USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 895 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 104 THR OG1 : rot 180:sc= 0.0574 USER MOD Set 1.2: A 105 ASN : amide:sc= -0.0451 K(o=0.012,f=-9.3!) USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 88 ASN : amide:sc= -0.441 K(o=-0.44,f=-1.7!) USER MOD Single : A 1 GLU N :NH3+ 165:sc= 0.593 (180deg=0.414) USER MOD Single : A 2 GLN : amide:sc= -0.723 K(o=-0.72,f=0) USER MOD Single : A 4 ASN : amide:sc= 0.12 K(o=0.12,f=-1.7!) USER MOD Single : A 9 THR OG1 : rot 57:sc= 1.18 USER MOD Single : A 10 TYR OH : rot 180:sc=-0.00973 USER MOD Single : A 11 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.27) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 18 ASN : amide:sc= -2.82! X(o=-2.8!,f=-2.5) USER MOD Single : A 19 ASN : amide:sc= -3.56! K(o=-3.6!,f=-0.55) USER MOD Single : A 28 SER OG : rot 63:sc= 1.19 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0618 USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 1.46 (180deg=1.06) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 44 SER OG : rot -71:sc= 0.967 USER MOD Single : A 45 LYS NZ :NH3+ -142:sc= 1.24 (180deg=0.506) USER MOD Single : A 46 TYR OH : rot -152:sc= 1.26 USER MOD Single : A 49 THR OG1 : rot 170:sc= -0.453 USER MOD Single : A 60 GLN : amide:sc= -1.02 K(o=-1,f=-0.12) USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= -0.0722 (180deg=-0.545) USER MOD Single : A 70 THR OG1 : rot 90:sc= 0.26 USER MOD Single : A 71 ASN : amide:sc= 0.736 K(o=0.74,f=-2.9!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0654 USER MOD Single : A 77 GLN : amide:sc= 0.501 K(o=0.5,f=-6!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.0158 K(o=0.016,f=-0.94) USER MOD Single : A 97 THR OG1 : rot 130:sc= -0.368 USER MOD Single : A 100 THR OG1 : rot -115:sc= 0.159 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc=-0.00707 X(o=-0.0071,f=-0.14) USER MOD Single : A 111 GLN : amide:sc= -0.466 X(o=-0.47,f=0) USER MOD Single : A 113 HIS : no HE2:sc= -0.647! C(o=-0.65!,f=-4.9!) USER MOD Single : A 115 ASN : amide:sc= -0.305 X(o=-0.31,f=0) USER MOD Single : A 117 ASN : amide:sc= 0.474 K(o=0.47,f=-6.4!) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.689 USER MOD Single : A 119 GLN : amide:sc= -5.38! K(o=-5.4!,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.618 12.319 0.473 1.00 0.00 N ATOM 2 CA GLU A 1 2.849 13.439 -0.502 1.00 0.00 C ATOM 3 C GLU A 1 4.006 13.098 -1.471 1.00 0.00 C ATOM 4 O GLU A 1 3.767 12.532 -2.524 1.00 0.00 O ATOM 5 CB GLU A 1 3.119 14.713 0.360 1.00 0.00 C ATOM 6 CG GLU A 1 3.548 15.932 -0.511 1.00 0.00 C ATOM 7 CD GLU A 1 3.641 17.191 0.364 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.566 17.547 0.814 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.742 17.688 0.516 1.00 0.00 O ATOM 0 H1 GLU A 1 2.028 12.659 1.259 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.135 11.534 -0.008 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.531 11.988 0.844 1.00 0.00 H new ATOM 0 HA GLU A 1 1.987 13.607 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.220 14.968 0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.899 14.497 1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.511 15.733 -0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.827 16.088 -1.314 1.00 0.00 H new ATOM 18 N GLN A 2 5.208 13.443 -1.100 1.00 0.00 N ATOM 19 CA GLN A 2 6.406 13.161 -1.943 1.00 0.00 C ATOM 20 C GLN A 2 7.554 12.650 -1.064 1.00 0.00 C ATOM 21 O GLN A 2 8.157 13.417 -0.337 1.00 0.00 O ATOM 22 CB GLN A 2 6.865 14.437 -2.661 1.00 0.00 C ATOM 23 CG GLN A 2 5.892 14.836 -3.789 1.00 0.00 C ATOM 24 CD GLN A 2 6.472 15.992 -4.607 1.00 0.00 C ATOM 25 OE1 GLN A 2 5.925 16.392 -5.610 1.00 0.00 O ATOM 26 NE2 GLN A 2 7.570 16.590 -4.256 1.00 0.00 N ATOM 0 H GLN A 2 5.416 13.922 -0.224 1.00 0.00 H new ATOM 0 HA GLN A 2 6.137 12.405 -2.680 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.942 15.252 -1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.861 14.283 -3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.706 13.980 -4.438 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.932 15.128 -3.364 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.069 16.290 -3.418 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.934 17.360 -4.818 1.00 0.00 H new ATOM 35 N ALA A 3 7.830 11.373 -1.135 1.00 0.00 N ATOM 36 CA ALA A 3 8.938 10.804 -0.312 1.00 0.00 C ATOM 37 C ALA A 3 9.939 10.004 -1.187 1.00 0.00 C ATOM 38 O ALA A 3 9.614 8.991 -1.784 1.00 0.00 O ATOM 39 CB ALA A 3 8.268 9.938 0.753 1.00 0.00 C ATOM 0 H ALA A 3 7.338 10.702 -1.725 1.00 0.00 H new ATOM 0 HA ALA A 3 9.536 11.587 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.030 9.491 1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.604 10.555 1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.691 9.149 0.270 1.00 0.00 H new ATOM 45 N ASN A 4 11.139 10.504 -1.247 1.00 0.00 N ATOM 46 CA ASN A 4 12.229 9.859 -2.036 1.00 0.00 C ATOM 47 C ASN A 4 13.245 9.263 -1.033 1.00 0.00 C ATOM 48 O ASN A 4 13.157 9.516 0.152 1.00 0.00 O ATOM 49 CB ASN A 4 12.840 10.962 -2.968 1.00 0.00 C ATOM 50 CG ASN A 4 12.915 12.343 -2.311 1.00 0.00 C ATOM 51 OD1 ASN A 4 13.104 12.537 -1.132 1.00 0.00 O ATOM 52 ND2 ASN A 4 12.773 13.386 -3.054 1.00 0.00 N ATOM 0 H ASN A 4 11.420 11.359 -0.768 1.00 0.00 H new ATOM 0 HA ASN A 4 11.885 9.042 -2.670 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.842 10.657 -3.270 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.241 11.032 -3.876 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.822 14.317 -2.641 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.611 13.281 -4.056 1.00 0.00 H new ATOM 59 N ASP A 5 14.168 8.486 -1.529 1.00 0.00 N ATOM 60 CA ASP A 5 15.226 7.817 -0.711 1.00 0.00 C ATOM 61 C ASP A 5 14.636 7.293 0.624 1.00 0.00 C ATOM 62 O ASP A 5 15.107 7.560 1.715 1.00 0.00 O ATOM 63 CB ASP A 5 16.378 8.876 -0.519 1.00 0.00 C ATOM 64 CG ASP A 5 17.577 8.271 0.228 1.00 0.00 C ATOM 65 OD1 ASP A 5 17.833 7.113 -0.083 1.00 0.00 O ATOM 66 OD2 ASP A 5 18.143 9.005 1.021 1.00 0.00 O ATOM 0 H ASP A 5 14.235 8.276 -2.525 1.00 0.00 H new ATOM 0 HA ASP A 5 15.630 6.933 -1.204 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.702 9.244 -1.493 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.997 9.734 0.035 1.00 0.00 H new ATOM 71 N VAL A 6 13.583 6.522 0.473 1.00 0.00 N ATOM 72 CA VAL A 6 12.905 5.946 1.673 1.00 0.00 C ATOM 73 C VAL A 6 13.169 4.428 1.687 1.00 0.00 C ATOM 74 O VAL A 6 13.137 3.758 0.665 1.00 0.00 O ATOM 75 CB VAL A 6 11.354 6.183 1.605 1.00 0.00 C ATOM 76 CG1 VAL A 6 10.673 5.970 2.992 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.960 7.589 1.122 1.00 0.00 C ATOM 0 H VAL A 6 13.168 6.270 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 6 13.293 6.427 2.571 1.00 0.00 H new ATOM 0 HB VAL A 6 11.008 5.447 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.601 6.144 2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.848 4.949 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.094 6.669 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.874 7.676 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.371 8.336 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.356 7.754 0.120 1.00 0.00 H new ATOM 87 N ARG A 7 13.416 3.922 2.866 1.00 0.00 N ATOM 88 CA ARG A 7 13.681 2.454 3.046 1.00 0.00 C ATOM 89 C ARG A 7 12.242 1.931 3.087 1.00 0.00 C ATOM 90 O ARG A 7 11.587 2.013 4.112 1.00 0.00 O ATOM 91 CB ARG A 7 14.414 2.263 4.379 1.00 0.00 C ATOM 92 CG ARG A 7 15.753 3.043 4.323 1.00 0.00 C ATOM 93 CD ARG A 7 16.089 3.621 5.700 1.00 0.00 C ATOM 94 NE ARG A 7 14.977 4.583 6.057 1.00 0.00 N ATOM 95 CZ ARG A 7 14.956 5.824 5.703 1.00 0.00 C ATOM 96 NH1 ARG A 7 16.032 6.415 5.370 1.00 0.00 N ATOM 97 NH2 ARG A 7 13.828 6.424 5.698 1.00 0.00 N ATOM 0 H ARG A 7 13.447 4.467 3.727 1.00 0.00 H new ATOM 0 HA ARG A 7 14.298 1.960 2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.800 2.624 5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.600 1.204 4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 7 16.554 2.381 3.994 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.683 3.847 3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 7 16.166 2.827 6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 7 17.051 4.133 5.679 1.00 0.00 H new ATOM 0 HE ARG A 7 14.197 4.229 6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.917 5.908 5.382 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.010 7.396 5.091 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.982 5.922 5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.773 7.405 5.424 1.00 0.00 H new ATOM 111 N ALA A 8 11.793 1.416 1.981 1.00 0.00 N ATOM 112 CA ALA A 8 10.399 0.915 1.957 1.00 0.00 C ATOM 113 C ALA A 8 10.300 -0.567 2.338 1.00 0.00 C ATOM 114 O ALA A 8 10.951 -1.439 1.787 1.00 0.00 O ATOM 115 CB ALA A 8 9.847 1.199 0.524 1.00 0.00 C ATOM 0 H ALA A 8 12.318 1.322 1.112 1.00 0.00 H new ATOM 0 HA ALA A 8 9.798 1.428 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.818 0.847 0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.878 2.271 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.460 0.678 -0.212 1.00 0.00 H new ATOM 121 N THR A 9 9.446 -0.754 3.304 1.00 0.00 N ATOM 122 CA THR A 9 9.140 -2.093 3.872 1.00 0.00 C ATOM 123 C THR A 9 8.055 -2.506 2.914 1.00 0.00 C ATOM 124 O THR A 9 6.977 -1.944 2.915 1.00 0.00 O ATOM 125 CB THR A 9 8.590 -1.935 5.294 1.00 0.00 C ATOM 126 OG1 THR A 9 7.664 -0.863 5.176 1.00 0.00 O ATOM 127 CG2 THR A 9 9.636 -1.328 6.218 1.00 0.00 C ATOM 0 H THR A 9 8.924 0.005 3.742 1.00 0.00 H new ATOM 0 HA THR A 9 9.974 -2.789 3.959 1.00 0.00 H new ATOM 0 HB THR A 9 8.229 -2.895 5.663 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.991 -1.085 4.499 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.221 -1.226 7.221 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.512 -1.976 6.252 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.926 -0.346 5.844 1.00 0.00 H new ATOM 135 N TYR A 10 8.332 -3.490 2.120 1.00 0.00 N ATOM 136 CA TYR A 10 7.286 -3.906 1.143 1.00 0.00 C ATOM 137 C TYR A 10 6.177 -4.798 1.744 1.00 0.00 C ATOM 138 O TYR A 10 6.104 -5.998 1.532 1.00 0.00 O ATOM 139 CB TYR A 10 8.066 -4.605 -0.012 1.00 0.00 C ATOM 140 CG TYR A 10 8.456 -6.061 0.345 1.00 0.00 C ATOM 141 CD1 TYR A 10 8.832 -6.455 1.623 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.399 -7.024 -0.636 1.00 0.00 C ATOM 143 CE1 TYR A 10 9.134 -7.768 1.906 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.702 -8.340 -0.342 1.00 0.00 C ATOM 145 CZ TYR A 10 9.069 -8.725 0.923 1.00 0.00 C ATOM 146 OH TYR A 10 9.348 -10.053 1.181 1.00 0.00 O ATOM 0 H TYR A 10 9.206 -4.015 2.097 1.00 0.00 H new ATOM 0 HA TYR A 10 6.725 -3.040 0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.454 -4.605 -0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.967 -4.034 -0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.888 -5.717 2.410 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.116 -6.750 -1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.424 -8.047 2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.649 -9.082 -1.125 1.00 0.00 H new ATOM 0 HH TYR A 10 9.246 -10.575 0.358 1.00 0.00 H new ATOM 156 N HIS A 11 5.317 -4.157 2.512 1.00 0.00 N ATOM 157 CA HIS A 11 4.202 -4.942 3.128 1.00 0.00 C ATOM 158 C HIS A 11 2.937 -4.500 2.387 1.00 0.00 C ATOM 159 O HIS A 11 2.558 -3.339 2.335 1.00 0.00 O ATOM 160 CB HIS A 11 4.115 -4.630 4.625 1.00 0.00 C ATOM 161 CG HIS A 11 3.249 -5.701 5.307 1.00 0.00 C ATOM 162 ND1 HIS A 11 3.615 -6.318 6.378 1.00 0.00 N ATOM 163 CD2 HIS A 11 2.001 -6.250 5.021 1.00 0.00 C ATOM 164 CE1 HIS A 11 2.706 -7.168 6.736 1.00 0.00 C ATOM 165 NE2 HIS A 11 1.686 -7.159 5.919 1.00 0.00 N ATOM 0 H HIS A 11 5.339 -3.161 2.730 1.00 0.00 H new ATOM 0 HA HIS A 11 4.348 -6.019 3.041 1.00 0.00 H new ATOM 0 HB2 HIS A 11 5.112 -4.615 5.065 1.00 0.00 H new ATOM 0 HB3 HIS A 11 3.683 -3.641 4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 11 1.381 -5.970 4.182 1.00 0.00 H new ATOM 0 HE1 HIS A 11 2.782 -7.806 7.604 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.840 -7.726 5.966 1.00 0.00 H new ATOM 173 N TYR A 12 2.332 -5.509 1.826 1.00 0.00 N ATOM 174 CA TYR A 12 1.090 -5.310 1.044 1.00 0.00 C ATOM 175 C TYR A 12 0.074 -6.465 1.044 1.00 0.00 C ATOM 176 O TYR A 12 0.342 -7.591 1.438 1.00 0.00 O ATOM 177 CB TYR A 12 1.538 -4.993 -0.410 1.00 0.00 C ATOM 178 CG TYR A 12 2.555 -6.027 -0.852 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.183 -7.322 -1.145 1.00 0.00 C ATOM 180 CD2 TYR A 12 3.871 -5.650 -0.946 1.00 0.00 C ATOM 181 CE1 TYR A 12 3.143 -8.226 -1.532 1.00 0.00 C ATOM 182 CE2 TYR A 12 4.817 -6.564 -1.333 1.00 0.00 C ATOM 183 CZ TYR A 12 4.453 -7.848 -1.625 1.00 0.00 C ATOM 184 OH TYR A 12 5.407 -8.755 -2.011 1.00 0.00 O ATOM 0 H TYR A 12 2.654 -6.475 1.880 1.00 0.00 H new ATOM 0 HA TYR A 12 0.538 -4.504 1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.678 -5.002 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.971 -3.994 -0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.148 -7.623 -1.071 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.161 -4.636 -0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 12 2.860 -9.242 -1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.853 -6.268 -1.407 1.00 0.00 H new ATOM 0 HH TYR A 12 6.285 -8.320 -2.026 1.00 0.00 H new ATOM 194 N TYR A 13 -1.077 -6.104 0.550 1.00 0.00 N ATOM 195 CA TYR A 13 -2.171 -7.120 0.463 1.00 0.00 C ATOM 196 C TYR A 13 -2.072 -7.719 -0.969 1.00 0.00 C ATOM 197 O TYR A 13 -1.354 -7.190 -1.812 1.00 0.00 O ATOM 198 CB TYR A 13 -3.536 -6.398 0.774 1.00 0.00 C ATOM 199 CG TYR A 13 -3.986 -6.873 2.180 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.100 -6.913 3.245 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.287 -7.283 2.393 1.00 0.00 C ATOM 202 CE1 TYR A 13 -3.500 -7.356 4.491 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.695 -7.730 3.644 1.00 0.00 C ATOM 204 CZ TYR A 13 -4.801 -7.771 4.701 1.00 0.00 C ATOM 205 OH TYR A 13 -5.178 -8.231 5.947 1.00 0.00 O ATOM 0 H TYR A 13 -1.309 -5.171 0.209 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.094 -7.935 1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.414 -5.315 0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.285 -6.649 0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.079 -6.592 3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.996 -7.256 1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.791 -7.378 5.306 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.716 -8.048 3.793 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.125 -8.483 5.930 1.00 0.00 H new ATOM 215 N ARG A 14 -2.802 -8.788 -1.178 1.00 0.00 N ATOM 216 CA ARG A 14 -2.836 -9.551 -2.481 1.00 0.00 C ATOM 217 C ARG A 14 -4.049 -9.395 -3.467 1.00 0.00 C ATOM 218 O ARG A 14 -4.878 -10.279 -3.558 1.00 0.00 O ATOM 219 CB ARG A 14 -2.670 -11.065 -2.101 1.00 0.00 C ATOM 220 CG ARG A 14 -1.592 -11.328 -0.984 1.00 0.00 C ATOM 221 CD ARG A 14 -0.181 -10.957 -1.475 1.00 0.00 C ATOM 222 NE ARG A 14 0.864 -11.254 -0.411 1.00 0.00 N ATOM 223 CZ ARG A 14 0.617 -11.316 0.844 1.00 0.00 C ATOM 224 NH1 ARG A 14 0.379 -10.236 1.478 1.00 0.00 N ATOM 225 NH2 ARG A 14 0.633 -12.464 1.388 1.00 0.00 N ATOM 0 H ARG A 14 -3.410 -9.187 -0.463 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.037 -9.104 -3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.631 -11.452 -1.763 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.397 -11.626 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.836 -10.746 -0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.614 -12.378 -0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.050 -11.515 -2.382 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.149 -9.899 -1.735 1.00 0.00 H new ATOM 0 HE ARG A 14 1.824 -11.414 -0.717 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.387 -9.343 0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.180 -10.265 2.478 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.837 -13.291 0.827 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.442 -12.558 2.385 1.00 0.00 H new ATOM 239 N PRO A 15 -4.114 -8.299 -4.189 1.00 0.00 N ATOM 240 CA PRO A 15 -5.321 -7.911 -5.001 1.00 0.00 C ATOM 241 C PRO A 15 -5.830 -9.018 -5.985 1.00 0.00 C ATOM 242 O PRO A 15 -6.824 -9.702 -5.775 1.00 0.00 O ATOM 243 CB PRO A 15 -4.865 -6.621 -5.724 1.00 0.00 C ATOM 244 CG PRO A 15 -3.330 -6.645 -5.669 1.00 0.00 C ATOM 245 CD PRO A 15 -3.001 -7.313 -4.335 1.00 0.00 C ATOM 0 HA PRO A 15 -6.197 -7.762 -4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.221 -6.601 -6.754 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.262 -5.733 -5.232 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.912 -7.205 -6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.916 -5.638 -5.721 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.026 -7.800 -4.354 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.983 -6.596 -3.515 1.00 0.00 H new ATOM 253 N ALA A 16 -5.100 -9.177 -7.062 1.00 0.00 N ATOM 254 CA ALA A 16 -5.457 -10.189 -8.098 1.00 0.00 C ATOM 255 C ALA A 16 -5.689 -11.651 -7.601 1.00 0.00 C ATOM 256 O ALA A 16 -5.872 -12.538 -8.417 1.00 0.00 O ATOM 257 CB ALA A 16 -4.334 -10.062 -9.164 1.00 0.00 C ATOM 0 H ALA A 16 -4.259 -8.638 -7.268 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.449 -9.974 -8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.515 -10.773 -9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.329 -9.050 -9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.369 -10.274 -8.703 1.00 0.00 H new ATOM 263 N GLN A 17 -5.684 -11.890 -6.306 1.00 0.00 N ATOM 264 CA GLN A 17 -5.921 -13.278 -5.799 1.00 0.00 C ATOM 265 C GLN A 17 -7.331 -13.693 -6.279 1.00 0.00 C ATOM 266 O GLN A 17 -7.526 -14.812 -6.698 1.00 0.00 O ATOM 267 CB GLN A 17 -5.842 -13.306 -4.225 1.00 0.00 C ATOM 268 CG GLN A 17 -7.024 -12.514 -3.542 1.00 0.00 C ATOM 269 CD GLN A 17 -7.076 -12.661 -2.017 1.00 0.00 C ATOM 270 OE1 GLN A 17 -7.847 -12.022 -1.342 1.00 0.00 O ATOM 271 NE2 GLN A 17 -6.304 -13.472 -1.380 1.00 0.00 N ATOM 0 H GLN A 17 -5.527 -11.186 -5.585 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.165 -13.967 -6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.858 -14.341 -3.883 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.891 -12.879 -3.905 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.931 -11.457 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.969 -12.859 -3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.629 -14.041 -1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.367 -13.545 -0.365 1.00 0.00 H new ATOM 280 N ASN A 18 -8.268 -12.781 -6.195 1.00 0.00 N ATOM 281 CA ASN A 18 -9.662 -13.080 -6.638 1.00 0.00 C ATOM 282 C ASN A 18 -10.136 -12.040 -7.677 1.00 0.00 C ATOM 283 O ASN A 18 -11.141 -11.417 -7.435 1.00 0.00 O ATOM 284 CB ASN A 18 -10.512 -13.070 -5.345 1.00 0.00 C ATOM 285 CG ASN A 18 -11.897 -13.715 -5.544 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.103 -14.550 -6.395 1.00 0.00 O ATOM 287 ND2 ASN A 18 -12.892 -13.379 -4.791 1.00 0.00 N ATOM 0 H ASN A 18 -8.125 -11.837 -5.836 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.747 -14.043 -7.141 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.977 -13.602 -4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.639 -12.042 -5.006 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.804 -13.814 -4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.765 -12.679 -4.060 1.00 0.00 H new ATOM 294 N ASN A 19 -9.437 -11.850 -8.783 1.00 0.00 N ATOM 295 CA ASN A 19 -9.849 -10.842 -9.850 1.00 0.00 C ATOM 296 C ASN A 19 -10.615 -9.616 -9.278 1.00 0.00 C ATOM 297 O ASN A 19 -11.761 -9.374 -9.590 1.00 0.00 O ATOM 298 CB ASN A 19 -10.727 -11.591 -10.901 1.00 0.00 C ATOM 299 CG ASN A 19 -11.051 -10.735 -12.144 1.00 0.00 C ATOM 300 OD1 ASN A 19 -11.368 -11.233 -13.195 1.00 0.00 O ATOM 301 ND2 ASN A 19 -11.003 -9.444 -12.143 1.00 0.00 N ATOM 0 H ASN A 19 -8.580 -12.358 -9.001 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.945 -10.436 -10.304 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.210 -12.497 -11.217 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.659 -11.903 -10.430 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.225 -8.925 -12.992 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.743 -8.944 -11.293 1.00 0.00 H new ATOM 308 N TRP A 20 -9.924 -8.865 -8.472 1.00 0.00 N ATOM 309 CA TRP A 20 -10.486 -7.642 -7.801 1.00 0.00 C ATOM 310 C TRP A 20 -11.935 -7.887 -7.318 1.00 0.00 C ATOM 311 O TRP A 20 -12.786 -7.031 -7.480 1.00 0.00 O ATOM 312 CB TRP A 20 -10.535 -6.294 -8.754 1.00 0.00 C ATOM 313 CG TRP A 20 -9.226 -5.991 -9.501 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.782 -6.943 -10.301 1.00 0.00 C ATOM 315 CD2 TRP A 20 -8.361 -4.916 -9.548 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.680 -6.442 -10.814 1.00 0.00 N ATOM 317 CE2 TRP A 20 -7.341 -5.246 -10.426 1.00 0.00 C ATOM 318 CE3 TRP A 20 -8.225 -3.669 -8.949 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -6.275 -4.416 -10.685 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -7.139 -2.870 -9.241 1.00 0.00 C ATOM 321 CH2 TRP A 20 -6.158 -3.235 -10.106 1.00 0.00 C ATOM 0 H TRP A 20 -8.949 -9.050 -8.235 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.798 -7.462 -6.975 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -11.336 -6.410 -9.484 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -10.791 -5.435 -8.133 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.223 -7.911 -10.490 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -7.117 -6.965 -11.484 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -8.974 -3.324 -8.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.514 -4.739 -11.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -7.065 -1.907 -8.758 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -5.318 -2.587 -10.312 1.00 0.00 H new ATOM 332 N ASP A 21 -12.193 -9.034 -6.732 1.00 0.00 N ATOM 333 CA ASP A 21 -13.570 -9.321 -6.220 1.00 0.00 C ATOM 334 C ASP A 21 -13.494 -8.722 -4.805 1.00 0.00 C ATOM 335 O ASP A 21 -13.825 -9.317 -3.805 1.00 0.00 O ATOM 336 CB ASP A 21 -13.807 -10.870 -6.179 1.00 0.00 C ATOM 337 CG ASP A 21 -15.233 -11.248 -5.733 1.00 0.00 C ATOM 338 OD1 ASP A 21 -16.095 -10.390 -5.853 1.00 0.00 O ATOM 339 OD2 ASP A 21 -15.379 -12.384 -5.306 1.00 0.00 O ATOM 0 H ASP A 21 -11.512 -9.780 -6.587 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.384 -8.916 -6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.619 -11.287 -7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.087 -11.325 -5.499 1.00 0.00 H new ATOM 344 N LEU A 22 -13.040 -7.494 -4.780 1.00 0.00 N ATOM 345 CA LEU A 22 -12.877 -6.716 -3.542 1.00 0.00 C ATOM 346 C LEU A 22 -14.128 -6.847 -2.673 1.00 0.00 C ATOM 347 O LEU A 22 -14.061 -6.688 -1.472 1.00 0.00 O ATOM 348 CB LEU A 22 -12.570 -5.321 -4.047 1.00 0.00 C ATOM 349 CG LEU A 22 -11.220 -5.255 -4.902 1.00 0.00 C ATOM 350 CD1 LEU A 22 -11.231 -3.786 -5.324 1.00 0.00 C ATOM 351 CD2 LEU A 22 -10.040 -5.481 -3.866 1.00 0.00 C ATOM 0 H LEU A 22 -12.765 -6.985 -5.620 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.081 -7.052 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.400 -4.970 -4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.491 -4.641 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.123 -5.959 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.350 -3.575 -5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.130 -3.581 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.221 -3.153 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.085 -5.447 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.066 -4.698 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.157 -6.453 -3.387 1.00 0.00 H new ATOM 363 N GLY A 23 -15.230 -7.127 -3.331 1.00 0.00 N ATOM 364 CA GLY A 23 -16.556 -7.305 -2.651 1.00 0.00 C ATOM 365 C GLY A 23 -16.460 -8.355 -1.536 1.00 0.00 C ATOM 366 O GLY A 23 -17.176 -8.270 -0.559 1.00 0.00 O ATOM 0 H GLY A 23 -15.266 -7.243 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.886 -6.354 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.306 -7.610 -3.381 1.00 0.00 H new ATOM 370 N ALA A 24 -15.586 -9.314 -1.715 1.00 0.00 N ATOM 371 CA ALA A 24 -15.372 -10.403 -0.728 1.00 0.00 C ATOM 372 C ALA A 24 -15.125 -9.815 0.699 1.00 0.00 C ATOM 373 O ALA A 24 -14.084 -9.231 0.960 1.00 0.00 O ATOM 374 CB ALA A 24 -14.169 -11.232 -1.227 1.00 0.00 C ATOM 0 H ALA A 24 -14.991 -9.383 -2.541 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.253 -11.039 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.974 -12.047 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.393 -11.643 -2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.289 -10.593 -1.293 1.00 0.00 H new ATOM 380 N PRO A 25 -16.084 -9.983 1.594 1.00 0.00 N ATOM 381 CA PRO A 25 -16.036 -9.415 2.981 1.00 0.00 C ATOM 382 C PRO A 25 -14.593 -9.373 3.510 1.00 0.00 C ATOM 383 O PRO A 25 -14.079 -8.354 3.912 1.00 0.00 O ATOM 384 CB PRO A 25 -16.986 -10.334 3.769 1.00 0.00 C ATOM 385 CG PRO A 25 -18.078 -10.684 2.717 1.00 0.00 C ATOM 386 CD PRO A 25 -17.325 -10.777 1.358 1.00 0.00 C ATOM 0 HA PRO A 25 -16.353 -8.375 3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.476 -11.225 4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -17.408 -9.830 4.638 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.570 -11.626 2.959 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -18.853 -9.919 2.685 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -17.097 -11.810 1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.917 -10.364 0.542 1.00 0.00 H new ATOM 394 N ALA A 26 -14.014 -10.543 3.463 1.00 0.00 N ATOM 395 CA ALA A 26 -12.608 -10.832 3.901 1.00 0.00 C ATOM 396 C ALA A 26 -11.603 -9.671 3.771 1.00 0.00 C ATOM 397 O ALA A 26 -10.724 -9.481 4.592 1.00 0.00 O ATOM 398 CB ALA A 26 -12.143 -12.068 3.075 1.00 0.00 C ATOM 0 H ALA A 26 -14.495 -11.371 3.113 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.624 -11.013 4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.121 -12.327 3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.800 -12.912 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.182 -11.831 2.012 1.00 0.00 H new ATOM 404 N VAL A 27 -11.821 -8.955 2.708 1.00 0.00 N ATOM 405 CA VAL A 27 -10.980 -7.783 2.342 1.00 0.00 C ATOM 406 C VAL A 27 -11.678 -6.419 2.377 1.00 0.00 C ATOM 407 O VAL A 27 -11.301 -5.499 3.076 1.00 0.00 O ATOM 408 CB VAL A 27 -10.452 -7.969 0.925 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.238 -7.065 0.786 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.146 -9.448 0.545 1.00 0.00 C ATOM 0 H VAL A 27 -12.579 -9.142 2.051 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.202 -7.760 3.105 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.229 -7.690 0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.823 -7.164 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.534 -6.030 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.485 -7.352 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.775 -9.491 -0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.391 -9.849 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.057 -10.040 0.626 1.00 0.00 H new ATOM 420 N SER A 28 -12.690 -6.391 1.563 1.00 0.00 N ATOM 421 CA SER A 28 -13.565 -5.194 1.361 1.00 0.00 C ATOM 422 C SER A 28 -12.810 -3.855 1.533 1.00 0.00 C ATOM 423 O SER A 28 -12.834 -3.230 2.576 1.00 0.00 O ATOM 424 CB SER A 28 -14.773 -5.260 2.372 1.00 0.00 C ATOM 425 OG SER A 28 -14.255 -4.990 3.679 1.00 0.00 O ATOM 0 H SER A 28 -12.965 -7.193 0.996 1.00 0.00 H new ATOM 0 HA SER A 28 -13.921 -5.222 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.537 -4.531 2.104 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.245 -6.242 2.342 1.00 0.00 H new ATOM 0 HG SER A 28 -13.881 -4.084 3.702 1.00 0.00 H new ATOM 431 N ALA A 29 -12.155 -3.418 0.491 1.00 0.00 N ATOM 432 CA ALA A 29 -11.373 -2.128 0.565 1.00 0.00 C ATOM 433 C ALA A 29 -12.175 -0.858 0.238 1.00 0.00 C ATOM 434 O ALA A 29 -13.201 -0.922 -0.403 1.00 0.00 O ATOM 435 CB ALA A 29 -10.216 -2.293 -0.396 1.00 0.00 C ATOM 0 H ALA A 29 -12.122 -3.891 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.057 -1.970 1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.607 -1.389 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.607 -3.143 -0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.600 -2.466 -1.401 1.00 0.00 H new ATOM 441 N TYR A 30 -11.666 0.263 0.688 1.00 0.00 N ATOM 442 CA TYR A 30 -12.334 1.585 0.456 1.00 0.00 C ATOM 443 C TYR A 30 -13.238 1.762 -0.764 1.00 0.00 C ATOM 444 O TYR A 30 -14.430 1.932 -0.618 1.00 0.00 O ATOM 445 CB TYR A 30 -11.277 2.720 0.387 1.00 0.00 C ATOM 446 CG TYR A 30 -11.582 3.725 1.504 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.871 4.191 1.713 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.565 4.174 2.305 1.00 0.00 C ATOM 449 CE1 TYR A 30 -13.131 5.098 