26.149 10.033 4.908 1.00 11.50 H new ATOM 0 HG3 GLN A 167 -25.218 11.388 4.302 1.00 11.50 H new ATOM 0 HE21 GLN A 167 -24.659 10.314 2.373 1.00 12.41 H new ATOM 0 HE22 GLN A 167 -23.486 8.994 2.351 1.00 12.41 H new ATOM 2605 N GLU A 168 -27.334 10.489 8.169 1.00 11.51 N ATOM 2606 CA GLU A 168 -28.671 9.934 8.361 1.00 11.94 C ATOM 2607 C GLU A 168 -29.696 11.037 8.631 1.00 13.03 C ATOM 2608 O GLU A 168 -30.903 10.817 8.511 1.00 13.73 O ATOM 2609 CB GLU A 168 -28.672 8.921 9.509 1.00 11.38 C ATOM 2610 CG GLU A 168 -28.210 9.499 10.836 1.00 10.85 C ATOM 2611 CD GLU A 168 -28.268 8.494 11.967 1.00 10.80 C ATOM 2612 OE1 GLU A 168 -27.342 7.670 12.087 1.00 10.74 O ATOM 2613 OE2 GLU A 168 -29.240 8.529 12.751 1.00 10.98 O ATOM 0 H GLU A 168 -26.668 10.246 8.903 1.00 11.51 H new ATOM 0 HA GLU A 168 -28.955 9.425 7.440 1.00 11.94 H new ATOM 0 HB2 GLU A 168 -29.679 8.522 9.628 1.00 11.38 H new ATOM 0 HB3 GLU A 168 -28.026 8.084 9.243 1.00 11.38 H new ATOM 0 HG2 GLU A 168 -27.188 9.863 10.732 1.00 10.85 H new ATOM 0 HG3 GLU A 168 -28.831 10.359 11.088 1.00 10.85 H new ATOM 2620 N ARG A 169 -29.211 12.228 8.981 1.00 13.26 N ATOM 2621 CA ARG A 169 -30.089 13.368 9.223 1.00 14.38 C ATOM 2622 C ARG A 169 -30.561 13.959 7.897 1.00 15.16 C ATOM 2623 O ARG A 169 -31.573 14.654 7.837 1.00 16.19 O ATOM 2624 CB ARG A 169 -29.377 14.436 10.065 1.00 14.52 C ATOM 2625 CG ARG A 169 -30.243 15.649 10.379 1.00 14.72 C ATOM 2626 CD ARG A 169 -29.514 16.647 11.260 1.00 14.96 C ATOM 2627 NE ARG A 169 -30.313 17.848 11.510 1.00 14.97 N ATOM 2628 CZ ARG A 169 -30.330 18.505 12.669 1.00 15.22 C ATOM 2629 NH1 ARG A 169 -29.655 18.039 13.714 1.00 15.46 N ATOM 2630 NH2 ARG A 169 -31.041 19.619 12.795 1.00 15.37 N ATOM 0 H ARG A 169 -28.218 12.426 9.103 1.00 13.26 H new ATOM 0 HA ARG A 169 -30.958 13.021 9.782 1.00 14.38 H new ATOM 0 HB2 ARG A 169 -29.045 13.986 11.001 1.00 14.52 H new ATOM 0 HB3 ARG A 169 -28.483 14.766 9.536 1.00 14.52 H new ATOM 0 HG2 ARG A 169 -30.541 16.134 9.449 1.00 14.72 H new ATOM 0 HG3 ARG A 169 -31.157 15.325 10.876 1.00 14.72 H new ATOM 0 HD2 ARG A 169 -29.263 16.175 12.210 1.00 14.96 H new ATOM 0 HD3 ARG A 169 -28.574 16.930 10.786 1.00 14.96 H new ATOM 0 HE ARG A 169 -30.893 18.204 10.750 1.00 14.97 H new ATOM 0 HH11 ARG A 169 -29.120 17.174 13.631 1.00 15.46 