USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 993 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 31 TYR OH : rot 150:sc= 0.536 USER MOD Set 1.2: A 82 TYR OH : rot 32:sc= 1.3 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 163:sc= 1.25 (180deg=0) USER MOD Set 2.2: A 23 THR OG1 : rot 81:sc= 2.26 USER MOD Set 3.1: A 8 ASN :FLIP amide:sc= -0.124 F(o=-0.4,f=0.65) USER MOD Set 3.2: A 19 SER OG : rot 70:sc= 0.778 USER MOD Set 4.1: A 10 THR OG1 : rot 180:sc= 0.471 USER MOD Set 4.2: A 15 THR OG1 : rot 178:sc= 0.502 USER MOD Single : A 1 LYS N :NH3+ -164:sc= 1.3 (180deg=1.05) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0774 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 9 ASN : amide:sc= -0.549 K(o=-0.55,f=-3.6!) USER MOD Single : A 14 LYS NZ :NH3+ -121:sc= 0.354 (180deg=-0.773) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -0.0551 (180deg=-0.336) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -150:sc= -1.23 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.85 X(o=-1.8,f=-2.2) USER MOD Single : A 34 SER OG : rot 72:sc= 1.14 USER MOD Single : A 37 THR OG1 : rot 76:sc= 0.0749 USER MOD Single : A 41 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.041 X(o=-0.041,f=-0.047) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= 1.19 (180deg=0.826) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 1.97 (180deg=1.34) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -177:sc= -1.61 (180deg=-1.7) USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= -0.138 (180deg=-0.561) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 84 THR OG1 : rot 45:sc= 1.18 USER MOD Single : A 87 MET CE :methyl -153:sc= -0.296 (180deg=-1.89) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 169:sc= -8.55! (180deg=-9.46!) USER MOD Single : A 99 ASN : amide:sc= 0.331 K(o=0.33,f=-7.7!) USER MOD Single : A 102 TYR OH : rot 165:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 HIS : no HE2:sc= 1.23 K(o=1.2,f=-5.1!) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.00055) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.0309 X(o=-0.031,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -12.404 19.033 -14.114 1.00 0.00 N ATOM 2 CA LYS A 1 -11.928 19.557 -15.419 1.00 0.00 C ATOM 3 C LYS A 1 -10.506 19.085 -15.697 1.00 0.00 C ATOM 4 O LYS A 1 -10.289 18.178 -16.498 1.00 0.00 O ATOM 5 CB LYS A 1 -11.977 21.090 -15.448 1.00 0.00 C ATOM 6 CG LYS A 1 -13.372 21.668 -15.278 1.00 0.00 C ATOM 7 CD LYS A 1 -13.376 23.174 -15.474 1.00 0.00 C ATOM 8 CE LYS A 1 -14.763 23.758 -15.268 1.00 0.00 C ATOM 9 NZ LYS A 1 -14.793 25.216 -15.542 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.438 19.127 -14.059 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.142 18.030 -14.026 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.966 19.574 -13.342 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.592 19.172 -16.193 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.335 21.479 -14.657 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.563 21.438 -16.394 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.049 21.205 -15.995 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.748 21.428 -14.283 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.678 23.635 -14.775 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -13.025 23.412 -16.478 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -15.472 23.251 -15.922 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.086 23.574 -14.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -15.756 25.578 -15.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -14.135 25.703 -14.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.509 25.390 -16.527 1.00 0.00 H new ATOM 25 N SER A 2 -9.538 19.705 -15.040 1.00 0.00 N ATOM 26 CA SER A 2 -8.148 19.296 -15.167 1.00 0.00 C ATOM 27 C SER A 2 -7.860 18.134 -14.222 1.00 0.00 C ATOM 28 O SER A 2 -7.533 17.026 -14.650 1.00 0.00 O ATOM 29 CB SER A 2 -7.238 20.487 -14.865 1.00 0.00 C ATOM 30 OG SER A 2 -7.739 21.231 -13.764 1.00 0.00 O ATOM 0 H SER A 2 -9.690 20.495 -14.412 1.00 0.00 H new ATOM 0 HA SER A 2 -7.955 18.960 -16.186 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.230 20.135 -14.645 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.167 21.129 -15.743 1.00 0.00 H new ATOM 0 HG SER A 2 -7.144 21.988 -13.583 1.00 0.00 H new ATOM 36 N VAL A 3 -8.000 18.396 -12.935 1.00 0.00 N ATOM 37 CA VAL A 3 -7.861 17.365 -11.926 1.00 0.00 C ATOM 38 C VAL A 3 -9.234 16.848 -11.519 1.00 0.00 C ATOM 39 O VAL A 3 -10.252 17.339 -12.011 1.00 0.00 O ATOM 40 CB VAL A 3 -7.116 17.887 -10.678 1.00 0.00 C ATOM 41 CG1 VAL A 3 -5.672 18.219 -11.018 1.00 0.00 C ATOM 42 CG2 VAL A 3 -7.822 19.106 -10.097 1.00 0.00 C ATOM 0 H VAL A 3 -8.212 19.322 -12.563 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.273 16.555 -12.359 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.121 17.099 -9.925 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.163 18.585 -10.126 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.168 17.323 -11.381 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.648 18.987 -11.791 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.280 19.456 -9.219 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.853 19.899 -10.844 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.839 18.836 -9.812 1.00 0.00 H new ATOM 52 N GLN A 4 -9.247 15.849 -10.631 1.00 0.00 N ATOM 53 CA GLN A 4 -10.489 15.286 -10.092 1.00 0.00 C ATOM 54 C GLN A 4 -11.267 14.525 -11.163 1.00 0.00 C ATOM 55 O GLN A 4 -12.461 14.279 -11.018 1.00 0.00 O ATOM 56 CB GLN A 4 -11.358 16.392 -9.486 1.00 0.00 C ATOM 57 CG GLN A 4 -10.672 17.147 -8.361 1.00 0.00 C ATOM 58 CD GLN A 4 -11.424 18.394 -7.943 1.00 0.00 C ATOM 59 OE1 GLN A 4 -12.112 19.023 -8.750 1.00 0.00 O ATOM 60 NE2 GLN A 4 -11.288 18.766 -6.680 1.00 0.00 N ATOM 0 H GLN A 4 -8.401 15.410 -10.267 1.00 0.00 H new ATOM 0 HA GLN A 4 -10.221 14.578 -9.308 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.636 17.096 -10.270 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.282 15.953 -9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.565 16.487 -7.500 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.666 17.424 -8.677 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.709 18.216 -6.046 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.763 19.603 -6.341 1.00 0.00 H new ATOM 69 N GLU A 5 -10.574 14.120 -12.221 1.00 0.00 N ATOM 70 CA GLU A 5 -11.198 13.368 -13.306 1.00 0.00 C ATOM 71 C GLU A 5 -11.176 11.870 -13.005 1.00 0.00 C ATOM 72 O GLU A 5 -11.440 11.043 -13.879 1.00 0.00 O ATOM 73 CB GLU A 5 -10.468 13.647 -14.623 1.00 0.00 C ATOM 74 CG GLU A 5 -10.395 15.123 -14.984 1.00 0.00 C ATOM 75 CD GLU A 5 -11.756 15.757 -15.190 1.00 0.00 C ATOM 76 OE1 GLU A 5 -12.311 15.643 -16.302 1.00 0.00 O ATOM 77 OE2 GLU A 5 -12.271 16.394 -14.249 1.00 0.00 O ATOM 0 H GLU A 5 -9.578 14.300 -12.352 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.236 13.688 -13.396 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.456 13.248 -14.558 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.971 13.110 -15.427 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.869 15.658 -14.193 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.806 15.239 -15.894 1.00 0.00 H new ATOM 84 N LYS A 6 -10.871 11.534 -11.759 1.00 0.00 N ATOM 85 CA LYS A 6 -10.791 10.150 -11.321 1.00 0.00 C ATOM 86 C LYS A 6 -11.341 10.018 -9.909 1.00 0.00 C ATOM 87 O LYS A 6 -10.621 9.675 -8.971 1.00 0.00 O ATOM 88 CB LYS A 6 -9.348 9.638 -11.380 1.00 0.00 C ATOM 89 CG LYS A 6 -8.897 9.243 -12.775 1.00 0.00 C ATOM 90 CD LYS A 6 -7.436 8.826 -12.795 1.00 0.00 C ATOM 91 CE LYS A 6 -7.058 8.217 -14.134 1.00 0.00 C ATOM 92 NZ LYS A 6 -5.597 7.981 -14.250 1.00 0.00 N ATOM 0 H LYS A 6 -10.672 12.214 -11.025 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.393 9.541 -11.996 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.682 10.411 -10.998 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.250 8.777 -10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.515 8.422 -13.139 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.046 10.080 -13.457 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.805 9.692 -12.595 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.250 8.105 -11.999 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.588 7.274 -14.265 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.382 8.879 -14.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.413 7.318 -15.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.114 8.882 -14.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.239 7.577 -13.361 1.00 0.00 H new ATOM 106 N ARG A 7 -12.615 10.333 -9.764 1.00 0.00 N ATOM 107 CA ARG A 7 -13.287 10.235 -8.478 1.00 0.00 C ATOM 108 C ARG A 7 -13.856 8.836 -8.291 1.00 0.00 C ATOM 109 O ARG A 7 -14.754 8.416 -9.024 1.00 0.00 O ATOM 110 CB ARG A 7 -14.409 11.271 -8.387 1.00 0.00 C ATOM 111 CG ARG A 7 -13.982 12.659 -8.829 1.00 0.00 C ATOM 112 CD ARG A 7 -15.127 13.652 -8.758 1.00 0.00 C ATOM 113 NE ARG A 7 -14.827 14.879 -9.498 1.00 0.00 N ATOM 114 CZ ARG A 7 -15.233 16.093 -9.136 1.00 0.00 C ATOM 115 NH1 ARG A 7 -15.891 16.267 -7.998 1.00 0.00 N ATOM 116 NH2 ARG A 7 -14.968 17.137 -9.912 1.00 0.00 N ATOM 0 H ARG A 7 -13.210 10.661 -10.525 1.00 0.00 H new ATOM 0 HA ARG A 7 -12.561 10.431 -7.689 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.247 10.943 -9.002 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.767 11.319 -7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -13.162 13.004 -8.199 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -13.603 12.614 -9.850 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -16.030 13.195 -9.162 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -15.332 13.897 -7.716 1.00 0.00 H new ATOM 0 HE ARG A 7 -14.269 14.798 -10.348 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -16.088 15.468 -7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -16.200 17.200 -7.725 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -14.454 17.007 -10.784 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -15.278 18.069 -9.637 1.00 0.00 H new ATOM 130 N ASN A 8 -13.321 8.111 -7.324 1.00 0.00 N ATOM 131 CA ASN A 8 -13.789 6.762 -7.045 1.00 0.00 C ATOM 132 C ASN A 8 -15.005 6.801 -6.134 1.00 0.00 C ATOM 133 O ASN A 8 -15.139 7.704 -5.308 1.00 0.00 O ATOM 134 CB ASN A 8 -12.687 5.915 -6.402 1.00 0.00 C ATOM 135 CG ASN A 8 -11.496 5.689 -7.317 1.00 0.00 C ATOM 136 OD1 ASN A 8 -11.725 5.710 -8.624 1.00 0.00 O flip ATOM 137 ND2 ASN A 8 -10.374 5.498 -6.851 1.00 0.00 N flip ATOM 0 H ASN A 8 -12.564 8.431 -6.720 1.00 0.00 H new ATOM 0 HA ASN A 8 -14.066 6.303 -7.994 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.348 6.404 -5.489 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -13.102 4.950 -6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.236 5.489 -5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.581 5.349 -7.475 1.00 0.00 H new ATOM 144 N ASN A 9 -15.890 5.823 -6.305 1.00 0.00 N ATOM 145 CA ASN A 9 -17.102 5.716 -5.495 1.00 0.00 C ATOM 146 C ASN A 9 -16.742 5.564 -4.021 1.00 0.00 C ATOM 147 O ASN A 9 -17.070 6.417 -3.195 1.00 0.00 O ATOM 148 CB ASN A 9 -17.931 4.507 -5.961 1.00 0.00 C ATOM 149 CG ASN A 9 -19.283 4.378 -5.266 1.00 0.00 C ATOM 150 OD1 ASN A 9 -19.472 4.816 -4.131 1.00 0.00 O ATOM 151 ND2 ASN A 9 -20.231 3.751 -5.945 1.00 0.00 N ATOM 0 H ASN A 9 -15.790 5.087 -7.004 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.691 6.625 -5.618 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.092 4.583 -7.036 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.357 3.597 -5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -21.153 3.618 -5.529 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -20.039 3.401 -6.884 1.00 0.00 H new ATOM 158 N THR A 10 -16.054 4.480 -3.703 1.00 0.00 N ATOM 159 CA THR A 10 -15.697 4.184 -2.330 1.00 0.00 C ATOM 160 C THR A 10 -14.277 4.632 -2.021 1.00 0.00 C ATOM 161 O THR A 10 -13.361 4.421 -2.819 1.00 0.00 O ATOM 162 CB THR A 10 -15.835 2.677 -2.036 1.00 0.00 C ATOM 163 OG1 THR A 10 -15.242 1.906 -3.094 1.00 0.00 O ATOM 164 CG2 THR A 10 -17.298 2.290 -1.880 1.00 0.00 C ATOM 0 H THR A 10 -15.732 3.790 -4.381 1.00 0.00 H new ATOM 0 HA THR A 10 -16.387 4.736 -1.692 1.00 0.00 H new ATOM 0 HB THR A 10 -15.314 2.465 -1.102 1.00 0.00 H new ATOM 0 HG1 THR A 10 -15.335 0.951 -2.894 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.372 1.222 -1.673 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.737 2.851 -1.055 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.835 2.519 -2.800 1.00 0.00 H new ATOM 172 N ARG A 11 -14.095 5.251 -0.862 1.00 0.00 N ATOM 173 CA ARG A 11 -12.769 5.629 -0.404 1.00 0.00 C ATOM 174 C ARG A 11 -12.121 4.433 0.275 1.00 0.00 C ATOM 175 O ARG A 11 -11.816 4.459 1.465 1.00 0.00 O ATOM 176 CB ARG A 11 -12.829 6.825 0.553 1.00 0.00 C ATOM 177 CG ARG A 11 -13.442 8.072 -0.062 1.00 0.00 C ATOM 178 CD ARG A 11 -13.316 9.269 0.869 1.00 0.00 C ATOM 179 NE ARG A 11 -14.104 10.407 0.407 1.00 0.00 N ATOM 180 CZ ARG A 11 -15.156 10.895 1.063 1.00 0.00 C ATOM 181 NH1 ARG A 11 -15.541 10.352 2.212 1.00 0.00 N ATOM 182 NH2 ARG A 11 -15.825 11.928 0.571 1.00 0.00 N ATOM 0 H ARG A 11 -14.850 5.501 -0.224 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.171 5.932 -1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.406 6.545 1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.820 7.057 0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.950 8.292 -1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.494 7.891 -0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.641 8.985 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.268 9.560 0.945 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.834 10.855 -0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.031 9.557 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.347 10.730 2.710 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.535 12.350 -0.311 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.630 12.301 1.074 1.00 0.00 H new ATOM 196 N ALA A 12 -11.958 3.370 -0.492 1.00 0.00 N ATOM 197 CA ALA A 12 -11.361 2.145 0.003 1.00 0.00 C ATOM 198 C ALA A 12 -9.967 1.981 -0.559 1.00 0.00 C ATOM 199 O ALA A 12 -9.711 2.322 -1.715 1.00 0.00 O ATOM 200 CB ALA A 12 -12.227 0.945 -0.357 1.00 0.00 C ATOM 0 H ALA A 12 -12.235 3.333 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.294 2.204 1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.763 0.035 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.215 1.062 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.324 0.878 -1.441 1.00 0.00 H new ATOM 206 N PHE A 13 -9.070 1.460 0.264 1.00 0.00 N ATOM 207 CA PHE A 13 -7.686 1.258 -0.131 1.00 0.00 C ATOM 208 C PHE A 13 -7.610 0.408 -1.398 1.00 0.00 C ATOM 209 O PHE A 13 -6.766 0.642 -2.252 1.00 0.00 O ATOM 210 CB PHE A 13 -6.905 0.594 1.006 1.00 0.00 C ATOM 211 CG PHE A 13 -5.420 0.815 0.937 1.00 0.00 C ATOM 212 CD1 PHE A 13 -4.845 1.913 1.561 1.00 0.00 C ATOM 213 CD2 PHE A 13 -4.598 -0.071 0.262 1.00 0.00 C ATOM 214 CE1 PHE A 13 -3.482 2.122 1.510 1.00 0.00 C ATOM 215 CE2 PHE A 13 -3.232 0.133 0.207 