2.721 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.831 5.089 3.319 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.120 5.549 3.525 1.00 0.00 C ATOM 452 OH TYR A 30 -12.430 6.445 4.521 1.00 0.00 O ATOM 0 H TYR A 30 -10.796 0.319 1.218 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.003 1.629 1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.273 2.313 0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.309 3.211 -0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.676 3.842 1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.557 3.818 2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.139 5.454 2.876 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.028 5.442 3.948 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.617 6.679 5.015 1.00 0.00 H new ATOM 462 N CYS A 31 -12.688 1.709 -1.941 1.00 0.00 N ATOM 463 CA CYS A 31 -13.530 1.888 -3.173 1.00 0.00 C ATOM 464 C CYS A 31 -14.160 0.581 -3.700 1.00 0.00 C ATOM 465 O CYS A 31 -14.760 0.572 -4.751 1.00 0.00 O ATOM 466 CB CYS A 31 -12.616 2.525 -4.239 1.00 0.00 C ATOM 467 SG CYS A 31 -11.658 3.994 -3.793 1.00 0.00 S ATOM 0 H CYS A 31 -11.695 1.550 -2.113 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.383 2.521 -2.929 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.914 1.761 -4.572 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.238 2.783 -5.096 1.00 0.00 H new ATOM 472 N ALA A 32 -14.054 -0.507 -2.980 1.00 0.00 N ATOM 473 CA ALA A 32 -14.644 -1.809 -3.444 1.00 0.00 C ATOM 474 C ALA A 32 -16.067 -1.626 -3.999 1.00 0.00 C ATOM 475 O ALA A 32 -16.379 -2.027 -5.100 1.00 0.00 O ATOM 476 CB ALA A 32 -14.640 -2.769 -2.248 1.00 0.00 C ATOM 0 H ALA A 32 -13.579 -0.553 -2.079 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.048 -2.213 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -15.063 -3.727 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.617 -2.916 -1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.238 -2.347 -1.440 1.00 0.00 H new ATOM 482 N THR A 33 -16.875 -1.006 -3.186 1.00 0.00 N ATOM 483 CA THR A 33 -18.316 -0.708 -3.503 1.00 0.00 C ATOM 484 C THR A 33 -18.538 0.239 -4.685 1.00 0.00 C ATOM 485 O THR A 33 -19.600 0.238 -5.278 1.00 0.00 O ATOM 486 CB THR A 33 -18.970 -0.104 -2.255 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.882 -1.116 -1.266 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.462 0.127 -2.399 1.00 0.00 C ATOM 0 H THR A 33 -16.586 -0.674 -2.266 1.00 0.00 H new ATOM 0 HA THR A 33 -18.765 -1.657 -3.797 1.00 0.00 H new ATOM 0 HB THR A 33 -18.478 0.846 -2.045 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.284 -0.794 -0.432 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.854 0.556 -1.477 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.646 0.813 -3.225 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.960 -0.822 -2.598 1.00 0.00 H new ATOM 496 N TRP A 34 -17.530 1.016 -4.981 1.00 0.00 N ATOM 497 CA TRP A 34 -17.585 2.005 -6.110 1.00 0.00 C ATOM 498 C TRP A 34 -16.602 1.698 -7.266 1.00 0.00 C ATOM 499 O TRP A 34 -16.609 2.373 -8.283 1.00 0.00 O ATOM 500 CB TRP A 34 -17.340 3.389 -5.454 1.00 0.00 C ATOM 501 CG TRP A 34 -18.585 3.752 -4.616 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.873 3.826 -5.072 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.582 4.043 -3.305 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.549 4.157 -3.985 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.857 4.310 -2.868 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.515 4.094 -2.442 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -20.075 4.629 -1.548 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.726 4.414 -1.110 1.00 0.00 C ATOM 509 CH2 TRP A 34 -19.013 4.681 -0.665 1.00 0.00 C ATOM 0 H TRP A 34 -16.644 1.009 -4.476 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.553 1.964 -6.609 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.452 3.359 -4.822 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.162 4.146 -6.218 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.245 3.656 -6.072 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.560 4.289 -4.007 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.517 3.886 -2.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -21.076 4.839 -1.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.894 4.455 -0.423 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -19.185 4.930 0.372 1.00 0.00 H new ATOM 520 N ASP A 35 -15.772 0.701 -7.079 1.00 0.00 N ATOM 521 CA ASP A 35 -14.760 0.248 -8.097 1.00 0.00 C ATOM 522 C ASP A 35 -15.016 -1.189 -8.541 1.00 0.00 C ATOM 523 O ASP A 35 -14.874 -1.466 -9.712 1.00 0.00 O ATOM 524 CB ASP A 35 -13.292 0.354 -7.532 1.00 0.00 C ATOM 525 CG ASP A 35 -12.675 1.716 -7.823 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.396 2.579 -8.284 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.494 1.814 -7.562 1.00 0.00 O ATOM 0 H ASP A 35 -15.752 0.153 -6.219 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.865 0.911 -8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.303 0.181 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.674 -0.428 -7.974 1.00 0.00 H new ATOM 532 N ALA A 36 -15.379 -2.101 -7.666 1.00 0.00 N ATOM 533 CA ALA A 36 -15.632 -3.510 -8.117 1.00 0.00 C ATOM 534 C ALA A 36 -16.714 -3.479 -9.235 1.00 0.00 C ATOM 535 O ALA A 36 -16.901 -4.401 -9.996 1.00 0.00 O ATOM 536 CB ALA A 36 -16.083 -4.330 -6.881 1.00 0.00 C ATOM 0 H ALA A 36 -15.510 -1.933 -6.669 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.739 -3.979 -8.531 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.275 -5.361 -7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.298 -4.310 -6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.994 -3.896 -6.469 1.00 0.00 H new ATOM 542 N SER A 37 -17.396 -2.371 -9.288 1.00 0.00 N ATOM 543 CA SER A 37 -18.493 -2.086 -10.271 1.00 0.00 C ATOM 544 C SER A 37 -18.010 -1.434 -11.590 1.00 0.00 C ATOM 545 O SER A 37 -18.785 -1.278 -12.509 1.00 0.00 O ATOM 546 CB SER A 37 -19.494 -1.178 -9.558 1.00 0.00 C ATOM 547 OG SER A 37 -18.712 -0.070 -9.099 1.00 0.00 O ATOM 0 H SER A 37 -17.228 -1.596 -8.646 1.00 0.00 H new ATOM 0 HA SER A 37 -18.938 -3.032 -10.581 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.285 -0.852 -10.233 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.976 -1.694 -8.728 1.00 0.00 H new ATOM 0 HG SER A 37 -19.290 0.565 -8.627 1.00 0.00 H new ATOM 553 N LYS A 38 -16.764 -1.052 -11.673 1.00 0.00 N ATOM 554 CA LYS A 38 -16.201 -0.415 -12.912 1.00 0.00 C ATOM 555 C LYS A 38 -15.660 -1.539 -13.827 1.00 0.00 C ATOM 556 O LYS A 38 -14.918 -2.396 -13.368 1.00 0.00 O ATOM 557 CB LYS A 38 -15.027 0.526 -12.551 1.00 0.00 C ATOM 558 CG LYS A 38 -15.518 1.773 -11.785 1.00 0.00 C ATOM 559 CD LYS A 38 -14.248 2.609 -11.488 1.00 0.00 C ATOM 560 CE LYS A 38 -14.573 4.002 -10.907 1.00 0.00 C ATOM 561 NZ LYS A 38 -15.044 3.934 -9.488 1.00 0.00 N ATOM 0 H LYS A 38 -16.090 -1.156 -10.915 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.982 0.162 -13.408 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.300 -0.013 -11.943 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.514 0.835 -13.461 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.231 2.343 -12.381 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.026 1.491 -10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.616 2.065 -10.785 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.674 2.728 -12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.685 4.632 -10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.340 4.478 -11.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.313 4.885 -9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.867 3.301 -9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.279 3.568 -8.886 1.00 0.00 H new ATOM 575 N PRO A 39 -16.004 -1.552 -15.101 1.00 0.00 N ATOM 576 CA PRO A 39 -15.493 -2.614 -16.027 1.00 0.00 C ATOM 577 C PRO A 39 -13.964 -2.826 -15.865 1.00 0.00 C ATOM 578 O PRO A 39 -13.250 -1.936 -15.440 1.00 0.00 O ATOM 579 CB PRO A 39 -15.956 -2.115 -17.430 1.00 0.00 C ATOM 580 CG PRO A 39 -16.252 -0.599 -17.216 1.00 0.00 C ATOM 581 CD PRO A 39 -16.871 -0.566 -15.807 1.00 0.00 C ATOM 0 HA PRO A 39 -15.882 -3.613 -15.828 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -15.182 -2.268 -18.183 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.842 -2.650 -17.771 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.344 0.002 -17.273 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -16.939 -0.211 -17.968 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.822 0.425 -15.357 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.920 -0.864 -15.809 1.00 0.00 H new ATOM 589 N LEU A 40 -13.461 -3.987 -16.203 1.00 0.00 N ATOM 590 CA LEU A 40 -11.993 -4.226 -16.047 1.00 0.00 C ATOM 591 C LEU A 40 -11.080 -3.201 -16.700 1.00 0.00 C ATOM 592 O LEU A 40 -9.933 -3.101 -16.308 1.00 0.00 O ATOM 593 CB LEU A 40 -11.653 -5.613 -16.601 1.00 0.00 C ATOM 594 CG LEU A 40 -11.252 -6.504 -15.419 1.00 0.00 C ATOM 595 CD1 LEU A 40 -12.524 -7.158 -14.884 1.00 0.00 C ATOM 596 CD2 LEU A 40 -10.264 -7.546 -15.914 1.00 0.00 C ATOM 0 H LEU A 40 -13.996 -4.771 -16.576 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.803 -4.141 -14.977 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.510 -6.036 -17.125 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.839 -5.547 -17.323 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.777 -5.934 -14.621 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.275 -7.801 -14.040 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.221 -6.386 -14.559 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.985 -7.755 -15.671 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.968 -8.189 -15.085 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.731 -8.149 -16.693 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.383 -7.048 -16.320 1.00 0.00 H new ATOM 608 N SER A 41 -11.639 -2.515 -17.659 1.00 0.00 N ATOM 609 CA SER A 41 -10.931 -1.461 -18.432 1.00 0.00 C ATOM 610 C SER A 41 -9.968 -0.642 -17.565 1.00 0.00 C ATOM 611 O SER A 41 -8.776 -0.866 -17.554 1.00 0.00 O ATOM 612 CB SER A 41 -12.053 -0.601 -19.081 1.00 0.00 C ATOM 613 OG SER A 41 -11.445 0.612 -19.498 1.00 0.00 O ATOM 0 H SER A 41 -12.607 -2.653 -17.949 1.00 0.00 H new ATOM 0 HA SER A 41 -10.282 -1.892 -19.194 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.499 -1.122 -19.928 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.854 -0.408 -18.368 1.00 0.00 H new ATOM 0 HG SER A 41 -12.118 1.188 -19.917 1.00 0.00 H new ATOM 619 N TRP A 42 -10.508 0.280 -16.821 1.00 0.00 N ATOM 620 CA TRP A 42 -9.625 1.133 -15.954 1.00 0.00 C ATOM 621 C TRP A 42 -8.969 0.297 -14.832 1.00 0.00 C ATOM 622 O TRP A 42 -7.757 0.304 -14.662 1.00 0.00 O ATOM 623 CB TRP A 42 -10.498 2.270 -15.374 1.00 0.00 C ATOM 624 CG TRP A 42 -9.604 3.427 -14.857 1.00 0.00 C ATOM 625 CD1 TRP A 42 -9.063 4.403 -15.647 1.00 0.00 C ATOM 626 CD2 TRP A 42 -9.229 3.653 -13.583 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.390 5.157 -14.789 1.00 0.00 N ATOM 628 CE2 TRP A 42 -8.435 4.782 -13.517 1.00 0.00 C ATOM 629 CE3 TRP A 42 -9.531 2.943 -12.435 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -7.950 5.190 -12.289 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -9.048 3.350 -11.213 1.00 0.00 C ATOM 632 CH2 TRP A 42 -8.256 4.476 -11.139 1.00 0.00 C ATOM 0 H TRP A 42 -11.506 0.485 -16.769 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.809 1.552 -16.542 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.178 2.642 -16.140 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.113 1.886 -14.560 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -9.161 4.530 -16.715 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.867 5.979 -15.090 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.151 2.061 -12.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.328 6.071 -12.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -9.287 2.792 -10.320 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.873 4.803 -10.184 1.00 0.00 H new ATOM 643 N ARG A 43 -9.820 -0.399 -14.114 1.00 0.00 N ATOM 644 CA ARG A 43 -9.380 -1.278 -12.972 1.00 0.00 C ATOM 645 C ARG A 43 -8.021 -1.938 -13.186 1.00 0.00 C ATOM 646 O ARG A 43 -7.164 -1.851 -12.329 1.00 0.00 O ATOM 647 CB ARG A 43 -10.456 -2.382 -12.715 1.00 0.00 C ATOM 648 CG ARG A 43 -11.759 -1.687 -12.344 1.00 0.00 C ATOM 649 CD ARG A 43 -12.659 -2.500 -11.404 1.00 0.00 C ATOM 650 NE ARG A 43 -13.082 -3.813 -12.015 1.00 0.00 N ATOM 651 CZ ARG A 43 -13.121 -4.918 -11.350 1.00 0.00 C ATOM 652 NH1 ARG A 43 -13.294 -4.856 -10.096 1.00 0.00 N ATOM 653 NH2 ARG A 43 -12.998 -6.035 -11.938 1.00 0.00 N ATOM 0 H ARG A 43 -10.827 -0.397 -14.273 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.274 -0.623 -12.107 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.591 -2.997 -13.604 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.136 -3.047 -11.913 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.527 -0.733 -11.872 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.312 -1.465 -13.257 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.129 -2.689 -10.470 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.544 -1.915 -11.155 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.349 -3.828 -12.999 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.398 -3.950 -9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.329 -5.712 -9.543 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.866 -6.067 -12.949 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.031 -6.901 -11.400 1.00 0.00 H new ATOM 667 N SER A 44 -7.866 -2.583 -14.313 1.00 0.00 N ATOM 668 CA SER A 44 -6.563 -3.248 -14.598 1.00 0.00 C ATOM 669 C SER A 44 -5.715 -2.418 -15.615 1.00 0.00 C ATOM 670 O SER A 44 -4.585 -2.775 -15.877 1.00 0.00 O ATOM 671 CB SER A 44 -6.858 -4.654 -15.156 1.00 0.00 C ATOM 672 OG SER A 44 -7.493 -4.447 -16.415 1.00 0.00 O ATOM 0 H SER A 44 -8.576 -2.677 -15.039 1.00 0.00 H new ATOM 0 HA SER A 44 -5.979 -3.321 -13.681 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.940 -5.230 -15.271 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.503 -5.215 -14.480 1.00 0.00 H new ATOM 0 HG SER A 44 -8.399 -4.103 -16.272 1.00 0.00 H new ATOM 678 N LYS A 45 -6.259 -1.350 -16.179 1.00 0.00 N ATOM 679 CA LYS A 45 -5.488 -0.482 -17.165 1.00 0.00 C ATOM 680 C LYS A 45 -4.177 -0.027 -16.494 1.00 0.00 C ATOM 681 O LYS A 45 -3.115 -0.126 -17.070 1.00 0.00 O ATOM 682 CB LYS A 45 -6.355 0.779 -17.577 1.00 0.00 C ATOM 683 CG LYS A 45 -5.471 1.830 -18.324 1.00 0.00 C ATOM 684 CD LYS A 45 -6.352 2.974 -19.012 1.00 0.00 C ATOM 685 CE LYS A 45 -5.516 4.289 -19.240 1.00 0.00 C ATOM 686 NZ LYS A 45 -6.245 5.272 -20.124 1.00 0.00 N ATOM 0 H LYS A 45 -7.213 -1.036 -15.999 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.266 -1.053 -18.067 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.180 0.467 -18.218 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.795 1.231 -16.688 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.774 2.284 -17.619 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.873 1.326 -19.084 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.734 2.615 -19.967 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.216 3.195 -18.386 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.302 4.755 -18.278 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.557 4.036 -19.