USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 845 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 41 HIS : no HD1:sc= -9.03! C(o=-8.8!,f=-8.7!) USER MOD Set 1.2: A 74 TYR OH : rot -92:sc= 0.196 USER MOD Set 2.1: A 36 SER OG : rot 31:sc= 0.37 USER MOD Set 2.2: A 38 HIS : no HD1:sc= 0.312 K(o=1.4,f=-3.8!) USER MOD Set 2.3: A 75 SER OG : rot -167:sc= 0.693 USER MOD Set 3.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 33 SER OG : rot -80:sc= 0.128 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0623 (180deg=0) USER MOD Single : A 2 SER OG : rot 14:sc= 0.812 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.392 K(o=-0.39,f=-2.5) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 151:sc= 0.0559 USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0341) USER MOD Single : A 49 SER OG : rot -114:sc= 0.823 USER MOD Single : A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.722 X(o=-0.72,f=-0.9) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS :FLIP no HE2:sc= -7.74! C(o=-9.6!,f=-7.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00222 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 80 ASN :FLIP amide:sc=-0.00346 F(o=-0.72,f=-0.0035) USER MOD Single : A 85 THR OG1 : rot 55:sc= 0.814 USER MOD Single : A 86 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.53) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.529 USER MOD Single : A 95 ASN : amide:sc= -2.75! C(o=-2.7!,f=-13!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -152:sc= 0.948 USER MOD Single : A 105 MET CE :methyl -163:sc= -0.022 (180deg=-0.257) USER MOD Single : A 110 THR OG1 : rot -129:sc= 0.214 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.268) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 49:sc= 0.676 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.395 47.638 -21.250 1.00 0.00 N ATOM 2 CA GLY A 1 20.962 47.706 -19.915 1.00 0.00 C ATOM 3 C GLY A 1 21.228 46.334 -19.328 1.00 0.00 C ATOM 4 O GLY A 1 21.305 45.344 -20.055 1.00 0.00 O ATOM 0 H1 GLY A 1 20.878 48.322 -21.867 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.520 46.679 -21.632 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.381 47.865 -21.208 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.894 48.271 -19.948 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.281 48.252 -19.262 1.00 0.00 H new ATOM 8 N SER A 2 21.370 46.275 -18.008 1.00 0.00 N ATOM 9 CA SER A 2 21.634 45.015 -17.323 1.00 0.00 C ATOM 10 C SER A 2 21.268 45.112 -15.845 1.00 0.00 C ATOM 11 O SER A 2 21.784 45.962 -15.121 1.00 0.00 O ATOM 12 CB SER A 2 23.108 44.630 -17.470 1.00 0.00 C ATOM 13 OG SER A 2 23.387 44.176 -18.784 1.00 0.00 O ATOM 0 H SER A 2 21.307 47.085 -17.391 1.00 0.00 H new ATOM 0 HA SER A 2 21.016 44.244 -17.783 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.737 45.489 -17.237 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.357 43.849 -16.751 1.00 0.00 H new ATOM 0 HG SER A 2 22.641 44.408 -19.375 1.00 0.00 H new ATOM 19 N SER A 3 20.372 44.234 -15.405 1.00 0.00 N ATOM 20 CA SER A 3 19.932 44.222 -14.015 1.00 0.00 C ATOM 21 C SER A 3 20.057 42.824 -13.418 1.00 0.00 C ATOM 22 O SER A 3 20.009 41.824 -14.133 1.00 0.00 O ATOM 23 CB SER A 3 18.484 44.706 -13.912 1.00 0.00 C ATOM 24 OG SER A 3 18.172 45.102 -12.588 1.00 0.00 O ATOM 0 H SER A 3 19.937 43.522 -15.991 1.00 0.00 H new ATOM 0 HA SER A 3 20.574 44.898 -13.450 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.328 45.544 -14.592 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.808 43.911 -14.226 1.00 0.00 H new ATOM 0 HG SER A 3 17.242 45.409 -12.549 1.00 0.00 H new ATOM 30 N GLY A 4 20.217 42.763 -12.099 1.00 0.00 N ATOM 31 CA GLY A 4 20.347 41.483 -11.426 1.00 0.00 C ATOM 32 C GLY A 4 19.900 41.541 -9.979 1.00 0.00 C ATOM 33 O GLY A 4 20.043 42.571 -9.319 1.00 0.00 O ATOM 0 H GLY A 4 20.259 43.576 -11.485 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.756 40.736 -11.956 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.386 41.157 -11.469 1.00 0.00 H new ATOM 37 N SER A 5 19.357 40.434 -9.484 1.00 0.00 N ATOM 38 CA SER A 5 18.883 40.365 -8.107 1.00 0.00 C ATOM 39 C SER A 5 19.840 39.550 -7.243 1.00 0.00 C ATOM 40 O SER A 5 20.450 38.588 -7.710 1.00 0.00 O ATOM 41 CB SER A 5 17.483 39.749 -8.057 1.00 0.00 C ATOM 42 OG SER A 5 17.471 38.462 -8.651 1.00 0.00 O ATOM 0 H SER A 5 19.234 39.572 -10.016 1.00 0.00 H new ATOM 0 HA SER A 5 18.840 41.380 -7.713 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.150 39.678 -7.022 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.778 40.399 -8.575 1.00 0.00 H new ATOM 0 HG SER A 5 16.566 38.089 -8.605 1.00 0.00 H new ATOM 48 N SER A 6 19.967 39.942 -5.979 1.00 0.00 N ATOM 49 CA SER A 6 20.853 39.252 -5.049 1.00 0.00 C ATOM 50 C SER A 6 20.053 38.401 -4.067 1.00 0.00 C ATOM 51 O SER A 6 20.349 38.367 -2.874 1.00 0.00 O ATOM 52 CB SER A 6 21.712 40.261 -4.285 1.00 0.00 C ATOM 53 OG SER A 6 22.920 40.529 -4.976 1.00 0.00 O ATOM 0 H SER A 6 19.467 40.734 -5.576 1.00 0.00 H new ATOM 0 HA SER A 6 21.504 38.595 -5.626 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.155 41.188 -4.148 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.936 39.874 -3.291 1.00 0.00 H new ATOM 0 HG SER A 6 23.450 41.178 -4.468 1.00 0.00 H new ATOM 59 N GLY A 7 19.036 37.715 -4.580 1.00 0.00 N ATOM 60 CA GLY A 7 18.208 36.873 -3.735 1.00 0.00 C ATOM 61 C GLY A 7 17.418 35.853 -4.530 1.00 0.00 C ATOM 62 O GLY A 7 16.245 36.066 -4.836 1.00 0.00 O ATOM 0 H GLY A 7 18.771 37.727 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.839 36.356 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.520 37.499 -3.167 1.00 0.00 H new ATOM 66 N VAL A 8 18.063 34.740 -4.868 1.00 0.00 N ATOM 67 CA VAL A 8 17.413 33.683 -5.633 1.00 0.00 C ATOM 68 C VAL A 8 16.532 32.819 -4.738 1.00 0.00 C ATOM 69 O VAL A 8 16.973 32.335 -3.696 1.00 0.00 O ATOM 70 CB VAL A 8 18.447 32.784 -6.338 1.00 0.00 C ATOM 71 CG1 VAL A 8 17.752 31.659 -7.089 1.00 0.00 C ATOM 72 CG2 VAL A 8 19.315 33.607 -7.277 1.00 0.00 C ATOM 0 H VAL A 8 19.035 34.548 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 8 16.794 34.172 -6.385 1.00 0.00 H new ATOM 0 HB VAL A 8 19.092 32.338 -5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.498 31.035 -7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.177 31.054 -6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.082 32.081 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.040 32.956 -7.767 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.687 34.082 -8.030 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.842 34.373 -6.708 1.00 0.00 H new ATOM 82 N ALA A 9 15.283 32.629 -5.151 1.00 0.00 N ATOM 83 CA ALA A 9 14.340 31.821 -4.388 1.00 0.00 C ATOM 84 C ALA A 9 13.424 31.027 -5.313 1.00 0.00 C ATOM 85 O ALA A 9 12.897 31.560 -6.290 1.00 0.00 O ATOM 86 CB ALA A 9 13.519 32.704 -3.461 1.00 0.00 C ATOM 0 H ALA A 9 14.901 33.024 -6.010 1.00 0.00 H new ATOM 0 HA ALA A 9 14.910 31.112 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.819 32.088 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.183 33.223 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.966 33.435 -4.050 1.00 0.00 H new ATOM 92 N VAL A 10 13.239 29.748 -5.000 1.00 0.00 N ATOM 93 CA VAL A 10 12.386 28.880 -5.803 1.00 0.00 C ATOM 94 C VAL A 10 10.924 29.017 -5.396 1.00 0.00 C ATOM 95 O VAL A 10 10.616 29.365 -4.255 1.00 0.00 O ATOM 96 CB VAL A 10 12.808 27.404 -5.673 1.00 0.00 C ATOM 97 CG1 VAL A 10 14.228 27.208 -6.179 1.00 0.00 C ATOM 98 CG2 VAL A 10 12.677 26.938 -4.231 1.00 0.00 C ATOM 0 H VAL A 10 13.669 29.290 -4.196 1.00 0.00 H new ATOM 0 HA VAL A 10 12.502 29.194 -6.840 1.00 0.00 H new ATOM 0 HB VAL A 10 12.143 26.798 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.508 26.159 -6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.284 27.500 -7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.911 27.823 -5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.979 25.893 -4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.317 27.547 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.641 27.040 -3.909 1.00 0.00 H new ATOM 108 N ILE A 11 10.025 28.741 -6.335 1.00 0.00 N ATOM 109 CA ILE A 11 8.594 28.832 -6.073 1.00 0.00 C ATOM 110 C ILE A 11 7.908 27.489 -6.296 1.00 0.00 C ATOM 111 O ILE A 11 7.934 26.942 -7.397 1.00 0.00 O ATOM 112 CB ILE A 11 7.925 29.892 -6.968 1.00 0.00 C ATOM 113 CG1 ILE A 11 8.562 31.264 -6.735 1.00 0.00 C ATOM 114 CG2 ILE A 11 6.429 29.944 -6.698 1.00 0.00 C ATOM 115 CD1 ILE A 11 8.218 32.279 -7.802 1.00 0.00 C ATOM 0 H ILE A 11 10.263 28.453 -7.284 1.00 0.00 H new ATOM 0 HA ILE A 11 8.482 29.126 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 11 8.077 29.614 -8.011 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.241 31.645 -5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.645 31.150 -6.689 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.970 30.698 -7.338 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.987 28.970 -6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.257 30.201 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.704 33.227 -7.572 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.564 31.920 -8.771 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.138 32.423 -7.833 1.00 0.00 H new ATOM 127 N ASN A 12 7.293 26.963 -5.242 1.00 0.00 N ATOM 128 CA ASN A 12 6.598 25.683 -5.322 1.00 0.00 C ATOM 129 C ASN A 12 5.085 25.885 -5.315 1.00 0.00 C ATOM 130 O ASN A 12 4.555 26.657 -4.516 1.00 0.00 O ATOM 131 CB ASN A 12 7.009 24.782 -4.156 1.00 0.00 C ATOM 132 CG ASN A 12 8.492 24.873 -3.850 1.00 0.00 C ATOM 133 OD1 ASN A 12 9.290 25.262 -4.703 1.00 0.00 O ATOM 134 ND2 ASN A 12 8.867 24.512 -2.628 1.00 0.00 N ATOM 0 H ASN A 12 7.262 27.403 -4.322 1.00 0.00 H new ATOM 0 HA ASN A 12 6.879 25.203 -6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.440 25.059 -3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.752 23.749 -4.390 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.852 24.551 -2.364 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.170 24.196 -1.953 1.00 0.00 H new ATOM 141 N SER A 13 4.396 25.183 -6.209 1.00 0.00 N ATOM 142 CA SER A 13 2.945 25.287 -6.309 1.00 0.00 C ATOM 143 C SER A 13 2.266 24.147 -5.555 1.00 0.00 C ATOM 144 O SER A 13 2.139 23.037 -6.070 1.00 0.00 O ATOM 145 CB SER A 13 2.511 25.273 -7.776 1.00 0.00 C ATOM 146 OG SER A 13 1.289 25.969 -7.952 1.00 0.00 O ATOM 0 H SER A 13 4.819 24.536 -6.874 1.00 0.00 H new ATOM 0 HA SER A 13 2.641 26.231 -5.857 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.285 25.730 -8.392 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.399 24.243 -8.116 1.00 0.00 H new ATOM 0 HG SER A 13 1.034 25.947 -8.898 1.00 0.00 H new ATOM 152 N ALA A 14 1.832 24.431 -4.331 1.00 0.00 N ATOM 153 CA ALA A 14 1.165 23.432 -3.507 1.00 0.00 C ATOM 154 C ALA A 14 0.419 24.085 -2.348 1.00 0.00 C ATOM 155 O ALA A 14 0.908 25.039 -1.743 1.00 0.00 O ATOM 156 CB ALA A 14 2.173 22.420 -2.983 1.00 0.00 C ATOM 0 H ALA A 14 1.931 25.345 -3.889 1.00 0.00 H new ATOM 0 HA ALA A 14 0.436 22.913 -4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.660 21.680 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.658 21.922 -3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.924 22.932 -2.382 1.00 0.00 H new ATOM 162 N GLN A 15 -0.767 23.567 -2.046 1.00 0.00 N ATOM 163 CA GLN A 15 -1.581 24.102 -0.961 1.00 0.00 C ATOM 164 C GLN A 15 -1.108 23.569 0.388 1.00 0.00 C ATOM 165 O GLN A 15 -1.133 24.282 1.391 1.00 0.00 O ATOM 166 CB GLN A 15 -3.053 23.746 -1.175 1.00 0.00 C ATOM 167 CG GLN A 15 -3.312 22.250 -1.253 1.00 0.00 C ATOM 168 CD GLN A 15 -4.770 21.923 -1.507 1.00 0.00 C ATOM 169 OE1 GLN A 