1.00 0.00 C ATOM 216 CZ PHE A 13 -2.674 1.231 0.832 1.00 0.00 C ATOM 0 H PHE A 13 -9.280 1.167 1.218 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.238 2.229 -0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.275 0.975 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.104 -0.478 0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.472 2.613 2.093 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.029 -0.932 -0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.048 2.981 2.000 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.602 -0.565 -0.324 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.607 1.392 0.790 1.00 0.00 H new ATOM 226 N LYS A 14 -8.515 -0.561 -1.522 1.00 0.00 N ATOM 227 CA LYS A 14 -8.562 -1.422 -2.702 1.00 0.00 C ATOM 228 C LYS A 14 -8.868 -0.604 -3.951 1.00 0.00 C ATOM 229 O LYS A 14 -8.120 -0.629 -4.926 1.00 0.00 O ATOM 230 CB LYS A 14 -9.642 -2.494 -2.550 1.00 0.00 C ATOM 231 CG LYS A 14 -9.600 -3.235 -1.226 1.00 0.00 C ATOM 232 CD LYS A 14 -10.724 -4.257 -1.123 1.00 0.00 C ATOM 233 CE LYS A 14 -10.566 -5.389 -2.129 1.00 0.00 C ATOM 234 NZ LYS A 14 -9.422 -6.282 -1.802 1.00 0.00 N ATOM 0 H LYS A 14 -9.225 -0.769 -0.820 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.585 -1.896 -2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.620 -2.027 -2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.539 -3.215 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.639 -3.738 -1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.679 -2.522 -0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.746 -4.670 -0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.681 -3.760 -1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.484 -5.976 -2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.423 -4.969 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.749 -6.289 -2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.944 -5.935 -0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.772 -7.247 -1.636 1.00 0.00 H new ATOM 248 N THR A 15 -9.976 0.121 -3.894 1.00 0.00 N ATOM 249 CA THR A 15 -10.465 0.899 -5.021 1.00 0.00 C ATOM 250 C THR A 15 -9.446 1.954 -5.443 1.00 0.00 C ATOM 251 O THR A 15 -9.160 2.130 -6.630 1.00 0.00 O ATOM 252 CB THR A 15 -11.784 1.603 -4.648 1.00 0.00 C ATOM 253 OG1 THR A 15 -12.646 0.694 -3.953 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.500 2.132 -5.882 1.00 0.00 C ATOM 0 H THR A 15 -10.562 0.186 -3.062 1.00 0.00 H new ATOM 0 HA THR A 15 -10.631 0.212 -5.851 1.00 0.00 H new ATOM 0 HB THR A 15 -11.539 2.447 -4.003 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.466 1.160 -3.687 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.426 2.623 -5.583 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.859 2.849 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.728 1.304 -6.553 1.00 0.00 H new ATOM 262 N VAL A 16 -8.890 2.638 -4.456 1.00 0.00 N ATOM 263 CA VAL A 16 -7.988 3.747 -4.703 1.00 0.00 C ATOM 264 C VAL A 16 -6.615 3.267 -5.163 1.00 0.00 C ATOM 265 O VAL A 16 -6.034 3.834 -6.089 1.00 0.00 O ATOM 266 CB VAL A 16 -7.872 4.631 -3.449 1.00 0.00 C ATOM 267 CG1 VAL A 16 -6.843 5.734 -3.647 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.240 5.214 -3.129 1.00 0.00 C ATOM 0 H VAL A 16 -9.051 2.441 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.407 4.345 -5.513 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.532 4.022 -2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.783 6.342 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.869 5.290 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.139 6.361 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.169 5.843 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.586 5.813 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.946 4.405 -2.945 1.00 0.00 H new ATOM 278 N ALA A 17 -6.108 2.211 -4.539 1.00 0.00 N ATOM 279 CA ALA A 17 -4.839 1.628 -4.959 1.00 0.00 C ATOM 280 C ALA A 17 -4.961 1.056 -6.363 1.00 0.00 C ATOM 281 O ALA A 17 -3.989 1.017 -7.112 1.00 0.00 O ATOM 282 CB ALA A 17 -4.387 0.554 -3.987 1.00 0.00 C ATOM 0 H ALA A 17 -6.551 1.744 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.087 2.417 -4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.438 0.135 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.261 0.990 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.137 -0.236 -3.943 1.00 0.00 H new ATOM 288 N LYS A 18 -6.164 0.622 -6.715 1.00 0.00 N ATOM 289 CA LYS A 18 -6.436 0.116 -8.051 1.00 0.00 C ATOM 290 C LYS A 18 -6.392 1.248 -9.077 1.00 0.00 C ATOM 291 O LYS A 18 -5.843 1.088 -10.167 1.00 0.00 O ATOM 292 CB LYS A 18 -7.794 -0.585 -8.087 1.00 0.00 C ATOM 293 CG LYS A 18 -8.195 -1.057 -9.469 1.00 0.00 C ATOM 294 CD LYS A 18 -9.501 -1.828 -9.441 1.00 0.00 C ATOM 295 CE LYS A 18 -9.974 -2.140 -10.847 1.00 0.00 C ATOM 296 NZ LYS A 18 -10.358 -0.909 -11.582 1.00 0.00 N ATOM 0 H LYS A 18 -6.970 0.611 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.663 -0.608 -8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.770 -1.441 -7.412 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.556 0.097 -7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.294 -0.198 -10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.408 -1.689 -9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.369 -2.755 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.260 -1.247 -8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.183 -2.657 -11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.826 -2.818 -10.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.935 -1.164 -12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.907 -0.287 -10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.501 -0.412 -11.898 1.00 0.00 H new ATOM 310 N SER A 19 -6.964 2.390 -8.725 1.00 0.00 N ATOM 311 CA SER A 19 -6.923 3.558 -9.596 1.00 0.00 C ATOM 312 C SER A 19 -5.500 4.104 -9.683 1.00 0.00 C ATOM 313 O SER A 19 -5.077 4.616 -10.721 1.00 0.00 O ATOM 314 CB SER A 19 -7.883 4.630 -9.084 1.00 0.00 C ATOM 315 OG SER A 19 -9.196 4.107 -8.956 1.00 0.00 O ATOM 0 H SER A 19 -7.461 2.534 -7.846 1.00 0.00 H new ATOM 0 HA SER A 19 -7.238 3.263 -10.597 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.539 5.003 -8.119 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.889 5.477 -9.769 1.00 0.00 H new ATOM 0 HG SER A 19 -9.222 3.465 -8.216 1.00 0.00 H new ATOM 321 N TRP A 20 -4.767 3.982 -8.584 1.00 0.00 N ATOM 322 CA TRP A 20 -3.348 4.313 -8.552 1.00 0.00 C ATOM 323 C TRP A 20 -2.580 3.363 -9.472 1.00 0.00 C ATOM 324 O TRP A 20 -1.729 3.788 -10.252 1.00 0.00 O ATOM 325 CB TRP A 20 -2.843 4.211 -7.107 1.00 0.00 C ATOM 326 CG TRP A 20 -1.362 4.383 -6.946 1.00 0.00 C ATOM 327 CD1 TRP A 20 -0.671 5.558 -6.913 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.396 3.339 -6.777 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.669 5.309 -6.735 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.862 3.953 -6.648 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.474 1.944 -6.718 1.00 0.00 C ATOM 332 CZ2 TRP A 20 2.033 3.219 -6.468 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.687 1.217 -6.542 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.927 1.856 -6.415 1.00 0.00 C ATOM 0 H TRP A 20 -5.137 3.652 -7.693 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.190 5.332 -8.906 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.350 4.965 -6.505 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.128 3.239 -6.705 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.111 6.539 -7.012 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.401 6.017 -6.677 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.427 1.443 -6.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.991 3.709 -6.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.638 0.139 -6.502 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.817 1.261 -6.272 1.00 0.00 H new ATOM 345 N PHE A 21 -2.922 2.085 -9.381 1.00 0.00 N ATOM 346 CA PHE A 21 -2.332 1.033 -10.207 1.00 0.00 C ATOM 347 C PHE A 21 -2.614 1.280 -11.691 1.00 0.00 C ATOM 348 O PHE A 21 -1.810 0.949 -12.557 1.00 0.00 O ATOM 349 CB PHE A 21 -2.923 -0.312 -9.765 1.00 0.00 C ATOM 350 CG PHE A 21 -2.228 -1.529 -10.303 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.093 -2.020 -9.680 1.00 0.00 C ATOM 352 CD2 PHE A 21 -2.729 -2.200 -11.406 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.471 -3.160 -10.147 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.105 -3.337 -11.881 1.00 0.00 C ATOM 355 CZ PHE A 21 -0.976 -3.818 -11.251 1.00 0.00 C ATOM 0 H PHE A 21 -3.624 1.743 -8.725 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.250 1.028 -10.078 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.906 -0.357 -8.676 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.969 -0.348 -10.069 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.690 -1.506 -8.820 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.616 -1.831 -11.899 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.410 -3.537 -9.649 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.501 -3.849 -12.745 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.488 -4.708 -11.621 1.00 0.00 H new ATOM 365 N ALA A 22 -3.771 1.865 -11.972 1.00 0.00 N ATOM 366 CA ALA A 22 -4.168 2.169 -13.341 1.00 0.00 C ATOM 367 C ALA A 22 -3.501 3.448 -13.847 1.00 0.00 C ATOM 368 O ALA A 22 -3.359 3.654 -15.054 1.00 0.00 O ATOM 369 CB ALA A 22 -5.682 2.292 -13.428 1.00 0.00 C ATOM 0 H ALA A 22 -4.454 2.140 -11.266 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.837 1.349 -13.978 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.970 2.519 -14.454 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.142 1.352 -13.122 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.020 3.093 -12.770 1.00 0.00 H new ATOM 375 N THR A 23 -3.095 4.303 -12.922 1.00 0.00 N ATOM 376 CA THR A 23 -2.476 5.570 -13.280 1.00 0.00 C ATOM 377 C THR A 23 -0.957 5.428 -13.366 1.00 0.00 C ATOM 378 O THR A 23 -0.326 5.945 -14.289 1.00 0.00 O ATOM 379 CB THR A 23 -2.842 6.669 -12.261 1.00 0.00 C ATOM 380 OG1 THR A 23 -4.270 6.765 -12.145 1.00 0.00 O ATOM 381 CG2 THR A 23 -2.277 8.017 -12.679 1.00 0.00 C ATOM 0 H THR A 23 -3.183 4.143 -11.918 1.00 0.00 H new ATOM 0 HA THR A 23 -2.858 5.860 -14.259 1.00 0.00 H new ATOM 0 HB THR A 23 -2.408 6.397 -11.299 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.597 6.065 -11.542 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.552 8.771 -11.941 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.191 7.952 -12.744 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.683 8.296 -13.651 1.00 0.00 H new ATOM 389 N LYS A 24 -0.379 4.712 -12.414 1.00 0.00 N ATOM 390 CA LYS A 24 1.059 4.523 -12.376 1.00 0.00 C ATOM 391 C LYS A 24 1.449 3.176 -12.962 1.00 0.00 C ATOM 392 O LYS A 24 1.123 2.125 -12.416 1.00 0.00 O ATOM 393 CB LYS A 24 1.587 4.644 -10.948 1.00 0.00 C ATOM 394 CG LYS A 24 3.057 4.280 -10.823 1.00 0.00 C ATOM 395 CD LYS A 24 3.598 4.596 -9.445 1.00 0.00 C ATOM 396 CE LYS A 24 5.036 4.125 -9.304 1.00 0.00 C ATOM 397 NZ LYS A 24 5.660 4.597 -8.041 1.00 0.00 N ATOM 0 H LYS A 24 -0.886 4.253 -11.658 1.00 0.00 H new ATOM 0 HA LYS A 24 1.510 5.308 -12.983 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.441 5.666 -10.598 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.002 3.997 -10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.188 3.218 -11.030 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.631 4.824 -11.573 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.544 5.670 -9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.978 4.116 -8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.065 3.036 -9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.619 4.485 -10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.640 4.252 -7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.657 5.637 -8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.120 4.233 -7.230 1.00 0.00 H new ATOM 411 N THR A 25 2.162 3.225 -14.071 1.00 0.00 N ATOM 412 CA THR A 25 2.642 2.027 -14.735 1.00 0.00 C ATOM 413 C THR A 25 4.160 2.069 -14.863 1.00 0.00 C ATOM 414 O THR A 25 4.734 1.587 -15.844 1.00 0.00 O ATOM 415 CB THR A 25 1.995 1.877 -16.127 1.00 0.00 C ATOM 416 OG1 THR A 25 1.850 3.168 -16.747 1.00 0.00 O ATOM 417 CG2 THR A 25 0.636 1.198 -16.023 1.00 0.00 C ATOM 0 H THR A 25 2.425 4.094 -14.536 1.00 0.00 H new ATOM 0 HA THR A 25 2.361 1.164 -14.131 1.00 0.00 H new ATOM 0 HB THR A 25 2.646 1.254 -16.740 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.440 3.062 -17.631 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.199 1.103 -17.017 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.757 0.208 -15.584 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.022 1.796 -15.393 1.00 0.00 H new ATOM 425 N THR A 26 4.804 2.645 -13.850 1.00 0.00 N ATOM 426 CA THR A 26 6.252 2.814 -13.838 1.00 0.00 C ATOM 427 C THR A 26 6.971 1.466 -13.851 1.00 0.00 C ATOM 428 O THR A 26 7.985 1.298 -14.531 1.00 0.00 O ATOM 429 CB THR A 26 6.695 3.604 -12.592 1.00 0.00 C ATOM 430 OG1 THR A 26 5.832 4.733 -12.396 1.00 0.00 O ATOM 431 CG2 THR A 26 8.132 4.085 -12.731 1.00 0.00 C ATOM 0 H THR A 26 4.337 3.006 -13.018 1.00 0.00 H new ATOM 0 HA THR A 26 6.519 3.366 -14.739 1.00 0.00 H new ATOM 0 HB THR A 26 6.633 2.938 -11.731 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.333 5.456 -11.964 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.418 4.640 -11.837 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.793 3.227 -12.853 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.216 4.734 -13.603 1.00 0.00 H new ATOM 439 N TRP A 27 6.439 0.511 -13.104 1.00 0.00 N ATOM 440 CA TRP A 27 7.048 -0.806 -13.015 1.00 0.00 C ATOM 441 C TRP A 27 6.566 -1.690 -14.155 1.00 0.00 C ATOM 442 O TRP A 27 5.432 -1.549 -14.623 1.00 0.00 O ATOM 443 CB TRP A 27 6.727 -1.465 -11.671 1.00 0.00 C ATOM 444 CG TRP A 27 7.333 -0.763 -10.493 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.659 -0.526 -10.280 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.642 -0.229 -9.355 1.00 0.00 C ATOM 447 NE1 TRP A 27 8.836 0.127 -9.085 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.614 0.319 -8.498 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.298 -0.160 -8.977 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.285 0.928 -7.290 1.00 0.00 C ATOM 451 CZ3 TRP A 27 4.972 0.444 -7.778 1.00 0.00 C ATOM 452 CH2 TRP A 27 5.962 0.981 -6.946 1.00 0.00 C ATOM 0 H TRP A 27 5.589 0.623 -12.552 1.00 0.00 H new ATOM 0 HA TRP A 27 8.129 -0.685 -13.092 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.645 -1.501 -11.544 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.080 -2.496 -11.689 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.454 -0.810 -10.953 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.732 0.421 -8.698 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.527 -0.572 -9.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.047 1.344 -6.