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.565 5.744 -20.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.952 4.767 -20.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.721 5.983 -19.533 1.00 0.00 H new ATOM 700 N TYR A 46 -4.318 0.466 -15.293 1.00 0.00 N ATOM 701 CA TYR A 46 -3.100 0.941 -14.533 1.00 0.00 C ATOM 702 C TYR A 46 -2.676 -0.214 -13.602 1.00 0.00 C ATOM 703 O TYR A 46 -3.194 -1.307 -13.713 1.00 0.00 O ATOM 704 CB TYR A 46 -3.480 2.224 -13.711 1.00 0.00 C ATOM 705 CG TYR A 46 -2.820 3.502 -14.258 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.444 3.677 -14.216 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.600 4.525 -14.784 1.00 0.00 C ATOM 708 CE1 TYR A 46 -0.866 4.843 -14.681 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.006 5.698 -15.248 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.634 5.864 -15.193 1.00 0.00 C ATOM 711 OH TYR A 46 -1.014 7.025 -15.599 1.00 0.00 O ATOM 0 H TYR A 46 -5.206 0.564 -14.801 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.277 1.203 -15.198 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.563 2.348 -13.720 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.184 2.084 -12.671 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.818 2.893 -13.816 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.673 4.411 -14.834 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.207 4.955 -14.642 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.624 6.485 -15.655 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.638 7.776 -15.516 1.00 0.00 H new ATOM 721 N GLY A 47 -1.726 0.023 -12.723 1.00 0.00 N ATOM 722 CA GLY A 47 -1.321 -1.103 -11.802 1.00 0.00 C ATOM 723 C GLY A 47 -2.447 -1.324 -10.770 1.00 0.00 C ATOM 724 O GLY A 47 -3.605 -1.371 -11.117 1.00 0.00 O ATOM 0 H GLY A 47 -1.230 0.906 -12.602 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.147 -2.015 -12.373 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.386 -0.860 -11.296 1.00 0.00 H new ATOM 728 N TRP A 48 -2.128 -1.446 -9.522 1.00 0.00 N ATOM 729 CA TRP A 48 -3.160 -1.661 -8.482 1.00 0.00 C ATOM 730 C TRP A 48 -2.506 -1.453 -7.162 1.00 0.00 C ATOM 731 O TRP A 48 -1.705 -2.265 -6.742 1.00 0.00 O ATOM 732 CB TRP A 48 -3.758 -3.088 -8.327 1.00 0.00 C ATOM 733 CG TRP A 48 -5.042 -2.980 -7.458 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.456 -1.879 -6.767 1.00 0.00 C ATOM 735 CD2 TRP A 48 -5.938 -3.953 -7.244 1.00 0.00 C ATOM 736 NE1 TRP A 48 -6.579 -2.267 -6.175 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.926 -3.498 -6.413 1.00 0.00 C ATOM 738 CE3 TRP A 48 -6.009 -5.225 -7.723 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.951 -4.274 -6.026 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -7.068 -6.043 -7.348 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.034 -5.562 -6.491 1.00 0.00 C ATOM 0 H TRP A 48 -1.172 -1.405 -9.169 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.961 -0.987 -8.785 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.994 -3.510 -9.304 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.035 -3.755 -7.857 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.979 -0.912 -6.714 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.128 -1.647 -5.579 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.246 -5.597 -8.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.704 -3.888 -5.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -7.134 -7.052 -7.727 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -8.853 -6.197 -6.187 1.00 0.00 H new ATOM 752 N THR A 49 -2.835 -0.337 -6.602 1.00 0.00 N ATOM 753 CA THR A 49 -2.283 -0.044 -5.270 1.00 0.00 C ATOM 754 C THR A 49 -3.359 0.413 -4.232 1.00 0.00 C ATOM 755 O THR A 49 -4.157 1.346 -4.329 1.00 0.00 O ATOM 756 CB THR A 49 -1.107 1.024 -5.422 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.576 1.309 -4.141 1.00 0.00 O ATOM 758 CG2 THR A 49 -1.495 2.423 -5.788 1.00 0.00 C ATOM 0 H THR A 49 -3.450 0.373 -7.000 1.00 0.00 H new ATOM 0 HA THR A 49 -1.885 -0.972 -4.860 1.00 0.00 H new ATOM 0 HB THR A 49 -0.482 0.555 -6.182 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.245 1.835 -4.237 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.601 3.042 -5.858 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.009 2.418 -6.749 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.158 2.828 -5.024 1.00 0.00 H new ATOM 766 N ALA A 50 -3.412 -0.416 -3.223 1.00 0.00 N ATOM 767 CA ALA A 50 -4.360 -0.084 -2.072 1.00 0.00 C ATOM 768 C ALA A 50 -3.331 0.720 -1.235 1.00 0.00 C ATOM 769 O ALA A 50 -2.169 0.623 -1.583 1.00 0.00 O ATOM 770 CB ALA A 50 -4.755 -1.247 -1.113 1.00 0.00 C ATOM 0 H ALA A 50 -2.873 -1.277 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.302 0.323 -2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.430 -0.871 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.253 -2.033 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.859 -1.651 -0.642 1.00 0.00 H new ATOM 776 N PHE A 51 -3.684 1.470 -0.209 1.00 0.00 N ATOM 777 CA PHE A 51 -2.579 2.197 0.545 1.00 0.00 C ATOM 778 C PHE A 51 -2.564 2.066 2.104 1.00 0.00 C ATOM 779 O PHE A 51 -3.591 1.988 2.759 1.00 0.00 O ATOM 780 CB PHE A 51 -2.645 3.710 0.184 1.00 0.00 C ATOM 781 CG PHE A 51 -3.826 4.387 0.905 1.00 0.00 C ATOM 782 CD1 PHE A 51 -3.681 4.897 2.188 1.00 0.00 C ATOM 783 CD2 PHE A 51 -5.053 4.482 0.292 1.00 0.00 C ATOM 784 CE1 PHE A 51 -4.754 5.488 2.835 1.00 0.00 C ATOM 785 CE2 PHE A 51 -6.123 5.067 0.931 1.00 0.00 C ATOM 786 CZ PHE A 51 -5.975 5.568 2.201 1.00 0.00 C ATOM 0 H PHE A 51 -4.635 1.612 0.132 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.664 1.702 0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.712 4.198 0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.754 3.828 -0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.725 4.833 2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.180 4.091 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.634 5.885 3.832 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.079 5.132 0.433 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.815 6.025 2.703 1.00 0.00 H new ATOM 796 N CYS A 52 -1.335 2.024 2.581 1.00 0.00 N ATOM 797 CA CYS A 52 -0.970 1.917 4.044 1.00 0.00 C ATOM 798 C CYS A 52 0.485 2.374 4.347 1.00 0.00 C ATOM 799 O CYS A 52 1.230 1.644 4.974 1.00 0.00 O ATOM 800 CB CYS A 52 -1.178 0.451 4.515 1.00 0.00 C ATOM 801 SG CYS A 52 -2.923 0.006 4.457 1.00 0.00 S ATOM 0 H CYS A 52 -0.517 2.062 1.973 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.625 2.593 4.593 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.604 -0.225 3.881 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.801 0.333 5.531 1.00 0.00 H new ATOM 806 N GLY A 53 0.902 3.542 3.919 1.00 0.00 N ATOM 807 CA GLY A 53 2.320 4.001 4.202 1.00 0.00 C ATOM 808 C GLY A 53 2.363 5.257 5.080 1.00 0.00 C ATOM 809 O GLY A 53 1.354 5.914 5.213 1.00 0.00 O ATOM 0 H GLY A 53 0.333 4.201 3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.868 3.198 4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.829 4.202 3.259 1.00 0.00 H new ATOM 813 N PRO A 54 3.497 5.591 5.663 1.00 0.00 N ATOM 814 CA PRO A 54 3.582 6.739 6.628 1.00 0.00 C ATOM 815 C PRO A 54 3.358 8.154 6.019 1.00 0.00 C ATOM 816 O PRO A 54 2.358 8.800 6.281 1.00 0.00 O ATOM 817 CB PRO A 54 4.975 6.533 7.261 1.00 0.00 C ATOM 818 CG PRO A 54 5.797 5.909 6.095 1.00 0.00 C ATOM 819 CD PRO A 54 4.811 4.906 5.456 1.00 0.00 C ATOM 0 HA PRO A 54 2.767 6.726 7.352 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.407 7.474 7.602 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.932 5.870 8.125 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.119 6.666 5.380 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.696 5.412 6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.024 4.741 4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.845 3.932 5.944 1.00 0.00 H new ATOM 827 N ALA A 55 4.259 8.631 5.195 1.00 0.00 N ATOM 828 CA ALA A 55 4.082 10.000 4.592 1.00 0.00 C ATOM 829 C ALA A 55 3.196 9.931 3.316 1.00 0.00 C ATOM 830 O ALA A 55 3.554 10.327 2.213 1.00 0.00 O ATOM 831 CB ALA A 55 5.520 10.547 4.309 1.00 0.00 C ATOM 0 H ALA A 55 5.106 8.139 4.912 1.00 0.00 H new ATOM 0 HA ALA A 55 3.558 10.677 5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.451 11.542 3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.079 10.601 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.034 9.879 3.617 1.00 0.00 H new ATOM 837 N GLY A 56 2.021 9.400 3.570 1.00 0.00 N ATOM 838 CA GLY A 56 0.965 9.213 2.514 1.00 0.00 C ATOM 839 C GLY A 56 -0.477 9.558 2.931 1.00 0.00 C ATOM 840 O GLY A 56 -1.341 8.713 2.775 1.00 0.00 O ATOM 0 H GLY A 56 1.740 9.077 4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.229 9.826 1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.988 8.174 2.185 1.00 0.00 H new ATOM 844 N PRO A 57 -0.734 10.752 3.429 1.00 0.00 N ATOM 845 CA PRO A 57 -2.121 11.106 3.841 1.00 0.00 C ATOM 846 C PRO A 57 -3.012 11.531 2.644 1.00 0.00 C ATOM 847 O PRO A 57 -2.951 12.636 2.132 1.00 0.00 O ATOM 848 CB PRO A 57 -1.869 12.200 4.892 1.00 0.00 C ATOM 849 CG PRO A 57 -0.686 12.979 4.266 1.00 0.00 C ATOM 850 CD PRO A 57 0.234 11.863 3.677 1.00 0.00 C ATOM 0 HA PRO A 57 -2.699 10.276 4.246 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.743 12.834 5.039 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.612 11.780 5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.026 13.666 3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.162 13.575 5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.728 12.185 2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.018 11.571 4.376 1.00 0.00 H new ATOM 858 N ARG A 58 -3.813 10.597 2.198 1.00 0.00 N ATOM 859 CA ARG A 58 -4.756 10.839 1.052 1.00 0.00 C ATOM 860 C ARG A 58 -6.169 10.260 1.223 1.00 0.00 C ATOM 861 O ARG A 58 -7.172 10.750 0.744 1.00 0.00 O ATOM 862 CB ARG A 58 -3.991 10.309 -0.147 1.00 0.00 C ATOM 863 CG ARG A 58 -4.380 11.082 -1.456 1.00 0.00 C ATOM 864 CD ARG A 58 -3.826 12.516 -1.459 1.00 0.00 C ATOM 865 NE ARG A 58 -2.333 12.404 -1.404 1.00 0.00 N ATOM 866 CZ ARG A 58 -1.600 13.406 -1.120 1.00 0.00 C ATOM 867 NH1 ARG A 58 -1.659 13.921 0.040 1.00 0.00 N ATOM 868 NH2 ARG A 58 -0.830 13.848 -2.027 1.00 0.00 N ATOM 0 H ARG A 58 -3.857 9.655 2.586 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.008 11.895 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.920 10.405 0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.199 9.247 -0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.998 10.543 -2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.465 11.112 -1.552 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.141 13.050 -2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.203 13.078 -0.604 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.893 11.504 -1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.292 13.532 0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.074 14.724 0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.814 13.402 -2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.227 14.649 -1.839 1.00 0.00 H new ATOM 882 N GLY A 59 -6.146 9.205 1.960 1.00 0.00 N ATOM 883 CA GLY A 59 -7.347 8.352 2.345 1.00 0.00 C ATOM 884 C GLY A 59 -8.854 8.504 1.987 1.00 0.00 C ATOM 885 O GLY A 59 -9.560 7.524 1.863 1.00 0.00 O ATOM 0 H GLY A 59 -5.276 8.849 2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.088 7.350 2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.328 8.334 3.435 1.00 0.00 H new ATOM 889 N GLN A 60 -9.305 9.727 1.869 1.00 0.00 N ATOM 890 CA GLN A 60 -10.726 10.050 1.521 1.00 0.00 C ATOM 891 C GLN A 60 -10.947 10.161 -0.009 1.00 0.00 C ATOM 892 O GLN A 60 -11.332 9.239 -0.698 1.00 0.00 O ATOM 893 CB GLN A 60 -11.072 11.366 2.254 1.00 0.00 C ATOM 894 CG GLN A 60 -10.878 11.176 3.797 1.00 0.00 C ATOM 895 CD GLN A 60 -10.155 12.376 4.410 1.00 0.00 C ATOM 896 OE1 GLN A 60 -9.542 12.296 5.449 1.00 0.00 O ATOM 897 NE2 GLN A 60 -10.182 13.524 3.819 1.00 0.00 N ATOM 0 H GLN A 60 -8.720 10.552 2.006 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.388 9.245 1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.434 12.173 1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.101 11.654 2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.849 11.048 4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.307 10.267 3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.688 13.633 2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.697 14.321 4.231 1.00 0.00 H new ATOM 906 N ALA A 61 -10.661 11.343 -0.509 1.00 0.00 N ATOM 907 CA ALA A 61 -10.809 11.678 -1.960 1.00 0.00 C ATOM 908 C ALA A 61 -9.517 11.381 -2.742 1.00 0.00 C ATOM 909 O ALA A 61 -9.038 12.166 -3.544 1.00 0.00 O ATOM 910 CB ALA A 61 -11.193 13.170 -2.021 1.00 0.00 C ATOM 0 H ALA A 61 -10.317 12.119 0.057 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.577 11.064 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.315 13.472 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.129 13.327 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.407 13.767 -1.560 1.00 0.00 H new ATOM 916 N ALA A 62 -9.007 10.210 -2.469 1.00 0.00 N ATOM 917 CA ALA A 62 -7.751 9.732 -3.126 1.00 0.00 C ATOM 918 C ALA A 62 -8.111 8.718 -4.240 1.00 0.00 C ATOM 919 O ALA A 62 -7.299 8.455 -5.103 1.00 0.00 O ATOM 920 CB ALA A 62 -6.864 9.098 -2.014 1.00 0.00 C ATOM 0 H ALA A 62 -9.414 9.551 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.201 10.544 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.934 8.735 -2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.639 9.848 -1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.397 8.266 -1.554 1.00 0.00 H new ATOM 926 N CYS A 63 -9.320 8.220 -4.158 1.00 0.00 N ATOM 927 CA CYS A 63 -9.932 7.219 -5.106 1.00 0.00 C ATOM 928 C CYS A 63 -10.030 7.840 -6.529 1.00 0.00 C ATOM 929 O CYS A 63 -11.083 8.108 -7.080 1.00 0.00 O ATOM 930 CB CYS A 63 -11.303 6.878 -4.500 1.00 0.00 C ATOM 931 SG CYS A 63 -12.176 5.424 -5.122 1.00 0.00 S ATOM 0 H CYS A 63 -9.961 8.488 -3.411 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.339 6.312 -5.223 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.169 6.751 -3.426 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.953 7.742 -4.641 1.00 0.00 H new ATOM 936 N GLY A 64 -8.858 8.008 -7.068 1.00 0.00 N ATOM 937 CA GLY A 64 -8.669 8.611 -8.429 1.00 0.00 C ATOM 938 C GLY A 64 -7.251 9.142 -8.634 1.00 0.00 C ATOM 939 O GLY A 64 -6.952 9.652 -9.687 1.00 0.00 O ATOM 0 H GLY A 64 -7.986 7.744 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.888 7.862 -9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.383 9.423 -8.567 1.00 0.00 H new ATOM 943 N LYS A 65 -6.410 9.032 -7.645 1.00 0.00 N ATOM 944 CA LYS A 65 -5.005 9.511 -7.779 1.00 0.00 C ATOM 945 C LYS A 65 -4.156 8.237 -7.911 1.00 0.00 C ATOM 946 O LYS A 65 -4.550 7.130 -7.583 1.00 0.00 O ATOM 947 CB LYS A 65 -4.600 10.329 -6.514 1.00 0.00 C ATOM 948 CG LYS A 65 -5.165 11.760 -6.647 1.00 0.00 C ATOM 949 CD LYS A 65 -4.911 12.528 -5.319 1.00 0.00 C ATOM 950 CE LYS A 65 -5.455 13.964 -5.408 1.00 0.00 C ATOM 951 NZ LYS A 65 -6.922 13.908 -5.700 1.00 0.00 N ATOM 0 H LYS A 65 -6.638 8.626 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.868 10.170 -8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.989 9.851 -5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.515 10.359 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.688 12.278 -7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.233 11.725 -6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.390 12.003 -4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.842 12.551 -5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.277 14.494 -4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.935 14.516 -6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.361 14.817 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.068 13.721 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.358 13.147 -5.141 1.00 0.00 H new ATOM 965 N CYS A 66 -2.972 8.431 -8.396 1.00 0.00 N ATOM 966 CA CYS A 66 -2.027 7.305 -8.597 1.00 0.00 C ATOM 967 C CYS A 66 -0.722 7.525 -7.817 1.00 0.00 C ATOM 968 O CYS A 66 -0.423 8.583 -7.301 1.00 0.00 O ATOM 969 CB CYS A 66 -1.848 7.212 -10.139 1.00 0.00 C ATOM 970 SG CYS A 66 -3.184 6.349 -11.012 1.00 0.00 S ATOM 0 H CYS A 66 -2.608 9.344 -8.669 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.396 6.357 -8.205 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.763 8.221 -10.542 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.907 6.704 -10.351 1.00 0.00 H new ATOM 975 N LEU A 67 0.056 6.495 -7.735 1.00 0.00 N ATOM 976 CA LEU A 67 1.356 6.596 -6.996 1.00 0.00 C ATOM 977 C LEU A 67 2.467 6.252 -8.003 1.00 0.00 C ATOM 978 O LEU A 67 2.342 5.271 -8.714 1.00 0.00 O ATOM 979 CB LEU A 67 1.263 5.594 -5.803 1.00 0.00 C ATOM 980 CG LEU A 67 1.824 6.215 -4.492 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.609 5.197 -3.359 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.335 6.497 -4.606 1.00 0.00 C ATOM 0 H LEU A 67 -0.142 5.582 -8.144 1.00 0.00 H new ATOM 0 HA LEU A 67 1.573 7.584 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.224 5.301 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.818 4.687 -6.044 1.00 0.00 H new ATOM 0 HG LEU A 67 1.310 7.156 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.994 5.606 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.544 4.990 -3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.137 4.273 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.696 6.931 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.865 5.565 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.514 7.195 -5.424 1.00 0.00 H new ATOM 994 N ARG A 68 3.502 7.049 -8.058 1.00 0.00 N ATOM 995 CA ARG A 68 4.606 6.745 -9.020 1.00 0.00 C ATOM 996 C ARG A 68 5.752 6.254 -8.143 1.00 0.00 C ATOM 997 O ARG A 68 6.119 6.890 -7.162 1.00 0.00 O ATOM 998 CB ARG A 68 5.035 8.033 -9.804 1.00 0.00 C ATOM 999 CG ARG A 68 6.277 7.721 -10.722 1.00 0.00 C ATOM 1000 CD ARG A 68 6.659 8.970 -11.550 1.00 0.00 C ATOM 1001 NE ARG A 68 7.835 8.614 -12.430 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.830 9.380 -12.634 1.00 0.00 C ATOM 1003 NH1 ARG A 68 8.599 10.457 -13.272 1.00 0.00 N ATOM 1004 NH2 ARG A 68 9.985 9.031 -12.211 1.00 0.00 N ATOM 0 H ARG A 68 3.632 7.885 -7.489 1.00 0.00 H new ATOM 0 HA ARG A 68 4.306 6.012 -9.769 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.204 8.391 -10.412 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.283 8.829 -9.102 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.123 7.410 -10.108 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.045 6.891 -11.389 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.815 9.296 -12.158 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.915 9.799 -10.890 1.00 0.00 H new ATOM 0 HE ARG A 68 7.831 7.703 -12.889 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.653 10.668 -13.591 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.359 11.109 -13.464 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.101 8.147 -11.716 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.790 9.637 -12.369 1.00 0.00 H new ATOM 1018 N VAL A 69 6.256 5.123 -8.548 1.00 0.00 N ATOM 1019 CA VAL A 69 7.378 4.500 -7.813 1.00 0.00 C ATOM 1020 C VAL A 69 8.473 4.221 -8.831 1.00 0.00 C ATOM 1021 O VAL A 69 8.256 3.705 -9.913 1.00 0.00 O ATOM 1022 CB VAL A 69 6.880 3.196 -7.143 1.00 0.00 C ATOM 1023 CG1 VAL A 69 8.014 2.612 -6.269 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.684 3.552 -6.238 1.00 0.00 C ATOM 0 H VAL A 69 5.933 4.603 -9.364 1.00 0.00 H new ATOM 0 HA VAL A 69 7.764 5.148 -7.026 1.00 0.00 H new ATOM 0 HB VAL A 69 6.587 2.466 -7.898 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.671 1.693 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.880 2.395 -6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.292 3.335 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.313 2.649 -5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.002 4.267 -5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.890 3.992 -6.841 1.00 0.00 H new ATOM 1034 N THR A 70 9.641 4.607 -8.415 1.00 0.00 N ATOM 1035 CA THR A 70 10.876 4.429 -9.260 1.00 0.00 C ATOM 1036 C THR A 70 11.944 3.680 -8.447 1.00 0.00 C ATOM 1037 O THR A 70 12.048 3.861 -7.245 1.00 0.00 O ATOM 1038 CB THR A 70 11.402 5.821 -9.698 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.456 6.368 -10.631 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.707 5.656 -10.499 1.00 0.00 C ATOM 0 H THR A 70 9.808 5.048 -7.510 1.00 0.00 H new ATOM 0 HA THR A 70 10.640 3.846 -10.150 1.00 0.00 H new ATOM 0 HB THR A 70 11.551 6.442 -8.815 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.779 6.885 -10.146 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.073 6.636 -10.805 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.456 5.167 -9.877 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.517 5.048 -11.383 1.00 0.00 H new ATOM 1048 N ASN A 71 12.715 2.862 -9.117 1.00 0.00 N ATOM 1049 CA ASN A 71 13.798 2.052 -8.462 1.00 0.00 C ATOM 1050 C ASN A 71 15.296 2.302 -8.882 1.00 0.00 C ATOM 1051 O ASN A 71 15.815 1.582 -9.717 1.00 0.00 O ATOM 1052 CB ASN A 71 13.363 0.598 -8.714 1.00 0.00 C ATOM 1053 CG ASN A 71 14.265 -0.334 -7.932 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.068 0.082 -7.119 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.181 -1.605 -8.123 1.00 0.00 N ATOM 0 H ASN A 71 12.639 2.715 -10.123 1.00 0.00 H new ATOM 0 HA ASN A 71 13.862 2.351 -7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.325 0.458 -8.411 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.418 0.369 -9.778 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.781 -2.240 -7.597 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.514 -1.976 -8.800 1.00 0.00 H new ATOM 1062 N PRO A 72 15.964 3.283 -8.295 1.00 0.00 N ATOM 1063 CA PRO A 72 17.306 3.760 -8.775 1.00 0.00 C ATOM 1064 C PRO A 72 18.333 2.624 -8.927 1.00 0.00 C ATOM 1065 O PRO A 72 19.291 2.733 -9.667 1.00 0.00 O ATOM 1066 CB PRO A 72 17.748 4.810 -7.742 1.00 0.00 C ATOM 1067 CG PRO A 72 16.410 5.318 -7.153 1.00 0.00 C ATOM 1068 CD PRO A 72 15.518 4.047 -7.090 1.00 0.00 C ATOM 0 HA PRO A 72 17.236 4.179 -9.779 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.386 4.374 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.315 5.617 -8.206 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.550 5.756 -6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.964 6.088 -7.783 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.677 3.484 -6.170 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.457 4.293 -7.134 1.00 0.00 H new ATOM 1076 N ALA A 73 18.100 1.560 -8.203 1.00 0.00 N ATOM 1077 CA ALA A 73 19.006 0.373 -8.242 1.00 0.00 C ATOM 1078 C ALA A 73 19.050 -0.267 -9.651 1.00 0.00 C ATOM 1079 O ALA A 73 20.051 -0.814 -10.064 1.00 0.00 O ATOM 1080 CB ALA A 73 18.481 -0.610 -7.189 1.00 0.00 C ATOM 0 H ALA A 73 17.303 1.462 -7.574 1.00 0.00 H new ATOM 0 HA ALA A 73 20.033 0.663 -8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.110 -1.500 -7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.501 -0.137 -6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.457 -0.893 -7.434 1.00 0.00 H new ATOM 1086 N THR A 74 17.949 -0.176 -10.342 1.00 0.00 N ATOM 1087 CA THR A 74 17.837 -0.755 -11.735 1.00 0.00 C ATOM 1088 C THR A 74 17.526 0.328 -12.756 1.00 0.00 C ATOM 1089 O THR A 74 17.963 0.282 -13.889 1.00 0.00 O ATOM 1090 CB THR A 74 16.721 -1.798 -11.781 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.582 -1.109 -11.290 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.947 -2.875 -10.726 1.00 0.00 C ATOM 0 H THR A 74 17.101 0.280 -10.006 1.00 0.00 H new ATOM 0 HA THR A 74 18.795 -1.214 -11.979 1.00 0.00 H new ATOM 0 HB THR A 74 16.650 -2.229 -12.779 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.810 -1.713 -11.287 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.141 -3.608 -10.776 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.900 -3.371 -10.910 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.961 -2.418 -9.737 1.00 0.00 H new ATOM 1100 N GLY A 75 16.755 1.285 -12.313 1.00 0.00 N ATOM 1101 CA GLY A 75 16.338 2.438 -13.169 1.00 0.00 C ATOM 1102 C GLY A 75 14.913 2.226 -13.641 1.00 0.00 C ATOM 1103 O GLY A 75 14.377 3.050 -14.353 1.00 0.00 O ATOM 0 H GLY A 75 16.385 1.317 -11.363 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.412 3.368 -12.606 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.006 2.530 -14.025 1.00 0.00 H new ATOM 1107 N ALA A 76 14.312 1.142 -13.230 1.00 0.00 N ATOM 1108 CA ALA A 76 12.917 0.898 -13.688 1.00 0.00 C ATOM 1109 C ALA A 76 11.953 1.696 -12.820 1.00 0.00 C ATOM 1110 O ALA A 76 12.230 2.074 -11.699 1.00 0.00 O ATOM 1111 CB ALA A 76 12.639 -0.618 -13.588 1.00 0.00 C ATOM 0 H ALA A 76 14.713 0.434 -12.615 1.00 0.00 H new ATOM 0 HA ALA A 76 12.781 1.220 -14.720 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.621 -0.824 -13.919 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.342 -1.159 -14.221 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.757 -0.942 -12.554 1.00 0.00 H new ATOM 1117 N GLN A 77 10.819 1.962 -13.385 1.00 0.00 N ATOM 1118 CA GLN A 77 9.782 2.731 -12.650 1.00 0.00 C ATOM 1119 C GLN A 77 8.414 2.272 -13.121 1.00 0.00 C ATOM 1120 O GLN A 77 8.254 1.808 -14.234 1.00 0.00 O ATOM 1121 CB GLN A 77 9.980 4.249 -12.919 1.00 0.00 C ATOM 1122 CG GLN A 77 9.974 4.562 -14.449 1.00 0.00 C ATOM 1123 CD GLN A 77 9.742 6.052 -14.678 1.00 0.00 C ATOM 1124 OE1 GLN A 77 8.975 6.695 -13.984 1.00 0.00 O ATOM 1125 NE2 GLN A 77 10.369 6.648 -15.642 1.00 0.00 N ATOM 0 H GLN A 77 10.560 1.680 -14.330 1.00 0.00 H new ATOM 0 HA GLN A 77 9.865 2.559 -11.577 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.188 4.814 -12.427 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.923 4.577 -12.483 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.923 4.261 -14.893 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.193 3.984 -14.943 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.015 6.123 -16.232 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.217 7.642 -15.811 1.00 0.00 H new ATOM 1134 N ILE A 78 7.466 2.406 -12.248 1.00 0.00 N ATOM 1135 CA ILE A 78 6.069 2.007 -12.558 1.00 0.00 C ATOM 1136 C ILE A 78 5.038 2.972 -11.922 1.00 0.00 C ATOM 1137 O ILE A 78 5.361 3.685 -10.983 1.00 0.00 O ATOM 1138 CB ILE A 78 5.978 0.594 -12.034 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.865 -0.173 -12.758 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.719 0.594 -10.522 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.402 -0.760 -14.091 1.00 0.00 C ATOM 0 H ILE A 78 7.601 2.784 -11.310 1.00 0.00 H new ATOM 0 HA ILE A 78 5.833 2.056 -13.621 1.00 0.00 H new ATOM 0 HB ILE A 78 6.929 0.097 -12.224 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.493 -0.976 -12.122 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.024 0.492 -12.957 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.657 -0.433 -10.164 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.535 1.107 -10.013 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.781 1.109 -10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.604 -1.303 -14.597 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.752 0.050 -14.730 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.228 -1.440 -13.882 1.00 0.00 H new ATOM 1153 N THR A 79 3.835 2.976 -12.442 1.00 0.00 N ATOM 1154 CA THR A 79 2.770 3.874 -11.871 1.00 0.00 C ATOM 1155 C THR A 79 1.518 3.084 -11.489 1.00 0.00 C ATOM 1156 O THR A 79 0.919 2.377 -12.281 1.00 0.00 O ATOM 1157 CB THR A 79 2.419 4.954 -12.902 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.562 5.778 -12.841 1.00 0.00 O ATOM 1159 CG2 THR A 79 1.309 5.885 -12.431 1.00 0.00 C ATOM 0 H THR A 79 3.541 2.402 -13.232 1.00 0.00 H new ATOM 0 HA THR A 79 3.156 4.337 -10.963 1.00 0.00 H new ATOM 0 HB THR A 79 2.132 4.499 -13.850 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.462 