15 -5.665 22.511 -0.900 1.00 0.00 O ATOM 170 NE2 GLN A 15 -5.017 20.981 -2.410 1.00 0.00 N ATOM 0 H GLN A 15 -1.186 22.777 -2.537 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.473 25.187 -0.961 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.642 24.166 -0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.402 24.215 -2.095 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.703 21.821 -2.049 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.995 21.781 -0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.244 20.519 -2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.979 20.719 -2.624 1.00 0.00 H new ATOM 179 N ASP A 16 -0.677 22.313 0.403 1.00 0.00 N ATOM 180 CA ASP A 16 -0.197 21.684 1.629 1.00 0.00 C ATOM 181 C ASP A 16 0.391 20.307 1.339 1.00 0.00 C ATOM 182 O ASP A 16 0.294 19.802 0.221 1.00 0.00 O ATOM 183 CB ASP A 16 -1.334 21.563 2.644 1.00 0.00 C ATOM 184 CG ASP A 16 -0.838 21.595 4.076 1.00 0.00 C ATOM 185 OD1 ASP A 16 0.325 21.998 4.293 1.00 0.00 O ATOM 186 OD2 ASP A 16 -1.612 21.218 4.980 1.00 0.00 O ATOM 0 H ASP A 16 -0.650 21.710 -0.419 1.00 0.00 H new ATOM 0 HA ASP A 16 0.588 22.314 2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.043 22.377 2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.874 20.632 2.471 1.00 0.00 H new ATOM 191 N ALA A 17 1.003 19.705 2.353 1.00 0.00 N ATOM 192 CA ALA A 17 1.606 18.386 2.208 1.00 0.00 C ATOM 193 C ALA A 17 1.633 17.644 3.540 1.00 0.00 C ATOM 194 O ALA A 17 1.836 18.233 4.602 1.00 0.00 O ATOM 195 CB ALA A 17 3.013 18.509 1.641 1.00 0.00 C ATOM 0 H ALA A 17 1.094 20.110 3.285 1.00 0.00 H new ATOM 0 HA ALA A 17 0.995 17.809 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.452 17.517 1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.971 18.990 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.626 19.108 2.315 1.00 0.00 H new ATOM 201 N PRO A 18 1.423 16.321 3.485 1.00 0.00 N ATOM 202 CA PRO A 18 1.418 15.470 4.679 1.00 0.00 C ATOM 203 C PRO A 18 2.807 15.324 5.292 1.00 0.00 C ATOM 204 O PRO A 18 3.804 15.227 4.578 1.00 0.00 O ATOM 205 CB PRO A 18 0.922 14.122 4.152 1.00 0.00 C ATOM 206 CG PRO A 18 1.284 14.123 2.708 1.00 0.00 C ATOM 207 CD PRO A 18 1.175 15.552 2.254 1.00 0.00 C ATOM 0 HA PRO A 18 0.799 15.886 5.474 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.395 13.293 4.678 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.154 14.015 4.290 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.294 13.742 2.559 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.614 13.480 2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.907 15.785 1.481 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.191 15.767 1.837 1.00 0.00 H new ATOM 215 N SER A 19 2.864 15.307 6.620 1.00 0.00 N ATOM 216 CA SER A 19 4.131 15.176 7.329 1.00 0.00 C ATOM 217 C SER A 19 4.114 13.960 8.251 1.00 0.00 C ATOM 218 O SER A 19 5.156 13.371 8.538 1.00 0.00 O ATOM 219 CB SER A 19 4.420 16.441 8.140 1.00 0.00 C ATOM 220 OG SER A 19 5.590 16.287 8.925 1.00 0.00 O ATOM 0 H SER A 19 2.047 15.382 7.226 1.00 0.00 H new ATOM 0 HA SER A 19 4.920 15.039 6.590 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.539 17.289 7.466 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.571 16.664 8.786 1.00 0.00 H new ATOM 0 HG SER A 19 5.754 17.109 9.433 1.00 0.00 H new ATOM 226 N GLU A 20 2.923 13.592 8.713 1.00 0.00 N ATOM 227 CA GLU A 20 2.770 12.447 9.603 1.00 0.00 C ATOM 228 C GLU A 20 2.421 11.188 8.815 1.00 0.00 C ATOM 229 O GLU A 20 1.726 11.250 7.802 1.00 0.00 O ATOM 230 CB GLU A 20 1.687 12.726 10.647 1.00 0.00 C ATOM 231 CG GLU A 20 1.313 11.509 11.476 1.00 0.00 C ATOM 232 CD GLU A 20 2.459 11.014 12.336 1.00 0.00 C ATOM 233 OE1 GLU A 20 3.548 10.755 11.782 1.00 0.00 O ATOM 234 OE2 GLU A 20 2.267 10.885 13.563 1.00 0.00 O ATOM 0 H GLU A 20 2.051 14.070 8.486 1.00 0.00 H new ATOM 0 HA GLU A 20 3.721 12.284 10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.032 13.517 11.313 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.796 13.100 10.143 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.465 11.756 12.115 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.989 10.707 10.812 1.00 0.00 H new ATOM 241 N ALA A 21 2.909 10.046 9.289 1.00 0.00 N ATOM 242 CA ALA A 21 2.648 8.772 8.631 1.00 0.00 C ATOM 243 C ALA A 21 1.646 7.940 9.424 1.00 0.00 C ATOM 244 O ALA A 21 1.573 8.015 10.651 1.00 0.00 O ATOM 245 CB ALA A 21 3.946 8.000 8.442 1.00 0.00 C ATOM 0 H ALA A 21 3.487 9.977 10.126 1.00 0.00 H new ATOM 0 HA ALA A 21 2.215 8.978 7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.736 7.051 7.949 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.631 8.584 7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.402 7.812 9.414 1.00 0.00 H new ATOM 251 N PRO A 22 0.854 7.127 8.709 1.00 0.00 N ATOM 252 CA PRO A 22 -0.158 6.265 9.326 1.00 0.00 C ATOM 253 C PRO A 22 0.461 5.122 10.123 1.00 0.00 C ATOM 254 O PRO A 22 1.154 4.268 9.568 1.00 0.00 O ATOM 255 CB PRO A 22 -0.938 5.720 8.127 1.00 0.00 C ATOM 256 CG PRO A 22 0.022 5.782 6.990 1.00 0.00 C ATOM 257 CD PRO A 22 0.887 6.986 7.244 1.00 0.00 C ATOM 0 HA PRO A 22 -0.774 6.809 10.042 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.275 4.699 8.305 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.827 6.319 7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.623 4.874 6.936 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.504 5.873 6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.903 6.836 6.878 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.497 7.874 6.746 1.00 0.00 H new ATOM 265 N THR A 23 0.208 5.110 11.428 1.00 0.00 N ATOM 266 CA THR A 23 0.741 4.073 12.301 1.00 0.00 C ATOM 267 C THR A 23 -0.291 2.978 12.547 1.00 0.00 C ATOM 268 O THR A 23 -1.407 3.037 12.033 1.00 0.00 O ATOM 269 CB THR A 23 1.189 4.654 13.655 1.00 0.00 C ATOM 270 OG1 THR A 23 1.642 6.001 13.484 1.00 0.00 O ATOM 271 CG2 THR A 23 2.302 3.812 14.263 1.00 0.00 C ATOM 0 H THR A 23 -0.364 5.808 11.904 1.00 0.00 H new ATOM 0 HA THR A 23 1.606 3.646 11.793 1.00 0.00 H new ATOM 0 HB THR A 23 0.335 4.642 14.332 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.923 6.364 14.350 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.602 4.241 15.219 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.945 2.794 14.419 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.157 3.797 13.587 1.00 0.00 H new ATOM 279 N GLU A 24 0.090 1.979 13.338 1.00 0.00 N ATOM 280 CA GLU A 24 -0.804 0.870 13.652 1.00 0.00 C ATOM 281 C GLU A 24 -1.398 0.274 12.379 1.00 0.00 C ATOM 282 O GLU A 24 -2.568 -0.109 12.347 1.00 0.00 O ATOM 283 CB GLU A 24 -1.926 1.338 14.581 1.00 0.00 C ATOM 284 CG GLU A 24 -1.532 1.357 16.048 1.00 0.00 C ATOM 285 CD GLU A 24 -2.708 1.636 16.964 1.00 0.00 C ATOM 286 OE1 GLU A 24 -3.321 2.716 16.833 1.00 0.00 O ATOM 287 OE2 GLU A 24 -3.016 0.772 17.813 1.00 0.00 O ATOM 0 H GLU A 24 1.011 1.915 13.773 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.222 0.099 14.157 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.238 2.339 14.284 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.789 0.684 14.453 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.089 0.397 16.314 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.766 2.116 16.205 1.00 0.00 H new ATOM 294 N VAL A 25 -0.584 0.199 11.331 1.00 0.00 N ATOM 295 CA VAL A 25 -1.028 -0.350 10.056 1.00 0.00 C ATOM 296 C VAL A 25 -0.618 -1.812 9.915 1.00 0.00 C ATOM 297 O VAL A 25 0.547 -2.162 10.097 1.00 0.00 O ATOM 298 CB VAL A 25 -0.454 0.448 8.870 1.00 0.00 C ATOM 299 CG1 VAL A 25 1.050 0.620 9.020 1.00 0.00 C ATOM 300 CG2 VAL A 25 -0.793 -0.235 7.554 1.00 0.00 C ATOM 0 H VAL A 25 0.387 0.512 11.340 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.115 -0.276 10.042 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.910 1.438 8.866 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.438 1.186 8.173 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.264 1.157 9.944 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.527 -0.360 9.051 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.380 0.343 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.367 -1.238 7.544 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.876 -0.300 7.446 1.00 0.00 H new ATOM 310 N GLY A 26 -1.586 -2.664 9.589 1.00 0.00 N ATOM 311 CA GLY A 26 -1.307 -4.079 9.429 1.00 0.00 C ATOM 312 C GLY A 26 -1.992 -4.671 8.213 1.00 0.00 C ATOM 313 O GLY A 26 -2.680 -3.967 7.474 1.00 0.00 O ATOM 0 H GLY A 26 -2.559 -2.399 9.433 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.230 -4.227 9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.632 -4.614 10.322 1.00 0.00 H new ATOM 317 N VAL A 27 -1.802 -5.970 8.003 1.00 0.00 N ATOM 318 CA VAL A 27 -2.406 -6.657 6.868 1.00 0.00 C ATOM 319 C VAL A 27 -2.945 -8.024 7.276 1.00 0.00 C ATOM 320 O VAL A 27 -2.249 -8.811 7.918 1.00 0.00 O ATOM 321 CB VAL A 27 -1.397 -6.837 5.719 1.00 0.00 C ATOM 322 CG1 VAL A 27 -0.838 -5.492 5.282 1.00 0.00 C ATOM 323 CG2 VAL A 27 -0.277 -7.778 6.137 1.00 0.00 C ATOM 0 H VAL A 27 -1.235 -6.567 8.604 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.230 -6.033 6.523 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.916 -7.280 4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.127 -5.640 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.652 -4.853 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.334 -5.017 6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.427 -7.894 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.242 -7.365 7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.696 -8.750 6.396 1.00 0.00 H new ATOM 333 N LYS A 28 -4.188 -8.300 6.899 1.00 0.00 N ATOM 334 CA LYS A 28 -4.822 -9.573 7.223 1.00 0.00 C ATOM 335 C LYS A 28 -5.045 -10.406 5.965 1.00 0.00 C ATOM 336 O LYS A 28 -5.620 -9.929 4.987 1.00 0.00 O ATOM 337 CB LYS A 28 -6.156 -9.336 7.934 1.00 0.00 C ATOM 338 CG LYS A 28 -6.859 -10.616 8.352 1.00 0.00 C ATOM 339 CD LYS A 28 -8.332 -10.375 8.638 1.00 0.00 C ATOM 340 CE LYS A 28 -9.057 -11.675 8.953 1.00 0.00 C ATOM 341 NZ LYS A 28 -10.533 -11.485 9.012 1.00 0.00 N ATOM 0 H LYS A 28 -4.778 -7.659 6.368 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.156 -10.123 7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.983 -8.721 8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.814 -8.769 7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.758 -11.362 7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.377 -11.024 9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.433 -9.688 9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.798 -9.897 7.776 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.816 -12.419 8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.703 -12.067 9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.992 -12.393 9.