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.936 0.503 -7.477 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.675 1.446 -6.014 1.00 0.00 H new ATOM 463 N SER A 28 7.428 -2.592 -14.604 1.00 0.00 N ATOM 464 CA SER A 28 7.072 -3.524 -15.661 1.00 0.00 C ATOM 465 C SER A 28 6.042 -4.522 -15.144 1.00 0.00 C ATOM 466 O SER A 28 6.000 -4.801 -13.945 1.00 0.00 O ATOM 467 CB SER A 28 8.322 -4.244 -16.167 1.00 0.00 C ATOM 468 OG SER A 28 9.319 -3.313 -16.559 1.00 0.00 O ATOM 0 H SER A 28 8.379 -2.697 -14.251 1.00 0.00 H new ATOM 0 HA SER A 28 6.633 -2.975 -16.494 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.714 -4.894 -15.385 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.062 -4.882 -17.012 1.00 0.00 H new ATOM 0 HG SER A 28 10.110 -3.796 -16.878 1.00 0.00 H new ATOM 474 N GLU A 29 5.226 -5.054 -16.055 1.00 0.00 N ATOM 475 CA GLU A 29 4.087 -5.914 -15.705 1.00 0.00 C ATOM 476 C GLU A 29 4.435 -6.979 -14.663 1.00 0.00 C ATOM 477 O GLU A 29 3.644 -7.242 -13.762 1.00 0.00 O ATOM 478 CB GLU A 29 3.532 -6.586 -16.961 1.00 0.00 C ATOM 479 CG GLU A 29 2.982 -5.603 -17.979 1.00 0.00 C ATOM 480 CD GLU A 29 2.552 -6.274 -19.266 1.00 0.00 C ATOM 481 OE1 GLU A 29 3.428 -6.591 -20.094 1.00 0.00 O ATOM 482 OE2 GLU A 29 1.335 -6.475 -19.466 1.00 0.00 O ATOM 0 H GLU A 29 5.333 -4.903 -17.058 1.00 0.00 H new ATOM 0 HA GLU A 29 3.333 -5.265 -15.259 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.321 -7.176 -17.427 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.742 -7.280 -16.674 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.131 -5.077 -17.547 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.741 -4.853 -18.201 1.00 0.00 H new ATOM 489 N ASP A 30 5.614 -7.574 -14.784 1.00 0.00 N ATOM 490 CA ASP A 30 6.044 -8.625 -13.862 1.00 0.00 C ATOM 491 C ASP A 30 6.103 -8.119 -12.419 1.00 0.00 C ATOM 492 O ASP A 30 5.410 -8.635 -11.538 1.00 0.00 O ATOM 493 CB ASP A 30 7.407 -9.171 -14.284 1.00 0.00 C ATOM 494 CG ASP A 30 7.932 -10.220 -13.325 1.00 0.00 C ATOM 495 OD1 ASP A 30 7.281 -11.272 -13.175 1.00 0.00 O ATOM 496 OD2 ASP A 30 9.001 -9.997 -12.718 1.00 0.00 O ATOM 0 H ASP A 30 6.293 -7.349 -15.511 1.00 0.00 H new ATOM 0 HA ASP A 30 5.306 -9.426 -13.904 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.329 -9.602 -15.282 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.121 -8.350 -14.346 1.00 0.00 H new ATOM 501 N TYR A 31 6.915 -7.097 -12.180 1.00 0.00 N ATOM 502 CA TYR A 31 7.063 -6.543 -10.840 1.00 0.00 C ATOM 503 C TYR A 31 5.807 -5.777 -10.442 1.00 0.00 C ATOM 504 O TYR A 31 5.411 -5.782 -9.279 1.00 0.00 O ATOM 505 CB TYR A 31 8.288 -5.626 -10.769 1.00 0.00 C ATOM 506 CG TYR A 31 8.633 -5.158 -9.369 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.234 -6.018 -8.458 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.362 -3.858 -8.960 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.554 -5.597 -7.180 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.680 -3.428 -7.684 1.00 0.00 C ATOM 511 CZ TYR A 31 9.276 -4.301 -6.799 1.00 0.00 C ATOM 512 OH TYR A 31 9.594 -3.876 -5.526 1.00 0.00 O ATOM 0 H TYR A 31 7.479 -6.636 -12.894 1.00 0.00 H new ATOM 0 HA TYR A 31 7.207 -7.367 -10.141 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.147 -6.152 -11.186 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.112 -4.754 -11.399 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.455 -7.033 -8.753 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.895 -3.171 -9.650 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.019 -6.280 -6.484 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.462 -2.414 -7.383 1.00 0.00 H new ATOM 0 HH TYR A 31 9.794 -2.917 -5.542 1.00 0.00 H new ATOM 522 N GLN A 32 5.175 -5.137 -11.421 1.00 0.00 N ATOM 523 CA GLN A 32 3.963 -4.362 -11.182 1.00 0.00 C ATOM 524 C GLN A 32 2.849 -5.266 -10.659 1.00 0.00 C ATOM 525 O GLN A 32 2.140 -4.908 -9.716 1.00 0.00 O ATOM 526 CB GLN A 32 3.522 -3.655 -12.468 1.00 0.00 C ATOM 527 CG GLN A 32 2.459 -2.585 -12.259 1.00 0.00 C ATOM 528 CD GLN A 32 2.902 -1.504 -11.290 1.00 0.00 C ATOM 529 OE1 GLN A 32 3.514 -0.510 -11.682 1.00 0.00 O ATOM 530 NE2 GLN A 32 2.592 -1.688 -10.015 1.00 0.00 N ATOM 0 H GLN A 32 5.485 -5.140 -12.393 1.00 0.00 H new ATOM 0 HA GLN A 32 4.176 -3.605 -10.427 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.394 -3.198 -12.936 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.140 -4.400 -13.166 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.214 -2.130 -13.218 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.548 -3.052 -11.885 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.084 -2.525 -9.729 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.861 -0.993 -9.319 1.00 0.00 H new ATOM 539 N ARG A 33 2.711 -6.443 -11.266 1.00 0.00 N ATOM 540 CA ARG A 33 1.751 -7.441 -10.802 1.00 0.00 C ATOM 541 C ARG A 33 2.120 -7.902 -9.399 1.00 0.00 C ATOM 542 O ARG A 33 1.258 -8.051 -8.535 1.00 0.00 O ATOM 543 CB ARG A 33 1.725 -8.646 -11.745 1.00 0.00 C ATOM 544 CG ARG A 33 0.698 -9.700 -11.358 1.00 0.00 C ATOM 545 CD ARG A 33 0.909 -10.993 -12.129 1.00 0.00 C ATOM 546 NE ARG A 33 0.859 -10.792 -13.576 1.00 0.00 N ATOM 547 CZ ARG A 33 1.502 -11.560 -14.459 1.00 0.00 C ATOM 548 NH1 ARG A 33 2.234 -12.589 -14.042 1.00 0.00 N ATOM 549 NH2 ARG A 33 1.392 -11.315 -15.758 1.00 0.00 N ATOM 0 H ARG A 33 3.253 -6.729 -12.081 1.00 0.00 H new ATOM 0 HA ARG A 33 0.761 -6.985 -10.788 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.515 -8.300 -12.757 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.714 -9.104 -11.763 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.764 -9.898 -10.288 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.305 -9.320 -11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.874 -11.422 -11.857 1.00 0.00 H new ATOM 0 HD3 ARG A 33 0.146 -11.715 -11.838 1.00 0.00 H new ATOM 0 HE ARG A 33 0.299 -10.018 -13.933 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.305 -12.793 -13.045 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.724 -13.174 -14.719 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.816 -10.539 -16.084 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.884 -11.903 -16.431 1.00 0.00 H new ATOM 563 N SER A 34 3.416 -8.114 -9.184 1.00 0.00 N ATOM 564 CA SER A 34 3.923 -8.540 -7.888 1.00 0.00 C ATOM 565 C SER A 34 3.556 -7.521 -6.807 1.00 0.00 C ATOM 566 O SER A 34 3.213 -7.890 -5.685 1.00 0.00 O ATOM 567 CB SER A 34 5.441 -8.731 -7.955 1.00 0.00 C ATOM 568 OG SER A 34 5.794 -9.654 -8.977 1.00 0.00 O ATOM 0 H SER A 34 4.136 -7.996 -9.897 1.00 0.00 H new ATOM 0 HA SER A 34 3.462 -9.493 -7.628 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.924 -7.772 -8.144 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.809 -9.089 -6.994 1.00 0.00 H new ATOM 0 HG SER A 34 5.653 -9.240 -9.854 1.00 0.00 H new ATOM 574 N VAL A 35 3.618 -6.240 -7.160 1.00 0.00 N ATOM 575 CA VAL A 35 3.187 -5.172 -6.264 1.00 0.00 C ATOM 576 C VAL A 35 1.722 -5.359 -5.888 1.00 0.00 C ATOM 577 O VAL A 35 1.375 -5.397 -4.707 1.00 0.00 O ATOM 578 CB VAL A 35 3.373 -3.778 -6.911 1.00 0.00 C ATOM 579 CG1 VAL A 35 2.847 -2.676 -6.001 1.00 0.00 C ATOM 580 CG2 VAL A 35 4.836 -3.535 -7.247 1.00 0.00 C ATOM 0 H VAL A 35 3.964 -5.916 -8.063 1.00 0.00 H new ATOM 0 HA VAL A 35 3.808 -5.224 -5.370 1.00 0.00 H new ATOM 0 HB VAL A 35 2.795 -3.758 -7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.991 -1.708 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.785 -2.834 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.388 -2.696 -5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.946 -2.550 -7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.432 -3.583 -6.335 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.180 -4.297 -7.946 1.00 0.00 H new ATOM 590 N TRP A 36 0.879 -5.507 -6.905 1.00 0.00 N ATOM 591 CA TRP A 36 -0.559 -5.662 -6.717 1.00 0.00 C ATOM 592 C TRP A 36 -0.880 -6.877 -5.847 1.00 0.00 C ATOM 593 O TRP A 36 -1.611 -6.770 -4.861 1.00 0.00 O ATOM 594 CB TRP A 36 -1.244 -5.785 -8.084 1.00 0.00 C ATOM 595 CG TRP A 36 -2.719 -6.039 -8.012 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.358 -7.196 -8.344 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.738 -5.124 -7.590 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.710 -7.063 -8.147 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.970 -5.800 -7.687 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.730 -3.800 -7.140 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -6.178 -5.199 -7.347 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.931 -3.205 -6.805 1.00 0.00 C ATOM 603 CH2 TRP A 36 -6.141 -3.904 -6.911 1.00 0.00 C ATOM 0 H TRP A 36 1.173 -5.523 -7.882 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.937 -4.780 -6.200 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.072 -4.868 -8.648 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.774 -6.595 -8.642 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.871 -8.088 -8.709 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.408 -7.788 -8.316 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.803 -3.253 -7.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.112 -5.736 -7.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.937 -2.183 -6.455 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.063 -3.410 -6.643 1.00 0.00 H new ATOM 614 N THR A 37 -0.317 -8.025 -6.206 1.00 0.00 N ATOM 615 CA THR A 37 -0.565 -9.261 -5.477 1.00 0.00 C ATOM 616 C THR A 37 -0.109 -9.158 -4.017 1.00 0.00 C ATOM 617 O THR A 37 -0.817 -9.600 -3.108 1.00 0.00 O ATOM 618 CB THR A 37 0.130 -10.451 -6.167 1.00 0.00 C ATOM 619 OG1 THR A 37 -0.364 -10.582 -7.507 1.00 0.00 O ATOM 620 CG2 THR A 37 -0.107 -11.750 -5.409 1.00 0.00 C ATOM 0 H THR A 37 0.316 -8.124 -7.000 1.00 0.00 H new ATOM 0 HA THR A 37 -1.642 -9.430 -5.482 1.00 0.00 H new ATOM 0 HB THR A 37 1.202 -10.257 -6.180 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.036 -9.889 -8.072 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.397 -12.568 -5.923 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.289 -11.658 -4.397 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.177 -11.954 -5.363 1.00 0.00 H new ATOM 628 N ARG A 38 1.054 -8.557 -3.786 1.00 0.00 N ATOM 629 CA ARG A 38 1.563 -8.415 -2.427 1.00 0.00 C ATOM 630 C ARG A 38 0.712 -7.436 -1.626 1.00 0.00 C ATOM 631 O ARG A 38 0.453 -7.659 -0.446 1.00 0.00 O ATOM 632 CB ARG A 38 3.036 -7.995 -2.418 1.00 0.00 C ATOM 633 CG ARG A 38 3.962 -9.079 -2.946 1.00 0.00 C ATOM 634 CD ARG A 38 5.405 -8.852 -2.523 1.00 0.00 C ATOM 635 NE ARG A 38 5.983 -7.628 -3.084 1.00 0.00 N ATOM 636 CZ ARG A 38 7.295 -7.371 -3.095 1.00 0.00 C ATOM 637 NH1 ARG A 38 8.150 -8.262 -2.613 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.758 -6.230 -3.592 1.00 0.00 N ATOM 0 H ARG A 38 1.655 -8.165 -4.512 1.00 0.00 H new ATOM 0 HA ARG A 38 1.498 -9.392 -1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.156 -7.095 -3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.329 -7.737 -1.400 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.627 -10.051 -2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.903 -9.107 -4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.455 -8.805 -1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.007 -9.706 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 38 5.351 -6.936 -3.487 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.807 -9.144 -2.233 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.151 -8.065 -2.622 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.111 -5.539 -3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.761 -6.045 -3.595 1.00 0.00 H new ATOM 652 N LEU A 39 0.256 -6.370 -2.273 1.00 0.00 N ATOM 653 CA LEU A 39 -0.665 -5.434 -1.637 1.00 0.00 C ATOM 654 C LEU A 39 -1.939 -6.159 -1.220 1.00 0.00 C ATOM 655 O LEU A 39 -2.384 -6.048 -0.075 1.00 0.00 O ATOM 656 CB LEU A 39 -1.013 -4.283 -2.585 1.00 0.00 C ATOM 657 CG LEU A 39 0.118 -3.290 -2.862 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.325 -2.256 -3.886 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.557 -2.605 -1.575 1.00 0.00 C ATOM 0 H LEU A 39 0.507 -6.132 -3.233 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.177 -5.021 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.343 -4.705 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.859 -3.736 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 39 0.968 -3.840 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.490 -1.557 -4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.594 -2.757 -4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.189 -1.713 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.362 -1.903 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.287 -2.067 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.911 -3.354 -0.867 1.00 0.00 H new ATOM 671 N GLU A 40 -2.492 -6.925 -2.155 1.00 0.00 N ATOM 672 CA GLU A 40 -3.717 -7.691 -1.934 1.00 0.00 C ATOM 673 C GLU A 40 -3.544 -8.773 -0.867 1.00 0.00 C ATOM 674 O GLU A 40 -4.527 -9.249 -0.299 1.00 0.00 O ATOM 675 CB GLU A 40 -4.160 -8.330 -3.250 1.00 0.00 C ATOM 676 CG GLU A 40 -5.141 -7.489 -4.049 1.00 0.00 C ATOM 677 CD GLU A 40 -6.582 -7.780 -3.678 1.00 0.00 C ATOM 678 OE1 GLU A 40 -7.059 -7.266 -2.644 1.00 0.00 O ATOM 679 OE2 GLU A 40 -7.241 -8.542 -4.415 1.00 0.00 O ATOM 0 H GLU A 40 -2.103 -7.033 -3.092 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.478 -6.999 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.279 -8.522 -3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.616 -9.297 -3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.931 -6.433 -3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.996 -7.678 -5.113 1.00 0.00 H new ATOM 686 N THR A 41 -2.305 -9.164 -0.601 1.00 0.00 N ATOM 687 CA THR A 41 -2.033 -10.215 0.371 1.00 0.00 C ATOM 688 C THR A 41 -1.697 -9.645 1.755 1.00 0.00 C ATOM 689 O THR A 41 -2.082 -10.210 2.781 1.00 0.00 O ATOM 690 CB THR A 41 -0.879 -11.122 -0.107 1.00 0.00 C ATOM 691 OG1 THR A 41 -1.192 -11.669 -1.396 1.00 0.00 O ATOM 692 CG2 THR A 41 -0.623 -12.256 0.878 1.00 0.00 C ATOM 0 H THR A 41 -1.474 -8.771 -1.043 1.00 0.00 H new ATOM 0 HA THR A 41 -2.945 -10.806 0.458 1.00 0.00 H new ATOM 0 HB THR A 41 0.023 -10.514 -0.172 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.021 -10.996 -2.087 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.195 -12.877 0.513 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.358 -11.841 1.850 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.523 -12.863 0.976 1.00 0.00 H new ATOM 700 N TYR A 42 -0.995 -8.521 1.790 1.00 0.00 N ATOM 701 CA TYR A 42 -0.527 -7.971 3.058 1.00 0.00 C ATOM 702 C TYR A 42 -1.464 -6.891 3.593 1.00 0.00 C ATOM 703 O TYR A 42 -2.049 -7.047 4.663 1.00 0.00 O ATOM 704 CB TYR A 42 0.891 -7.408 2.909 1.00 0.00 C ATOM 705 CG TYR A 42 1.904 -8.420 2.413 1.00 0.00 C ATOM 706 CD1 TYR A 42 1.888 -9.735 2.869 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.875 -8.060 1.487 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.811 -10.658 2.415 1.00 0.00 C ATOM 709 CE2 TYR A 42 3.801 -8.978 1.031 1.00 0.00 C ATOM 710 CZ TYR A 42 3.764 -10.275 1.496 1.00 0.00 C ATOM 711 OH TYR A 42 4.686 -11.190 1.039 1.00 0.00 O ATOM 0 H TYR A 42 -0.738 -7.976 0.967 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.516 -8.788 3.779 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.866 -6.565 2.218 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.221 -7.021 3.873 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.143 -10.039 3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.906 -7.046 1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.786 -11.675 2.779 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.551 -8.681 0.313 1.00 0.00 H new ATOM 0 HH TYR A 42 5.285 -10.757 0.395 1.00 0.00 H new ATOM 721 N LEU A 43 -1.622 -5.816 2.833 1.00 0.00 N ATOM 722 CA LEU A 43 -2.343 -4.635 3.306 1.00 0.00 C ATOM 723 C LEU A 43 -3.847 -4.737 3.062 1.00 0.00 C ATOM 724 O LEU A 43 -4.648 -4.565 3.981 1.00 0.00 O ATOM 725 CB LEU A 43 -1.792 -3.384 2.621 1.00 0.00 C ATOM 726 CG LEU A 43 -0.752 -2.592 3.422 1.00 0.00 C ATOM 727 CD1 LEU A 43 0.429 -3.472 3.797 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.285 -1.378 2.631 1.00 0.00 C ATOM 0 H LEU A 43 -1.260 -5.734 1.883 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.191 -4.570 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.345 -3.679 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.626 -2.722 2.389 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.222 -2.247 4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.153 -2.887 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.082 -4.308 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.901 -3.853 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.453 -0.826 3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.164 -1.705 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.137 -0.732 2.419 1.00 0.00 H new ATOM 740 N PHE A 44 -4.217 -5.030 1.820 1.00 0.00 N ATOM 741 CA PHE A 44 -5.623 -5.059 1.399 1.00 0.00 C ATOM 742 C PHE A 44 -6.537 -5.900 2.311 1.00 0.00 C ATOM 743 O PHE A 44 -7.662 -5.489 2.581 1.00 0.00 O ATOM 744 CB PHE A 44 -5.742 -5.561 -0.039 1.00 0.00 C ATOM 745 CG PHE A 44 -5.368 -4.543 -1.084 1.00 0.00 C ATOM 746 CD1 PHE A 44 -4.327 -3.651 -0.878 1.00 0.00 C ATOM 747 CD2 PHE A 44 -6.061 -4.486 -2.281 1.00 0.00 C ATOM 748 CE1 PHE A 44 -3.989 -2.726 -1.845 1.00 0.00 C ATOM 749 CE2 PHE A 44 -5.726 -3.565 -3.250 1.00 0.00 C ATOM 750 CZ PHE A 44 -4.688 -2.685 -3.034 1.00 0.00 C ATOM 0 H PHE A 44 -3.557 -5.254 1.075 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.969 -4.028 1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.106 -6.438 -0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.768 -5.885 -0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.774 -3.680 0.049 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.875 -5.173 -2.458 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.178 -2.035 -1.671 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.277 -3.533 -4.178 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.422 -1.965 -3.794 1.00 0.00 H new ATOM 760 N PRO A 45 -6.108 -7.088 2.789 1.00 0.00 N ATOM 761 CA PRO A 45 -6.951 -7.930 3.651 1.00 0.00 C ATOM 762 C PRO A 45 -7.378 -7.232 4.941 1.00 0.00 C ATOM 763 O PRO A 45 -8.359 -7.624 5.571 1.00 0.00 O ATOM 764 CB PRO A 45 -6.058 -9.130 3.979 1.00 0.00 C ATOM 765 CG PRO A 45 -5.046 -9.158 2.891 1.00 0.00 C ATOM 766 CD PRO A 45 -4.807 -7.724 2.523 1.00 0.00 C ATOM 0 HA PRO A 45 -7.883 -8.191 3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.586 -9.017 4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.633 -10.055 4.008 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.125 -9.635 3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.407 -9.727 2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.012 -7.281 3.123 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.514 -7.620 1.478 1.00 0.00 H new ATOM 774 N ASP A 46 -6.653 -6.192 5.328 1.00 0.00 N ATOM 775 CA ASP A 46 -6.915 -5.517 6.591 1.00 0.00 C ATOM 776 C ASP A 46 -7.503 -4.123 6.384 1.00 0.00 C ATOM 777 O ASP A 46 -8.407 -3.710 7.113 1.00 0.00 O ATOM 778 CB ASP A 46 -5.634 -5.435 7.423 1.00 0.00 C ATOM 779 CG ASP A 46 -5.148 -6.804 7.856 1.00 0.00 C ATOM 780 OD1 ASP A 46 -5.771 -7.403 8.759 1.00 0.00 O ATOM 781 OD2 ASP A 46 -4.164 -7.305 7.275 1.00 0.00 O ATOM 0 H ASP A 46 -5.882 -5.799 4.788 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.657 -6.107 7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.855 -4.941 6.842 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.813 -4.819 8.304 1.00 0.00 H new ATOM 786 N ILE A 47 -7.003 -3.403 5.391 1.00 0.00 N ATOM 787 CA ILE A 47 -7.433 -2.023 5.160 1.00 0.00 C ATOM 788 C ILE A 47 -8.270 -1.898 3.892 1.00 0.00 C ATOM 789 O ILE A 47 -8.620 -0.797 3.471 1.00 0.00 O ATOM 790 CB ILE A 47 -6.221 -1.075 5.054 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.237 -1.598 4.004 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.546 -0.916 6.407 1.00 0.00 C ATOM 793 CD1 ILE A 47 -3.934 -0.837 3.940 1.00 0.00 C ATOM 0 H ILE A 47 -6.303 -3.745 4.733 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.045 -1.739 6.016 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.569 -0.091 4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.022 -2.646 4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.715 -1.561 3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.693 -0.244 6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.257 -0.501 7.122 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.203 -1.889 6.759 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.296 -1.272 3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.134 0.207 3.697 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.431 -0.895 4.905 1.00 0.00 H new ATOM 805 N GLY A 48 -8.599 -3.025 3.289 1.00 0.00 N ATOM 806 CA GLY A 48 -9.349 -3.000 2.053 1.00 0.00 C ATOM 807 C GLY A 48 -10.844 -3.009 2.272 1.00 0.00 C ATOM 808 O GLY A 48 -11.596 -2.421 1.495 1.00 0.00 O ATOM 0 H GLY A 48 -8.362 -3.956 3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.075 -2.110 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.070 -3.862 1.447 1.00 0.00 H new ATOM 812 N ASN A 49 -11.280 -3.676 3.330 1.00 0.00 N ATOM 813 CA ASN A 49 -12.703 -3.766 3.638 1.00 0.00 C ATOM 814 C ASN A 49 -13.106 -2.649 4.591 1.00 0.00 C ATOM 815 O ASN A 49 -14.258 -2.558 5.015 1.00 0.00 O ATOM 816 CB ASN A 49 -13.036 -5.130 4.252 1.00 0.00 C ATOM 817 CG ASN A 49 -12.463 -5.310 5.647 1.00 0.00 C ATOM 818 OD1 ASN A 49 -11.311 -5.711 5.811 1.00 0.00 O ATOM 819 ND2 ASN A 49 -13.272 -5.037 6.659 1.00 0.00 N ATOM 0 H ASN A 49 -10.672 -4.162 3.989 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.265 -3.658 2.710 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.119 -5.249 4.292 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.652 -5.917 3.603 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.947 -5.157 7.618 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.220 -4.707 6.479 1.00 0.00 H new ATOM 826 N LYS A 50 -12.147 -1.803 4.918 1.00 0.00 N ATOM 827 CA LYS A 50 -12.367 -0.709 5.844 1.00 0.00 C ATOM 828 C LYS A 50 -12.186 0.614 5.115 1.00 0.00 C ATOM 829 O LYS A 50 -11.308 0.736 4.260 1.00 0.00 O ATOM 830 CB LYS A 50 -11.378 -0.830 7.006 1.00 0.00 C ATOM 831 CG LYS A 50 -11.543 0.209 8.102 1.00 0.00 C ATOM 832 CD LYS A 50 -10.545 -0.039 9.220 1.00 0.00 C ATOM 833 CE LYS A 50 -10.663 0.985 10.335 1.00 0.00 C ATOM 834 NZ LYS A 50 -9.727 0.684 11.450 1.00 0.00 N ATOM 0 H LYS A 50 -11.197 -1.855 4.550 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.381 -0.749 6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.480 -1.821 7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.365 -0.760 6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.397 1.208 7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.558 0.172 8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.701 -1.037 9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.534 -0.015 8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.454 1.980 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.686 1.000 10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.524 1.557 11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.160 -0.014 12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.841 0.298 11.065 1.00 0.00 H new ATOM 848 N ASP A 51 -13.036 1.586 5.425 1.00 0.00 N ATOM 849 CA ASP A 51 -12.939 2.904 4.813 1.00 0.00 C ATOM 850 C ASP A 51 -11.573 3.515 5.108 1.00 0.00 C ATOM 851 O ASP A 51 -11.116 3.524 6.254 1.00 0.00 O ATOM 852 CB ASP A 51 -14.056 3.818 5.316 1.00 0.00 C ATOM 853 CG ASP A 51 -14.119 5.135 4.565 1.00 0.00 C ATOM 854 OD1 ASP A 51 -13.365 6.063 4.919 1.00 0.00 O ATOM 855 OD2 ASP A 51 -14.946 5.257 3.630 1.00 0.00 O ATOM 0 H ASP A 51 -13.798 1.486 6.095 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.051 2.797 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.012 3.303 5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.907 4.017 6.377 1.00 0.00 H new ATOM 860 N ILE A 52 -10.934 4.016 4.065 1.00 0.00 N ATOM 861 CA ILE A 52 -9.562 4.503 4.134 1.00 0.00 C ATOM 862 C ILE A 52 -9.432 5.692 5.101 1.00 0.00 C ATOM 863 O ILE A 52 -8.361 5.936 5.654 1.00 0.00 O ATOM 864 CB ILE A 52 -9.083 4.894 2.710 1.00 0.00 C ATOM 865 CG1 ILE A 52 -7.691 4.326 2.399 1.00 0.00 C ATOM 866 CG2 ILE A 52 -9.100 6.403 2.520 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.548 5.035 3.091 1.00 0.00 C ATOM 0 H ILE A 52 -11.353 4.098 3.139 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.929 3.705 4.522 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.785 4.451 2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.672 3.274 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.528 4.370 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.760 6.647 1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.115 6.776 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.438 6.869 3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.605 4.565 2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.534 6.083 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.680 4.969 4.171 1.00 0.00 H new ATOM 879 N ALA A 53 -10.530 6.413 5.322 1.00 0.00 N ATOM 880 CA ALA A 53 -10.503 7.585 6.189 1.00 0.00 C ATOM 881 C ALA A 53 -10.575 7.173 7.652 1.00 0.00 C ATOM 882 O ALA A 53 -10.242 7.950 8.550 1.00 0.00 O ATOM 883 CB ALA A 53 -11.641 8.533 5.843 1.00 0.00 C ATOM 0 H ALA A 53 -11.442 6.207 4.915 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.560 8.108 6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.604 9.401 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.542 8.858 4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.594 8.020 5.973 1.00 0.00 H new ATOM 889 N GLU A 54 -10.991 5.934 7.885 1.00 0.00 N ATOM 890 CA GLU A 54 -11.097 5.401 9.236 1.00 0.00 C ATOM 891 C GLU A 54 -9.773 4.785 9.662 1.00 0.00 C ATOM 892 O GLU A 54 -9.666 4.186 10.733 1.00 0.00 O ATOM 893 CB GLU A 54 -12.192 4.336 9.320 1.00 0.00 C ATOM 894 CG GLU A 54 -13.571 4.820 8.912 1.00 0.00 C ATOM 895 CD GLU A 54 -14.631 3.756 9.115 1.00 0.00 C ATOM 896 OE1 GLU A 54 -14.497 2.655 8.543 1.00 0.00 O ATOM 897 OE2 GLU A 54 -15.594 4.008 9.872 1.00 0.00 O ATOM 0 H GLU A 54 -11.261 5.278 7.152 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.352 6.226 9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.913 3.495 8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.240 3.961 10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.831 5.705 9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.554 5.120 7.864 1.00 0.00 H new ATOM 904 N LEU A 55 -8.773 4.920 8.810 1.00 0.00 N ATOM 905 CA LEU A 55 -7.472 4.333 9.063 1.00 0.00 C ATOM 906 C LEU A 55 -6.573 5.281 9.839 1.00 0.00 C ATOM 907 O LEU A 55 -6.140 6.315 9.327 1.00 0.00 O ATOM 908 CB LEU A 55 -6.816 3.925 7.746 1.00 0.00 C ATOM 909 CG LEU A 55 -7.483 2.737 7.054 1.00 0.00 C ATOM 910 CD1 LEU A 55 -6.817 2.437 5.721 1.00 0.00 C ATOM 911 CD2 LEU A 55 -7.435 1.522 7.961 1.00 0.00 C ATOM 0 H LEU A 55 -8.839 5.435 7.932 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.616 3.444 9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.827 4.779 7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.771 3.681 7.934 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.524 2.991 6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.311 1.587 5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.895 3.308 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.766 2.200 5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.912 0.677 7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.397 1.274 8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.962 1.740 8.890 1.00 0.00 H new ATOM 923 N ASP A 56 -6.323 4.931 11.090 1.00 0.00 N ATOM 924 CA ASP A 56 -5.384 5.662 11.927 1.00 0.00 C ATOM 925 C ASP A 56 -3.959 5.270 11.551 1.00 0.00 C ATOM 926 O ASP A 56 -3.746 4.216 10.953 1.00 0.00 O ATOM 927 CB ASP A 56 -5.656 5.356 13.408 1.00 0.00 C ATOM 928 CG ASP A 56 -4.618 5.946 14.342 1.00 0.00 C ATOM 929 OD1 ASP A 56 -4.679 7.161 14.626 1.00 0.00 O ATOM 930 OD2 ASP A 56 -3.726 5.197 14.790 1.00 0.00 O ATOM 0 H ASP A 56 -6.763 4.136 11.553 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.509 6.733 11.768 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.639 5.743 13.677 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.689 4.276 13.549 1.00 0.00 H new ATOM 935 N THR A 57 -2.992 6.112 11.892 1.00 0.00 N ATOM 936 CA THR A 57 -1.594 5.843 11.586 1.00 0.00 C ATOM 937 C THR A 57 -1.159 4.485 12.144 1.00 0.00 C ATOM 938 O THR A 57 -0.432 3.738 11.490 1.00 0.00 O ATOM 939 CB THR A 57 -0.692 6.947 12.160 1.00 0.00 C ATOM 940 OG1 THR A 57 -1.342 8.219 12.017 1.00 0.00 O ATOM 941 CG2 THR A 57 0.649 6.976 11.440 1.00 0.00 C ATOM 0 H THR A 57 -3.152 6.991 12.383 1.00 0.00 H new ATOM 0 HA THR A 57 -1.492 5.824 10.501 1.00 0.00 H new ATOM 0 HB THR A 57 -0.515 6.739 13.215 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.768 8.923 12.385 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.272 7.765 11.862 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.148 6.015 11.562 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.488 7.169 10.379 1.00 0.00 H new ATOM 949 N GLY A 58 -1.638 4.156 13.338 1.00 0.00 N ATOM 950 CA GLY A 58 -1.299 2.884 13.944 1.00 0.00 C ATOM 951 C GLY A 58 -2.084 1.739 13.340 1.00 0.00 C ATOM 952 O GLY A 58 -1.648 0.586 13.374 1.00 0.00 O ATOM 0 H GLY A 58 -2.254 4.747 13.896 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.232 2.697 13.820 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.493 2.930 15.016 1.00 0.00 H new ATOM 956 N ASP A 59 -3.233 2.061 12.761 1.00 0.00 N ATOM 957 CA ASP A 59 -4.089 1.058 12.155 1.00 0.00 C ATOM 958 C ASP A 59 -3.513 0.672 10.800 1.00 0.00 C ATOM 959 O ASP A 59 -3.707 -0.438 10.317 1.00 0.00 O ATOM 960 CB ASP A 59 -5.513 1.603 12.016 1.00 0.00 C ATOM 961 CG ASP A 59 -6.546 0.508 11.865 1.00 0.00 C ATOM 962 OD1 ASP A 59 -6.730 -0.270 12.823 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.200 0.439 10.810 1.00 0.00 O ATOM 0 H ASP A 59 -3.592 3.014 12.700 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.132 0.170 12.786 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.754 2.206 12.892 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.562 2.264 11.151 1.00 0.00 H new ATOM 968 N LEU A 60 -2.786 1.613 10.206 1.00 0.00 