6.523 -13.469 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.105 6.627 -13.203 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.406 5.306 -12.237 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.620 6.389 -11.516 1.00 0.00 H new ATOM 1167 N ALA A 80 1.124 3.238 -10.257 1.00 0.00 N ATOM 1168 CA ALA A 80 -0.095 2.490 -9.804 1.00 0.00 C ATOM 1169 C ALA A 80 -1.278 3.425 -9.519 1.00 0.00 C ATOM 1170 O ALA A 80 -1.110 4.616 -9.394 1.00 0.00 O ATOM 1171 CB ALA A 80 0.323 1.680 -8.555 1.00 0.00 C ATOM 0 H ALA A 80 1.573 3.829 -9.557 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.450 1.825 -10.591 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.532 1.115 -8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.125 0.991 -8.820 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.671 2.362 -7.779 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.422 2.804 -9.411 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.734 3.484 -9.138 1.00 0.00 C ATOM 1179 C ARG A 81 -4.100 3.322 -7.661 1.00 0.00 C ATOM 1180 O ARG A 81 -4.166 2.187 -7.219 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.838 2.837 -10.017 1.00 0.00 C ATOM 1182 CG ARG A 81 -4.728 1.288 -10.192 1.00 0.00 C ATOM 1183 CD ARG A 81 -5.868 0.842 -11.177 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.859 -0.088 -10.502 1.00 0.00 N ATOM 1185 CZ ARG A 81 -7.747 0.280 -9.648 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -7.400 1.188 -8.860 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -8.905 -0.232 -9.582 1.00 0.00 N ATOM 0 H ARG A 81 -2.508 1.792 -9.506 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.650 4.545 -9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.810 3.069 -9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.813 3.300 -11.003 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.750 1.015 -10.589 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.833 0.785 -9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.391 1.722 -11.551 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.429 0.342 -12.040 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.818 -1.078 -10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.463 1.587 -8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.054 1.530 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.171 -0.975 -10.228 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.570 0.099 -8.883 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.327 4.416 -6.980 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.686 4.424 -5.519 1.00 0.00 C ATOM 1203 C ILE A 82 -6.210 4.355 -5.250 1.00 0.00 C ATOM 1204 O ILE A 82 -6.889 5.367 -5.197 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.095 5.724 -4.862 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.563 5.844 -5.180 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.262 5.615 -3.319 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.004 7.213 -4.724 1.00 0.00 C ATOM 0 H ILE A 82 -4.277 5.348 -7.392 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.258 3.523 -5.079 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.618 6.595 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.021 5.042 -4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.400 5.720 -6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.857 6.509 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.320 5.521 -3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.726 4.738 -2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.941 7.268 -4.957 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.531 8.013 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.146 7.324 -3.649 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.712 3.159 -5.098 1.00 0.00 N ATOM 1221 CA VAL A 83 -8.160 2.966 -4.827 1.00 0.00 C ATOM 1222 C VAL A 83 -8.483 2.179 -3.546 1.00 0.00 C ATOM 1223 O VAL A 83 -9.580 2.267 -3.027 1.00 0.00 O ATOM 1224 CB VAL A 83 -8.735 2.258 -5.986 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -8.667 3.213 -7.214 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.017 0.893 -6.143 1.00 0.00 C ATOM 0 H VAL A 83 -6.169 2.297 -5.152 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.590 3.955 -4.672 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.789 2.008 -5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.087 2.713 -8.087 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.238 4.117 -7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.628 3.478 -7.412 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.433 0.359 -6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.952 1.059 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.161 0.300 -5.240 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.546 1.414 -3.054 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.911 0.649 -1.787 1.00 0.00 C ATOM 1238 C ASP A 84 -7.139 1.103 -0.553 1.00 0.00 C ATOM 1239 O ASP A 84 -6.275 1.949 -0.591 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.639 -0.885 -2.049 1.00 0.00 C ATOM 1241 CG ASP A 84 -8.612 -1.625 -2.953 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -9.518 -1.011 -3.472 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -8.375 -2.812 -3.075 1.00 0.00 O ATOM 0 H ASP A 84 -6.606 1.278 -3.427 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.961 0.845 -1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.641 -0.982 -2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.622 -1.393 -1.085 1.00 0.00 H new ATOM 1248 N GLN A 85 -7.502 0.532 0.554 1.00 0.00 N ATOM 1249 CA GLN A 85 -6.823 0.854 1.829 1.00 0.00 C ATOM 1250 C GLN A 85 -6.779 -0.492 2.567 1.00 0.00 C ATOM 1251 O GLN A 85 -7.731 -1.255 2.558 1.00 0.00 O ATOM 1252 CB GLN A 85 -7.657 1.885 2.511 1.00 0.00 C ATOM 1253 CG GLN A 85 -6.917 2.402 3.790 1.00 0.00 C ATOM 1254 CD GLN A 85 -7.824 3.401 4.488 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -8.959 3.100 4.773 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -7.441 4.597 4.804 1.00 0.00 N ATOM 0 H GLN A 85 -8.252 -0.155 0.629 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.816 1.264 1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.853 2.715 1.832 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.624 1.462 2.785 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.682 1.571 4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.971 2.871 3.519 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.493 4.903 4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.088 5.233 5.271 1.00 0.00 H new ATOM 1265 N CYS A 86 -5.661 -0.719 3.195 1.00 0.00 N ATOM 1266 CA CYS A 86 -5.446 -1.995 3.957 1.00 0.00 C ATOM 1267 C CYS A 86 -5.539 -1.771 5.483 1.00 0.00 C ATOM 1268 O CYS A 86 -5.721 -0.667 5.953 1.00 0.00 O ATOM 1269 CB CYS A 86 -4.067 -2.515 3.493 1.00 0.00 C ATOM 1270 SG CYS A 86 -3.081 -1.162 2.820 1.00 0.00 S ATOM 0 H CYS A 86 -4.873 -0.071 3.217 1.00 0.00 H new ATOM 0 HA CYS A 86 -6.221 -2.735 3.755 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.543 -2.974 4.331 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.198 -3.289 2.737 1.00 0.00 H new ATOM 1275 N ALA A 87 -5.411 -2.841 6.219 1.00 0.00 N ATOM 1276 CA ALA A 87 -5.491 -2.758 7.715 1.00 0.00 C ATOM 1277 C ALA A 87 -4.144 -2.897 8.453 1.00 0.00 C ATOM 1278 O ALA A 87 -3.705 -1.989 9.129 1.00 0.00 O ATOM 1279 CB ALA A 87 -6.478 -3.855 8.142 1.00 0.00 C ATOM 0 H ALA A 87 -5.253 -3.779 5.850 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.822 -1.758 7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.582 -3.848 9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.449 -3.669 7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.104 -4.827 7.819 1.00 0.00 H new ATOM 1285 N ASN A 88 -3.527 -4.035 8.294 1.00 0.00 N ATOM 1286 CA ASN A 88 -2.206 -4.327 8.947 1.00 0.00 C ATOM 1287 C ASN A 88 -1.114 -4.441 7.872 1.00 0.00 C ATOM 1288 O ASN A 88 -0.208 -5.247 7.939 1.00 0.00 O ATOM 1289 CB ASN A 88 -2.369 -5.646 9.737 1.00 0.00 C ATOM 1290 CG ASN A 88 -3.016 -6.677 8.816 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -2.560 -7.005 7.745 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -4.119 -7.240 9.171 1.00 0.00 N ATOM 0 H ASN A 88 -3.889 -4.800 7.724 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.907 -3.528 9.626 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.400 -6.003 10.085 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.986 -5.486 10.621 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.562 -7.925 8.558 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.549 -7.001 10.065 1.00 0.00 H new ATOM 1299 N GLY A 89 -1.246 -3.586 6.902 1.00 0.00 N ATOM 1300 CA GLY A 89 -0.265 -3.564 5.768 1.00 0.00 C ATOM 1301 C GLY A 89 0.743 -2.454 5.996 1.00 0.00 C ATOM 1302 O GLY A 89 0.608 -1.672 6.917 1.00 0.00 O ATOM 0 H GLY A 89 -1.993 -2.894 6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.245 -4.524 5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.787 -3.408 4.824 1.00 0.00 H new ATOM 1306 N GLY A 90 1.731 -2.405 5.151 1.00 0.00 N ATOM 1307 CA GLY A 90 2.775 -1.347 5.301 1.00 0.00 C ATOM 1308 C GLY A 90 3.284 -0.905 3.951 1.00 0.00 C ATOM 1309 O GLY A 90 4.460 -1.056 3.678 1.00 0.00 O ATOM 0 H GLY A 90 1.864 -3.044 4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.360 -0.493 5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.602 -1.728 5.900 1.00 0.00 H new ATOM 1313 N LEU A 91 2.339 -0.404 3.196 1.00 0.00 N ATOM 1314 CA LEU A 91 2.527 0.134 1.789 1.00 0.00 C ATOM 1315 C LEU A 91 1.293 0.249 0.890 1.00 0.00 C ATOM 1316 O LEU A 91 0.692 1.295 0.737 1.00 0.00 O ATOM 1317 CB LEU A 91 3.669 -0.709 0.963 1.00 0.00 C ATOM 1318 CG LEU A 91 4.523 0.263 0.059 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.672 1.342 -0.641 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.618 0.944 0.883 1.00 0.00 C ATOM 0 H LEU A 91 1.372 -0.338 3.514 1.00 0.00 H new ATOM 0 HA LEU A 91 2.830 1.159 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.321 -1.232 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.192 -1.468 0.343 1.00 0.00 H new ATOM 0 HG LEU A 91 4.968 -0.361 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.317 1.978 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.931 0.863 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.165 1.949 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.195 1.610 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.162 1.521 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.278 0.187 1.308 1.00 0.00 H new ATOM 1332 N ASP A 92 1.001 -0.883 0.378 1.00 0.00 N ATOM 1333 CA ASP A 92 -0.171 -1.128 -0.597 1.00 0.00 C ATOM 1334 C ASP A 92 -0.765 -2.534 -0.852 1.00 0.00 C ATOM 1335 O ASP A 92 -0.509 -3.463 -0.126 1.00 0.00 O ATOM 1336 CB ASP A 92 0.268 -0.489 -1.968 1.00 0.00 C ATOM 1337 CG ASP A 92 1.517 -1.017 -2.673 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.016 -2.077 -2.331 1.00 0.00 O ATOM 1339 OD2 ASP A 92 1.860 -0.241 -3.556 1.00 0.00 O ATOM 0 H ASP A 92 1.534 -1.729 0.581 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.017 -0.682 -0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.568 -0.593 -2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.413 0.578 -1.801 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.606 -2.699 -1.848 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.163 -4.095 -2.119 1.00 0.00 C ATOM 1346 C LEU A 93 -1.773 -4.161 -3.584 1.00 0.00 C ATOM 1347 O LEU A 93 -2.470 -3.693 -4.454 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.764 -4.253 -1.878 1.00 0.00 C ATOM 1349 CG LEU A 93 -4.730 -4.408 -3.100 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -6.079 -4.928 -2.578 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -5.024 -3.095 -3.790 1.00 0.00 C ATOM 0 H LEU A 93 -1.931 -1.963 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.793 -4.885 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.911 -5.122 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.094 -3.381 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.245 -5.079 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.771 -5.045 -3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.933 -5.892 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.491 -4.217 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.699 -3.268 -4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.491 -2.409 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.094 -2.660 -4.156 1.00 0.00 H new ATOM 1363 N ASP A 94 -0.576 -4.676 -3.697 1.00 0.00 N ATOM 1364 CA ASP A 94 0.187 -4.913 -4.957 1.00 0.00 C ATOM 1365 C ASP A 94 0.017 -6.264 -5.649 1.00 0.00 C ATOM 1366 O ASP A 94 -0.744 -6.511 -6.557 1.00 0.00 O ATOM 1367 CB ASP A 94 1.726 -4.652 -4.671 1.00 0.00 C ATOM 1368 CG ASP A 94 2.172 -3.269 -5.078 1.00 0.00 C ATOM 1369 OD1 ASP A 94 1.364 -2.404 -5.369 1.00 0.00 O ATOM 1370 OD2 ASP A 94 3.388 -3.211 -5.076 1.00 0.00 O ATOM 0 H ASP A 94 -0.049 -4.970 -2.875 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.246 -4.212 -5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.922 -4.794 -3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.321 -5.392 -5.206 1.00 0.00 H new ATOM 1375 N TRP A 95 0.857 -7.092 -5.079 1.00 0.00 N ATOM 1376 CA TRP A 95 1.120 -8.528 -5.367 1.00 0.00 C ATOM 1377 C TRP A 95 1.833 -8.674 -6.691 1.00 0.00 C ATOM 1378 O TRP A 95 2.855 -9.321 -6.785 1.00 0.00 O ATOM 1379 CB TRP A 95 -0.132 -9.444 -5.521 1.00 0.00 C ATOM 1380 CG TRP A 95 0.528 -10.801 -5.976 1.00 0.00 C ATOM 1381 CD1 TRP A 95 0.283 -11.433 -7.159 1.00 0.00 C ATOM 1382 CD2 TRP A 95 1.506 -11.494 -5.314 1.00 0.00 C ATOM 1383 NE1 TRP A 95 1.118 -12.457 -7.148 1.00 0.00 N ATOM 1384 CE2 TRP A 95 1.893 -12.568 -6.087 1.00 0.00 C ATOM 1385 CE3 TRP A 95 2.149 -11.287 -4.099 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 2.893 -13.406 -5.662 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 3.154 -12.127 -3.673 1.00 0.00 C ATOM 1388 CH2 TRP A 95 3.527 -13.189 -4.461 1.00 0.00 C ATOM 0 H TRP A 95 1.450 -6.766 -4.316 1.00 0.00 H new ATOM 0 HA TRP A 95 1.689 -8.842 -4.492 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.682 -9.548 -4.586 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.833 -9.060 -6.262 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.427 -11.160 -7.926 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.161 -13.125 -7.918 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.855 -10.453 -3.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.185 -14.244 -6.