H new ATOM 0 HH12 ARG A 169 -29.671 18.546 14.599 1.00 15.46 H new ATOM 0 HH21 ARG A 169 -31.577 19.975 12.003 1.00 15.37 H new ATOM 0 HH22 ARG A 169 -31.052 20.119 13.684 1.00 15.37 H new ATOM 2644 N LEU A 170 -29.824 13.680 6.831 1.00 14.77 N ATOM 2645 CA LEU A 170 -30.233 14.096 5.496 1.00 15.59 C ATOM 2646 C LEU A 170 -31.235 13.097 4.933 1.00 16.06 C ATOM 2647 O LEU A 170 -32.031 13.422 4.051 1.00 17.05 O ATOM 2648 CB LEU A 170 -29.027 14.224 4.553 1.00 15.16 C ATOM 2649 CG LEU A 170 -28.102 15.425 4.797 1.00 15.47 C ATOM 2650 CD1 LEU A 170 -28.905 16.715 4.874 1.00 16.05 C ATOM 2651 CD2 LEU A 170 -27.270 15.234 6.056 1.00 15.45 C ATOM 0 H LEU A 170 -28.942 13.169 6.864 1.00 14.77 H new ATOM 0 HA LEU A 170 -30.700 15.078 5.573 1.00 15.59 H new ATOM 0 HB2 LEU A 170 -28.434 13.313 4.630 1.00 15.16 H new ATOM 0 HB3 LEU A 170 -29.397 14.278 3.529 1.00 15.16 H new ATOM 0 HG LEU A 170 -27.417 15.495 3.952 1.00 15.47 H new ATOM 0 HD11 LEU A 170 -28.231 17.554 5.047 1.00 16.05 H new ATOM 0 HD12 LEU A 170 -29.440 16.867 3.936 1.00 16.05 H new ATOM 0 HD13 LEU A 170 -29.621 16.650 5.693 1.00 16.05 H new ATOM 0 HD21 LEU A 170 -26.626 16.101 6.201 1.00 15.45 H new ATOM 0 HD22 LEU A 170 -27.931 15.125 6.916 1.00 15.45 H new ATOM 0 HD23 LEU A 170 -26.656 14.339 5.954 1.00 15.45 H new ATOM 2663 N GLU A 171 -31.187 11.881 5.466 1.00 15.42 N ATOM 2664 CA GLU A 171 -32.108 10.824 5.070 1.00 15.90 C ATOM 2665 C GLU A 171 -33.526 11.165 5.523 1.00 16.52 C ATOM 2666 O GLU A 171 -34.485 11.029 4.762 1.00 17.29 O ATOM 2667 CB GLU A 171 -31.661 9.490 5.679 1.00 15.17 C ATOM 2668 CG GLU A 171 -32.539 8.306 5.304 1.00 15.22 C ATOM 2669 CD GLU A 171 -32.526 8.012 3.820 1.00 14.93 C ATOM 2670 OE1 GLU A 171 -31.470 7.596 3.301 1.00 14.68 O ATOM 2671 OE2 GLU A 171 -33.571 8.211 3.164 1.00 15.07 O ATOM 0 H GLU A 171 -30.513 11.602 6.180 1.00 15.42 H new ATOM 0 HA GLU A 171 -32.103 10.735 3.984 1.00 15.90 H new ATOM 0 HB2 GLU A 171 -30.639 9.284 5.363 1.00 15.17 H new ATOM 0 HB3 GLU A 171 -31.645 9.587 6.765 1.00 15.17 H new ATOM 0 HG2 GLU A 171 -32.202 7.423 5.847 1.00 15.22 H new ATOM 0 HG3 GLU A 171 -33.563 8.504 5.621 1.00 15.22 H new ATOM 2678 N HIS A 172 -33.651 11.621 6.763 1.00 16.27 N ATOM 2679 CA HIS A 172 -34.949 12.005 7.300 1.00 16.96 C ATOM 2680 C HIS A 172 -35.194 