N ATOM 969 CA LEU A 60 -1.994 1.351 9.012 1.00 0.00 C ATOM 970 C LEU A 60 -0.757 0.543 9.386 1.00 0.00 C ATOM 971 O LEU A 60 -0.256 -0.274 8.603 1.00 0.00 O ATOM 972 CB LEU A 60 -1.576 2.673 8.362 1.00 0.00 C ATOM 973 CG LEU A 60 -2.708 3.466 7.712 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.309 4.924 7.555 1.00 0.00 C ATOM 975 CD2 LEU A 60 -3.057 2.868 6.359 1.00 0.00 C ATOM 0 H LEU A 60 -2.730 2.576 10.539 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.594 0.782 8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.105 3.299 9.120 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.820 2.464 7.605 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.586 3.413 8.356 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.126 5.477 7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.094 5.350 8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.421 4.993 6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.865 3.442 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.181 2.899 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.375 1.834 6.489 1.00 0.00 H new ATOM 987 N LEU A 61 -0.266 0.776 10.598 1.00 0.00 N ATOM 988 CA LEU A 61 0.876 0.037 11.107 1.00 0.00 C ATOM 989 C LEU A 61 0.526 -1.425 11.314 1.00 0.00 C ATOM 990 O LEU A 61 1.401 -2.273 11.260 1.00 0.00 O ATOM 991 CB LEU A 61 1.390 0.621 12.422 1.00 0.00 C ATOM 992 CG LEU A 61 2.047 1.995 12.333 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.685 2.341 13.666 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.082 2.036 11.217 1.00 0.00 C ATOM 0 H LEU A 61 -0.643 1.470 11.243 1.00 0.00 H new ATOM 0 HA LEU A 61 1.664 0.121 10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.555 0.684 13.119 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.110 -0.077 12.850 1.00 0.00 H new ATOM 0 HG LEU A 61 1.281 2.734 12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.154 3.323 13.601 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.920 2.355 14.443 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.440 1.594 13.913 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.534 3.027 11.176 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.855 1.292 11.410 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.599 1.818 10.264 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.747 -1.717 11.567 1.00 0.00 N ATOM 1007 CA VAL A 62 -1.183 -3.102 11.733 1.00 0.00 C ATOM 1008 C VAL A 62 -0.726 -3.973 10.548 1.00 0.00 C ATOM 1009 O VAL A 62 0.007 -4.939 10.756 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.712 -3.226 11.926 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -3.106 -4.682 12.134 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -3.175 -2.379 13.101 1.00 0.00 C ATOM 0 H VAL A 62 -1.488 -1.022 11.661 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.709 -3.465 12.645 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.202 -2.859 11.024 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.185 -4.751 12.268 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.810 -5.267 11.263 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.605 -5.072 13.020 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.254 -2.480 13.220 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.677 -2.715 14.010 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.927 -1.334 12.916 1.00 0.00 H new ATOM 1022 N PRO A 63 -1.134 -3.657 9.295 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.662 -4.381 8.106 1.00 0.00 C ATOM 1024 C PRO A 63 0.853 -4.274 7.907 1.00 0.00 C ATOM 1025 O PRO A 63 1.496 -5.239 7.490 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.402 -3.709 6.944 1.00 0.00 C ATOM 1027 CG PRO A 63 -2.573 -3.043 7.571 1.00 0.00 C ATOM 1028 CD PRO A 63 -2.114 -2.618 8.935 1.00 0.00 C ATOM 0 HA PRO A 63 -0.860 -5.450 8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.764 -2.988 6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.715 -4.441 6.199 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.898 -2.185 6.982 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.422 -3.724 7.638 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.662 -1.626 8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.940 -2.580 9.645 1.00 0.00 H new ATOM 1036 N ILE A 64 1.427 -3.105 8.198 1.00 0.00 N ATOM 1037 CA ILE A 64 2.875 -2.924 8.066 1.00 0.00 C ATOM 1038 C ILE A 64 3.634 -3.856 9.020 1.00 0.00 C ATOM 1039 O ILE A 64 4.527 -4.598 8.606 1.00 0.00 O ATOM 1040 CB ILE A 64 3.294 -1.459 8.324 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.630 -0.535 7.297 1.00 0.00 C ATOM 1042 CG2 ILE A 64 4.811 -1.314 8.270 1.00 0.00 C ATOM 1043 CD1 ILE A 64 2.919 0.935 7.522 1.00 0.00 C ATOM 0 H ILE A 64 0.921 -2.281 8.522 1.00 0.00 H new ATOM 0 HA ILE A 64 3.135 -3.178 7.038 1.00 0.00 H new ATOM 0 HB ILE A 64 2.962 -1.173 9.322 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.968 -0.814 6.299 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.552 -0.692 7.324 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.084 -0.275 8.454 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.265 -1.949 9.031 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.170 -1.614 7.286 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.416 1.526 6.757 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.556 1.231 8.506 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.994 1.107 7.465 1.00 0.00 H new ATOM 1055 N LYS A 65 3.249 -3.826 10.289 1.00 0.00 N ATOM 1056 CA LYS A 65 3.849 -4.674 11.312 1.00 0.00 C ATOM 1057 C LYS A 65 3.499 -6.140 11.069 1.00 0.00 C ATOM 1058 O LYS A 65 4.213 -7.043 11.499 1.00 0.00 O ATOM 1059 CB LYS A 65 3.371 -4.227 12.695 1.00 0.00 C ATOM 1060 CG LYS A 65 3.920 -2.875 13.120 1.00 0.00 C ATOM 1061 CD LYS A 65 3.104 -2.275 14.253 1.00 0.00 C ATOM 1062 CE LYS A 65 2.967 -3.235 15.422 1.00 0.00 C ATOM 1063 NZ LYS A 65 2.144 -2.658 16.512 1.00 0.00 N ATOM 0 H LYS A 65 2.512 -3.213 10.639 1.00 0.00 H new ATOM 0 HA LYS A 65 4.933 -4.576 11.263 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.282 -4.185 12.698 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.663 -4.976 13.431 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.957 -2.985 13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.917 -2.195 12.268 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.577 -1.354 14.593 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.114 -2.007 13.885 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.515 -4.165 15.078 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.956 -3.484 15.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.073 -3.342 17.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.589 -1.784 16.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.192 -2.443 16.152 1.00 0.00 H new ATOM 1077 N LYS A 66 2.397 -6.359 10.366 1.00 0.00 N ATOM 1078 CA LYS A 66 1.991 -7.690 9.933 1.00 0.00 C ATOM 1079 C LYS A 66 3.053 -8.286 9.009 1.00 0.00 C ATOM 1080 O LYS A 66 3.343 -9.482 9.062 1.00 0.00 O ATOM 1081 CB LYS A 66 0.633 -7.587 9.226 1.00 0.00 C ATOM 1082 CG LYS A 66 0.177 -8.833 8.485 1.00 0.00 C ATOM 1083 CD LYS A 66 -1.128 -8.554 7.757 1.00 0.00 C ATOM 1084 CE LYS A 66 -1.552 -9.702 6.859 1.00 0.00 C ATOM 1085 NZ LYS A 66 -2.796 -9.376 6.114 1.00 0.00 N ATOM 0 H LYS A 66 1.758 -5.618 10.079 1.00 0.00 H new ATOM 0 HA LYS A 66 1.892 -8.352 10.794 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.123 -7.331 9.968 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.676 -6.761 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.942 -9.143 7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.043 -9.656 9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.913 -8.360 8.488 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.020 -7.650 7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.752 -9.929 6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.710 -10.597 7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.244 -10.255 5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.452 -8.866 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.564 -8.779 5.295 1.00 0.00 H new ATOM 1099 N ILE A 67 3.645 -7.437 8.178 1.00 0.00 N ATOM 1100 CA ILE A 67 4.729 -7.856 7.298 1.00 0.00 C ATOM 1101 C ILE A 67 6.035 -7.984 8.085 1.00 0.00 C ATOM 1102 O ILE A 67 6.896 -8.807 7.760 1.00 0.00 O ATOM 1103 CB ILE A 67 4.926 -6.868 6.132 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.585 -6.579 5.455 1.00 0.00 C ATOM 1105 CG2 ILE A 67 5.917 -7.433 5.122 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.652 -5.486 4.412 1.00 0.00 C ATOM 0 H ILE A 67 3.392 -6.452 8.095 1.00 0.00 H new ATOM 0 HA ILE A 67 4.456 -8.826 6.883 1.00 0.00 H new ATOM 0 HB ILE A 67 5.327 -5.935 6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.220 -7.493 4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.857 -6.298 6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.046 -6.725 4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.877 -7.603 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.538 -8.376 4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.664 -5.338 3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.986 -4.559 4.878 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.354 -5.772 3.629 1.00 0.00 H new ATOM 1118 N GLU A 68 6.176 -7.170 9.126 1.00 0.00 N ATOM 1119 CA GLU A 68 7.324 -7.271 10.020 1.00 0.00 C ATOM 1120 C GLU A 68 7.342 -8.626 10.715 1.00 0.00 C ATOM 1121 O GLU A 68 8.396 -9.246 10.860 1.00 0.00 O ATOM 1122 CB GLU A 68 7.310 -6.164 11.074 1.00 0.00 C ATOM 1123 CG GLU A 68 7.583 -4.777 10.525 1.00 0.00 C ATOM 1124 CD GLU A 68 7.794 -3.764 11.630 1.00 0.00 C ATOM 1125 OE1 GLU A 68 8.877 -3.777 12.255 1.00 0.00 O ATOM 1126 OE2 GLU A 68 6.875 -2.967 11.901 1.00 0.00 O ATOM 0 H GLU A 68 5.512 -6.435 9.371 1.00 0.00 H new ATOM 0 HA GLU A 68 8.221 -7.161 9.411 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.339 -6.162 11.569 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.055 -6.394 11.836 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.466 -4.807 9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.747 -4.463 9.899 1.00 0.00 H new ATOM 1133 N LYS A 69 6.169 -9.085 11.138 1.00 0.00 N ATOM 1134 CA LYS A 69 6.046 -10.385 11.790 1.00 0.00 C ATOM 1135 C LYS A 69 6.113 -11.511 10.766 1.00 0.00 C ATOM 1136 O LYS A 69 6.205 -12.686 11.121 1.00 0.00 O ATOM 1137 CB LYS A 69 4.738 -10.476 12.579 1.00 0.00 C ATOM 1138 CG LYS A 69 4.611 -9.425 13.669 1.00 0.00 C ATOM 1139 CD LYS A 69 3.445 -9.723 14.597 1.00 0.00 C ATOM 1140 CE LYS A 69 3.280 -8.635 15.646 1.00 0.00 C ATOM 1141 NZ LYS A 69 2.359 -9.047 16.739 1.00 0.00 N ATOM 0 H LYS A 69 5.290 -8.577 11.041 1.00 0.00 H new ATOM 0 HA LYS A 69 6.881 -10.491 12.483 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.900 -10.376 11.890 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.663 -11.466 13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.535 -9.384 14.246 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.475 -8.443 13.215 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.528 -9.811 14.015 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.605 -10.683 15.088 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.254 -8.388 16.067 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.898 -7.730 15.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.276 -8.276 17.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.421 -9.259 16.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.735 -9.895 17.209 1.00 0.00 H new ATOM 1155 N LEU A 70 6.059 -11.141 9.493 1.00 0.00 N ATOM 1156 CA LEU A 70 6.202 -12.098 8.407 1.00 0.00 C ATOM 1157 C LEU A 70 7.675 -12.470 8.248 1.00 0.00 C ATOM 1158 O LEU A 70 8.011 -13.543 7.741 1.00 0.00 O ATOM 1159 CB LEU A 70 5.659 -11.504 7.103 1.00 0.00 C ATOM 1160 CG LEU A 70 5.584 -12.466 5.919 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.521 -13.525 6.157 1.00 0.00 C ATOM 1162 CD2 LEU A 70 5.301 -11.703 4.636 1.00 0.00 C ATOM 0 H LEU A 70 5.916 -10.178 9.187 1.00 0.00 H new ATOM 0 HA LEU A 70 5.629 -12.996 8.640 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.660 -11.111 7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.286 -10.658 6.821 1.00 0.00 H new ATOM 0 HG LEU A 70 6.547 -12.967 5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.483 -14.201 5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.766 -14.090 7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.551 -13.045 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.250 -12.402 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.351 -11.177 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.099 -10.982 4.458 1.00 0.00 H new ATOM 1174 N GLY A 71 8.547 -11.569 8.693 1.00 0.00 N ATOM 1175 CA GLY A 71 9.972 -11.836 8.676 1.00 0.00 C ATOM 1176 C GLY A 71 10.740 -10.905 7.760 1.00 0.00 C ATOM 1177 O GLY A 71 11.957 -10.769 7.880 1.00 0.00 O ATOM 0 H GLY A 71 8.289 -10.656 9.066 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.365 -11.745 9.689 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.139 -12.866 8.360 1.00 0.00 H new ATOM 1181 N TYR A 72 10.035 -10.250 6.852 1.00 0.00 N ATOM 1182 CA TYR A 72 10.689 -9.430 5.844 1.00 0.00 C ATOM 1183 C TYR A 72 10.548 -7.947 6.162 1.00 0.00 C ATOM 1184 O TYR A 72 9.561 -7.312 5.790 1.00 0.00 O ATOM 1185 CB TYR A 72 10.116 -9.729 4.461 1.00 0.00 C ATOM 1186 CG TYR A 72 10.066 -11.204 4.135 1.00 0.00 C ATOM 1187 CD1 TYR A 72 11.232 -11.942 3.969 1.00 0.00 C ATOM 1188 CD2 TYR A 72 8.850 -11.860 4.000 1.00 0.00 C ATOM 1189 CE1 TYR A 72 11.185 -13.293 3.680 1.00 0.00 C ATOM 1190 CE2 TYR A 72 8.795 -13.209 3.712 1.00 0.00 C ATOM 1191 CZ TYR A 72 9.964 -13.920 3.552 1.00 0.00 C ATOM 1192 OH TYR A 72 9.912 -15.265 3.266 1.00 0.00 O ATOM 0 H TYR A 72 9.017 -10.269 6.791 1.00 0.00 H new ATOM 0 HA TYR A 72 11.750 -9.678 5.849 1.00 0.00 H new ATOM 0 HB2 TYR A 72 9.109 -9.316 4.397 1.00 0.00 H new ATOM 0 HB3 TYR A 72 10.718 -9.219 3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 72 12.190 -11.452 4.067 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.931 -11.306 4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.099 -13.854 3.555 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.840 -13.704 3.613 1.00 0.00 H new ATOM 0 HH TYR A 72 8.977 -15.552 3.210 1.00 0.00 H new ATOM 1202 N LEU A 73 11.544 -7.402 6.848 1.00 0.00 N ATOM 1203 CA LEU A 73 11.538 -5.993 7.228 1.00 0.00 C ATOM 1204 C LEU A 73 11.610 -5.081 6.009 1.00 0.00 C ATOM 1205 O LEU A 73 10.922 -4.062 5.950 1.00 0.00 O ATOM 1206 CB LEU A 73 12.697 -5.691 8.178 1.00 0.00 C ATOM 1207 CG LEU A 73 12.561 -6.306 9.570 1.00 0.00 C ATOM 1208 CD1 LEU A 73 13.761 -5.946 10.434 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.269 -5.839 10.223 1.00 0.00 C ATOM 0 H LEU A 73 12.370 -7.916 7.154 1.00 0.00 H new ATOM 0 HA LEU A 73 10.596 -5.796 7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.622 -6.050 7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.791 -4.610 8.281 1.00 0.00 H new ATOM 0 HG LEU A 73 12.529 -7.391 9.471 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.646 -6.393 11.421 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.671 -6.324 