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.645 -11.952 -2.727 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.316 -13.852 -4.138 1.00 0.00 H new ATOM 1399 N ASP A 96 1.230 -8.070 -7.655 1.00 0.00 N ATOM 1400 CA ASP A 96 1.778 -8.109 -9.045 1.00 0.00 C ATOM 1401 C ASP A 96 1.899 -6.741 -9.720 1.00 0.00 C ATOM 1402 O ASP A 96 2.412 -6.656 -10.826 1.00 0.00 O ATOM 1403 CB ASP A 96 0.851 -9.034 -9.844 1.00 0.00 C ATOM 1404 CG ASP A 96 -0.559 -8.458 -9.903 1.00 0.00 C ATOM 1405 OD1 ASP A 96 -0.894 -7.580 -9.127 1.00 0.00 O ATOM 1406 OD2 ASP A 96 -1.235 -8.968 -10.766 1.00 0.00 O ATOM 0 H ASP A 96 0.366 -7.539 -7.551 1.00 0.00 H new ATOM 0 HA ASP A 96 2.804 -8.474 -9.008 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.240 -9.163 -10.854 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.828 -10.021 -9.383 1.00 0.00 H new ATOM 1411 N THR A 97 1.431 -5.714 -9.060 1.00 0.00 N ATOM 1412 CA THR A 97 1.523 -4.367 -9.687 1.00 0.00 C ATOM 1413 C THR A 97 2.790 -3.535 -9.430 1.00 0.00 C ATOM 1414 O THR A 97 3.481 -3.307 -10.405 1.00 0.00 O ATOM 1415 CB THR A 97 0.275 -3.575 -9.251 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.438 -3.630 -7.844 1.00 0.00 O ATOM 1417 CG2 THR A 97 -1.027 -4.407 -9.501 1.00 0.00 C ATOM 0 H THR A 97 0.999 -5.748 -8.136 1.00 0.00 H new ATOM 0 HA THR A 97 1.581 -4.552 -10.760 1.00 0.00 H new ATOM 0 HB THR A 97 0.192 -2.606 -9.743 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.352 -2.729 -7.469 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.895 -3.828 -9.186 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.112 -4.640 -10.563 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.982 -5.334 -8.929 1.00 0.00 H new ATOM 1425 N VAL A 98 3.144 -3.065 -8.253 1.00 0.00 N ATOM 1426 CA VAL A 98 4.420 -2.260 -8.158 1.00 0.00 C ATOM 1427 C VAL A 98 5.704 -3.065 -7.861 1.00 0.00 C ATOM 1428 O VAL A 98 6.559 -3.208 -8.717 1.00 0.00 O ATOM 1429 CB VAL A 98 4.291 -1.141 -7.061 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.460 -0.149 -7.239 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.958 -0.363 -7.204 1.00 0.00 C ATOM 0 H VAL A 98 2.630 -3.194 -7.381 1.00 0.00 H new ATOM 0 HA VAL A 98 4.535 -1.846 -9.160 1.00 0.00 H new ATOM 0 HB VAL A 98 4.313 -1.611 -6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.389 0.636 -6.486 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.406 -0.677 -7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.412 0.296 -8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.899 0.403 -6.431 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.915 0.108 -8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.121 -1.053 -7.096 1.00 0.00 H new ATOM 1441 N PHE A 99 5.784 -3.574 -6.651 1.00 0.00 N ATOM 1442 CA PHE A 99 6.998 -4.371 -6.231 1.00 0.00 C ATOM 1443 C PHE A 99 7.404 -5.415 -7.293 1.00 0.00 C ATOM 1444 O PHE A 99 8.410 -5.270 -7.963 1.00 0.00 O ATOM 1445 CB PHE A 99 6.681 -5.055 -4.858 1.00 0.00 C ATOM 1446 CG PHE A 99 8.030 -5.339 -4.154 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.676 -4.324 -3.457 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.630 -6.584 -4.213 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.899 -4.543 -2.829 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.845 -6.806 -3.592 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.476 -5.788 -2.902 1.00 0.00 C ATOM 0 H PHE A 99 5.065 -3.475 -5.934 1.00 0.00 H new ATOM 0 HA PHE A 99 7.850 -3.699 -6.129 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.057 -4.407 -4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.126 -5.981 -5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.220 -3.347 -3.402 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.146 -7.388 -4.748 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.388 -3.744 -2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.304 -7.782 -3.646 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.425 -5.971 -2.419 1.00 0.00 H new ATOM 1461 N THR A 100 6.598 -6.433 -7.417 1.00 0.00 N ATOM 1462 CA THR A 100 6.775 -7.576 -8.397 1.00 0.00 C ATOM 1463 C THR A 100 7.321 -7.205 -9.753 1.00 0.00 C ATOM 1464 O THR A 100 7.960 -7.981 -10.436 1.00 0.00 O ATOM 1465 CB THR A 100 5.445 -8.255 -8.627 1.00 0.00 C ATOM 1466 OG1 THR A 100 4.494 -7.569 -7.831 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.409 -9.686 -8.204 1.00 0.00 C ATOM 0 H THR A 100 5.762 -6.534 -6.842 1.00 0.00 H new ATOM 0 HA THR A 100 7.517 -8.219 -7.924 1.00 0.00 H new ATOM 0 HB THR A 100 5.246 -8.228 -9.698 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.145 -8.174 -7.144 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.420 -10.099 -8.403 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.157 -10.249 -8.762 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.624 -9.756 -7.138 1.00 0.00 H new ATOM 1475 N LYS A 101 6.998 -5.991 -10.081 1.00 0.00 N ATOM 1476 CA LYS A 101 7.399 -5.393 -11.362 1.00 0.00 C ATOM 1477 C LYS A 101 8.703 -4.558 -11.328 1.00 0.00 C ATOM 1478 O LYS A 101 9.560 -4.737 -12.170 1.00 0.00 O ATOM 1479 CB LYS A 101 6.264 -4.491 -11.823 1.00 0.00 C ATOM 1480 CG LYS A 101 5.043 -5.276 -12.303 1.00 0.00 C ATOM 1481 CD LYS A 101 5.225 -5.494 -13.804 1.00 0.00 C ATOM 1482 CE LYS A 101 3.938 -6.002 -14.395 1.00 0.00 C ATOM 1483 NZ LYS A 101 4.141 -5.999 -15.883 1.00 0.00 N ATOM 0 H LYS A 101 6.451 -5.371 -9.484 1.00 0.00 H new ATOM 0 HA LYS A 101 7.602 -6.223 -12.038 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.970 -3.836 -11.003 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.619 -3.851 -12.630 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.965 -6.229 -11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.124 -4.725 -12.100 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.516 -4.560 -14.286 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.028 -6.209 -13.984 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.711 -7.005 -14.033 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.100 -5.364 -14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.279 -6.343 -16.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.347 -5.031 -16.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.938 -6.621 -16.126 1.00 0.00 H new ATOM 1497 N ILE A 102 8.809 -3.660 -10.375 1.00 0.00 N ATOM 1498 CA ILE A 102 10.047 -2.801 -10.278 1.00 0.00 C ATOM 1499 C ILE A 102 11.267 -3.539 -9.718 1.00 0.00 C ATOM 1500 O ILE A 102 12.362 -2.998 -9.771 1.00 0.00 O ATOM 1501 CB ILE A 102 9.722 -1.544 -9.395 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.357 -1.906 -7.932 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.542 -0.775 -10.012 1.00 0.00 C ATOM 1504 CD1 ILE A 102 10.618 -1.934 -7.026 1.00 0.00 C ATOM 0 H ILE A 102 8.101 -3.482 -9.663 1.00 0.00 H new ATOM 0 HA ILE A 102 10.318 -2.507 -11.292 1.00 0.00 H new ATOM 0 HB ILE A 102 10.627 -0.937 -9.372 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.643 -1.180 -7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.867 -2.879 -7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.316 0.098 -9.399 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.805 -0.453 -11.020 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.667 -1.424 -10.055 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.328 -2.191 -6.007 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.320 -2.678 -7.402 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.092 -0.953 -7.032 1.00 0.00 H new ATOM 1516 N ASP A 103 11.014 -4.715 -9.202 1.00 0.00 N ATOM 1517 CA ASP A 103 12.087 -5.585 -8.625 1.00 0.00 C ATOM 1518 C ASP A 103 12.478 -6.598 -9.733 1.00 0.00 C ATOM 1519 O ASP A 103 11.690 -7.359 -10.255 1.00 0.00 O ATOM 1520 CB ASP A 103 11.522 -6.302 -7.380 1.00 0.00 C ATOM 1521 CG ASP A 103 12.571 -7.226 -6.718 1.00 0.00 C ATOM 1522 OD1 ASP A 103 13.730 -6.834 -6.665 1.00 0.00 O ATOM 1523 OD2 ASP A 103 12.154 -8.285 -6.282 1.00 0.00 O ATOM 0 H ASP A 103 10.079 -5.121 -9.155 1.00 0.00 H new ATOM 0 HA ASP A 103 12.965 -5.018 -8.315 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.184 -5.560 -6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 103 10.649 -6.890 -7.665 1.00 0.00 H new ATOM 1528 N THR A 104 13.735 -6.563 -10.054 1.00 0.00 N ATOM 1529 CA THR A 104 14.336 -7.444 -11.113 1.00 0.00 C ATOM 1530 C THR A 104 14.864 -8.785 -10.621 1.00 0.00 C ATOM 1531 O THR A 104 14.886 -9.765 -11.339 1.00 0.00 O ATOM 1532 CB THR A 104 15.481 -6.651 -11.762 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.231 -6.149 -10.657 1.00 0.00 O ATOM 1534 CG2 THR A 104 14.962 -5.360 -12.374 1.00 0.00 C ATOM 0 H THR A 104 14.407 -5.936 -9.612 1.00 0.00 H new ATOM 0 HA THR A 104 13.538 -7.700 -11.811 1.00 0.00 H new ATOM 0 HB THR A 104 15.995 -7.279 -12.490 1.00 0.00 H new ATOM 0 HG1 THR A 104 16.991 -5.626 -10.988 1.00 0.00 H new ATOM 0 HG21 THR A 104 15.789 -4.814 -12.828 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.218 -5.592 -13.136 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.506 -4.747 -11.597 1.00 0.00 H new ATOM 1542 N ASN A 105 15.299 -8.774 -9.397 1.00 0.00 N ATOM 1543 CA ASN A 105 15.860 -10.018 -8.768 1.00 0.00 C ATOM 1544 C ASN A 105 15.321 -10.393 -7.372 1.00 0.00 C ATOM 1545 O ASN A 105 14.899 -11.514 -7.167 1.00 0.00 O ATOM 1546 CB ASN A 105 17.400 -9.812 -8.756 1.00 0.00 C ATOM 1547 CG ASN A 105 17.763 -8.561 -7.963 1.00 0.00 C ATOM 1548 OD1 ASN A 105 16.998 -7.637 -7.830 1.00 0.00 O ATOM 1549 ND2 ASN A 105 18.916 -8.439 -7.402 1.00 0.00 N ATOM 0 H ASN A 105 15.294 -7.953 -8.791 1.00 0.00 H new ATOM 0 HA ASN A 105 15.539 -10.876 -9.359 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.886 -10.683 -8.316 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.769 -9.723 -9.778 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.142 -7.593 -6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.603 -9.188 -7.481 1.00 0.00 H new ATOM 1556 N GLY A 106 15.351 -9.461 -6.454 1.00 0.00 N ATOM 1557 CA GLY A 106 14.852 -9.741 -5.052 1.00 0.00 C ATOM 1558 C GLY A 106 15.569 -9.589 -3.699 1.00 0.00 C ATOM 1559 O GLY A 106 15.077 -10.075 -2.698 1.00 0.00 O ATOM 0 H GLY A 106 15.698 -8.514 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.952 -9.134 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.533 -10.783 -5.078 1.00 0.00 H new ATOM 1563 N ILE A 107 16.718 -8.938 -3.681 1.00 0.00 N ATOM 1564 CA ILE A 107 17.460 -8.746 -2.381 1.00 0.00 C ATOM 1565 C ILE A 107 16.437 -8.429 -1.276 1.00 0.00 C ATOM 1566 O ILE A 107 16.336 -9.081 -0.252 1.00 0.00 O ATOM 1567 CB ILE A 107 18.475 -7.559 -2.498 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.548 -7.770 -3.613 1.00 0.00 C ATOM 1569 CG2 ILE A 107 19.163 -7.316 -1.121 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.137 -9.197 -3.578 1.00 0.00 C ATOM 0 H ILE A 107 17.170 -8.535 -4.502 1.00 0.00 H new ATOM 0 HA ILE A 107 18.012 -9.655 -2.144 1.00 0.00 H new ATOM 0 HB ILE A 107 17.901 -6.679 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 107 19.099 -7.586 -4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 107 20.350 -7.042 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.868 -6.489 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 107 18.407 -7.072 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.696 -8.217 -0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 107 20.879 -9.304 -4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 107 20.609 -9.372 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 107 19.339 -9.924 -3.729 1.00 0.00 H new ATOM 1582 N GLY A 108 15.702 -7.384 -1.583 1.00 0.00 N ATOM 1583 CA GLY A 108 14.621 -6.864 -0.680 1.00 0.00 C ATOM 1584 C GLY A 108 13.793 -8.026 -0.153 1.00 0.00 C ATOM 1585 O GLY A 108 13.722 -8.233 1.034 1.00 0.00 O ATOM 0 H GLY A 108 15.810 -6.854 -2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.061 -6.312 0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.983 -6.167 -1.224 1.00 0.00 H new ATOM 1589 N TYR A 109 13.210 -8.756 -1.057 1.00 0.00 N ATOM 1590 CA TYR A 109 12.363 -9.929 -0.698 1.00 0.00 C ATOM 1591 C TYR A 109 13.051 -10.812 0.384 1.00 0.00 C ATOM 1592 O TYR A 109 12.390 -11.295 1.282 1.00 0.00 O ATOM 1593 CB TYR A 109 12.114 -10.643 -2.033 1.00 0.00 C ATOM 1594 CG TYR A 109 10.909 -11.574 -1.891 1.00 0.00 C ATOM 1595 CD1 TYR A 109 11.022 -12.803 -1.280 1.00 0.00 C ATOM 1596 CD2 TYR A 109 9.680 -11.170 -2.372 1.00 0.00 C ATOM 1597 CE1 TYR A 109 9.914 -13.619 -1.157 1.00 0.00 C ATOM 1598 CE2 TYR A 109 8.574 -11.983 -2.246 1.00 0.00 C ATOM 1599 CZ TYR A 109 8.688 -13.209 -1.639 1.00 0.00 C ATOM 1600 OH TYR A 109 7.579 -14.013 -1.519 1.00 0.00 O ATOM 0 H TYR A 109 13.286 -8.585 -2.060 1.00 0.00 H new ATOM 0 HA TYR A 109 11.416 -9.655 -0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.933 -9.912 -2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.996 -11.213 -2.324 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.978 -13.129 -0.897 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.584 -10.207 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.008 -14.584 -0.681 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.617 -11.655 -2.625 1.00 0.00 H new ATOM 0 HH TYR A 109 6.804 -13.562 -1.913 1.00 0.00 H new ATOM 1610 N GLN A 110 14.346 -10.968 0.247 1.00 0.00 N ATOM 1611 CA GLN A 110 15.194 -11.780 1.196 1.00 0.00 C ATOM 1612 C GLN A 110 15.559 -11.013 2.503 1.00 0.00 C ATOM 1613 O GLN A 110 15.699 -11.619 3.550 1.00 0.00 O ATOM 1614 CB GLN A 110 16.505 -12.187 0.473 1.00 0.00 C ATOM 1615 CG GLN A 110 16.261 -13.199 -0.680 1.00 0.00 C ATOM 1616 CD GLN A 110 15.919 -14.575 -0.130 1.00 0.00 C ATOM 1617 OE1 GLN A 110 16.600 -15.112 0.710 1.00 0.00 O ATOM 1618 NE2 GLN A 110 14.883 -15.213 -0.554 1.00 0.00 N ATOM 0 H GLN A 110 14.878 -10.549 -0.516 1.00 0.00 H new ATOM 0 HA GLN A 110 14.607 -12.651 1.487 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.987 -11.295 0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.194 -12.624 1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.449 -12.844 -1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 110 17.150 -13.264 -1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 110 14.281 -14.794 -1.263 1.00 0.00 H new ATOM 0 HE22 GLN A 110 14.665 -16.137 -0.180 1.00 0.00 H new ATOM 1627 N GLN A 111 15.708 -9.718 2.404 1.00 0.00 N ATOM 1628 CA GLN A 111 16.066 -8.874 3.606 1.00 0.00 C ATOM 1629 C GLN A 111 14.856 -8.319 4.405 1.00 0.00 C ATOM 1630 O GLN A 111 14.949 -8.166 5.606 1.00 0.00 O ATOM 1631 CB GLN A 111 16.951 -7.697 3.109 1.00 0.00 C ATOM 1632 CG GLN A 111 