13.488 7.045 1.00 17.80 C ATOM 2681 O HIS A 172 -34.369 14.331 7.392 1.00 18.06 O ATOM 2682 CB HIS A 172 -35.031 11.701 8.798 1.00 16.71 C ATOM 2683 CG HIS A 172 -36.421 11.814 9.347 1.00 16.63 C ATOM 2684 ND1 HIS A 172 -36.846 12.872 10.117 1.00 16.51 N ATOM 2685 CD2 HIS A 172 -37.489 10.992 9.218 1.00 16.83 C ATOM 2686 CE1 HIS A 172 -38.115 12.697 10.437 1.00 16.61 C ATOM 2687 NE2 HIS A 172 -38.530 11.564 9.904 1.00 16.80 N ATOM 0 H HIS A 172 -32.873 11.733 7.413 1.00 16.27 H new ATOM 0 HA HIS A 172 -35.721 11.423 6.796 1.00 16.96 H new ATOM 0 HB2 HIS A 172 -34.656 10.694 8.979 1.00 16.71 H new ATOM 0 HB3 HIS A 172 -34.377 12.386 9.338 1.00 16.71 H new ATOM 0 HD2 HIS A 172 -37.516 10.059 8.675 1.00 16.83 H new ATOM 0 HE1 HIS A 172 -38.713 13.369 11.035 1.00 16.61 H new ATOM 0 HE2 HIS A 172 -39.470 11.177 9.988 1.00 16.80 H new ATOM 2696 N HIS A 173 -36.327 13.801 6.439 1.00 18.31 N ATOM 2697 CA HIS A 173 -36.609 15.167 6.021 1.00 19.22 C ATOM 2698 C HIS A 173 -37.188 15.996 7.162 1.00 19.76 C ATOM 2699 O HIS A 173 -36.645 17.049 7.491 1.00 19.79 O ATOM 2700 CB HIS A 173 -37.553 15.171 4.816 1.00 19.61 C ATOM 2701 CG HIS A 173 -36.965 14.510 3.606 1.00 20.05 C ATOM 2702 ND1 HIS A 173 -37.677 13.676 2.775 1.00 20.25 N ATOM 2703 CD2 HIS A 173 -35.713 14.567 3.093 1.00 20.44 C ATOM 2704 CE1 HIS A 173 -36.890 13.246 1.807 1.00 20.74 C ATOM 2705 NE2 HIS A 173 -35.692 13.771 1.976 1.00 20.87 N ATOM 0 H HIS A 173 -37.066 13.131 6.225 1.00 18.31 H new ATOM 0 HA HIS A 173 -35.665 15.628 5.729 1.00 19.22 H new ATOM 0 HB2 HIS A 173 -38.479 14.663 5.086 1.00 19.61 H new ATOM 0 HB3 HIS A 173 -37.814 16.200 4.570 1.00 19.61 H new ATOM 0 HD2 HIS A 173 -34.884 15.134 3.490 1.00 20.44 H new ATOM 0 HE1 HIS A 173 -37.178 12.577 1.010 1.00 20.74 H new ATOM 0 HE2 HIS A 173 -34.883 13.611 1.375 1.00 20.87 H new ATOM 2714 N HIS A 174 -38.277 15.510 7.762 1.00 20.30 N ATOM 2715 CA HIS A 174 -38.957 16.214 8.859 1.00 20.96 C ATOM 2716 C HIS A 174 -39.632 17.499 8.369 1.00 21.59 C ATOM 2717 O HIS A 174 -38.985 18.395 7.829 1.00 21.97 O ATOM 2718 CB HIS A 174 -37.975 16.524 10.006 1.00 21.33 C ATOM 2719 CG HIS A 174 -38.561 17.335 11.129 1.00 21.43 C ATOM 2720 ND1 HIS A 174 -39.324 16.787 12.135 1.00 21.76 N ATOM 2721 CD2 HIS A 174 -38.484 18.661 11.397 1.00 21.37 C ATOM 2722 CE1 