9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.827 -4.862 10.532 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.181 -6.283 11.215 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.278 -4.753 10.311 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.421 -6.146 9.612 1.00 0.00 H new ATOM 1221 N GLU A 74 12.434 -5.446 5.032 1.00 0.00 N ATOM 1222 CA GLU A 74 12.547 -4.656 3.813 1.00 0.00 C ATOM 1223 C GLU A 74 11.221 -4.613 3.076 1.00 0.00 C ATOM 1224 O GLU A 74 10.801 -3.562 2.608 1.00 0.00 O ATOM 1225 CB GLU A 74 13.626 -5.205 2.886 1.00 0.00 C ATOM 1226 CG GLU A 74 15.041 -4.939 3.358 1.00 0.00 C ATOM 1227 CD GLU A 74 16.044 -5.103 2.237 1.00 0.00 C ATOM 1228 OE1 GLU A 74 16.435 -6.248 1.952 1.00 0.00 O ATOM 1229 OE2 GLU A 74 16.420 -4.084 1.617 1.00 0.00 O ATOM 0 H GLU A 74 13.027 -6.275 5.060 1.00 0.00 H new ATOM 0 HA GLU A 74 12.829 -3.646 4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.486 -6.281 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.496 -4.768 1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.107 -3.928 3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.288 -5.622 4.171 1.00 0.00 H new ATOM 1236 N ILE A 75 10.555 -5.756 2.989 1.00 0.00 N ATOM 1237 CA ILE A 75 9.279 -5.828 2.301 1.00 0.00 C ATOM 1238 C ILE A 75 8.228 -5.005 3.034 1.00 0.00 C ATOM 1239 O ILE A 75 7.412 -4.348 2.404 1.00 0.00 O ATOM 1240 CB ILE A 75 8.804 -7.286 2.125 1.00 0.00 C ATOM 1241 CG1 ILE A 75 9.778 -8.030 1.206 1.00 0.00 C ATOM 1242 CG2 ILE A 75 7.384 -7.338 1.567 1.00 0.00 C ATOM 1243 CD1 ILE A 75 9.349 -9.441 0.874 1.00 0.00 C ATOM 0 H ILE A 75 10.877 -6.640 3.384 1.00 0.00 H new ATOM 0 HA ILE A 75 9.420 -5.408 1.305 1.00 0.00 H new ATOM 0 HB ILE A 75 8.789 -7.773 3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.890 -7.467 0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.759 -8.061 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.076 -8.377 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.705 -6.831 2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.356 -6.843 0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.089 -9.902 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.265 -10.021 1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.383 -9.418 0.370 1.00 0.00 H new ATOM 1255 N ALA A 76 8.277 -5.012 4.361 1.00 0.00 N ATOM 1256 CA ALA A 76 7.378 -4.184 5.157 1.00 0.00 C ATOM 1257 C ALA A 76 7.548 -2.713 4.790 1.00 0.00 C ATOM 1258 O ALA A 76 6.576 -2.011 4.516 1.00 0.00 O ATOM 1259 CB ALA A 76 7.634 -4.396 6.642 1.00 0.00 C ATOM 0 H ALA A 76 8.926 -5.579 4.907 1.00 0.00 H new ATOM 0 HA ALA A 76 6.351 -4.479 4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.955 -3.771 7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.467 -5.443 6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.664 -4.126 6.876 1.00 0.00 H new ATOM 1265 N MET A 77 8.798 -2.261 4.767 1.00 0.00 N ATOM 1266 CA MET A 77 9.116 -0.883 4.393 1.00 0.00 C ATOM 1267 C MET A 77 8.801 -0.614 2.918 1.00 0.00 C ATOM 1268 O MET A 77 8.389 0.488 2.559 1.00 0.00 O ATOM 1269 CB MET A 77 10.592 -0.578 4.663 1.00 0.00 C ATOM 1270 CG MET A 77 10.988 -0.693 6.124 1.00 0.00 C ATOM 1271 SD MET A 77 12.716 -0.262 6.410 1.00 0.00 S ATOM 1272 CE MET A 77 13.548 -1.471 5.381 1.00 0.00 C ATOM 0 H MET A 77 9.611 -2.829 5.003 1.00 0.00 H new ATOM 0 HA MET A 77 8.493 -0.230 5.004 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.207 -1.260 4.076 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.814 0.431 4.315 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.351 -0.041 6.722 1.00 0.00 H new ATOM 0 HG3 MET A 77 10.810 -1.713 6.466 1.00 0.00 H new ATOM 0 HE1 MET A 77 14.627 -1.365 5.495 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.248 -2.474 5.683 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.276 -1.310 4.338 1.00 0.00 H new ATOM 1282 N ARG A 78 8.997 -1.614 2.067 1.00 0.00 N ATOM 1283 CA ARG A 78 8.774 -1.442 0.633 1.00 0.00 C ATOM 1284 C ARG A 78 7.290 -1.473 0.287 1.00 0.00 C ATOM 1285 O ARG A 78 6.849 -0.773 -0.623 1.00 0.00 O ATOM 1286 CB ARG A 78 9.542 -2.484 -0.187 1.00 0.00 C ATOM 1287 CG ARG A 78 11.044 -2.245 -0.184 1.00 0.00 C ATOM 1288 CD ARG A 78 11.757 -3.029 -1.275 1.00 0.00 C ATOM 1289 NE ARG A 78 11.682 -4.478 -1.076 1.00 0.00 N ATOM 1290 CZ ARG A 78 12.738 -5.236 -0.774 1.00 0.00 C ATOM 1291 NH1 ARG A 78 13.918 -4.677 -0.546 1.00 0.00 N ATOM 1292 NH2 ARG A 78 12.619 -6.553 -0.696 1.00 0.00 N ATOM 0 H ARG A 78 9.308 -2.546 2.340 1.00 0.00 H new ATOM 0 HA ARG A 78 9.159 -0.457 0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.336 -3.477 0.212 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.179 -2.471 -1.215 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.240 -1.181 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.452 -2.525 0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.320 -2.777 -2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.803 -2.726 -1.309 1.00 0.00 H new ATOM 0 HE ARG A 78 10.774 -4.932 -1.173 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.021 -3.664 -0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.723 -5.260 -0.315 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.716 -6.994 -0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.431 -7.126 -0.465 1.00 0.00 H new ATOM 1306 N VAL A 79 6.515 -2.272 1.007 1.00 0.00 N ATOM 1307 CA VAL A 79 5.070 -2.259 0.834 1.00 0.00 C ATOM 1308 C VAL A 79 4.505 -0.968 1.420 1.00 0.00 C ATOM 1309 O VAL A 79 3.547 -0.397 0.893 1.00 0.00 O ATOM 1310 CB VAL A 79 4.382 -3.490 1.469 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.869 -3.375 1.376 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.845 -4.769 0.789 1.00 0.00 C ATOM 0 H VAL A 79 6.857 -2.929 1.708 1.00 0.00 H new ATOM 0 HA VAL A 79 4.862 -2.307 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 79 4.664 -3.525 2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.409 -4.253 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.539 -2.479 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.573 -3.310 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.351 -5.625 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.592 -4.730 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.925 -4.870 0.901 1.00 0.00 H new ATOM 1322 N LYS A 80 5.128 -0.495 2.498 1.00 0.00 N ATOM 1323 CA LYS A 80 4.810 0.819 3.035 1.00 0.00 C ATOM 1324 C LYS A 80 5.120 1.889 1.997 1.00 0.00 C ATOM 1325 O LYS A 80 4.422 2.890 1.913 1.00 0.00 O ATOM 1326 CB LYS A 80 5.590 1.105 4.326 1.00 0.00 C ATOM 1327 CG LYS A 80 5.440 2.542 4.817 1.00 0.00 C ATOM 1328 CD LYS A 80 6.201 2.785 6.112 1.00 0.00 C ATOM 1329 CE LYS A 80 6.248 4.259 6.479 1.00 0.00 C ATOM 1330 NZ LYS A 80 6.822 5.105 5.395 1.00 0.00 N ATOM 0 H LYS A 80 5.850 -1.001 3.011 1.00 0.00 H new ATOM 0 HA LYS A 80 3.747 0.835 3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.249 0.425 5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.646 0.894 4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.802 3.227 4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.384 2.764 4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.729 2.226 6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.217 2.404 6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.240 4.604 6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.841 4.385 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.144 6.010 5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.628 4.612 4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.095 5.285 4.673 1.00 0.00 H new ATOM 1344 N GLN A 81 6.167 1.671 1.205 1.00 0.00 N ATOM 1345 CA GLN A 81 6.532 2.613 0.156 1.00 0.00 C ATOM 1346 C GLN A 81 5.447 2.668 -0.914 1.00 0.00 C ATOM 1347 O GLN A 81 5.053 3.753 -1.348 1.00 0.00 O ATOM 1348 CB GLN A 81 7.877 2.249 -0.471 1.00 0.00 C ATOM 1349 CG GLN A 81 8.340 3.258 -1.510 1.00 0.00 C ATOM 1350 CD GLN A 81 9.720 2.961 -2.053 1.00 0.00 C ATOM 1351 OE1 GLN A 81 10.136 1.804 -2.144 1.00 0.00 O ATOM 1352 NE2 GLN A 81 10.438 4.008 -2.417 1.00 0.00 N ATOM 0 H GLN A 81 6.774 0.854 1.271 1.00 0.00 H new ATOM 0 HA GLN A 81 6.627 3.599 0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.629 2.173 0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.801 1.266 -0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.627 3.274 -2.335 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.337 4.254 -1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.053 4.948 -2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.378 3.877 -2.791 1.00 0.00 H new ATOM 1361 N TYR A 82 4.965 1.497 -1.336 1.00 0.00 N ATOM 1362 CA TYR A 82 3.813 1.429 -2.231 1.00 0.00 C ATOM 1363 C TYR A 82 2.671 2.244 -1.644 1.00 0.00 C ATOM 1364 O TYR A 82 2.122 3.135 -2.294 1.00 0.00 O ATOM 1365 CB TYR A 82 3.324 -0.010 -2.417 1.00 0.00 C ATOM 1366 CG TYR A 82 4.349 -0.987 -2.943 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.228 -0.643 -3.960 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.414 -2.272 -2.424 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.149 -1.555 -4.441 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.324 -3.189 -2.900 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.191 -2.827 -3.907 1.00 0.00 C ATOM 1372 OH TYR A 82 7.087 -3.751 -4.392 1.00 0.00 O ATOM 0 H TYR A 82 5.352 0.591 -1.074 1.00 0.00 H new ATOM 0 HA TYR A 82 4.123 1.823 -3.199 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.958 -0.377 -1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.474 -0.000 -3.100 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.192 0.351 -4.382 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.738 -2.558 -1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.831 -1.274 -5.230 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.358 -4.186 -2.486 1.00 0.00 H new ATOM 0 HH TYR A 82 7.898 -3.292 -4.697 1.00 0.00 H new ATOM 1382 N ALA A 83 2.343 1.933 -0.394 1.00 0.00 N ATOM 1383 CA ALA A 83 1.271 2.606 0.321 1.00 0.00 C ATOM 1384 C ALA A 83 1.534 4.100 0.445 1.00 0.00 C ATOM 1385 O ALA A 83 0.607 4.891 0.423 1.00 0.00 O ATOM 1386 CB ALA A 83 1.086 1.987 1.696 1.00 0.00 C ATOM 0 H ALA A 83 2.813 1.209 0.148 1.00 0.00 H new ATOM 0 HA ALA A 83 0.354 2.477 -0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.280 2.500 2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.835 0.932 1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.010 2.084 2.266 1.00 0.00 H new ATOM 1392 N THR A 84 2.800 4.479 0.566 1.00 0.00 N ATOM 1393 CA THR A 84 3.180 5.883 0.682 1.00 0.00 C ATOM 1394 C THR A 84 2.716 6.675 -0.541 1.00 0.00 C ATOM 1395 O THR A 84 2.158 7.769 -0.411 1.00 0.00 O ATOM 1396 CB THR A 84 4.710 6.027 0.859 1.00 0.00 C ATOM 1397 OG1 THR A 84 5.119 5.374 2.068 1.00 0.00 O ATOM 1398 CG2 THR A 84 5.136 7.485 0.901 1.00 0.00 C ATOM 0 H THR A 84 3.586 3.830 0.587 1.00 0.00 H new ATOM 0 HA THR A 84 2.688 6.289 1.566 1.00 0.00 H new ATOM 0 HB THR A 84 5.191 5.560 -0.000 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.676 4.502 2.135 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.217 7.545 1.026 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.851 7.974 -0.030 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.646 7.983 1.737 1.00 0.00 H new ATOM 1406 N ALA A 85 2.922 6.106 -1.724 1.00 0.00 N ATOM 1407 CA ALA A 85 2.477 6.735 -2.958 1.00 0.00 C ATOM 1408 C ALA A 85 0.953 6.740 -3.030 1.00 0.00 C ATOM 1409 O ALA A 85 0.342 7.715 -3.474 1.00 0.00 O ATOM 1410 CB ALA A 85 3.070 6.020 -4.163 1.00 0.00 C ATOM 0 H ALA A 85 3.394 5.211 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 85 2.825 7.768 -2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.727 6.503 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.158 6.066 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.750 4.978 -4.161 1.00 0.00 H new ATOM 1416 N ILE A 86 0.351 5.650 -2.568 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.101 5.523 -2.534 1.00 0.00 C ATOM 1418 C ILE A 86 -1.705 6.536 -1.563 1.00 0.00 C ATOM 1419 O ILE A 86 -2.710 7.175 -1.865 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.527 4.094 -2.123 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -0.929 3.071 -3.090 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.046 3.973 -2.090 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.143 1.632 -2.672 1.00 0.00 C ATOM 0 H ILE A 86 0.850 4.836 -2.209 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.473 5.722 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.149 3.893 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.366 3.221 -4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.141 3.256 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.324 2.960 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.452 4.682 -1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.450 4.190 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.690 0.968 -3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.681 1.463 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.212 1.427 -2.607 1.00 0.00 H new ATOM 1435 N MET A 87 -1.074 6.687 -0.404 1.00 0.00 N ATOM 1436 CA MET A 87 -1.519 7.648 0.598 1.00 0.00 C ATOM 1437 C MET A 87 -1.421 9.065 0.058 1.00 0.00 C ATOM 1438 O MET A 87 -2.277 9.897 0.333 1.00 0.00 O ATOM 1439 CB MET A 87 -0.687 7.542 1.879 1.00 0.00 C ATOM 1440 CG MET A 87 -0.834 6.225 2.622 1.00 0.00 C ATOM 1441 SD MET A 87 0.213 6.150 4.089 1.00 0.00 S ATOM 1442 CE MET A 87 0.043 4.425 4.532 1.00 0.00 C ATOM 0 H MET A 87 -0.248 6.153 -0.134 1.00 0.00 H new ATOM 0 HA MET A 87 -2.558 7.416 0.832 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.364 7.687 1.627 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.969 8.355 2.548 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.875 6.089 2.914 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.580 5.402 1.954 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.198 4.308 5.604 1.00 0.00 H new ATOM 0 HE2 MET A 87 -0.957 4.079 4.270 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.784 3.836 3.992 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.371 9.337 -0.708 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.190 10.652 -1.311 1.00 0.00 C ATOM 1454 C ARG A 88 -1.328 10.942 -2.284 1.00 0.00 C ATOM 1455 O ARG A 88 -1.858 12.052 -2.331 1.00 0.00 O ATOM 1456 CB ARG A 88 1.159 10.727 -2.027 1.00 0.00 C ATOM 1457 CG ARG A 88 1.478 12.099 -2.596 1.00 0.00 C ATOM 1458 CD ARG A 88 2.897 12.152 -3.136 1.00 0.00 C ATOM 1459 NE ARG A 88 3.880 11.800 -2.109 1.00 0.00 N ATOM 1460 CZ ARG A 88 5.172 11.580 -2.350 1.00 0.00 C ATOM 1461 NH1 ARG A 88 5.654 11.699 -3.581 1.00 0.00 N ATOM 1462 NH2 ARG A 88 5.985 11.253 -1.354 1.00 0.00 N ATOM 0 H ARG A 88 0.366 8.667 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.204 11.406 -0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.946 10.442 -1.329 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.171 9.997 -2.836 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.774 12.338 -3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.352 12.855 -1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.991 11.468 -3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.106 13.153 -3.512 1.00 0.00 H new