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.765 -10.794 9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.875 -11.135 8.094 1.00 0.00 H new ATOM 355 N VAL A 29 -4.588 -11.654 5.998 1.00 0.00 N ATOM 356 CA VAL A 29 -4.740 -12.554 4.861 1.00 0.00 C ATOM 357 C VAL A 29 -6.089 -13.263 4.899 1.00 0.00 C ATOM 358 O VAL A 29 -6.354 -14.070 5.790 1.00 0.00 O ATOM 359 CB VAL A 29 -3.619 -13.609 4.826 1.00 0.00 C ATOM 360 CG1 VAL A 29 -3.790 -14.531 3.629 1.00 0.00 C ATOM 361 CG2 VAL A 29 -2.255 -12.936 4.801 1.00 0.00 C ATOM 0 H VAL A 29 -4.110 -12.065 6.800 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.679 -11.941 3.962 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.684 -14.213 5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.989 -15.270 3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.752 -15.040 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.753 -13.945 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.474 -13.696 4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.176 -12.306 3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.136 -12.322 5.694 1.00 0.00 H new ATOM 371 N LEU A 30 -6.939 -12.956 3.925 1.00 0.00 N ATOM 372 CA LEU A 30 -8.263 -13.565 3.845 1.00 0.00 C ATOM 373 C LEU A 30 -8.214 -14.874 3.065 1.00 0.00 C ATOM 374 O LEU A 30 -8.534 -15.937 3.596 1.00 0.00 O ATOM 375 CB LEU A 30 -9.250 -12.601 3.185 1.00 0.00 C ATOM 376 CG LEU A 30 -9.297 -11.187 3.765 1.00 0.00 C ATOM 377 CD1 LEU A 30 -10.090 -10.262 2.854 1.00 0.00 C ATOM 378 CD2 LEU A 30 -9.897 -11.204 5.164 1.00 0.00 C ATOM 0 H LEU A 30 -6.736 -12.290 3.180 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.599 -13.781 4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.004 -12.530 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.249 -13.033 3.252 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.277 -10.809 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.113 -9.260 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.618 -10.226 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.109 -10.636 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.923 -10.189 5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.911 -11.602 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.288 -11.833 5.814 1.00 0.00 H new ATOM 390 N SER A 31 -7.809 -14.790 1.801 1.00 0.00 N ATOM 391 CA SER A 31 -7.719 -15.968 0.947 1.00 0.00 C ATOM 392 C SER A 31 -6.395 -15.989 0.189 1.00 0.00 C ATOM 393 O SER A 31 -5.596 -15.058 0.286 1.00 0.00 O ATOM 394 CB SER A 31 -8.886 -15.997 -0.042 1.00 0.00 C ATOM 395 OG SER A 31 -10.089 -16.382 0.601 1.00 0.00 O ATOM 0 H SER A 31 -7.538 -13.918 1.346 1.00 0.00 H new ATOM 0 HA SER A 31 -7.768 -16.852 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.010 -15.012 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.664 -16.692 -0.851 1.00 0.00 H new ATOM 0 HG SER A 31 -10.851 -15.973 0.141 1.00 0.00 H new ATOM 401 N SER A 32 -6.171 -17.059 -0.567 1.00 0.00 N ATOM 402 CA SER A 32 -4.943 -17.206 -1.340 1.00 0.00 C ATOM 403 C SER A 32 -4.778 -16.050 -2.322 1.00 0.00 C ATOM 404 O SER A 32 -3.664 -15.725 -2.734 1.00 0.00 O ATOM 405 CB SER A 32 -4.946 -18.536 -2.096 1.00 0.00 C ATOM 406 OG SER A 32 -6.156 -18.711 -2.813 1.00 0.00 O ATOM 0 H SER A 32 -6.824 -17.837 -0.661 1.00 0.00 H new ATOM 0 HA SER A 32 -4.103 -17.194 -0.646 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.103 -18.568 -2.786 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.814 -19.358 -1.393 1.00 0.00 H new ATOM 0 HG SER A 32 -6.133 -19.567 -3.289 1.00 0.00 H new ATOM 412 N SER A 33 -5.895 -15.432 -2.692 1.00 0.00 N ATOM 413 CA SER A 33 -5.876 -14.315 -3.629 1.00 0.00 C ATOM 414 C SER A 33 -6.645 -13.122 -3.068 1.00 0.00 C ATOM 415 O SER A 33 -7.218 -12.332 -3.817 1.00 0.00 O ATOM 416 CB SER A 33 -6.476 -14.737 -4.971 1.00 0.00 C ATOM 417 OG SER A 33 -5.908 -15.954 -5.424 1.00 0.00 O ATOM 0 H SER A 33 -6.824 -15.686 -2.357 1.00 0.00 H new ATOM 0 HA SER A 33 -4.838 -14.018 -3.780 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.555 -14.851 -4.870 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.306 -13.955 -5.711 1.00 0.00 H new ATOM 0 HG SER A 33 -5.038 -15.775 -5.838 1.00 0.00 H new ATOM 423 N GLU A 34 -6.653 -13.001 -1.744 1.00 0.00 N ATOM 424 CA GLU A 34 -7.352 -11.906 -1.082 1.00 0.00 C ATOM 425 C GLU A 34 -6.623 -11.485 0.190 1.00 0.00 C ATOM 426 O GLU A 34 -6.263 -12.322 1.019 1.00 0.00 O ATOM 427 CB GLU A 34 -8.788 -12.317 -0.747 1.00 0.00 C ATOM 428 CG GLU A 34 -9.529 -12.946 -1.915 1.00 0.00 C ATOM 429 CD GLU A 34 -10.956 -13.322 -1.566 1.00 0.00 C ATOM 430 OE1 GLU A 34 -11.762 -12.407 -1.296 1.00 0.00 O ATOM 431 OE2 GLU A 34 -11.267 -14.531 -1.563 1.00 0.00 O ATOM 0 H GLU A 34 -6.184 -13.647 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.374 -11.057 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.771 -13.022 0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.339 -11.439 -0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.535 -12.250 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.993 -13.836 -2.244 1.00 0.00 H new ATOM 438 N ILE A 35 -6.407 -10.182 0.338 1.00 0.00 N ATOM 439 CA ILE A 35 -5.721 -9.649 1.508 1.00 0.00 C ATOM 440 C ILE A 35 -6.192 -8.234 1.825 1.00 0.00 C ATOM 441 O ILE A 35 -6.154 -7.350 0.969 1.00 0.00 O ATOM 442 CB ILE A 35 -4.194 -9.638 1.309 1.00 0.00 C ATOM 443 CG1 ILE A 35 -3.703 -11.022 0.881 1.00 0.00 C ATOM 444 CG2 ILE A 35 -3.496 -9.194 2.586 1.00 0.00 C ATOM 445 CD1 ILE A 35 -2.237 -11.055 0.507 1.00 0.00 C ATOM 0 H ILE A 35 -6.698 -9.476 -0.338 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.965 -10.306 2.343 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.951 -8.927 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.878 -11.728 1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.294 -11.361 0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.417 -9.192 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.826 -8.190 2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.743 -9.882 3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.959 -12.067 0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.058 -10.375 -0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.636 -10.747 1.363 1.00 0.00 H new ATOM 457 N SER A 36 -6.635 -8.026 3.060 1.00 0.00 N ATOM 458 CA SER A 36 -7.115 -6.718 3.490 1.00 0.00 C ATOM 459 C SER A 36 -6.013 -5.942 4.204 1.00 0.00 C ATOM 460 O SER A 36 -5.342 -6.468 5.093 1.00 0.00 O ATOM 461 CB SER A 36 -8.325 -6.874 4.414 1.00 0.00 C ATOM 462 OG SER A 36 -8.873 -5.612 4.754 1.00 0.00 O ATOM 0 H SER A 36 -6.672 -8.747 3.781 1.00 0.00 H new ATOM 0 HA SER A 36 -7.413 -6.159 2.603 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.084 -7.484 3.924 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.029 -7.402 5.321 1.00 0.00 H new ATOM 0 HG SER A 36 -8.731 -4.984 4.015 1.00 0.00 H new ATOM 468 N VAL A 37 -5.831 -4.686 3.809 1.00 0.00 N ATOM 469 CA VAL A 37 -4.811 -3.835 4.410 1.00 0.00 C ATOM 470 C VAL A 37 -5.443 -2.706 5.217 1.00 0.00 C ATOM 471 O VAL A 37 -5.913 -1.716 4.657 1.00 0.00 O ATOM 472 CB VAL A 37 -3.882 -3.230 3.341 1.00 0.00 C ATOM 473 CG1 VAL A 37 -2.748 -2.456 3.995 1.00 0.00 C ATOM 474 CG2 VAL A 37 -3.340 -4.320 2.429 1.00 0.00 C ATOM 0 H VAL A 37 -6.377 -4.235 3.075 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.223 -4.468 5.075 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.460 -2.534 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.102 -2.036 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.160 -1.650 4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.168 -3.127 4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.685 -3.875 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.777 -5.042 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.169 -4.825 1.933 1.00 0.00 H new ATOM 484 N HIS A 38 -5.449 -2.862 6.537 1.00 0.00 N ATOM 485 CA HIS A 38 -6.023 -1.854 7.423 1.00 0.00 C ATOM 486 C HIS A 38 -4.944 -0.906 7.937 1.00 0.00 C ATOM 487 O HIS A 38 -3.763 -1.251 7.964 1.00 0.00 O ATOM 488 CB HIS A 38 -6.733 -2.524 8.599 1.00 0.00 C ATOM 489 CG HIS A 38 -7.416 -3.807 8.236 1.00 0.00 C ATOM 490 ND1 HIS A 38 -8.748 -3.878 7.888 1.00 0.00 N ATOM 491 CD2 HIS A 38 -6.942 -5.073 8.165 1.00 0.00 C ATOM 492 CE1 HIS A 38 -9.065 -5.132 7.621 1.00 0.00 C ATOM 493 NE2 HIS A 38 -7.987 -5.877 7.781 1.00 0.00 N ATOM 0 H HIS A 38 -5.064 -3.675 7.017 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.749 -1.275 6.853 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.006 -2.720 9.388 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.470 -1.833 9.009 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.931 -5.391 8.372 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -10.040 -5.487 7.323 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.938 -6.886 7.642 1.00 0.00 H new ATOM 502 N TRP A 39 -5.358 0.288 8.343 1.00 0.00 N ATOM 503 CA TRP A 39 -4.427 1.287 8.856 1.00 0.00 C ATOM 504 C TRP A 39 -5.159 2.345 9.674 1.00 0.00 C ATOM 505 O TRP A 39 -6.378 2.479 9.581 1.00 0.00 O ATOM 506 CB TRP A 39 -3.670 1.948 7.703 1.00 0.00 C ATOM 507 CG TRP A 39 -4.561 2.701 6.763 1.00 0.00 C ATOM 508 CD1 TRP A 39 -5.002 3.986 6.903 1.00 0.00 C ATOM 509 CD2 TRP A 39 -5.122 2.215 5.539 1.00 0.00 C ATOM 510 NE1 TRP A 39 -5.802 4.328 5.840 1.00 0.00 N ATOM 511 CE2 TRP A 39 -5.891 3.259 4.988 1.00 0.00 C ATOM 512 CE3 TRP A 39 -5.047 1.000 4.852 1.00 0.00 C ATOM 513 CZ2 TRP A 39 -6.580 3.121 3.786 1.00 0.00 C ATOM 514 CZ3 TRP A 39 -5.732 0.865 3.660 1.00 0.00 C ATOM 515 CH2 TRP A 39 -6.489 1.921 3.136 1.00 0.00 C ATOM 0 H TRP A 39 -6.333 0.589 8.327 1.00 0.00 H new ATOM 0 HA TRP A 39 -3.714 0.782 9.507 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -2.925 2.631 8.111 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.130 1.182 7.146 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.758 4.638 7.729 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.256 5.232 5.707 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.464 0.181 5.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.166 3.933 3.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -5.683 -0.071 3.123 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -7.011 1.785 2.200 1.00 0.00 H new ATOM 526 N GLU A 40 -4.406 3.094 10.474 1.00 0.00 N ATOM 527 CA GLU A 40 -4.986 4.140 11.308 1.00 0.00 C ATOM 528 C GLU A 40 -5.069 5.459 10.547 1.00 0.00 C ATOM 529 O GLU A 40 -4.240 5.743 9.682 1.00 0.00 O ATOM 530 CB GLU A 40 -4.158 4.325 12.582 1.00 0.00 C ATOM 531 CG GLU A 40 -4.968 4.818 13.769 1.00 0.00 C ATOM 532 CD GLU A 40 -4.097 5.345 14.892 1.00 0.00 C ATOM 533 OE1 GLU A 40 -2.892 5.572 14.653 1.00 0.00 O ATOM 534 OE2 GLU A 40 -4.620 5.530 16.011 1.00 0.00 O ATOM 0 H GLU A 40 -3.395 2.996 10.562 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.996 3.833 11.581 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.690 3.376 12.842 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.354 5.033 12.383 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.645 5.606 13.440 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.586 4.003 14.146 1.00 0.00 H new ATOM 541 N HIS A 41 -6.077 6.262 10.874 1.00 0.00 N ATOM 542 CA HIS A 41 -6.270 7.552 10.221 1.00 0.00 C ATOM 543 C HIS A 41 -5.241 8.567 10.709 1.00 0.00 C ATOM 544 O HIS A 41 -4.967 8.663 11.905 1.00 0.00 O ATOM 545 CB HIS A 41 -7.683 8.074 10.484 1.00 0.00 C ATOM 546 CG HIS A 41 -8.684 7.634 9.460 1.00 0.00 C ATOM 547 ND1 HIS A 41 -9.862 8.310 9.220 1.00 0.00 N ATOM 548 CD2 HIS A 41 -8.677 6.581 8.611 1.00 0.00 C ATOM 549 CE1 HIS A 41 -10.537 7.690 8.269 1.00 0.00 C ATOM 550 NE2 HIS A 41 -9.839 6.638 7.882 1.00 0.00 N ATOM 0 H HIS A 41 -6.772 6.042 11.587 1.00 0.00 H new ATOM 0 HA HIS A 41 -6.136 7.412 9.148 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -8.009 7.736 11.468 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.660 9.163 10.513 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.902 5.834 8.523 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -11.496 7.992 7.875 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -10.118 5.975 7.159 1.00 0.00 H new ATOM 559 N VAL A 42 -4.674 9.324 9.774 1.00 0.00 N ATOM 560 CA VAL A 42 -3.675 10.332 10.109 1.00 0.00 C ATOM 561 C VAL A 42 -4.327 11.573 10.707 1.00 0.00 C ATOM 562 O VAL A 42 -5.552 11.699 10.722 1.00 0.00 O ATOM 563 CB VAL A 42 -2.855 10.741 8.871 1.00 0.00 C ATOM 564 CG1 VAL A 42 -2.171 9.529 8.258 1.00 0.00 C ATOM 565 CG2 VAL A 42 -3.742 11.437 7.850 1.00 0.00 C ATOM 0 H VAL A 42 -4.890 9.258 