HIS A 174 -39.692 17.738 12.973 1.00 21.89 C ATOM 2723 NE2 HIS A 174 -39.195 18.883 12.549 1.00 21.66 N ATOM 0 H HIS A 174 -38.712 14.624 7.506 1.00 20.30 H new ATOM 0 HA HIS A 174 -39.735 15.552 9.239 1.00 20.96 H new ATOM 0 HB2 HIS A 174 -37.601 15.584 10.411 1.00 21.33 H new ATOM 0 HB3 HIS A 174 -37.117 17.059 9.598 1.00 21.33 H new ATOM 0 HD2 HIS A 174 -37.961 19.404 10.813 1.00 21.37 H new ATOM 0 HE1 HIS A 174 -40.298 17.601 13.857 1.00 21.89 H new ATOM 0 HE2 HIS A 174 -39.319 19.788 13.004 1.00 21.66 H new ATOM 2732 N HIS A 175 -40.939 17.576 8.558 1.00 21.78 N ATOM 2733 CA HIS A 175 -41.693 18.777 8.215 1.00 22.46 C ATOM 2734 C HIS A 175 -41.924 19.631 9.454 1.00 23.08 C ATOM 2735 O HIS A 175 -41.646 19.201 10.575 1.00 23.17 O ATOM 2736 CB HIS A 175 -43.046 18.420 7.590 1.00 22.43 C ATOM 2737 CG HIS A 175 -42.947 17.706 6.281 1.00 22.30 C ATOM 2738 ND1 HIS A 175 -43.479 16.456 6.067 1.00 22.32 N ATOM 2739 CD2 HIS A 175 -42.398 18.083 5.104 1.00 22.27 C ATOM 2740 CE1 HIS A 175 -43.260 16.092 4.819 1.00 22.31 C ATOM 2741 NE2 HIS A 175 -42.606 17.063 4.211 1.00 22.28 N ATOM 0 H HIS A 175 -41.503 16.821 8.948 1.00 21.78 H new ATOM 0 HA HIS A 175 -41.106 19.338 7.488 1.00 22.46 H new ATOM 0 HB2 HIS A 175 -43.604 17.797 8.289 1.00 22.43 H new ATOM 0 HB3 HIS A 175 -43.621 19.335 7.449 1.00 22.43 H new ATOM 0 HD2 HIS A 175 -41.890 19.015 4.904 1.00 22.27 H new ATOM 0 HE1 HIS A 175 -43.564 15.158 4.371 1.00 22.31 H new ATOM 0 HE2 HIS A 175 -42.304 17.056 3.237 1.00 22.28 H new ATOM 2750 N HIS A 176 -42.423 20.840 9.246 1.00 23.60 N ATOM 2751 CA HIS A 176 -42.765 21.732 10.347 1.00 24.32 C ATOM 2752 C HIS A 176 -44.275 21.795 10.528 1.00 24.96 C ATOM 2753 O HIS A 176 -45.029 21.486 9.606 1.00 25.33 O ATOM 2754 CB HIS A 176 -42.220 23.143 10.100 1.00 24.63 C ATOM 2755 CG HIS A 176 -40.729 23.242 10.178 1.00 24.68 C ATOM 2756 ND1 HIS A 176 -39.986 24.065 9.361 1.00 24.97 N ATOM 2757 CD2 HIS A 176 -39.842 22.634 11.000 1.00 24.59 C ATOM 2758 CE1 HIS A 176 -38.710 23.959 9.678 1.00 25.05 C ATOM 2759 NE2 HIS A 176 -38.596 23.097 10.669 1.00 24.83 N ATOM 0 H HIS A 176 -42.601 21.229 8.320 1.00 23.60 H new ATOM 0 HA HIS A 176 -42.308 21.334 11.253 1.00 24.32 H new ATOM 0 HB2 HIS A 176 -42.545 23.480 9.116 1.00 24.63 H new ATOM 0 HB3 HIS A 176 -42.658 23.823 10.830 