ATOM 0 HE ARG A 88 3.554 11.718 -1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.035 11.960 -4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.644 11.529 -3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.621 11.170 -0.405 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.974 11.084 -1.537 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.710 9.927 -3.046 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.855 10.027 -3.937 1.00 0.00 C ATOM 1478 C TYR A 89 -4.128 10.214 -3.114 1.00 0.00 C ATOM 1479 O TYR A 89 -4.990 11.027 -3.450 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.950 8.769 -4.809 1.00 0.00 C ATOM 1481 CG TYR A 89 -4.052 8.811 -5.845 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.931 9.598 -6.984 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -5.207 8.057 -5.690 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.932 9.630 -7.937 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -6.212 8.084 -6.638 1.00 0.00 C ATOM 1486 CZ TYR A 89 -6.070 8.873 -7.759 1.00 0.00 C ATOM 1487 OH TYR A 89 -7.065 8.900 -8.709 1.00 0.00 O ATOM 0 H TYR A 89 -1.241 9.021 -3.064 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.733 10.889 -4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.997 8.620 -5.316 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.107 7.905 -4.164 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.041 10.194 -7.127 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.322 7.438 -4.813 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.823 10.246 -8.818 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.104 7.490 -6.501 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.797 8.310 -8.433 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.214 9.470 -2.014 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.333 9.568 -1.083 1.00 0.00 C ATOM 1499 C ALA A 90 -5.435 10.968 -0.485 1.00 0.00 C ATOM 1500 O ALA A 90 -6.531 11.452 -0.201 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.179 8.536 0.024 1.00 0.00 C ATOM 0 H ALA A 90 -3.510 8.783 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.252 9.371 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.018 8.616 0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.160 7.536 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.248 8.715 0.562 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.285 11.603 -0.283 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.236 12.975 0.203 1.00 0.00 C ATOM 1509 C VAL A 91 -4.900 13.914 -0.797 1.00 0.00 C ATOM 1510 O VAL A 91 -5.746 14.724 -0.427 1.00 0.00 O ATOM 1511 CB VAL A 91 -2.783 13.441 0.459 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -2.728 14.934 0.749 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.165 12.662 1.608 1.00 0.00 C ATOM 0 H VAL A 91 -3.370 11.185 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.775 13.003 1.150 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.208 13.247 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.695 15.233 0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.125 15.485 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.325 15.155 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.143 13.005 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.751 12.822 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.157 11.600 1.364 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.529 13.778 -2.067 1.00 0.00 N ATOM 1524 CA GLN A 92 -5.086 14.621 -3.125 1.00 0.00 C ATOM 1525 C GLN A 92 -6.578 14.349 -3.296 1.00 0.00 C ATOM 1526 O GLN A 92 -7.359 15.258 -3.582 1.00 0.00 O ATOM 1527 CB GLN A 92 -4.359 14.374 -4.450 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.851 14.528 -4.359 1.00 0.00 C ATOM 1529 CD GLN A 92 -2.169 14.443 -5.710 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -2.767 13.712 -6.639 1.00 0.00 O flip ATOM 1531 NE2 GLN A 92 -1.111 15.035 -5.918 1.00 0.00 N flip ATOM 0 H GLN A 92 -3.846 13.093 -2.390 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.947 15.663 -2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -4.592 13.368 -4.800 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.741 15.068 -5.198 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.616 15.487 -3.898 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.450 13.753 -3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.682 15.588 -5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.663 14.973 -6.832 1.00 0.00 H new ATOM 1540 N GLN A 93 -6.966 13.096 -3.097 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.363 12.691 -3.208 1.00 0.00 C ATOM 1542 C GLN A 93 -9.133 13.086 -1.942 1.00 0.00 C ATOM 1543 O GLN A 93 -10.334 12.835 -1.820 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.441 11.178 -3.449 1.00 0.00 C ATOM 1545 CG GLN A 93 -9.811 10.684 -3.891 1.00 0.00 C ATOM 1546 CD GLN A 93 -9.805 9.207 -4.232 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -8.798 8.666 -4.679 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -10.929 8.542 -4.019 1.00 0.00 N ATOM 0 H GLN A 93 -6.328 12.337 -2.856 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.823 13.203 -4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.707 10.904 -4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.160 10.661 -2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.535 10.869 -3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.138 11.254 -4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -11.745 9.027 -3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.979 7.545 -4.228 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.409 13.699 -1.003 1.00 0.00 N ATOM 1558 CA LYS A 94 -8.981 14.248 0.227 1.00 0.00 C ATOM 1559 C LYS A 94 -9.574 13.150 1.103 1.00 0.00 C ATOM 1560 O LYS A 94 -10.463 13.399 1.916 1.00 0.00 O ATOM 1561 CB LYS A 94 -10.050 15.292 -0.096 1.00 0.00 C ATOM 1562 CG LYS A 94 -10.202 16.343 0.989 1.00 0.00 C ATOM 1563 CD LYS A 94 -11.238 17.390 0.619 1.00 0.00 C ATOM 1564 CE LYS A 94 -11.278 18.506 1.648 1.00 0.00 C ATOM 1565 NZ LYS A 94 -12.342 19.498 1.353 1.00 0.00 N ATOM 0 H LYS A 94 -7.400 13.829 -1.076 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.173 14.726 0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.798 15.783 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.006 14.790 -0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.490 15.862 1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.241 16.828 1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.007 17.804 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.221 16.924 0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.444 18.080 2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.311 19.009 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.334 20.242 2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.171 19.924 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.268 19.024 1.353 1.00 0.00 H new ATOM 1579 N MET A 95 -9.064 11.941 0.956 1.00 0.00 N ATOM 1580 CA MET A 95 -9.578 10.818 1.720 1.00 0.00 C ATOM 1581 C MET A 95 -9.011 10.825 3.127 1.00 0.00 C ATOM 1582 O MET A 95 -9.750 10.715 4.104 1.00 0.00 O ATOM 1583 CB MET A 95 -9.250 9.494 1.040 1.00 0.00 C ATOM 1584 CG MET A 95 -9.825 9.363 -0.356 1.00 0.00 C ATOM 1585 SD MET A 95 -9.857 7.655 -0.920 1.00 0.00 S ATOM 1586 CE MET A 95 -8.139 7.191 -0.719 1.00 0.00 C ATOM 0 H MET A 95 -8.300 11.712 0.320 1.00 0.00 H new ATOM 0 HA MET A 95 -10.662 10.922 1.771 1.00 0.00 H new ATOM 0 HB2 MET A 95 -8.167 9.381 0.989 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.626 8.677 1.656 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.837 9.767 -0.370 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.233 9.962 -1.049 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.037 6.113 -0.840 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.535 7.699 -1.470 1.00 0.00 H new ATOM 0 HE3 MET A 95 -7.798 7.478 0.276 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.698 10.968 3.230 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.041 10.954 4.528 1.00 0.00 C ATOM 1598 C ILE A 96 -6.573 12.346 4.929 1.00 0.00 C ATOM 1599 O ILE A 96 -6.088 12.542 6.049 1.00 0.00 O ATOM 1600 CB ILE A 96 -5.850 9.975 4.551 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -4.872 10.289 3.416 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.351 8.541 4.450 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.675 9.362 3.373 1.00 0.00 C ATOM 0 H ILE A 96 -7.070 11.094 2.436 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.782 10.613 5.252 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.319 10.092 5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.401 10.230 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.522 11.316 3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.502 7.857 4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.008 8.325 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -6.902 8.413 3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.026 9.644 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.122 9.438 4.309 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.015 8.335 3.235 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.730 13.307 4.008 1.00 0.00 N ATOM 1616 CA ARG A 97 -6.391 14.714 4.256 1.00 0.00 C ATOM 1617 C ARG A 97 -4.871 14.933 4.306 1.00 0.00 C ATOM 1618 O ARG A 97 -4.320 15.671 3.488 1.00 0.00 O ATOM 1619 CB ARG A 97 -7.075 15.188 5.544 1.00 0.00 C ATOM 1620 CG ARG A 97 -6.670 16.569 6.018 1.00 0.00 C ATOM 1621 CD ARG A 97 -7.365 16.896 7.327 1.00 0.00 C ATOM 1622 NE ARG A 97 -6.713 17.985 8.046 1.00 0.00 N ATOM 1623 CZ ARG A 97 -5.950 17.803 9.126 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -5.668 16.572 9.543 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -5.454 18.848 9.775 1.00 0.00 N ATOM 0 H ARG A 97 -7.095 13.131 3.072 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.760 15.313 3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.154 15.176 5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.859 14.471 6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.589 16.614 6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.930 17.312 5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.402 17.166 7.127 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.383 16.007 7.958 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.847 18.937 7.705 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.035 15.766 9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.085 16.434 10.368 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.655 19.793 9.449 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.871 18.706 10.600 1.00 0.00 H new ATOM 1639 N PHE A 98 -4.199 14.286 5.249 1.00 0.00 N ATOM 1640 CA PHE A 98 -2.744 14.361 5.354 1.00 0.00 C ATOM 1641 C PHE A 98 -2.135 12.971 5.256 1.00 0.00 C ATOM 1642 O PHE A 98 -2.854 11.974 5.259 1.00 0.00 O ATOM 1643 CB PHE A 98 -2.313 15.034 6.660 1.00 0.00 C ATOM 1644 CG PHE A 98 -2.283 16.534 6.584 1.00 0.00 C ATOM 1645 CD1 PHE A 98 -1.143 17.193 6.154 1.00 0.00 C ATOM 1646 CD2 PHE A 98 -3.389 17.283 6.942 1.00 0.00 C ATOM 1647 CE1 PHE A 98 -1.108 18.572 6.084 1.00 0.00 C ATOM 1648 CE2 PHE A 98 -3.362 18.663 6.873 1.00 0.00 C ATOM 1649 CZ PHE A 98 -2.219 19.308 6.443 1.00 0.00 C ATOM 0 H PHE A 98 -4.640 13.699 5.957 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.381 14.969 4.525 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.994 14.733 7.456 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.322 14.673 6.935 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.271 16.622 5.870 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.285 16.783 7.280 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.212 19.074 5.749 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.233 19.236 7.155 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.195 20.386 6.388 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.813 12.907 5.167 1.00 0.00 N ATOM 1660 CA ASN A 99 -0.120 11.633 5.012 1.00 0.00 C ATOM 1661 C ASN A 99 0.356 11.112 6.366 1.00 0.00 C ATOM 1662 O ASN A 99 1.289 11.661 6.953 1.00 0.00 O ATOM 1663 CB ASN A 99 1.075 11.789 4.069 1.00 0.00 C ATOM 1664 CG ASN A 99 1.654 10.455 3.639 1.00 0.00 C ATOM 1665 OD1 ASN A 99 2.456 9.854 4.350 1.00 0.00 O ATOM 1666 ND2 ASN A 99 1.272 9.996 2.456 1.00 0.00 N ATOM 0 H ASN A 99 -0.199 13.721 5.199 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.820 10.914 4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.766 12.349 3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.850 12.375 4.563 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.646 9.114 2.106 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.604 10.525 1.895 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.281 10.044 6.876 1.00 0.00 N ATOM 1674 CA PRO A 100 0.044 9.471 8.191 1.00 0.00 C ATOM 1675 C PRO A 100 1.481 8.957 8.269 1.00 0.00 C ATOM 1676 O PRO A 100 2.187 9.214 9.240 1.00 0.00 O ATOM 1677 CB PRO A 100 -0.948 8.311 8.339 1.00 0.00 C ATOM 1678 CG PRO A 100 -2.036 8.607 7.366 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.374 9.312 6.219 1.00 0.00 C ATOM 0 HA PRO A 100 -0.033 10.217 8.982 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.472 7.355 8.120 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.334 8.250 9.356 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.524 7.691 7.033 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.806 9.232 7.818 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.000 8.610 5.474 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.061 9.985 5.707 1.00 0.00 H new ATOM 1687 N ALA A 101 1.910 8.249 7.227 1.00 0.00 N ATOM 1688 CA ALA A 101 3.253 7.679 7.173 1.00 0.00 C ATOM 1689 C ALA A 101 4.318 8.772 7.300 1.00 0.00 C ATOM 1690 O ALA A 101 5.283 8.629 8.051 1.00 0.00 O ATOM 1691 CB ALA A 101 3.431 6.900 5.878 1.00 0.00 C ATOM 0 H ALA A 101 1.341 8.055 6.403 1.00 0.00 H new ATOM 0 HA ALA A 101 3.377 6.997 8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.435 6.477 5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.697 6.096 5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.289 7.569 5.029 1.00 0.00 H new ATOM 1697 N TYR A 102 4.129 9.867 6.570 1.00 0.00 N ATOM 1698 CA TYR A 102 5.073 10.982 6.584 1.00 0.00 C ATOM 1699 C TYR A 102 5.038 11.739 7.907 1.00 0.00 C ATOM 1700 O TYR A 102 6.083 12.025 8.498 1.00 0.00 O ATOM 1701 CB TYR A 102 4.769 11.959 5.446 1.00 0.00 C ATOM 1702 CG TYR A 102 5.672 11.813 4.243 1.00 0.00 C ATOM 1703 CD1 TYR A 102 6.871 12.510 4.173 1.00 0.00 C ATOM 1704 CD2 TYR A 102 5.325 10.994 3.177 1.00 0.00 C ATOM 1705 CE1 TYR A 102 7.701 12.396 3.075 1.00 0.00 C ATOM 1706 CE2 TYR A 102 6.152 10.872 2.076 1.00 0.00 C ATOM 1707 CZ TYR A 102 7.337 11.575 2.030 1.00 0.00 C ATOM 1708 OH TYR A 102 8.162 11.461 0.933 1.00 0.00 O ATOM 0 H TYR A 102 3.326 10.007 5.957 1.00 0.00 H new ATOM 0 HA TYR A 102 6.068 10.556 6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.736 11.819 5.129 1.00 0.00 H new ATOM 0 HB3 TYR A 102 4.851 12.977 5.826 1.00 0.00 H new ATOM 0 HD1 TYR A 102 7.160 13.153 4.992 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.396 10.444 