17.605 -6.957 4.336 1.00 0.00 C ATOM 1633 CD GLN A 111 18.367 -5.679 3.958 1.00 0.00 C ATOM 1634 OE1 GLN A 111 19.188 -5.185 4.696 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.155 -5.071 2.834 1.00 0.00 N ATOM 0 H GLN A 111 15.598 -9.194 1.536 1.00 0.00 H new ATOM 0 HA GLN A 111 16.588 -9.524 4.308 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.729 -8.072 2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 111 16.348 -6.997 2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 111 16.824 -6.704 5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 111 18.289 -7.641 4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.473 -5.444 2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 111 18.670 -4.220 2.610 1.00 0.00 H new ATOM 1644 N GLY A 112 13.766 -8.023 3.744 1.00 0.00 N ATOM 1645 CA GLY A 112 12.530 -7.474 4.412 1.00 0.00 C ATOM 1646 C GLY A 112 12.023 -6.168 3.771 1.00 0.00 C ATOM 1647 O GLY A 112 10.837 -5.912 3.720 1.00 0.00 O ATOM 0 H GLY A 112 13.672 -8.141 2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.739 -8.223 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.743 -7.295 5.466 1.00 0.00 H new ATOM 1651 N HIS A 113 12.956 -5.380 3.307 1.00 0.00 N ATOM 1652 CA HIS A 113 12.652 -4.058 2.647 1.00 0.00 C ATOM 1653 C HIS A 113 13.653 -3.678 1.528 1.00 0.00 C ATOM 1654 O HIS A 113 14.728 -4.242 1.452 1.00 0.00 O ATOM 1655 CB HIS A 113 12.663 -3.002 3.774 1.00 0.00 C ATOM 1656 CG HIS A 113 14.014 -3.035 4.506 1.00 0.00 C ATOM 1657 ND1 HIS A 113 15.159 -3.226 3.944 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.333 -2.874 5.842 1.00 0.00 C ATOM 1659 CE1 HIS A 113 16.106 -3.192 4.824 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.635 -2.974 6.022 1.00 0.00 N ATOM 0 H HIS A 113 13.951 -5.598 3.356 1.00 0.00 H new ATOM 0 HA HIS A 113 11.686 -4.118 2.145 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.489 -2.010 3.357 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.853 -3.199 4.477 1.00 0.00 H new ATOM 0 HD1 HIS A 113 15.298 -3.382 2.946 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.615 -2.692 6.628 1.00 0.00 H new ATOM 0 HE1 HIS A 113 17.153 -3.327 4.597 1.00 0.00 H new ATOM 1668 N LEU A 114 13.273 -2.725 0.718 1.00 0.00 N ATOM 1669 CA LEU A 114 14.111 -2.215 -0.432 1.00 0.00 C ATOM 1670 C LEU A 114 14.251 -0.661 -0.375 1.00 0.00 C ATOM 1671 O LEU A 114 13.616 -0.016 0.437 1.00 0.00 O ATOM 1672 CB LEU A 114 13.412 -2.705 -1.747 1.00 0.00 C ATOM 1673 CG LEU A 114 14.109 -2.222 -3.060 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.590 -2.658 -3.093 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.425 -2.927 -4.248 1.00 0.00 C ATOM 0 H LEU A 114 12.374 -2.252 0.805 1.00 0.00 H new ATOM 0 HA LEU A 114 15.129 -2.601 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.381 -3.795 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.379 -2.357 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 114 14.037 -1.136 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.051 -2.309 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 114 16.115 -2.228 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.650 -3.745 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.893 -2.607 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.531 -4.006 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.367 -2.666 -4.266 1.00 0.00 H new ATOM 1687 N ASN A 115 15.060 -0.072 -1.220 1.00 0.00 N ATOM 1688 CA ASN A 115 15.230 1.423 -1.206 1.00 0.00 C ATOM 1689 C ASN A 115 14.621 1.978 -2.516 1.00 0.00 C ATOM 1690 O ASN A 115 15.094 1.721 -3.607 1.00 0.00 O ATOM 1691 CB ASN A 115 16.742 1.663 -1.061 1.00 0.00 C ATOM 1692 CG ASN A 115 17.029 3.048 -0.497 1.00 0.00 C ATOM 1693 OD1 ASN A 115 17.761 3.192 0.452 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.511 4.113 -1.010 1.00 0.00 N ATOM 0 H ASN A 115 15.614 -0.560 -1.924 1.00 0.00 H new ATOM 0 HA ASN A 115 14.720 1.936 -0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 115 17.172 0.905 -0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 115 17.225 1.556 -2.033 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.726 5.027 -0.612 1.00 0.00 H new ATOM 0 HD22 ASN A 115 15.886 4.040 -1.813 1.00 0.00 H new ATOM 1701 N VAL A 116 13.565 2.734 -2.348 1.00 0.00 N ATOM 1702 CA VAL A 116 12.863 3.325 -3.539 1.00 0.00 C ATOM 1703 C VAL A 116 12.343 4.762 -3.272 1.00 0.00 C ATOM 1704 O VAL A 116 12.544 5.335 -2.213 1.00 0.00 O ATOM 1705 CB VAL A 116 11.638 2.371 -3.943 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.921 0.861 -3.675 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.365 2.705 -3.137 1.00 0.00 C ATOM 0 H VAL A 116 13.157 2.969 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 116 13.585 3.395 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 116 11.502 2.548 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 116 11.054 0.270 -3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.789 0.545 -4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.119 0.711 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.558 2.038 -3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.564 2.576 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 116 10.073 3.738 -3.329 1.00 0.00 H new ATOM 1717 N ASN A 117 11.690 5.297 -4.279 1.00 0.00 N ATOM 1718 CA ASN A 117 11.099 6.674 -4.178 1.00 0.00 C ATOM 1719 C ASN A 117 9.610 6.544 -4.541 1.00 0.00 C ATOM 1720 O ASN A 117 9.293 5.910 -5.537 1.00 0.00 O ATOM 1721 CB ASN A 117 11.736 7.645 -5.178 1.00 0.00 C ATOM 1722 CG ASN A 117 13.223 7.497 -5.106 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.866 7.807 -4.135 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.807 7.007 -6.145 1.00 0.00 N ATOM 0 H ASN A 117 11.540 4.834 -5.175 1.00 0.00 H new ATOM 0 HA ASN A 117 11.266 7.061 -3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.383 7.434 -6.187 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.446 8.670 -4.947 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.819 6.880 -6.149 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.257 6.747 -6.964 1.00 0.00 H new ATOM 1731 N TYR A 118 8.795 7.157 -3.714 1.00 0.00 N ATOM 1732 CA TYR A 118 7.329 7.128 -3.933 1.00 0.00 C ATOM 1733 C TYR A 118 6.756 8.557 -3.819 1.00 0.00 C ATOM 1734 O TYR A 118 6.866 9.296 -2.849 1.00 0.00 O ATOM 1735 CB TYR A 118 6.681 6.151 -2.897 1.00 0.00 C ATOM 1736 CG TYR A 118 6.475 6.638 -1.434 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.562 7.633 -1.124 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.188 6.068 -0.394 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.369 8.040 0.182 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.988 6.481 0.917 1.00 0.00 C ATOM 1741 CZ TYR A 118 6.080 7.465 1.208 1.00 0.00 C ATOM 1742 OH TYR A 118 5.876 7.882 2.505 1.00 0.00 O ATOM 0 H TYR A 118 9.095 7.679 -2.891 1.00 0.00 H new ATOM 0 HA TYR A 118 7.098 6.765 -4.934 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.707 5.856 -3.287 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.296 5.252 -2.862 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.993 8.097 -1.915 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.909 5.292 -0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.652 8.818 0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.554 6.022 1.715 1.00 0.00 H new ATOM 0 HH TYR A 118 6.457 7.373 3.108 1.00 0.00 H new ATOM 1752 N GLN A 119 6.152 8.914 -4.904 1.00 0.00 N ATOM 1753 CA GLN A 119 5.523 10.260 -5.007 1.00 0.00 C ATOM 1754 C GLN A 119 4.046 10.142 -5.433 1.00 0.00 C ATOM 1755 O GLN A 119 3.719 9.339 -6.291 1.00 0.00 O ATOM 1756 CB GLN A 119 6.307 11.109 -6.055 1.00 0.00 C ATOM 1757 CG GLN A 119 7.714 11.577 -5.545 1.00 0.00 C ATOM 1758 CD GLN A 119 8.722 10.431 -5.434 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.256 9.923 -6.397 1.00 0.00 O ATOM 1760 NE2 GLN A 119 9.009 9.995 -4.254 1.00 0.00 N ATOM 0 H GLN A 119 6.062 8.331 -5.736 1.00 0.00 H new ATOM 0 HA GLN A 119 5.560 10.744 -4.031 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.434 10.523 -6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.714 11.985 -6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 119 8.107 12.334 -6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.602 12.050 -4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.568 10.413 -3.435 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.677 9.233 -4.141 1.00 0.00 H new ATOM 1769 N PHE A 120 3.177 10.921 -4.839 1.00 0.00 N ATOM 1770 CA PHE A 120 1.736 10.851 -5.240 1.00 0.00 C ATOM 1771 C PHE A 120 1.740 11.551 -6.610 1.00 0.00 C ATOM 1772 O PHE A 120 2.285 12.627 -6.774 1.00 0.00 O ATOM 1773 CB PHE A 120 0.877 11.621 -4.222 1.00 0.00 C ATOM 1774 CG PHE A 120 0.521 10.731 -3.015 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.471 10.385 -2.071 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.774 10.266 -2.856 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.138 9.594 -0.990 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.105 9.473 -1.773 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.152 9.139 -0.840 1.00 0.00 C ATOM 0 H PHE A 120 3.397 11.593 -4.104 1.00 0.00 H new ATOM 0 HA PHE A 120 1.326 9.842 -5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.416 12.505 -3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.037 11.971 -4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.486 10.738 -2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.530 10.525 -3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.891 9.332 -0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.117 9.114 -1.659 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.415 8.522 0.007 1.00 0.00 H new ATOM 1789 N VAL A 121 1.122 10.885 -7.530 1.00 0.00 N ATOM 1790 CA VAL A 121 1.010 11.361 -8.936 1.00 0.00 C ATOM 1791 C VAL A 121 -0.434 11.248 -9.432 1.00 0.00 C ATOM 1792 O VAL A 121 -1.184 10.399 -8.992 1.00 0.00 O ATOM 1793 CB VAL A 121 2.009 10.470 -9.771 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.317 9.654 -10.896 1.00 0.00 C ATOM 1795 CG2 VAL A 121 3.083 11.326 -10.440 1.00 0.00 C ATOM 0 H VAL A 121 0.667 9.988 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 121 1.268 12.415 -9.036 1.00 0.00 H new ATOM 0 HB VAL A 121 2.440 9.782 -9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.063 9.065 -11.429 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.574 8.988 -10.458 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.828 10.336 -11.592 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.757 10.685 -11.008 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.611 12.043 -11.112 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.648 11.862 -9.678 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.811 12.112 -10.323 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.195 12.011 -10.824 1.00 0.00 C ATOM 1807 C ASP A 122 -2.113 11.070 -12.051 1.00 0.00 C ATOM 1808 O ASP A 122 -1.239 11.187 -12.896 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.694 13.397 -11.206 1.00 0.00 C ATOM 1810 CG ASP A 122 -4.199 13.262 -11.402 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.544 12.573 -12.346 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -4.899 13.846 -10.593 1.00 0.00 O ATOM 0 H ASP A 122 -0.240 12.861 -10.715 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.893 11.620 -10.083 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.466 14.123 -10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.212 13.748 -12.118 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.062 10.179 -12.075 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.226 9.145 -13.123 1.00 0.00 C ATOM 1819 C CYS A 123 -3.272 9.711 -14.521 1.00 0.00 C ATOM 1820 O CYS A 123 -2.817 9.045 -15.433 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.512 8.385 -12.826 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.673 7.705 -11.160 1.00 0.00 S ATOM 0 H CYS A 123 -3.780 10.129 -11.353 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.355 8.490 -13.096 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.354 9.054 -13.005 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.598 7.566 -13.540 1.00 0.00 H new ATOM 1827 N ARG A 124 -3.811 10.905 -14.564 1.00 0.00 N ATOM 1828 CA ARG A 124 -3.997 11.699 -15.823 1.00 0.00 C ATOM 1829 C ARG A 124 -4.433 10.778 -16.990 1.00 0.00 C ATOM 1830 O ARG A 124 -3.788 10.676 -18.012 1.00 0.00 O ATOM 1831 CB ARG A 124 -2.632 12.435 -16.106 1.00 0.00 C ATOM 1832 CG ARG A 124 -1.494 11.383 -16.207 1.00 0.00 C ATOM 1833 CD ARG A 124 -0.183 11.900 -16.713 1.00 0.00 C ATOM 1834 NE ARG A 124 0.336 12.929 -15.758 1.00 0.00 N ATOM 1835 CZ ARG A 124 1.067 13.869 -16.217 1.00 0.00 C ATOM 1836 NH1 ARG A 124 0.493 14.929 -16.614 1.00 0.00 N ATOM 1837 NH2 ARG A 124 2.324 13.677 -16.256 1.00 0.00 N ATOM 0 H ARG A 124 -4.148 11.387 -13.731 1.00 0.00 H new ATOM 0 HA ARG A 124 -4.793 12.437 -15.718 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.698 13.006 -17.032 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.416 13.146 -15.308 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -1.337 10.947 -15.220 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -1.825 10.577 -16.862 1.00 0.00 H new ATOM 0 HD2 ARG A 124 0.532 11.083 -16.811 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -0.307 12.335 -17.705 1.00 0.00 H new ATOM 0 HE ARG A 124 0.111 12.880 -14.764 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -0.522 15.010 -16.560 1.00 0.00 H new ATOM 0 HH12 ARG A 124 1.047 15.700 -16.987 1.00 0.00 H new ATOM 0 HH21 ARG A 124 2.716 12.795 -15.927 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.940 14.406 -16.616 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.542 10.128 -16.756 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.152 9.179 -17.747 1.00 0.00 C ATOM 1853 C ASP A 125 -6.455 9.855 -19.114 1.00 0.00 C ATOM 1854 O ASP A 125 -6.834 11.016 -19.092 1.00 0.00 O ATOM 1855 CB ASP A 125 -7.448 8.613 -17.058 1.00 0.00 C ATOM 1856 CG ASP A 125 -8.119 7.494 -17.854 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -7.391 6.551 -18.112 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -9.294 7.610 -18.152 1.00 0.00 O ATOM 1859 OXT ASP A 125 -6.291 9.164 -20.110 1.00 0.00 O ATOM 0 H ASP A 125 -6.072 10.216 -15.889 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.457 8.377 -17.995 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.190 8.240 -16.067 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.160 9.426 -16.917 1.00 0.00 H new