1.00 24.63 H new ATOM 0 HD2 HIS A 176 -40.074 21.917 11.773 1.00 24.59 H new ATOM 0 HE1 HIS A 176 -37.896 24.489 9.206 1.00 25.05 H new ATOM 0 HE2 HIS A 176 -37.722 22.820 11.116 1.00 24.83 H new ATOM 2768 N HIS A 177 -44.711 22.179 11.720 1.00 25.19 N ATOM 2769 CA HIS A 177 -46.135 22.348 11.989 1.00 25.89 C ATOM 2770 C HIS A 177 -46.667 23.563 11.237 1.00 26.38 C ATOM 2771 O HIS A 177 -45.898 24.464 10.889 1.00 26.64 O ATOM 2772 CB HIS A 177 -46.404 22.486 13.500 1.00 26.07 C ATOM 2773 CG HIS A 177 -45.982 23.797 14.097 1.00 26.41 C ATOM 2774 ND1 HIS A 177 -46.860 24.652 14.728 1.00 26.57 N ATOM 2775 CD2 HIS A 177 -44.769 24.392 14.171 1.00 26.71 C ATOM 2776 CE1 HIS A 177 -46.204 25.712 15.161 1.00 26.95 C ATOM 2777 NE2 HIS A 177 -44.935 25.577 14.836 1.00 27.04 N ATOM 0 H HIS A 177 -44.103 22.379 12.514 1.00 25.19 H new ATOM 0 HA HIS A 177 -46.658 21.458 11.639 1.00 25.89 H new ATOM 0 HB2 HIS A 177 -47.470 22.348 13.679 1.00 26.07 H new ATOM 0 HB3 HIS A 177 -45.886 21.681 14.022 1.00 26.07 H new ATOM 0 HD2 HIS A 177 -43.841 24.004 13.778 1.00 26.71 H new ATOM 0 HE1 HIS A 177 -46.635 26.548 15.692 1.00 26.95 H new ATOM 0 HE2 HIS A 177 -44.195 26.247 15.046 1.00 27.04 H new ATOM 2786 N LEU A 178 -47.977 23.577 10.996 1.00 26.60 N ATOM 2787 CA LEU A 178 -48.624 24.650 10.241 1.00 27.15 C ATOM 2788 C LEU A 178 -48.073 24.713 8.819 1.00 27.42 C ATOM 2789 O LEU A 178 -48.055 25.775 8.193 1.00 27.57 O ATOM 2790 CB LEU A 178 -48.436 26.005 10.939 1.00 27.23 C ATOM 2791 CG LEU A 178 -49.000 26.102 12.359 1.00 27.46 C ATOM 2792 CD1 LEU A 178 -48.741 27.483 12.941 1.00 27.88 C ATOM 2793 CD2 LEU A 178 -50.490 25.795 12.368 1.00 27.61 C ATOM 0 H LEU A 178 -48.617 22.850 11.316 1.00 26.60 H new ATOM 0 HA LEU A 178 -49.691 24.431 10.196 1.00 27.15 H new ATOM 0 HB2 LEU A 178 -47.370 26.230 10.975 1.00 27.23 H new ATOM 0 HB3 LEU A 178 -48.905 26.776 10.328 1.00 27.23 H new ATOM 0 HG LEU A 178 -48.493 25.363 12.979 1.00 27.46 H new ATOM 0 HD11 LEU A 178 -49.148 27.535 13.951 1.00 27.88 H new ATOM 0 HD12 LEU A 178 -47.667 27.669 12.973 1.00 27.88 H new ATOM 0 HD13 LEU A 178 -49.221 28.237 12.317 1.00 27.88 H new ATOM 0 HD21 LEU A 178 -50.871 25.870 13.387 1.00 27.61 H new ATOM 0 HD22 LEU A 178 -51.013 26.510 11.732 1.00 27.61 H new ATOM 0 HD23 LEU A 178 -50.656 24.786 