3.208 1.00 0.00 H new ATOM 0 HE1 TYR A 102 8.629 12.947 3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.871 10.229 1.255 1.00 0.00 H new ATOM 0 HH TYR A 102 7.894 10.682 0.402 1.00 0.00 H new ATOM 1718 N ASP A 103 3.836 12.054 8.372 1.00 0.00 N ATOM 1719 CA ASP A 103 3.672 12.936 9.524 1.00 0.00 C ATOM 1720 C ASP A 103 4.021 12.217 10.822 1.00 0.00 C ATOM 1721 O ASP A 103 4.323 12.851 11.833 1.00 0.00 O ATOM 1722 CB ASP A 103 2.240 13.474 9.581 1.00 0.00 C ATOM 1723 CG ASP A 103 2.124 14.709 10.450 1.00 0.00 C ATOM 1724 OD1 ASP A 103 2.675 15.759 10.064 1.00 0.00 O ATOM 1725 OD2 ASP A 103 1.462 14.648 11.506 1.00 0.00 O ATOM 0 H ASP A 103 2.962 11.714 7.972 1.00 0.00 H new ATOM 0 HA ASP A 103 4.359 13.774 9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.902 13.710 8.572 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.578 12.698 9.966 1.00 0.00 H new ATOM 1730 N LEU A 104 3.997 10.888 10.780 1.00 0.00 N ATOM 1731 CA LEU A 104 4.358 10.065 11.932 1.00 0.00 C ATOM 1732 C LEU A 104 5.763 10.424 12.417 1.00 0.00 C ATOM 1733 O LEU A 104 6.004 10.578 13.615 1.00 0.00 O ATOM 1734 CB LEU A 104 4.282 8.575 11.545 1.00 0.00 C ATOM 1735 CG LEU A 104 4.286 7.557 12.698 1.00 0.00 C ATOM 1736 CD1 LEU A 104 5.672 7.400 13.308 1.00 0.00 C ATOM 1737 CD2 LEU A 104 3.280 7.958 13.764 1.00 0.00 C ATOM 0 H LEU A 104 3.729 10.354 9.954 1.00 0.00 H new ATOM 0 HA LEU A 104 3.657 10.255 12.745 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.375 8.422 10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.125 8.351 10.891 1.00 0.00 H new ATOM 0 HG LEU A 104 3.997 6.591 12.284 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.632 6.673 14.119 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.369 7.055 12.544 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.009 8.360 13.698 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.296 7.227 14.572 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.540 8.941 14.158 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.282 7.994 13.327 1.00 0.00 H new ATOM 1749 N GLU A 105 6.674 10.599 11.467 1.00 0.00 N ATOM 1750 CA GLU A 105 8.077 10.851 11.782 1.00 0.00 C ATOM 1751 C GLU A 105 8.318 12.308 12.183 1.00 0.00 C ATOM 1752 O GLU A 105 9.465 12.723 12.369 1.00 0.00 O ATOM 1753 CB GLU A 105 8.959 10.491 10.584 1.00 0.00 C ATOM 1754 CG GLU A 105 8.903 9.020 10.209 1.00 0.00 C ATOM 1755 CD GLU A 105 9.798 8.684 9.034 1.00 0.00 C ATOM 1756 OE1 GLU A 105 11.017 8.511 9.239 1.00 0.00 O ATOM 1757 OE2 GLU A 105 9.286 8.598 7.897 1.00 0.00 O ATOM 0 H GLU A 105 6.466 10.571 10.469 1.00 0.00 H new ATOM 0 HA GLU A 105 8.340 10.222 12.633 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.653 11.088 9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.991 10.761 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.197 8.418 11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.875 8.749 9.967 1.00 0.00 H new ATOM 1764 N GLY A 106 7.245 13.082 12.311 1.00 0.00 N ATOM 1765 CA GLY A 106 7.385 14.476 12.692 1.00 0.00 C ATOM 1766 C GLY A 106 6.323 14.928 13.675 1.00 0.00 C ATOM 1767 O GLY A 106 6.210 16.121 13.966 1.00 0.00 O ATOM 0 H GLY A 106 6.286 12.771 12.159 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.370 14.630 13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.335 15.098 11.799 1.00 0.00 H new ATOM 1771 N ALA A 107 5.550 13.979 14.190 1.00 0.00 N ATOM 1772 CA ALA A 107 4.477 14.289 15.130 1.00 0.00 C ATOM 1773 C ALA A 107 5.036 14.639 16.507 1.00 0.00 C ATOM 1774 O ALA A 107 4.388 15.325 17.303 1.00 0.00 O ATOM 1775 CB ALA A 107 3.513 13.116 15.229 1.00 0.00 C ATOM 0 H ALA A 107 5.646 12.987 13.973 1.00 0.00 H new ATOM 0 HA ALA A 107 3.937 15.159 14.757 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.717 13.358 15.933 1.00 0.00 H new ATOM 0 HB2 ALA A 107 3.082 12.916 14.248 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.049 12.233 15.577 1.00 0.00 H new ATOM 1781 N VAL A 108 6.245 14.169 16.776 1.00 0.00 N ATOM 1782 CA VAL A 108 6.911 14.439 18.041 1.00 0.00 C ATOM 1783 C VAL A 108 7.979 15.514 17.863 1.00 0.00 C ATOM 1784 O VAL A 108 8.628 15.582 16.814 1.00 0.00 O ATOM 1785 CB VAL A 108 7.548 13.163 18.641 1.00 0.00 C ATOM 1786 CG1 VAL A 108 6.472 12.156 19.021 1.00 0.00 C ATOM 1787 CG2 VAL A 108 8.543 12.537 17.672 1.00 0.00 C ATOM 0 H VAL A 108 6.788 13.595 16.130 1.00 0.00 H new ATOM 0 HA VAL A 108 6.151 14.794 18.737 1.00 0.00 H new ATOM 0 HB VAL A 108 8.090 13.451 19.542 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.939 11.265 19.441 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.804 12.599 19.760 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.901 11.882 18.134 1.00 0.00 H new ATOM 0 HG21 VAL A 108 8.974 11.642 18.121 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.031 12.269 16.748 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.336 13.252 17.453 1.00 0.00 H new ATOM 1797 N GLN A 109 8.144 16.349 18.888 1.00 0.00 N ATOM 1798 CA GLN A 109 9.097 17.461 18.861 1.00 0.00 C ATOM 1799 C GLN A 109 8.750 18.442 17.742 1.00 0.00 C ATOM 1800 O GLN A 109 9.253 18.339 16.619 1.00 0.00 O ATOM 1801 CB GLN A 109 10.536 16.953 18.702 1.00 0.00 C ATOM 1802 CG GLN A 109 11.591 18.030 18.902 1.00 0.00 C ATOM 1803 CD GLN A 109 13.001 17.500 18.734 1.00 0.00 C ATOM 1804 OE1 GLN A 109 13.275 16.328 18.987 1.00 0.00 O ATOM 1805 NE2 GLN A 109 13.915 18.364 18.326 1.00 0.00 N ATOM 0 H GLN A 109 7.622 16.275 19.761 1.00 0.00 H new ATOM 0 HA GLN A 109 9.027 17.984 19.815 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.709 16.150 19.418 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.652 16.523 17.707 1.00 0.00 H new ATOM 0 HG2 GLN A 109 11.422 18.836 18.188 1.00 0.00 H new ATOM 0 HG3 GLN A 109 11.484 18.458 19.898 1.00 0.00 H new ATOM 0 HE21 GLN A 109 13.651 19.329 18.125 1.00 0.00 H new ATOM 0 HE22 GLN A 109 14.884 18.066 18.212 1.00 0.00 H new ATOM 1814 N LYS A 110 7.865 19.380 18.043 1.00 0.00 N ATOM 1815 CA LYS A 110 7.426 20.351 17.059 1.00 0.00 C ATOM 1816 C LYS A 110 7.968 21.737 17.379 1.00 0.00 C ATOM 1817 O LYS A 110 7.650 22.325 18.418 1.00 0.00 O ATOM 1818 CB LYS A 110 5.895 20.390 16.979 1.00 0.00 C ATOM 1819 CG LYS A 110 5.273 19.081 16.515 1.00 0.00 C ATOM 1820 CD LYS A 110 3.775 19.222 16.290 1.00 0.00 C ATOM 1821 CE LYS A 110 3.168 17.924 15.775 1.00 0.00 C ATOM 1822 NZ LYS A 110 1.724 18.067 15.452 1.00 0.00 N ATOM 0 H LYS A 110 7.438 19.487 18.963 1.00 0.00 H new ATOM 0 HA LYS A 110 7.819 20.042 16.090 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.495 20.644 17.961 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.596 21.186 16.297 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.752 18.758 15.591 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.459 18.306 17.258 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.290 19.507 17.224 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.586 20.023 15.575 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.707 17.601 14.884 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.295 17.143 16.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.354 17.159 15.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.203 18.349 16.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.603 18.793 14.717 1.00 0.00 H new ATOM 1836 N LEU A 111 8.810 22.243 16.496 1.00 0.00 N ATOM 1837 CA LEU A 111 9.290 23.609 16.596 1.00 0.00 C ATOM 1838 C LEU A 111 8.299 24.530 15.908 1.00 0.00 C ATOM 1839 O LEU A 111 7.754 24.179 14.858 1.00 0.00 O ATOM 1840 CB LEU A 111 10.672 23.744 15.951 1.00 0.00 C ATOM 1841 CG LEU A 111 11.785 22.929 16.611 1.00 0.00 C ATOM 1842 CD1 LEU A 111 13.072 23.042 15.810 1.00 0.00 C ATOM 1843 CD2 LEU A 111 12.010 23.396 18.040 1.00 0.00 C ATOM 0 H LEU A 111 9.177 21.725 15.698 1.00 0.00 H new ATOM 0 HA LEU A 111 9.380 23.883 17.647 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.597 23.446 14.905 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.959 24.796 15.963 1.00 0.00 H new ATOM 0 HG LEU A 111 11.480 21.883 16.632 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.854 22.456 16.293 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.907 22.664 14.801 1.00 0.00 H new ATOM 0 HD13 LEU A 111 13.379 24.087 15.761 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.805 22.805 18.495 1.00 0.00 H new ATOM 0 HD22 LEU A 111 12.295 24.448 18.038 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.091 23.270 18.613 1.00 0.00 H new ATOM 1855 N GLU A 112 8.049 25.691 16.495 1.00 0.00 N ATOM 1856 CA GLU A 112 7.106 26.628 15.913 1.00 0.00 C ATOM 1857 C GLU A 112 7.635 27.139 14.582 1.00 0.00 C ATOM 1858 O GLU A 112 8.848 27.226 14.373 1.00 0.00 O ATOM 1859 CB GLU A 112 6.826 27.795 16.864 1.00 0.00 C ATOM 1860 CG GLU A 112 5.342 27.997 17.157 1.00 0.00 C ATOM 1861 CD GLU A 112 4.546 28.449 15.943 1.00 0.00 C ATOM 1862 OE1 GLU A 112 4.376 27.654 14.994 1.00 0.00 O ATOM 1863 OE2 GLU A 112 4.084 29.609 15.930 1.00 0.00 O ATOM 0 H GLU A 112 8.482 26.003 17.364 1.00 0.00 H new ATOM 0 HA GLU A 112 6.165 26.105 15.743 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.354 27.624 17.802 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.231 28.710 16.433 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.922 27.063 17.531 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.233 28.736 17.950 1.00 0.00 H new ATOM 1870 N HIS A 113 6.715 27.470 13.694 1.00 0.00 N ATOM 1871 CA HIS A 113 7.050 27.898 12.342 1.00 0.00 C ATOM 1872 C HIS A 113 7.835 29.200 12.392 1.00 0.00 C ATOM 1873 O HIS A 113 8.631 29.502 11.502 1.00 0.00 O ATOM 1874 CB HIS A 113 5.773 28.055 11.516 1.00 0.00 C ATOM 1875 CG HIS A 113 4.905 26.830 11.546 1.00 0.00 C ATOM 1876 ND1 HIS A 113 4.019 26.566 12.567 1.00 0.00 N ATOM 1877 CD2 HIS A 113 4.812 25.781 10.693 1.00 0.00 C ATOM 1878 CE1 HIS A 113 3.420 25.413 12.342 1.00 0.00 C ATOM 1879 NE2 HIS A 113 3.882 24.913 11.212 1.00 0.00 N ATOM 0 H HIS A 113 5.714 27.451 13.887 1.00 0.00 H new ATOM 0 HA HIS A 113 7.674 27.143 11.864 1.00 0.00 H new ATOM 0 HB2 HIS A 113 5.205 28.906 11.892 1.00 0.00 H new ATOM 0 HB3 HIS A 113 6.039 28.281 10.483 1.00 0.00 H new ATOM 0 HD1 HIS A 113 3.852 27.169 13.373 1.00 0.00 H new ATOM 0 HD2 HIS A 113 5.366 25.651 9.775 1.00 0.00 H new ATOM 0 HE1 HIS A 113 2.676 24.955 12.977 1.00 0.00 H new ATOM 1888 N HIS A 114 7.594 29.968 13.440 1.00 0.00 N ATOM 1889 CA HIS A 114 8.444 31.096 13.780 1.00 0.00 C ATOM 1890 C HIS A 114 9.412 30.656 14.868 1.00 0.00 C ATOM 1891 O HIS A 114 9.009 30.449 16.014 1.00 0.00 O ATOM 1892 CB HIS A 114 7.616 32.291 14.260 1.00 0.00 C ATOM 1893 CG HIS A 114 6.852 32.980 13.172 1.00 0.00 C ATOM 1894 ND1 HIS A 114 5.570 32.633 12.814 1.00 0.00 N ATOM 1895 CD2 HIS A 114 7.200 34.007 12.360 1.00 0.00 C ATOM 1896 CE1 HIS A 114 5.161 33.413 11.834 1.00 0.00 C ATOM 1897 NE2 HIS A 114 6.131 34.257 11.536 1.00 0.00 N ATOM 0 H HIS A 114 6.809 29.829 14.076 1.00 0.00 H new ATOM 0 HA HIS A 114 8.991 31.414 12.892 1.00 0.00 H new ATOM 0 HB2 HIS A 114 6.915 31.951 15.023 1.00 0.00 H new ATOM 0 HB3 HIS A 114 8.280 33.012 14.736 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.144 34.532 12.361 1.00 0.00 H new ATOM 0 HE1 HIS A 114 4.194 33.369 11.355 1.00 0.00 H new ATOM 0 HE2 HIS A 114 6.093 34.976 10.813 1.00 0.00 H new ATOM 1906 N HIS A 115 10.677 30.484 14.506 1.00 0.00 N ATOM 1907 CA HIS A 115 11.674 29.957 15.434 1.00 0.00 C ATOM 1908 C HIS A 115 12.077 30.996 16.476 1.00 0.00 C ATOM 1909 O HIS A 115 13.188 31.526 16.457 1.00 0.00 O ATOM 1910 CB HIS A 115 12.907 29.447 14.683 1.00 0.00 C ATOM 1911 CG HIS A 115 12.695 28.124 14.008 1.00 0.00 C ATOM 1912 ND1 HIS A 115 13.545 27.053 14.171 1.00 0.00 N ATOM 1913 CD2 HIS A 115 11.725 27.702 13.162 1.00 0.00 C ATOM 1914 CE1 HIS A 115 13.109 26.032 13.457 1.00 0.00 C ATOM 1915 NE2 HIS A 115 12.006 26.399 12.836 1.00 0.00 N ATOM 0 H HIS A 115 11.038 30.701 13.577 1.00 0.00 H new ATOM 0 HA HIS A 115 11.216 29.118 15.958 1.00 0.00 H new ATOM 0 HB2 HIS A 115 13.197 30.185 13.935 1.00 0.00 H new ATOM 0 HB3 HIS A 115 13.738 29.359 15.383 1.00 0.00 H new ATOM 0 HD2 HIS A 115 10.886 28.283 12.809 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.577 25.061 13.393 1.00 0.00 H new ATOM 0 HE2 HIS A 115 11.452 25.810 12.214 1.00 0.00 H new ATOM 1924 N HIS A 116 11.145 31.298 17.365 1.00 0.00 N ATOM 1925 CA HIS A 116 11.397 32.214 18.467 1.00 0.00 C ATOM 1926 C HIS A 116 10.720 31.696 19.731 1.00 0.00 C ATOM 1927 O HIS A 116 10.926 32.223 20.824 1.00 0.00 O ATOM 1928 CB HIS A 116 10.869 33.610 18.122 1.00 0.00 C ATOM 1929 CG HIS A 116 11.599 34.728 18.807 1.00 0.00 C ATOM 1930 ND1 HIS A 116 11.291 35.183 20.072 1.00 0.00 N ATOM 1931 CD2 HIS A 116 12.630 35.495 18.379 1.00 0.00 C ATOM 1932 CE1 HIS A 116 12.098 36.180 20.388 1.00 0.00 C ATOM 1933 NE2 HIS A 116 12.921 36.388 19.378 1.00 0.00 N ATOM 0 H HIS A 116 10.198 30.918 17.345 1.00 0.00 H new ATOM 0 HA HIS A 116 12.471 32.279 18.638 1.00 0.00 H new ATOM 0 HB2 HIS A 116 10.934 33.755 17.044 1.00 0.00 H new ATOM 0 HB3 HIS A 116 9.813 33.663 18.388 1.00 0.00 H new ATOM 0 HD2 HIS A 116 13.131 35.417 17.425 1.00 0.00 H new ATOM 0 HE1 HIS A 116 12.086 36.732 21.316 1.00 0.00 H new ATOM 0 HE2 HIS A 116 13.654 37.097 19.346 1.00 0.00 H new ATOM 1942 N HIS A 117 9.906 30.654 19.575 1.00 0.00 N ATOM 1943 CA HIS A 117 9.161 30.090 20.692 1.00 0.00 C ATOM 1944 C HIS A 117 9.200 28.569 20.688 1.00 0.00 C ATOM 1945 O HIS A 117 8.807 27.924 19.714 1.00 0.00 O ATOM 1946 CB HIS A 117 7.702 30.553 20.667 1.00 0.00 C ATOM 1947 CG HIS A 117 7.382 31.602 21.687 1.00 0.00 C ATOM 1948 ND1 HIS A 117 7.221 31.324 23.029 1.00 0.00 N ATOM 1949 CD2 HIS A 117 7.184 32.932 21.555 1.00 0.00 C ATOM 1950 CE1 HIS A 117 6.937 32.440 23.675 1.00 0.00 C ATOM 1951 NE2 HIS A 117 6.910 33.432 22.803 1.00 0.00 N ATOM 0 H HIS A 117 9.747 30.185 18.683 1.00 0.00 H new ATOM 0 HA HIS A 117 9.642 30.449 21.602 1.00 0.00 H new ATOM 0 HB2 HIS A 117 7.471 30.942 19.675 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.055 29.691 20.830 1.00 0.00 H new ATOM 0 HD2 HIS A 117 7.232 33.498 20.636 1.00 0.00 H new ATOM 0 HE1 HIS A 117 6.757 32.527 24.736 1.00 0.00 H new ATOM 0 HE2 HIS A 117 6.717 34.409 23.022 1.00 0.00 H new ATOM 1960 N HIS A 118 9.699 28.017 21.781 1.00 0.00 N ATOM 1961 CA HIS A 118 9.638 26.588 22.047 1.00 0.00 C ATOM 1962 C HIS A 118 10.083 26.347 23.482 1.00 0.00 C ATOM 1963 O HIS A 118 11.282 26.083 23.703 1.00 0.00 O ATOM 1964 CB HIS A 118 10.512 25.784 21.069 1.00 0.00 C ATOM 1965 CG HIS A 118 10.430 24.295 21.274 1.00 0.00 C ATOM 1966 ND1 HIS A 118 9.456 23.503 20.701 1.00 0.00 N ATOM 1967 CD2 HIS A 118 11.200 23.459 22.010 1.00 0.00 C ATOM 1968 CE1 HIS A 118 9.632 22.250 21.081 1.00 0.00 C ATOM 1969 NE2 HIS A 118 10.683 22.194 21.877 1.00 0.00 N ATOM 1970 OXT HIS A 118 9.239 26.477 24.387 1.00 0.00 O ATOM 0 H HIS A 118 10.162 28.552 22.516 1.00 0.00 H new ATOM 0 HA HIS A 118 8.613 26.246 21.906 1.00 0.00 H new ATOM 0 HB2 HIS A 118 10.211 26.019 20.048 1.00 0.00 H new ATOM 0 HB3 HIS A 118 11.549 26.101 21.177 1.00 0.00 H new ATOM 0 HD2 HIS A 118 12.064 23.737 22.595 1.00 0.00 H new ATOM 0 HE1 HIS A 118 9.018 21.411 20.789 1.00 0.00 H new ATOM 0 HE2 HIS A 118 11.050 21.352 22.320 1.00 0.00 H new TER 1979 HIS A 118