8.779 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.008 9.885 10.846 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.082 11.443 9.185 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.597 9.838 7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.502 9.079 8.992 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.923 8.800 7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.146 11.719 6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.538 10.761 7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.178 12.331 8.296 1.00 0.00 H new ATOM 575 N LEU A 43 -3.500 12.489 11.200 1.00 0.00 N ATOM 576 CA LEU A 43 -3.995 13.723 11.799 1.00 0.00 C ATOM 577 C LEU A 43 -4.269 14.777 10.730 1.00 0.00 C ATOM 578 O LEU A 43 -5.075 15.684 10.933 1.00 0.00 O ATOM 579 CB LEU A 43 -2.986 14.261 12.815 1.00 0.00 C ATOM 580 CG LEU A 43 -1.585 14.557 12.277 1.00 0.00 C ATOM 581 CD1 LEU A 43 -1.554 15.909 11.582 1.00 0.00 C ATOM 582 CD2 LEU A 43 -0.561 14.509 13.401 1.00 0.00 C ATOM 0 H LEU A 43 -2.484 12.400 11.197 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.931 13.499 12.310 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.389 15.177 13.247 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.897 13.538 13.626 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.328 13.790 11.546 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.549 16.102 11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.258 15.907 10.750 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.832 16.689 12.291 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.430 14.722 13.000 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.814 15.253 14.156 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.564 13.517 13.854 1.00 0.00 H new ATOM 594 N GLU A 44 -3.595 14.647 9.592 1.00 0.00 N ATOM 595 CA GLU A 44 -3.767 15.587 8.491 1.00 0.00 C ATOM 596 C GLU A 44 -4.997 15.232 7.660 1.00 0.00 C ATOM 597 O GLU A 44 -5.202 14.074 7.297 1.00 0.00 O ATOM 598 CB GLU A 44 -2.522 15.599 7.601 1.00 0.00 C ATOM 599 CG GLU A 44 -2.171 14.236 7.029 1.00 0.00 C ATOM 600 CD GLU A 44 -1.220 13.457 7.918 1.00 0.00 C ATOM 601 OE1 GLU A 44 -0.841 13.982 8.985 1.00 0.00 O ATOM 602 OE2 GLU A 44 -0.856 12.322 7.545 1.00 0.00 O ATOM 0 H GLU A 44 -2.925 13.900 9.408 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.911 16.581 8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.679 16.299 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.676 15.970 8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.085 13.659 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.720 14.364 6.045 1.00 0.00 H new ATOM 609 N LYS A 45 -5.813 16.238 7.363 1.00 0.00 N ATOM 610 CA LYS A 45 -7.022 16.035 6.574 1.00 0.00 C ATOM 611 C LYS A 45 -6.823 16.512 5.139 1.00 0.00 C ATOM 612 O LYS A 45 -7.749 16.475 4.329 1.00 0.00 O ATOM 613 CB LYS A 45 -8.200 16.776 7.210 1.00 0.00 C ATOM 614 CG LYS A 45 -8.894 15.988 8.308 1.00 0.00 C ATOM 615 CD LYS A 45 -9.794 14.907 7.734 1.00 0.00 C ATOM 616 CE LYS A 45 -10.268 13.945 8.813 1.00 0.00 C ATOM 617 NZ LYS A 45 -9.193 13.002 9.227 1.00 0.00 N ATOM 0 H LYS A 45 -5.659 17.202 7.657 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.239 14.967 6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.844 17.721 7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.926 17.019 6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.147 15.533 8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.485 16.665 8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.656 15.368 7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.255 14.355 6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.608 14.511 9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.125 13.380 8.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.583 12.300 9.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.815 12.516 8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.429 13.530 9.695 1.00 0.00 H new ATOM 631 N ILE A 46 -5.609 16.957 4.832 1.00 0.00 N ATOM 632 CA ILE A 46 -5.289 17.438 3.494 1.00 0.00 C ATOM 633 C ILE A 46 -5.102 16.278 2.522 1.00 0.00 C ATOM 634 O ILE A 46 -5.203 16.449 1.307 1.00 0.00 O ATOM 635 CB ILE A 46 -4.013 18.301 3.496 1.00 0.00 C ATOM 636 CG1 ILE A 46 -2.808 17.467 3.936 1.00 0.00 C ATOM 637 CG2 ILE A 46 -4.190 19.507 4.407 1.00 0.00 C ATOM 638 CD1 ILE A 46 -1.493 17.961 3.375 1.00 0.00 C ATOM 0 H ILE A 46 -4.832 16.994 5.491 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.131 18.049 3.169 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.833 18.659 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.753 17.469 5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.960 16.433 3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.280 20.107 4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.026 20.111 4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.391 19.169 5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.684 17.322 3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.528 17.932 2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.318 18.985 3.705 1.00 0.00 H new ATOM 650 N VAL A 47 -4.832 15.095 3.066 1.00 0.00 N ATOM 651 CA VAL A 47 -4.635 13.905 2.248 1.00 0.00 C ATOM 652 C VAL A 47 -5.820 13.675 1.317 1.00 0.00 C ATOM 653 O VAL A 47 -6.917 14.175 1.559 1.00 0.00 O ATOM 654 CB VAL A 47 -4.431 12.652 3.120 1.00 0.00 C ATOM 655 CG1 VAL A 47 -3.286 12.862 4.099 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.715 12.302 3.857 1.00 0.00 C ATOM 0 H VAL A 47 -4.745 14.936 4.070 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.737 14.075 1.653 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.172 11.817 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.157 11.966 4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.367 13.061 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.512 13.710 4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.553 11.414 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.006 13.135 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.507 12.105 3.135 1.00 0.00 H new ATOM 666 N GLU A 48 -5.589 12.915 0.251 1.00 0.00 N ATOM 667 CA GLU A 48 -6.638 12.620 -0.718 1.00 0.00 C ATOM 668 C GLU A 48 -7.046 11.151 -0.647 1.00 0.00 C ATOM 669 O GLU A 48 -8.232 10.822 -0.686 1.00 0.00 O ATOM 670 CB GLU A 48 -6.169 12.963 -2.133 1.00 0.00 C ATOM 671 CG GLU A 48 -6.467 14.396 -2.543 1.00 0.00 C ATOM 672 CD GLU A 48 -6.224 15.386 -1.421 1.00 0.00 C ATOM 673 OE1 GLU A 48 -7.074 15.473 -0.511 1.00 0.00 O ATOM 674 OE2 GLU A 48 -5.182 16.074 -1.453 1.00 0.00 O ATOM 0 H GLU A 48 -4.686 12.493 0.037 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.506 13.233 -0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.095 12.790 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.648 12.285 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.846 14.662 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.505 14.469 -2.868 1.00 0.00 H new ATOM 681 N SER A 49 -6.054 10.272 -0.544 1.00 0.00 N ATOM 682 CA SER A 49 -6.308 8.838 -0.473 1.00 0.00 C ATOM 683 C SER A 49 -5.049 8.083 -0.057 1.00 0.00 C ATOM 684 O SER A 49 -3.941 8.614 -0.132 1.00 0.00 O ATOM 685 CB SER A 49 -6.805 8.319 -1.824 1.00 0.00 C ATOM 686 OG SER A 49 -8.186 8.585 -1.995 1.00 0.00 O ATOM 0 H SER A 49 -5.067 10.528 -0.508 1.00 0.00 H new ATOM 0 HA SER A 49 -7.078 8.667 0.279 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.239 8.788 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.627 7.246 -1.893 1.00 0.00 H new ATOM 0 HG SER A 49 -8.682 7.740 -2.018 1.00 0.00 H new ATOM 692 N TYR A 50 -5.228 6.842 0.381 1.00 0.00 N ATOM 693 CA TYR A 50 -4.108 6.014 0.811 1.00 0.00 C ATOM 694 C TYR A 50 -3.679 5.059 -0.298 1.00 0.00 C ATOM 695 O TYR A 50 -4.396 4.116 -0.632 1.00 0.00 O ATOM 696 CB TYR A 50 -4.484 5.222 2.064 1.00 0.00 C ATOM 697 CG TYR A 50 -4.887 6.093 3.233 1.00 0.00 C ATOM 698 CD1 TYR A 50 -6.179 6.592 3.340 1.00 0.00 C ATOM 699 CD2 TYR A 50 -3.975 6.416 4.231 1.00 0.00 C ATOM 700 CE1 TYR A 50 -6.551 7.388 4.406 1.00 0.00 C ATOM 701 CE2 TYR A 50 -4.339 7.210 5.301 1.00 0.00 C ATOM 702 CZ TYR A 50 -5.628 7.694 5.384 1.00 0.00 C ATOM 703 OH TYR A 50 -5.995 8.486 6.447 1.00 0.00 O ATOM 0 H TYR A 50 -6.139 6.387 0.448 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.271 6.672 1.043 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.306 4.547 1.824 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.638 4.601 2.359 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.905 6.354 2.577 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.965 6.040 4.169 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.559 7.769 4.473 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.618 7.451 6.069 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.948 8.358 6.636 1.00 0.00 H new ATOM 713 N GLN A 51 -2.504 5.311 -0.865 1.00 0.00 N ATOM 714 CA GLN A 51 -1.978 4.474 -1.937 1.00 0.00 C ATOM 715 C GLN A 51 -1.361 3.196 -1.377 1.00 0.00 C ATOM 716 O GLN A 51 -0.237 3.207 -0.875 1.00 0.00 O ATOM 717 CB GLN A 51 -0.936 5.244 -2.750 1.00 0.00 C ATOM 718 CG GLN A 51 -0.047 4.352 -3.601 1.00 0.00 C ATOM 719 CD GLN A 51 0.943 5.140 -4.436 1.00 0.00 C ATOM 720 OE1 GLN A 51 0.788 6.347 -4.628 1.00 0.00 O ATOM 721 NE2 GLN A 51 1.967 4.461 -4.939 1.00 0.00 N ATOM 0 H GLN A 51 -1.898 6.088 -0.600 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.807 4.200 -2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.447 5.957 -3.397 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.311 5.822 -2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.496 3.664 -2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.670 3.746 -4.259 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.056 3.462 -4.755 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.664 4.939 -5.510 1.00 0.00 H new ATOM 730 N ILE A 52 -2.103 2.098 -1.468 1.00 0.00 N ATOM 731 CA ILE A 52 -1.628 0.813 -0.971 1.00 0.00 C ATOM 732 C ILE A 52 -0.823 0.075 -2.035 1.00 0.00 C ATOM 733 O ILE A 52 -1.384 -0.615 -2.885 1.00 0.00 O ATOM 734 CB ILE A 52 -2.796 -0.082 -0.516 1.00 0.00 C ATOM 735 CG1 ILE A 52 -3.567 0.589 0.623 1.00 0.00 C ATOM 736 CG2 ILE A 52 -2.281 -1.446 -0.082 1.00 0.00 C ATOM 737 CD1 ILE A 52 -4.696 1.477 0.147 1.00 0.00 C ATOM 0 H ILE A 52 -3.035 2.072 -1.881 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.987 1.024 -0.115 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.475 -0.223 -1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.973 -0.181 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.875 1.183 1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.119 -2.067 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.772 -1.925 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.583 -1.325 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.198 1.919 1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.294 2.269 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.410 0.883 -0.424 1.00 0.00 H new ATOM 749 N ARG A 53 0.497 0.226 -1.981 1.00 0.00 N ATOM 750 CA ARG A 53 1.380 -0.426 -2.941 1.00 0.00 C ATOM 751 C ARG A 53 1.655 -1.870 -2.532 1.00 0.00 C ATOM 752 O ARG A 53 1.986 -2.148 -1.379 1.00 0.00 O ATOM 753 CB ARG A 53 2.698 0.342 -3.057 1.00 0.00 C ATOM 754 CG ARG A 53 3.513 -0.029 -4.285 1.00 0.00 C ATOM 755 CD ARG A 53 4.907 0.577 -4.232 1.00 0.00 C ATOM 756 NE ARG A 53 4.880 2.026 -4.412 1.00 0.00 N ATOM 757 CZ ARG A 53 4.761 2.618 -5.595 1.00 0.00 C ATOM 758 NH1 ARG A 53 4.658 1.889 -6.697 1.00 0.00 N ATOM 759 NH2 ARG A 53 4.745 3.943 -5.677 1.00 0.00 N ATOM 0 H ARG A 53 0.978 0.794 -1.283 1.00 0.00 H new ATOM 0 HA ARG A 53 0.883 -0.429 -3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.485 1.411 -3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.296 0.157 -2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.589 -1.114 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.999 0.316 -5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.370 0.339 -3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.528 0.127 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 53 4.957 2.616 -3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.670 0.871 -6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.567 2.346 -7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.824 4.507 -4.831 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.654 4.397 -6.586 1.00 0.00 H new ATOM 773 N TYR A 54 1.514 -2.786 -3.485 1.00 0.00 N ATOM 774 CA TYR A 54 1.744 -4.202 -3.223 1.00 0.00 C ATOM 775 C TYR A 54 2.362 -4.886 -4.439 1.00 0.00 C ATOM 776 O TYR A 54 1.960 -4.638 -5.576 1.00 0.00 O ATOM 777 CB TYR A 54 0.432 -4.892 -2.847 1.00 0.00 C ATOM 778 CG TYR A 54 -0.540 -5.014 -3.999 1.00 0.00 C ATOM 779 CD1 TYR A 54 -1.280 -3.919 -4.427 1.00 0.00 C ATOM 780 CD2 TYR A 54 -0.719 -6.224 -4.658 1.00 0.00 C ATOM 781 CE1 TYR A 54 -2.170 -4.025 -5.478 1.00 0.00 C ATOM 782 CE2 TYR A 54 -1.605 -6.339 -5.711 1.00 0.00 C ATOM 783 CZ TYR A 54 -2.329 -5.237 -6.117 1.00 0.00 C ATOM 784 OH TYR A 54 -3.214 -5.349 -7.165 1.00 0.00 O ATOM 0 H TYR A 54 1.242 -2.573 -4.445 1.00 0.00 H new ATOM 0 HA TYR A 54 2.441 -4.284 -2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.652 -5.887 -2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.043 -4.335 -2.039 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.157 -2.968 -3.929 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.156 -7.089 -4.341 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.738 -3.164 -5.798 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.730 -7.286 -6.214 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.205 -6.268 -7.504 1.00 0.00 H new ATOM 794 N TRP A 55 3.341 -5.749 -4.189 1.00 0.00 N ATOM 795 CA TRP A 55 4.015 -6.471 -5.263 1.00 0.00 C ATOM 796 C TRP A 55 4.711 -7.717 -4.727 1.00 0.00 C ATOM 797 O TRP A 55 4.969 -7.828 -3.529 1.00 0.00 O ATOM 798 CB TRP A 55 5.030 -5.562 -5.957 1.00 0.00 C ATOM 799 CG TRP A 55 6.149 -5.127 -5.060 1.00 0.00 C ATOM 800 CD1 TRP A 55 7.416 -5.638 -5.022 1.00 0.00 C ATOM 801 CD2 TRP A 55 6.101 -4.095 -4.069 1.00 0.00 C ATOM 802 NE1 TRP A 55 8.158 -4.984 -4.068 1.00 0.00 N ATOM 803 CE2 TRP A 55 7.374 -4.033 -3.470 1.00 0.00 C ATOM 804 CE3 TRP A 55 5.107 -3.215 -3.631 1.00 0.00 C ATOM 805 CZ2 TRP A 55 7.677 -3.127 -2.456 1.00 0.00 C ATOM 806 CZ3 TRP A 55 5.409 -2.317 -2.625 1.00 0.00 C ATOM 807 CH2 TRP A 55 6.685 -2.278 -2.047 1.00 0.00 C ATOM 0 H TRP A 55 3.685 -5.966 -3.254 1.00 0.00 H new ATOM 0 HA TRP A 55 3.262 -6.782 -5.988 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.446 -6.085 -6.818 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.516 -4.680 -6.338 1.00 0.00 H new ATOM 0 HD1 TRP A 55 7.780 -6.438 -5.649 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.134 -5.176 -3.842 1.00 0.00 H new ATOM 0 HE3 TRP A 55 4.121 -3.237 -4.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.660 -3.096 -2.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.648 -1.633 -2.278 1.00 0.00 H new ATOM 0 HH2 TRP A 55 6.889 -1.564 -1.263 1.00 0.00 H new ATOM 818 N ALA A 56 5.013 -8.652 -5.622 1.00 0.00 N ATOM 819 CA ALA A 56 5.682 -9.889 -5.238 1.00 0.00 C ATOM 820 C ALA A 56 7.164 -9.651 -4.970 1.00 0.00 C ATOM 821 O ALA A 56 7.812 -8.869 -5.664 1.00 0.00 O ATOM 822 CB ALA A 56 5.502 -10.944 -6.319 1.00 0.00 C ATOM 0 H ALA A 56 4.805 -8.576 -6.618 1.00 0.00 H new ATOM 0 HA ALA A 56 5.226 -10.248 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.007 -11.862 -6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.440 -11.143 -6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.931 -10.584 -7.254 1.00 0.00 H new ATOM 828 N ALA A 57 7.694 -10.330 -3.958 1.00 0.00 N ATOM 829 CA ALA A 57 9.101 -10.193 -3.599 1.00 0.00 C ATOM 830 C ALA A 57 9.977 -10.096 -4.843 1.00 0.00 C ATOM 831 O ALA A 57 10.935 -9.323 -4.881 1.00 0.00 O ATOM 832 CB ALA A 57 9.540 -11.363 -2.732 1.00 0.00 C ATOM 0 H ALA A 57 7.171 -10.981 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 57 9.218 -9.270 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.592 -11.248 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.941 -11.386 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.402 -12.295 -3.281 1.00 0.00 H new ATOM 838 N HIS A 58 9.645 -10.886 -5.859 1.00 0.00 N ATOM 839 CA HIS A 58 10.403 -10.889 -7.106 1.00 0.00 C ATOM 840 C HIS A 58 10.145 -9.613 -7.901 1.00 0.00 C ATOM 841 O HIS A 58 11.075 -8.993 -8.417 1.00 0.00 O ATOM 842 CB HIS A 58 10.036 -12.111 -7.948 1.00 0.00 C ATOM 843 CG HIS A 58 8.610 -12.116 -8.407 1.00 0.00 C ATOM 844 ND1 HIS A 58 7.989 -11.401 -9.374 1.00 0.00 N flip ATOM 845 CD2 HIS A 58 7.643 -12.927 -7.851 1.00 0.00 C flip ATOM 846 CE1 HIS A 58 6.672 -11.790 -9.386 1.00 0.00 C flip ATOM 847 NE2 HIS A 58 6.489 -12.712 -8.458 1.00 0.00 N flip ATOM 0 H HIS A 58 8.856 -11.532 -5.844 1.00 0.00 H new ATOM 0 HA HIS A 58 11.463 -10.934 -6.858 1.00 0.00 H new ATOM 0 HB2 HIS A 58 10.690 -12.151 -8.819 1.00 0.00 H new ATOM 0 HB3 HIS A 58 10.225 -13.013 -7.366 1.00 0.00 H new ATOM 0 HD1 HIS A 58 8.419 -10.703 -9.981 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.804 -13.628 -7.045 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.910 -11.405 -10.047 1.00 0.00 H new ATOM 856 N ASP A 59 8.878 -9.226 -7.995 1.00 0.00 N ATOM 857 CA ASP A 59 8.498 -8.023 -8.728 1.00 0.00 C ATOM 858 C ASP A 59 9.284 -6.814 -8.231 1.00 0.00 C ATOM 859 O ASP A 59 9.788 -6.806 -7.108 1.00 0.00 O ATOM 860 CB ASP A 59 6.997 -7.766 -8.584 1.00 0.00 C ATOM 861 CG ASP A 59 6.159 -8.825 -9.275 1.00 0.00 C ATOM 862 OD1 ASP A 59 6.576 -9.301 -10.351 1.00 0.00 O ATOM 863 OD2 ASP A 59 5.087 -9.176 -8.739 1.00 0.00 O ATOM 0 H ASP A 59 8.096 -9.727 -7.573 1.00 0.00 H new ATOM 0 HA ASP A 59 8.733 -8.178 -9.781 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.737 -7.734 -7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.757 -6.788 -9.001 1.00 0.00 H new ATOM 868 N LYS A 60 9.385 -5.793 -9.076 1.00 0.00 N ATOM 869 CA LYS A 60 10.109 -4.578 -8.724 1.00 0.00 C ATOM 870 C LYS A 60 9.143 -3.451 -8.371 1.00 0.00 C ATOM 871 O LYS A 60 7.966 -3.496 -8.730 1.00 0.00 O ATOM 872 CB LYS A 60 11.013 -4.145 -9.881 1.00 0.00 C ATOM 873 CG LYS A 60 12.173 -5.092 -10.134 1.00 0.00 C ATOM 874 CD LYS A 60 13.364 -4.367 -10.737 1.00 0.00 C ATOM 875 CE LYS A 60 13.285 -4.333 -12.255 1.00 0.00 C ATOM 876 NZ LYS A 60 14.121 -3.242 -12.829 1.00 0.00 N ATOM 0 H LYS A 60 8.974 -5.783 -10.010 1.00 0.00 H new ATOM 0 HA LYS A 60 10.724 -4.792 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.415 -4.066 -10.789 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.406 -3.150 -9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.469 -5.564 -9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.853 -5.889 -10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.405 -3.349 -10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.286 -4.862 -10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.612 -5.292 -12.657 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.248 -4.196 -12.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.040 -3.252 -13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.793 -2.325 -12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.114 -3.387 -12.558 1.00 0.00 H new ATOM 890 N GLU A 61 9.648 -2.442 -7.668 1.00 0.00 N ATOM 891 CA GLU A 61 8.828 -1.305 -7.269 1.00 0.00 C ATOM 892 C GLU A 61 8.174 -0.652 -8.484 1.00 0.00 C ATOM 893 O GLU A 61 7.062 -0.133 -8.398 1.00 0.00 O ATOM 894 CB GLU A 61 9.675 -0.276 -6.518 1.00 0.00 C ATOM 895 CG GLU A 61 10.620 0.506 -7.415 1.00 0.00 C ATOM 896 CD GLU A 61 9.929 1.646 -8.137 1.00 0.00 C ATOM 897 OE1 GLU A 61 9.225 2.431 -7.468 1.00 0.00 O ATOM 898 OE2 GLU A 61 10.092 1.754 -9.370 1.00 0.00 O ATOM 0 H GLU A 61 10.620 -2.389 -7.364 1.00 0.00 H new ATOM 0 HA GLU A 61 8.042 -1.671 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.013 0.422 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.256 -0.787 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.438 0.904 -6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.061 -0.169 -8.148 1.00 0.00 H new ATOM 905 N GLU A 62 8.874 -0.682 -9.613 1.00 0.00 N ATOM 906 CA GLU A 62 8.362 -0.093 -10.845 1.00 0.00 C ATOM 907 C GLU A 62 7.109 -0.823 -11.318 1.00 0.00 C ATOM 908 O GLU A 62 6.103 -0.198 -11.654 1.00 0.00 O ATOM 909 CB GLU A 62 9.432 -0.132 -11.938 1.00 0.00 C ATOM 910 CG GLU A 62 9.841 -1.539 -12.339 1.00 0.00 C ATOM 911 CD GLU A 62 10.925 -1.552 -13.399 1.00 0.00 C ATOM 912 OE1 GLU A 62 11.854 -0.722 -13.307 1.00 0.00 O ATOM 913 OE2 GLU A 62 10.845 -2.390 -14.321 1.00 0.00 O ATOM 0 H GLU A 62 9.797 -1.108 -9.700 1.00 0.00 H new ATOM 0 HA GLU A 62 8.100 0.945 -10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.060 0.394 -12.817 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.313 0.409 -11.592 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.193 -2.076 -11.458 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.968 -2.075 -12.711 1.00 0.00 H new ATOM 920 N ALA A 63 7.178 -2.150 -11.341 1.00 0.00 N ATOM 921 CA ALA A 63 6.049 -2.966 -11.771 1.00 0.00 C ATOM 922 C ALA A 63 5.105 -3.254 -10.608 1.00 0.00 C ATOM 923 O ALA A 63 4.288 -4.172 -10.672 1.00 0.00 O ATOM 924 CB ALA A 63 6.543 -4.267 -12.386 1.00 0.00 C ATOM 0 H ALA A 63 8.004 -2.683 -11.067 1.00 0.00 H new ATOM 0 HA ALA A 63 5.495 -2.407 -12.525 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.690 -4.867 -12.703 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.171 -4.046 -13.249 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.122 -4.822 -11.648 1.00 0.00 H new ATOM 930 N ALA A 64 5.223 -2.463 -9.547 1.00 0.00 N ATOM 931 CA ALA A 64 4.379 -2.632 -8.370 1.00 0.00 C ATOM 932 C ALA A 64 3.025 -1.958 -8.565 1.00 0.00 C ATOM 933 O ALA A 64 2.951 -0.801 -8.978 1.00 0.00 O ATOM 934 CB ALA A 64 5.075 -2.076 -7.137 1.00 0.00 C ATOM 0 H ALA A 64 5.895 -1.699 -9.478 1.00 0.00 H new ATOM 0 HA ALA A 64 4.207 -3.699 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.433 -2.209 -6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.015 -2.606 -6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.276 -1.014 -7.281 1.00 0.00 H new ATOM 940 N ASN A 65 1.956 -2.689 -8.265 1.00 0.00 N ATOM 941 CA ASN A 65 0.604 -2.162 -8.408 1.00 0.00 C ATOM 942 C ASN A 65 0.051 -1.710 -7.060 1.00 0.00 C ATOM 943 O ASN A 65 0.330 -2.319 -6.027 1.00 0.00 O ATOM 944 CB ASN A 65 -0.316 -3.219 -9.021 1.00 0.00 C ATOM 945 CG ASN A 65 0.006 -3.490 -10.478 1.00 0.00 C ATOM 946 OD1 ASN A 65 -0.516 -2.827 -11.375 1.00 0.00 O ATOM 947 ND2 ASN A 65 0.869 -4.470 -10.721 1.00 0.00 N ATOM 0 H ASN A 65 2.000 -3.648 -7.921 1.00 0.00 H new ATOM 0 HA ASN A 65 0.646 -1.298 -9.072 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.229 -4.146 -8.454 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.351 -2.889 -8.936 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.123 -4.699 -11.682 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.277 -4.994 -9.947 1.00 0.00 H new ATOM 954 N ARG A 66 -0.735 -0.639 -7.078 1.00 0.00 N ATOM 955 CA ARG A 66 -1.328 -0.105 -5.858 1.00 0.00 C ATOM 956 C ARG A 66 -2.829 0.106 -6.029 1.00 0.00 C ATOM 957 O ARG A 66 -3.362 -0.016 -7.132 1.00 0.00 O ATOM 958 CB ARG A 66 -0.657 1.216 -5.475 1.00 0.00 C ATOM 959 CG ARG A 66 -0.689 2.258 -6.581 1.00 0.00 C ATOM 960 CD ARG A 66 -1.940 3.119 -6.497 1.00 0.00 C ATOM 961 NE ARG A 66 -3.074 2.505 -7.182 1.00 0.00 N ATOM 962 CZ ARG A 66 -3.218 2.495 -8.503 1.00 0.00 C ATOM 963 NH1 ARG A 66 -2.303 3.063 -9.277 1.00 0.00 N ATOM 964 NH2 ARG A 66 -4.277 1.916 -9.052 1.00 0.00 N ATOM 0 H ARG A 66 -0.976 -0.124 -7.925 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.170 -0.830 -5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.150 1.621 -4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.380 1.021 -5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.196 2.891 -6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.651 1.762 -7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.196 3.286 -5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.738 4.096 -6.935 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.795 2.059 -6.615 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.487 3.509 -8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.416 3.054 -10.291 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.983 1.477 -8.460 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.386 1.909 -10.066 1.00 0.00 H new ATOM 978 N VAL A 67 -3.506 0.424 -4.930 1.00 0.00 N ATOM 979 CA VAL A 67 -4.946 0.653 -4.959 1.00 0.00 C ATOM 980 C VAL A 67 -5.316 1.920 -4.198 1.00 0.00 C ATOM 981 O VAL A 67 -5.360 1.927 -2.968 1.00 0.00 O ATOM 982 CB VAL A 67 -5.716 -0.538 -4.356 1.00 0.00 C ATOM 983 CG1 VAL A 67 -7.210 -0.381 -4.590 1.00 0.00 C ATOM 984 CG2 VAL A 67 -5.211 -1.849 -4.941 1.00 0.00 C ATOM 0 H VAL A 67 -3.081 0.529 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.228 0.766 -6.006 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.541 -0.555 -3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.737 -1.231 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.557 0.539 -4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.408 -0.338 -5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.765 -2.680 -4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.355 -1.845 -6.021 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.150 -1.963 -4.717 1.00 0.00 H new ATOM 994 N GLN A 68 -5.583 2.992 -4.938 1.00 0.00 N ATOM 995 CA GLN A 68 -5.949 4.266 -4.331 1.00 0.00 C ATOM 996 C GLN A 68 -7.418 4.272 -3.921 1.00 0.00 C ATOM 997 O GLN A 68 -8.306 4.452 -4.755 1.00 0.00 O ATOM 998 CB GLN A 68 -5.675 5.415 -5.303 1.00 0.00 C ATOM 999 CG GLN A 68 -6.378 6.710 -4.929 1.00 0.00 C ATOM 1000 CD GLN A 68 -6.316 7.747 -6.033 1.00 0.00 C ATOM 1001 OE1 GLN A 68 -5.806 7.483 -7.122 1.00 0.00 O ATOM 1002 NE2 GLN A 68 -6.837 8.937 -5.757 1.00 0.00 N ATOM 0 H GLN A 68 -5.553 3.003 -5.957 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.340 4.402 -3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.601 5.594 -5.347 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.989 5.116 -6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.421 6.498 -4.693 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.924 7.118 -4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.250 9.113 -4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.824 9.675 -6.461 1.00 0.00 H new ATOM 1011 N VAL A 69 -7.668 4.072 -2.631 1.00 0.00 N ATOM 1012 CA VAL A 69 -9.029 4.054 -2.110 1.00 0.00 C ATOM 1013 C VAL A 69 -9.383 5.383 -1.451 1.00 0.00 C ATOM 1014 O VAL A 69 -8.510 6.212 -1.192 1.00 0.00 O ATOM 1015 CB VAL A 69 -9.224 2.919 -1.087 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -8.800 1.585 -1.682 1.00 0.00 C ATOM 1017 CG2 VAL A 69 -8.450 3.213 0.189 1.00 0.00 C ATOM 0 H VAL A 69 -6.945 3.920 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.690 3.885 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.283 2.858 -0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.945 0.795 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.403 1.372 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.748 1.630 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.599 2.401 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.389 3.303 -0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.807 4.147 0.624 1.00 0.00 H new ATOM 1027 N THR A 70 -10.670 5.580 -1.182 1.00 0.00 N ATOM 1028 CA THR A 70 -11.140 6.808 -0.554 1.00 0.00 C ATOM 1029 C THR A 70 -10.521 6.992 0.827 1.00 0.00 C ATOM 1030 O THR A 70 -10.473 6.056 1.626 1.00 0.00 O ATOM 1031 CB THR A 70 -12.675 6.819 -0.421 1.00 0.00 C ATOM 1032 OG1 THR A 70 -13.130 5.569 0.107 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.332 7.076 -1.769 1.00 0.00 C ATOM 0 H THR A 70 -11.405 4.904 -1.390 1.00 0.00 H new ATOM 0 HA THR A 70 -10.832 7.630 -1.200 1.00 0.00 H new ATOM 0 HB THR A 70 -12.953 7.623 0.261 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.106 5.585 0.190 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.416 7.079 -1.651 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.006 8.042 -2.154 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.046 6.291 -2.469 1.00 0.00 H new ATOM 1041 N SER A 71 -10.047 8.203 1.102 1.00 0.00 N ATOM 1042 CA SER A 71 -9.428 8.508 2.386 1.00 0.00 C ATOM 1043 C SER A 71 -10.328 8.076 3.540 1.00 0.00 C ATOM 1044 O SER A 71 -9.851 7.787 4.637 1.00 0.00 O ATOM 1045 CB SER A 71 -9.130 10.005 2.489 1.00 0.00 C ATOM 1046 OG SER A 71 -10.328 10.763 2.511 1.00 0.00 O ATOM 0 H SER A 71 -10.080 8.989 0.453 1.00 0.00 H new ATOM 0 HA SER A 71 -8.492 7.953 2.451 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.554 10.203 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.515 10.316 1.644 1.00 0.00 H new ATOM 0 HG SER A 71 -10.111 11.716 2.579 1.00 0.00 H new ATOM 1052 N GLN A 72 -11.631 8.034 3.282 1.00 0.00 N ATOM 1053 CA GLN A 72 -12.598 7.637 4.299 1.00 0.00 C ATOM 1054 C GLN A 72 -12.414 6.173 4.683 1.00 0.00 C ATOM 1055 O GLN A 72 -12.623 5.793 5.835 1.00 0.00 O ATOM 1056 CB GLN A 72 -14.023 7.870 3.795 1.00 0.00 C ATOM 1057 CG GLN A 72 -14.342 9.332 3.525 1.00 0.00 C ATOM 1058 CD GLN A 72 -15.476 9.509 2.534 1.00 0.00 C ATOM 1059 OE1 GLN A 72 -16.506 8.840 2.626 1.00 0.00 O ATOM 1060 NE2 GLN A 72 -15.292 10.412 1.579 1.00 0.00 N ATOM 0 H GLN A 72 -12.041 8.270 2.378 1.00 0.00 H new ATOM 0 HA GLN A 72 -12.429 8.249 5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.173 7.299 2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.728 7.483 4.531 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.604 9.822 4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.450 9.830 3.144 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -14.423 10.944 1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -16.020 10.574 0.883 1.00 0.00 H new ATOM 1069 N GLU A 73 -12.023 5.355 3.710 1.00 0.00 N ATOM 1070 CA GLU A 73 -11.813 3.932 3.948 1.00 0.00 C ATOM 1071 C GLU A 73 -10.650 3.707 4.909 1.00 0.00 C ATOM 1072 O GLU A 73 -9.493 3.952 4.569 1.00 0.00 O ATOM 1073 CB GLU A 73 -11.546 3.206 2.628 1.00 0.00 C ATOM 1074 CG GLU A 73 -12.808 2.726 1.931 1.00 0.00 C ATOM 1075 CD GLU A 73 -13.269 1.370 2.428 1.00 0.00 C ATOM 1076 OE1 GLU A 73 -13.984 1.325 3.451 1.00 0.00 O ATOM 1077 OE2 GLU A 73 -12.915 0.353 1.795 1.00 0.00 O ATOM 0 H GLU A 73 -11.846 5.653 2.751 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.719 3.528 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.003 3.874 1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.898 2.350 2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.603 3.455 2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.628 2.673 0.857 1.00 0.00 H new ATOM 1084 N TYR A 74 -10.966 3.238 6.111 1.00 0.00 N ATOM 1085 CA TYR A 74 -9.949 2.983 7.124 1.00 0.00 C ATOM 1086 C TYR A 74 -9.060 1.811 6.719 1.00 0.00 C ATOM 1087 O TYR A 74 -7.973 1.623 7.266 1.00 0.00 O ATOM 1088 CB TYR A 74 -10.605 2.696 8.475 1.00 0.00 C ATOM 1089 CG TYR A 74 -10.861 3.938 9.300 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -11.988 4.720 9.082 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -9.975 4.328 10.296 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -12.225 5.856 9.832 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -10.204 5.461 11.052 1.00 0.00 C ATOM 1094 CZ TYR A 74 -11.331 6.222 10.816 1.00 0.00 C ATOM 1095 OH TYR A 74 -11.562 7.352 11.567 1.00 0.00 O ATOM 0 H TYR A 74 -11.919 3.027 6.408 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.328 3.875 7.212 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -11.550 2.180 8.308 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.967 2.018 9.042 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.691 4.435 8.313 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.092 3.735 10.483 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.105 6.454 9.649 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.505 5.750 11.823 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.125 8.121 11.144 1.00 0.00 H new ATOM 1105 N SER A 75 -9.530 1.025 5.756 1.00 0.00 N ATOM 1106 CA SER A 75 -8.781 -0.131 5.278 1.00 0.00 C ATOM 1107 C SER A 75 -9.022 -0.358 3.789 1.00 0.00 C ATOM 1108 O SER A 75 -9.873 0.292 3.181 1.00 0.00 O ATOM 1109 CB SER A 75 -9.175 -1.382 6.067 1.00 0.00 C ATOM 1110 OG SER A 75 -9.148 -1.135 7.462 1.00 0.00 O ATOM 0 H SER A 75 -10.427 1.168 5.291 1.00 0.00 H new ATOM 0 HA SER A 75 -7.720 0.067 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.174 -1.703 5.771 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.493 -2.198 5.826 1.00 0.00 H new ATOM 0 HG SER A 75 -9.204 -1.985 7.946 1.00 0.00 H new ATOM 1116 N ALA A 76 -8.267 -1.284 3.208 1.00 0.00 N ATOM 1117 CA ALA A 76 -8.400 -1.599 1.791 1.00 0.00 C ATOM 1118 C ALA A 76 -8.532 -3.102 1.572 1.00 0.00 C ATOM 1119 O ALA A 76 -8.322 -3.894 2.492 1.00 0.00 O ATOM 1120 CB ALA A 76 -7.209 -1.054 1.016 1.00 0.00 C ATOM 0 H ALA A 76 -7.557 -1.829 3.697 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.309 -1.124 1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.321 -1.296 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.160 0.028 1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.291 -1.503 1.396 1.00 0.00 H new ATOM 1126 N ARG A 77 -8.882 -3.490 0.350 1.00 0.00 N ATOM 1127 CA ARG A 77 -9.045 -4.898 0.012 1.00 0.00 C ATOM 1128 C ARG A 77 -8.262 -5.248 -1.250 1.00 0.00 C ATOM 1129 O ARG A 77 -8.426 -4.611 -2.292 1.00 0.00 O ATOM 1130 CB ARG A 77 -10.525 -5.231 -0.184 1.00 0.00 C ATOM 1131 CG ARG A 77 -10.799 -6.716 -0.350 1.00 0.00 C ATOM 1132 CD ARG A 77 -12.193 -7.083 0.134 1.00 0.00 C ATOM 1133 NE ARG A 77 -13.202 -6.890 -0.904 1.00 0.00 N ATOM 1134 CZ ARG A 77 -13.283 -7.639 -1.998 1.00 0.00 C ATOM 1135 NH1 ARG A 77 -12.421 -8.627 -2.195 1.00 0.00 N ATOM 1136 NH2 ARG A 77 -14.229 -7.401 -2.898 1.00 0.00 N ATOM 0 H ARG A 77 -9.058 -2.848 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.654 -5.491 0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -11.088 -4.860 0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.894 -4.702 -1.062 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.693 -6.992 -1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.057 -7.288 0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.202 -8.123 0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.446 -6.476 1.003 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.882 -6.139 -0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -11.693 -8.814 -1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.486 -9.200 -3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.895 -6.642 -2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -14.290 -7.977 -3.738 1.00 0.00 H new ATOM 1150 N LEU A 78 -7.411 -6.263 -1.150 1.00 0.00 N ATOM 1151 CA LEU A 78 -6.602 -6.698 -2.284 1.00 0.00 C ATOM 1152 C LEU A 78 -7.171 -7.970 -2.903 1.00 0.00 C ATOM 1153 O LEU A 78 -7.805 -8.774 -2.220 1.00 0.00 O ATOM 1154 CB LEU A 78 -5.156 -6.934 -1.843 1.00 0.00 C ATOM 