11.992 1.00 27.61 H new ATOM 2805 N GLU A 179 -47.634 23.565 8.309 1.00 27.58 N ATOM 2806 CA GLU A 179 -47.079 23.487 6.964 1.00 27.93 C ATOM 2807 C GLU A 179 -48.169 23.718 5.924 1.00 28.01 C ATOM 2808 O GLU A 179 -47.908 24.235 4.838 1.00 27.88 O ATOM 2809 CB GLU A 179 -46.398 22.133 6.731 1.00 28.15 C ATOM 2810 CG GLU A 179 -47.339 20.939 6.812 1.00 28.46 C ATOM 2811 CD GLU A 179 -46.654 19.634 6.463 1.00 28.92 C ATOM 2812 OE1 GLU A 179 -46.150 19.508 5.329 1.00 29.07 O ATOM 2813 OE2 GLU A 179 -46.634 18.718 7.312 1.00 29.20 O ATOM 0 H GLU A 179 -47.653 22.676 8.809 1.00 27.58 H new ATOM 0 HA GLU A 179 -46.327 24.269 6.862 1.00 27.93 H new ATOM 0 HB2 GLU A 179 -45.924 22.142 5.750 1.00 28.15 H new ATOM 0 HB3 GLU A 179 -45.604 22.007 7.467 1.00 28.15 H new ATOM 0 HG2 GLU A 179 -47.749 20.872 7.820 1.00 28.46 H new ATOM 0 HG3 GLU A 179 -48.179 21.096 6.136 1.00 28.46 H new ATOM 2820 N HIS A 180 -49.394 23.342 6.265 1.00 28.32 N ATOM 2821 CA HIS A 180 -50.521 23.528 5.370 1.00 28.53 C ATOM 2822 C HIS A 180 -51.475 24.574 5.916 1.00 28.95 C ATOM 2823 O HIS A 180 -52.226 24.320 6.859 1.00 29.23 O ATOM 2824 CB HIS A 180 -51.256 22.210 5.132 1.00 28.74 C ATOM 2825 CG HIS A 180 -50.504 21.263 4.252 1.00 28.72 C ATOM 2826 ND1 HIS A 180 -50.255 19.954 4.590 1.00 28.77 N ATOM 2827 CD2 HIS A 180 -49.956 21.442 3.028 1.00 28.77 C ATOM 2828 CE1 HIS A 180 -49.588 19.368 3.614 1.00 28.84 C ATOM 2829 NE2 HIS A 180 -49.395 20.250 2.653 1.00 28.84 N ATOM 0 H HIS A 180 -49.630 22.906 7.157 1.00 28.32 H new ATOM 0 HA HIS A 180 -50.133 23.879 4.414 1.00 28.53 H new ATOM 0 HB2 HIS A 180 -51.446 21.730 6.092 1.00 28.74 H new ATOM 0 HB3 HIS A 180 -52.227 22.419 4.683 1.00 28.74 H new ATOM 0 HD2 HIS A 180 -49.960 22.356 2.453 1.00 28.77 H new ATOM 0 HE1 HIS A 180 -49.256 18.340 3.604 1.00 28.84 H new ATOM 0 HE2 HIS A 180 -48.908 20.074 1.774 1.00 28.84 H new ATOM 2838 N HIS A 181 -51.415 25.756 5.330 1.00 29.09 N ATOM 2839 CA HIS A 181 -52.290 26.852 5.716 1.00 29.57 C ATOM 2840 C HIS A 181 -53.093 27.306 4.503 1.00 29.91 C ATOM 2841 O HIS A 181 -53.907 28.228 4.585 1.00 30.13 O ATOM 2842 CB HIS A 181 -51.456 28.014 6.279 1.00 29.72 C ATOM 2843 CG HIS A 181 -52.272 29.146 6.836 1.00 29.81 C ATOM 2844 ND1 HIS A 181 -52.219 30.433 6.340 1.00 29.72 N ATOM 2845 CD2 HIS A 181 -53.152 29.179 7.863 1.00 30.08 C ATOM 2846 CE1 HIS A 181 -53.031 31.204 7.038 1.00 29.92 C ATOM 2847 NE2 HIS A 181 -53.609 30.468 7.967 1.00 30.14 N ATOM 0 H HIS A 181 -50.764 25.984 4.579 1.00 29.09 H new ATOM 0 HA HIS A 181 -52.979 26.517 6.492 1.00 29.57 H new ATOM 0 HB2 HIS A 181 -50.804 27.631 7.064 1.00 29.72 H new ATOM 0 HB3 HIS A 181 -50.812 28.400 5.489 1.00 29.72 H new ATOM 0 HD2 HIS A 181 -53.441 28.345 8.485 1.00 30.08 H new ATOM 0 HE1 HIS A 181 -53.195 32.259 6.876 1.00 29.92 H new ATOM 0 HE2 HIS A 181 -54.286 30.803 8.652 1.00 30.14 H new ATOM 2856 N HIS A 182 -52.861 26.624 3.382 1.00 30.03 N ATOM 2857 CA HIS A 182 -53.443 26.999 2.096 1.00 30.43 C ATOM 2858 C HIS A 182 -53.030 28.419 1.743 1.00 30.87 C ATOM 2859 O HIS A 182 -53.805 29.363 1.894 1.00 31.02 O ATOM 2860 CB HIS A 182 -54.972 26.861 2.108 1.00 30.52 C ATOM 2861 CG HIS A 182 -55.443 25.479 2.433 1.00 30.37 C ATOM 2862 ND1 HIS A 182 -56.271 25.196 3.496 1.00 30.34 N ATOM 2863 CD2 HIS A 182 -55.196 24.293 1.827 1.00 30.33 C ATOM 2864 CE1 HIS A 182 -56.512 23.900 3.532 1.00 30.28 C ATOM 2865 NE2 HIS A 182 -55.873 23.330 2.531 1.00 30.28 N ATOM 0 H HIS A 182 -52.265 25.797 3.341 1.00 30.03 H new ATOM 0 HA HIS A 182 -53.065 26.317 1.334 1.00 30.43 H new ATOM 0 HB2 HIS A 182 -55.386 27.558 2.836 1.00 30.52 H new ATOM 0 HB3 HIS A 182 -55.363 27.150 1.132 1.00 30.52 H new ATOM 0 HD2 HIS A 182 -54.581 24.135 0.953 1.00 30.33 H new ATOM 0 HE1 HIS A 182 -57.129 23.392 4.259 1.00 30.28 H new ATOM 0 HE2 HIS A 182 -55.880 22.333 2.314 1.00 30.28 H new ATOM 2874 N HIS A 183 -51.788 28.555 1.293 1.00 31.15 N ATOM 2875 CA HIS A 183 -51.183 29.865 1.068 1.00 31.67 C ATOM 2876 C HIS A 183 -51.974 30.674 0.049 1.00 32.06 C ATOM 2877 O HIS A 183 -52.582 31.687 0.393 1.00 32.12 O ATOM 2878 CB HIS A 183 -49.729 29.720 0.606 1.00 31.92 C ATOM 2879 CG HIS A 183 -48.823 29.112 1.633 1.00 31.89 C ATOM 2880 ND1 HIS A 183 -47.751 28.310 1.311 1.00 31.92 N ATOM 2881 CD2 HIS A 183 -48.830 29.199 2.984 1.00 31.92 C ATOM 2882 CE1 HIS A 183 -47.141 27.929 2.417 1.00 31.97 C ATOM 2883 NE2 HIS A 183 -47.775 28.453 3.448 1.00 31.97 N ATOM 0 H HIS A 183 -51.176 27.769 1.075 1.00 31.15 H new ATOM 0 HA HIS A 183 -51.200 30.400 2.017 1.00 31.67 H new ATOM 0 HB2 HIS A 183 -49.704 29.107 -0.295 1.00 31.92 H new ATOM 0 HB3 HIS A 183 -49.345 30.703 0.333 1.00 31.92 H new ATOM 0 HD2 HIS A 183 -49.535 29.753 3.586 1.00 31.92 H new ATOM 0 HE1 HIS A 183 -46.269 27.294 2.469 1.00 31.97 H new ATOM 0 HE2 HIS A 183 -47.523 28.325 4.428 1.00 31.97 H new ATOM 2892 N HIS A 184 -51.969 30.213 -1.199 1.00 32.40 N ATOM 2893 CA HIS A 184 -52.652 30.902 -2.298 1.00 32.88 C ATOM 2894 C HIS A 184 -52.047 32.287 -2.534 1.00 33.44 C ATOM 2895 O HIS A 184 -52.676 33.160 -3.130 1.00 33.70 O ATOM 2896 CB HIS A 184 -54.160 31.016 -2.028 1.00 33.08 C ATOM 2897 CG HIS A 184 -54.860 29.695 -1.942 1.00 32.98 C ATOM 2898 ND1 HIS A 184 -55.641 29.324 -0.869 1.00 33.08 N ATOM 2899 CD2 HIS A 184 -54.901 28.654 -2.809 1.00 32.87 C ATOM 2900 CE1 HIS A 184 -56.127 28.117 -1.078 1.00 33.03 C ATOM 2901 NE2 HIS A 184 -55.696 27.688 -2.247 1.00 32.91 N ATOM 0 H HIS A 184 -51.494 29.355 -1.480 1.00 32.40 H new ATOM 0 HA HIS A 184 -52.511 30.306 -3.200 1.00 32.88 H new ATOM 0 HB2 HIS A 184 -54.313 31.559 -1.095 1.00 33.08 H new ATOM 0 HB3 HIS A 184 -54.618 31.608 -2.820 1.00 33.08 H new ATOM 0 HD2 HIS A 184 -54.401 28.596 -3.764 1.00 32.87 H new ATOM 0 HE1 HIS A 184 -56.771 27.571 -0.404 1.00 33.03 H new ATOM 0 HE2 HIS A 184 -55.918 26.785 -2.666 1.00 32.91 H new ATOM 2910 N HIS A 185 -50.821 32.475 -2.071 1.00 33.68 N ATOM 2911 CA HIS A 185 -50.109 33.731 -2.255 1.00 34.28 C ATOM 2912 C HIS A 185 -48.813 33.481 -3.007 1.00 34.40 C ATOM 2913 O HIS A 185 -47.945 32.761 -2.467 1.00 34.51 O ATOM 2914 CB HIS A 185 -49.816 34.416 -0.914 1.00 34.66 C ATOM 2915 CG HIS A 185 -51.025 34.979 -0.230 1.00 35.20 C ATOM 2916 ND1 HIS A 185 -51.638 36.151 -0.626 1.00 35.58 N ATOM 2917 CD2 HIS A 185 -51.734 34.530 0.831 1.00 35.50 C ATOM 2918 CE1 HIS A 185 -52.666 36.394 0.165 1.00 36.07 C ATOM 2919 NE2 HIS A 185 -52.746 35.427 1.054 1.00 36.03 N ATOM 2920 OXT HIS A 185 -48.665 34.001 -4.130 1.00 34.44 O ATOM 0 H HIS A 185 -50.294 31.767 -1.560 1.00 33.68 H new ATOM 0 HA HIS A 185 -50.746 34.398 -2.835 1.00 34.28 H new ATOM 0 HB2 HIS A 185 -49.339 33.696 -0.249 1.00 34.66 H new ATOM 0 HB3 HIS A 185 -49.099 35.220 -1.080 1.00 34.66 H new ATOM 0 HD2 HIS A 185 -51.539 33.631 1.397 1.00 35.50 H new ATOM 0 HE1 HIS A 185 -53.330 37.243 0.095 1.00 36.07 H new ATOM 0 HE2 HIS A 185 -53.448 35.356 1.790 1.00 36.03 H new TER 2929 HIS A 185