1155 CG LEU A 78 -4.442 -5.737 -1.214 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -3.073 -6.146 -0.692 1.00 0.00 C ATOM 1157 CD2 LEU A 78 -4.314 -4.603 -2.221 1.00 0.00 C ATOM 0 H LEU A 78 -7.263 -6.800 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.622 -5.910 -3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.145 -7.755 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.581 -7.260 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.038 -5.384 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.580 -5.281 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.189 -6.925 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.468 -6.526 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.804 -3.760 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.740 -4.944 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.307 -4.292 -2.547 1.00 0.00 H new ATOM 1169 N GLU A 79 -6.939 -8.147 -4.200 1.00 0.00 N ATOM 1170 CA GLU A 79 -7.428 -9.323 -4.910 1.00 0.00 C ATOM 1171 C GLU A 79 -6.532 -9.651 -6.101 1.00 0.00 C ATOM 1172 O GLU A 79 -5.581 -8.927 -6.394 1.00 0.00 O ATOM 1173 CB GLU A 79 -8.865 -9.098 -5.385 1.00 0.00 C ATOM 1174 CG GLU A 79 -9.906 -9.328 -4.302 1.00 0.00 C ATOM 1175 CD GLU A 79 -11.241 -9.779 -4.863 1.00 0.00 C ATOM 1176 OE1 GLU A 79 -11.824 -9.033 -5.677 1.00 0.00 O ATOM 1177 OE2 GLU A 79 -11.702 -10.877 -4.488 1.00 0.00 O ATOM 0 H GLU A 79 -6.416 -7.491 -4.780 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.409 -10.167 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.960 -8.078 -5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.071 -9.764 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.538 -10.079 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.046 -8.407 -3.736 1.00 0.00 H new ATOM 1184 N ASN A 80 -6.844 -10.747 -6.784 1.00 0.00 N ATOM 1185 CA ASN A 80 -6.067 -11.173 -7.943 1.00 0.00 C ATOM 1186 C ASN A 80 -4.593 -11.326 -7.583 1.00 0.00 C ATOM 1187 O ASN A 80 -3.714 -10.832 -8.291 1.00 0.00 O ATOM 1188 CB ASN A 80 -6.223 -10.166 -9.084 1.00 0.00 C ATOM 1189 CG ASN A 80 -7.666 -10.008 -9.524 1.00 0.00 C ATOM 1190 OD1 ASN A 80 -8.446 -9.274 -8.740 1.00 0.00 O flip ATOM 1191 ND2 ASN A 80 -8.073 -10.541 -10.556 1.00 0.00 N flip ATOM 0 H ASN A 80 -7.629 -11.357 -6.555 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.446 -12.142 -8.268 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.835 -9.198 -8.766 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.620 -10.488 -9.933 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.437 -11.097 -11.128 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.046 -10.427 -10.839 1.00 0.00 H new ATOM 1198 N LEU A 81 -4.328 -12.015 -6.478 1.00 0.00 N ATOM 1199 CA LEU A 81 -2.959 -12.235 -6.023 1.00 0.00 C ATOM 1200 C LEU A 81 -2.537 -13.683 -6.249 1.00 0.00 C ATOM 1201 O LEU A 81 -3.362 -14.539 -6.570 1.00 0.00 O ATOM 1202 CB LEU A 81 -2.830 -11.879 -4.541 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.371 -10.509 -4.130 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.429 -10.391 -2.615 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -2.515 -9.399 -4.721 1.00 0.00 C ATOM 0 H LEU A 81 -5.043 -12.431 -5.881 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.300 -11.589 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.347 -12.641 -3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.776 -11.929 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.383 -10.407 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.816 -9.410 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.084 -11.165 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.428 -10.514 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.915 -8.431 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.491 -9.498 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.525 -9.472 -5.809 1.00 0.00 H new ATOM 1217 N LEU A 82 -1.247 -13.951 -6.077 1.00 0.00 N ATOM 1218 CA LEU A 82 -0.715 -15.297 -6.259 1.00 0.00 C ATOM 1219 C LEU A 82 -0.667 -16.049 -4.933 1.00 0.00 C ATOM 1220 O LEU A 82 -0.392 -15.478 -3.877 1.00 0.00 O ATOM 1221 CB LEU A 82 0.685 -15.234 -6.873 1.00 0.00 C ATOM 1222 CG LEU A 82 0.775 -14.644 -8.281 1.00 0.00 C ATOM 1223 CD1 LEU A 82 2.214 -14.289 -8.620 1.00 0.00 C ATOM 1224 CD2 LEU A 82 0.208 -15.617 -9.304 1.00 0.00 C ATOM 0 H LEU A 82 -0.551 -13.254 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.379 -15.834 -6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.323 -14.646 -6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.095 -16.244 -6.897 1.00 0.00 H new ATOM 0 HG LEU A 82 0.181 -13.731 -8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.258 -13.871 -9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.586 -13.555 -7.905 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.831 -15.186 -8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.280 -15.181 -10.300 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.774 -16.548 -9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.837 -15.821 -9.072 1.00 0.00 H new ATOM 1236 N PRO A 83 -0.940 -17.361 -4.986 1.00 0.00 N ATOM 1237 CA PRO A 83 -0.932 -18.220 -3.798 1.00 0.00 C ATOM 1238 C PRO A 83 0.474 -18.434 -3.247 1.00 0.00 C ATOM 1239 O PRO A 83 1.445 -18.487 -4.001 1.00 0.00 O ATOM 1240 CB PRO A 83 -1.512 -19.540 -4.311 1.00 0.00 C ATOM 1241 CG PRO A 83 -1.212 -19.544 -5.770 1.00 0.00 C ATOM 1242 CD PRO A 83 -1.276 -18.108 -6.210 1.00 0.00 C ATOM 0 HA PRO A 83 -1.496 -17.782 -2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.055 -20.394 -3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.585 -19.599 -4.127 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.227 -19.968 -5.965 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.934 -20.152 -6.315 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.569 -17.902 -7.013 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.266 -17.845 -6.582 1.00 0.00 H new ATOM 1250 N ASP A 84 0.574 -18.556 -1.928 1.00 0.00 N ATOM 1251 CA ASP A 84 1.862 -18.766 -1.276 1.00 0.00 C ATOM 1252 C ASP A 84 2.929 -17.856 -1.875 1.00 0.00 C ATOM 1253 O ASP A 84 4.009 -18.313 -2.254 1.00 0.00 O ATOM 1254 CB ASP A 84 2.290 -20.229 -1.404 1.00 0.00 C ATOM 1255 CG ASP A 84 3.392 -20.597 -0.430 1.00 0.00 C ATOM 1256 OD1 ASP A 84 3.333 -20.144 0.732 1.00 0.00 O ATOM 1257 OD2 ASP A 84 4.313 -21.339 -0.831 1.00 0.00 O ATOM 0 H ASP A 84 -0.220 -18.513 -1.290 1.00 0.00 H new ATOM 0 HA ASP A 84 1.752 -18.519 -0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.428 -20.873 -1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.631 -20.417 -2.422 1.00 0.00 H new ATOM 1262 N THR A 85 2.621 -16.566 -1.960 1.00 0.00 N ATOM 1263 CA THR A 85 3.552 -15.592 -2.515 1.00 0.00 C ATOM 1264 C THR A 85 3.715 -14.395 -1.585 1.00 0.00 C ATOM 1265 O THR A 85 2.731 -13.808 -1.137 1.00 0.00 O ATOM 1266 CB THR A 85 3.088 -15.095 -3.897 1.00 0.00 C ATOM 1267 OG1 THR A 85 2.908 -16.206 -4.782 1.00 0.00 O ATOM 1268 CG2 THR A 85 4.098 -14.126 -4.491 1.00 0.00 C ATOM 0 H THR A 85 1.733 -16.171 -1.651 1.00 0.00 H new ATOM 0 HA THR A 85 4.511 -16.098 -2.623 1.00 0.00 H new ATOM 0 HB THR A 85 2.139 -14.574 -3.771 1.00 0.00 H new ATOM 0 HG1 THR A 85 2.287 -16.848 -4.379 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.748 -13.789 -5.467 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.211 -13.267 -3.829 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.060 -14.626 -4.603 1.00 0.00 H new ATOM 1276 N GLN A 86 4.964 -14.039 -1.300 1.00 0.00 N ATOM 1277 CA GLN A 86 5.254 -12.911 -0.423 1.00 0.00 C ATOM 1278 C GLN A 86 4.976 -11.587 -1.129 1.00 0.00 C ATOM 1279 O GLN A 86 5.545 -11.303 -2.183 1.00 0.00 O ATOM 1280 CB GLN A 86 6.711 -12.960 0.040 1.00 0.00 C ATOM 1281 CG GLN A 86 7.142 -11.730 0.823 1.00 0.00 C ATOM 1282 CD GLN A 86 8.455 -11.933 1.552 1.00 0.00 C ATOM 1283 OE1 GLN A 86 9.227 -12.836 1.226 1.00 0.00 O ATOM 1284 NE2 GLN A 86 8.717 -11.093 2.547 1.00 0.00 N ATOM 0 H GLN A 86 5.790 -14.515 -1.663 1.00 0.00 H new ATOM 0 HA GLN A 86 4.601 -12.982 0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.857 -13.845 0.660 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.357 -13.071 -0.831 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.236 -10.885 0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.366 -11.473 1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.050 -10.359 2.784 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.586 -11.182 3.074 1.00 0.00 H new ATOM 1293 N TYR A 87 4.099 -10.782 -0.540 1.00 0.00 N ATOM 1294 CA TYR A 87 3.744 -9.490 -1.114 1.00 0.00 C ATOM 1295 C TYR A 87 4.059 -8.357 -0.142 1.00 0.00 C ATOM 1296 O TYR A 87 3.597 -8.356 1.000 1.00 0.00 O ATOM 1297 CB TYR A 87 2.259 -9.462 -1.483 1.00 0.00 C ATOM 1298 CG TYR A 87 1.973 -9.964 -2.880 1.00 0.00 C ATOM 1299 CD1 TYR A 87 1.808 -11.320 -3.132 1.00 0.00 C ATOM 1300 CD2 TYR A 87 1.869 -9.082 -3.948 1.00 0.00 C ATOM 1301 CE1 TYR A 87 1.547 -11.783 -4.407 1.00 0.00 C ATOM 1302 CE2 TYR A 87 1.607 -9.536 -5.226 1.00 0.00 C ATOM 1303 CZ TYR A 87 1.447 -10.887 -5.451 1.00 0.00 C ATOM 1304 OH TYR A 87 1.187 -11.344 -6.723 1.00 0.00 O ATOM 0 H TYR A 87 3.621 -11.001 0.334 1.00 0.00 H new ATOM 0 HA TYR A 87 4.338 -9.347 -2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.704 -10.068 -0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.889 -8.441 -1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.885 -12.024 -2.317 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.995 -8.023 -3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 87 1.422 -12.841 -4.585 1.00 0.00 H new ATOM 0 HE2 TYR A 87 1.528 -8.836 -6.045 1.00 0.00 H new ATOM 0 HH TYR A 87 1.147 -10.585 -7.342 1.00 0.00 H new ATOM 1314 N PHE A 88 4.848 -7.392 -0.603 1.00 0.00 N ATOM 1315 CA PHE A 88 5.226 -6.252 0.224 1.00 0.00 C ATOM 1316 C PHE A 88 4.185 -5.141 0.128 1.00 0.00 C ATOM 1317 O PHE A 88 4.127 -4.415 -0.865 1.00 0.00 O ATOM 1318 CB PHE A 88 6.597 -5.721 -0.198 1.00 0.00 C ATOM 1319 CG PHE A 88 7.735 -6.620 0.192 1.00 0.00 C ATOM 1320 CD1 PHE A 88 8.010 -6.872 1.526 1.00 0.00 C ATOM 1321 CD2 PHE A 88 8.529 -7.214 -0.776 1.00 0.00 C ATOM 1322 CE1 PHE A 88 9.057 -7.698 1.887 1.00 0.00 C ATOM 1323 CE2 PHE A 88 9.577 -8.042 -0.421 1.00 0.00 C ATOM 1324 CZ PHE A 88 9.841 -8.285 0.913 1.00 0.00 C ATOM 0 H PHE A 88 5.238 -7.377 -1.545 1.00 0.00 H new ATOM 0 HA PHE A 88 5.278 -6.588 1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.607 -5.584 -1.279 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.751 -4.739 0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.399 -6.418 2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.326 -7.028 -1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.262 -7.885 2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.189 -8.498 -1.185 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.659 -8.932 1.194 1.00 0.00 H new ATOM 1334 N ILE A 89 3.365 -5.015 1.165 1.00 0.00 N ATOM 1335 CA ILE A 89 2.326 -3.992 1.198 1.00 0.00 C ATOM 1336 C ILE A 89 2.786 -2.767 1.981 1.00 0.00 C ATOM 1337 O ILE A 89 3.675 -2.857 2.826 1.00 0.00 O ATOM 1338 CB ILE A 89 1.026 -4.530 1.825 1.00 0.00 C ATOM 1339 CG1 ILE A 89 0.445 -5.653 0.963 1.00 0.00 C ATOM 1340 CG2 ILE A 89 0.015 -3.406 1.993 1.00 0.00 C ATOM 1341 CD1 ILE A 89 -0.358 -6.665 1.750 1.00 0.00 C ATOM 0 H ILE A 89 3.399 -5.608 1.994 1.00 0.00 H new ATOM 0 HA ILE A 89 2.130 -3.707 0.164 1.00 0.00 H new ATOM 0 HB ILE A 89 1.256 -4.936 2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.191 -5.217 0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.259 -6.166 0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.898 -3.802 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.431 -2.637 2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.213 -2.973 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.739 -7.431 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.279 -7.129 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.194 -6.165 2.240 1.00 0.00 H new ATOM 1353 N GLU A 90 2.172 -1.623 1.693 1.00 0.00 N ATOM 1354 CA GLU A 90 2.519 -0.380 2.372 1.00 0.00 C ATOM 1355 C GLU A 90 1.392 0.642 2.243 1.00 0.00 C ATOM 1356 O GLU A 90 0.764 0.760 1.192 1.00 0.00 O ATOM 1357 CB GLU A 90 3.814 0.197 1.796 1.00 0.00 C ATOM 1358 CG GLU A 90 3.788 0.363 0.286 1.00 0.00 C ATOM 1359 CD GLU A 90 4.860 1.311 -0.215 1.00 0.00 C ATOM 1360 OE1 GLU A 90 4.811 2.506 0.143 1.00 0.00 O ATOM 1361 OE2 GLU A 90 5.749 0.857 -0.966 1.00 0.00 O ATOM 0 H GLU A 90 1.433 -1.532 0.996 1.00 0.00 H new ATOM 0 HA GLU A 90 2.667 -0.601 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.006 1.166 2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.644 -0.455 2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.920 -0.611 -0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.809 0.734 -0.018 1.00 0.00 H new ATOM 1368 N VAL A 91 1.143 1.378 3.322 1.00 0.00 N ATOM 1369 CA VAL A 91 0.093 2.390 3.331 1.00 0.00 C ATOM 1370 C VAL A 91 0.626 3.729 3.829 1.00 0.00 C ATOM 1371 O VAL A 91 0.885 3.902 5.019 1.00 0.00 O ATOM 1372 CB VAL A 91 -1.093 1.960 4.215 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -2.134 3.067 4.286 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -1.707 0.671 3.692 1.00 0.00 C ATOM 0 H VAL A 91 1.654 1.292 4.201 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.252 2.499 2.303 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.724 1.776 5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.965 2.746 4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.683 3.964 4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.501 3.286 3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.543 0.382 4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.063 0.825 2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.956 -0.119 3.699 1.00 0.00 H new ATOM 1384 N GLY A 92 0.785 4.675 2.909 1.00 0.00 N ATOM 1385 CA GLY A 92 1.286 5.987 3.273 1.00 0.00 C ATOM 1386 C GLY A 92 0.429 7.109 2.719 1.00 0.00 C ATOM 1387 O GLY A 92 0.228 7.205 1.509 1.00 0.00 O ATOM 0 H GLY A 92 0.576 4.556 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.328 6.068 4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.306 6.098 2.906 1.00 0.00 H new ATOM 1391 N ALA A 93 -0.078 7.958 3.607 1.00 0.00 N ATOM 1392 CA ALA A 93 -0.917 9.078 3.199 1.00 0.00 C ATOM 1393 C ALA A 93 -0.164 10.015 2.261 1.00 0.00 C ATOM 1394 O ALA A 93 0.920 10.499 2.589 1.00 0.00 O ATOM 1395 CB ALA A 93 -1.412 9.838 4.421 1.00 0.00 C ATOM 0 H ALA A 93 0.078 7.892 4.613 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.776 8.679 2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.037 10.672 4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.995 9.169 5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.559 10.218 4.983 1.00 0.00 H new ATOM 1401 N CYS A 94 -0.744 10.267 1.093 1.00 0.00 N ATOM 1402 CA CYS A 94 -0.127 11.146 0.106 1.00 0.00 C ATOM 1403 C CYS A 94 -1.186 11.824 -0.756 1.00 0.00 C ATOM 1404 O CYS A 94 -2.129 11.183 -1.218 1.00 0.00 O ATOM 1405 CB CYS A 94 0.838 10.354 -0.779 1.00 0.00 C ATOM 1406 SG CYS A 94 1.309 11.206 -2.303 1.00 0.00 S ATOM 0 H CYS A 94 -1.641 9.875 0.806 1.00 0.00 H new ATOM 0 HA CYS A 94 0.429 11.917 0.639 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.739 10.130 -0.207 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.378 9.400 -1.036 1.00 0.00 H new ATOM 0 HG CYS A 94 2.127 10.459 -2.983 1.00 0.00 H new ATOM 1412 N ASN A 95 -1.025 13.126 -0.967 1.00 0.00 N ATOM 1413 CA ASN A 95 -1.969 13.893 -1.772 1.00 0.00 C ATOM 1414 C ASN A 95 -1.335 14.322 -3.092 1.00 0.00 C ATOM 1415 O ASN A 95 -0.146 14.103 -3.322 1.00 0.00 O ATOM 1416 CB ASN A 95 -2.448 15.124 -1.000 1.00 0.00 C ATOM 1417 CG ASN A 95 -1.299 15.929 -0.424 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -0.186 15.423 -0.273 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -1.564 17.189 -0.099 1.00 0.00 N ATOM 0 H ASN A 95 -0.250 13.672 -0.592 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.825 13.254 -1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.036 15.759 -1.663 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -3.108 14.809 -0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.831 17.780 0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.501 17.566 -0.242 1.00 0.00 H new ATOM 1426 N SER A 96 -2.138 14.936 -3.956 1.00 0.00 N ATOM 1427 CA SER A 96 -1.657 15.393 -5.254 1.00 0.00 C ATOM 1428 C SER A 96 -0.697 16.567 -5.095 1.00 0.00 C ATOM 1429 O SER A 96 0.218 16.749 -5.898 1.00 0.00 O ATOM 1430 CB SER A 96 -2.834 15.800 -6.143 1.00 0.00 C ATOM 1431 OG SER A 96 -2.388 16.215 -7.422 1.00 0.00 O ATOM 0 H SER A 96 -3.124 15.128 -3.780 1.00 0.00 H new ATOM 0 HA SER A 96 -1.121 14.569 -5.726 1.00 0.00 H new ATOM 0 HB2 SER A 96 -3.521 14.960 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.390 16.609 -5.668 1.00 0.00 H new ATOM 0 HG SER A 96 -3.159 16.468 -7.971 1.00 0.00 H new ATOM 1437 N ALA A 97 -0.911 17.362 -4.051 1.00 0.00 N ATOM 1438 CA ALA A 97 -0.064 18.517 -3.784 1.00 0.00 C ATOM 1439 C ALA A 97 1.360 18.088 -3.448 1.00 0.00 C ATOM 1440 O ALA A 97 2.300 18.396 -4.179 1.00 0.00 O ATOM 1441 CB ALA A 97 -0.648 19.349 -2.652 1.00 0.00 C ATOM 0 H ALA A 97 -1.664 17.227 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.028 19.126 -4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.005 20.209 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.643 19.695 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.714 18.741 -1.750 1.00 0.00 H new ATOM 1447 N GLY A 98 1.512 17.375 -2.336 1.00 0.00 N ATOM 1448 CA GLY A 98 2.825 16.916 -1.922 1.00 0.00 C ATOM 1449 C GLY A 98 2.905 15.406 -1.819 1.00 0.00 C ATOM 1450 O GLY A 98 1.880 14.726 -1.766 1.00 0.00 O ATOM 0 H GLY A 98 0.749 17.107 -1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.571 17.269 -2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.073 17.357 -0.956 1.00 0.00 H new ATOM 1454 N CYS A 99 4.125 14.881 -1.791 1.00 0.00 N ATOM 1455 CA CYS A 99 4.335 13.440 -1.695 1.00 0.00 C ATOM 1456 C CYS A 99 4.706 13.038 -0.272 1.00 0.00 C ATOM 1457 O CYS A 99 5.752 13.431 0.243 1.00 0.00 O ATOM 1458 CB CYS A 99 5.432 12.999 -2.665 1.00 0.00 C ATOM 1459 SG CYS A 99 5.715 11.213 -2.696 1.00 0.00 S ATOM 0 H CYS A 99 4.983 15.431 -1.833 1.00 0.00 H new ATOM 0 HA CYS A 99 3.402 12.943 -1.961 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.170 13.332 -3.669 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.363 13.499 -2.396 1.00 0.00 H new ATOM 0 HG CYS A 99 6.659 10.938 -3.547 1.00 0.00 H new ATOM 1465 N GLY A 100 3.839 12.253 0.361 1.00 0.00 N ATOM 1466 CA GLY A 100 4.092 11.812 1.720 1.00 0.00 C ATOM 1467 C GLY A 100 4.972 10.579 1.775 1.00 0.00 C ATOM 1468 O GLY A 100 4.975 9.751 0.864 1.00 0.00 O ATOM 0 H GLY A 100 2.966 11.915 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.567 12.619 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 100 3.143 11.600 2.212 1.00 0.00 H new ATOM 1472 N PRO A 101 5.742 10.446 2.865 1.00 0.00 N ATOM 1473 CA PRO A 101 6.646 9.308 3.061 1.00 0.00 C ATOM 1474 C PRO A 101 5.893 8.006 3.313 1.00 0.00 C ATOM 1475 O PRO A 101 4.822 7.988 3.921 1.00 0.00 O ATOM 1476 CB PRO A 101 7.454 9.706 4.298 1.00 0.00 C ATOM 1477 CG PRO A 101 6.573 10.653 5.038 1.00 0.00 C ATOM 1478 CD PRO A 101 5.790 11.394 3.991 1.00 0.00 C ATOM 0 HA PRO A 101 7.257 9.117 2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.700 8.836 4.907 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.397 10.177 4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 101 5.908 10.118 5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.162 11.341 5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.791 11.650 4.343 1.00 0.00 H new ATOM 0 HD3 PRO A 101 6.278 12.327 3.710 1.00 0.00 H new ATOM 1486 N PRO A 102 6.463 6.890 2.837 1.00 0.00 N ATOM 1487 CA PRO A 102 5.863 5.562 3.000 1.00 0.00 C ATOM 1488 C PRO A 102 5.902 5.082 4.447 1.00 0.00 C ATOM 1489 O PRO A 102 6.807 5.434 5.204 1.00 0.00 O ATOM 1490 CB PRO A 102 6.735 4.668 2.116 1.00 0.00 C ATOM 1491 CG PRO A 102 8.049 5.367 2.049 1.00 0.00 C ATOM 1492 CD PRO A 102 7.739 6.837 2.103 1.00 0.00 C ATOM 0 HA PRO A 102 4.808 5.555 2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 102 6.839 3.670 2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.300 4.547 1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 102 8.690 5.073 2.880 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.580 5.113 1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.522 7.394 2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 102 7.647 7.265 1.105 1.00 0.00 H new ATOM 1500 N SER A 103 4.915 4.276 4.825 1.00 0.00 N ATOM 1501 CA SER A 103 4.835 3.751 6.183 1.00 0.00 C ATOM 1502 C SER A 103 5.710 2.511 6.338 1.00 0.00 C ATOM 1503 O SER A 103 6.411 2.112 5.407 1.00 0.00 O ATOM 1504 CB SER A 103 3.386 3.413 6.537 1.00 0.00 C ATOM 1505 OG SER A 103 2.825 2.519 5.592 1.00 0.00 O ATOM 0 H SER A 103 4.160 3.972 4.210 1.00 0.00 H new ATOM 0 HA SER A 103 5.199 4.519 6.865 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.346 2.968 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 103 2.794 4.328 6.573 1.00 0.00 H new ATOM 0 HG SER A 103 1.855 2.655 5.549 1.00 0.00 H new ATOM 1511 N ASP A 104 5.664 1.905 7.519 1.00 0.00 N ATOM 1512 CA ASP A 104 6.451 0.710 7.797 1.00 0.00 C ATOM 1513 C ASP A 104 6.177 -0.375 6.760 1.00 0.00 C ATOM 1514 O ASP A 104 5.057 -0.872 6.649 1.00 0.00 O ATOM 1515 CB ASP A 104 6.140 0.183 9.199 1.00 0.00 C ATOM 1516 CG ASP A 104 6.954 0.878 10.273 1.00 0.00 C ATOM 1517 OD1 ASP A 104 8.078 1.327 9.967 1.00 0.00 O ATOM 1518 OD2 ASP A 104 6.467 0.972 11.419 1.00 0.00 O ATOM 0 H ASP A 104 5.089 2.222 8.300 1.00 0.00 H new ATOM 0 HA ASP A 104 7.506 0.980 7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.079 0.318 9.407 1.00 0.00 H new ATOM 0 HB3 ASP A 104 6.338 -0.888 9.233 1.00 0.00 H new ATOM 1523 N MET A 105 7.207 -0.736 6.002 1.00 0.00 N ATOM 1524 CA MET A 105 7.077 -1.762 4.974 1.00 0.00 C ATOM 1525 C MET A 105 6.609 -3.082 5.579 1.00 0.00 C ATOM 1526 O MET A 105 7.389 -3.797 6.208 1.00 0.00 O ATOM 1527 CB MET A 105 8.410 -1.963 4.252 1.00 0.00 C ATOM 1528 CG MET A 105 8.384 -3.088 3.230 1.00 0.00 C ATOM 1529 SD MET A 105 9.687 -2.932 1.993 1.00 0.00 S ATOM 1530 CE MET A 105 8.842 -1.984 0.729 1.00 0.00 C ATOM 0 H MET A 105 8.141 -0.333 6.080 1.00 0.00 H new ATOM 0 HA MET A 105 6.330 -1.427 4.255 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.686 -1.035 3.752 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.185 -2.171 4.989 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.489 -4.043 3.744 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.415 -3.099 2.732 1.00 0.00 H new ATOM 0 HE1 MET A 105 9.390 -2.060 -0.210 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.834 -2.376 0.593 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.787 -0.939 1.034 1.00 0.00 H new ATOM 1540 N ILE A 106 5.333 -3.397 5.386 1.00 0.00 N ATOM 1541 CA ILE A 106 4.763 -4.631 5.912 1.00 0.00 C ATOM 1542 C ILE A 106 4.696 -5.708 4.835 1.00 0.00 C ATOM 1543 O ILE A 106 4.363 -5.429 3.684 1.00 0.00 O ATOM 1544 CB ILE A 106 3.350 -4.401 6.481 1.00 0.00 C ATOM 1545 CG1 ILE A 106 3.432 -3.722 7.850 1.00 0.00 C ATOM 1546 CG2 ILE A 106 2.599 -5.719 6.582 1.00 0.00 C ATOM 1547 CD1 ILE A 106 2.250 -2.829 8.153 1.00 0.00 C ATOM 0 H ILE A 106 4.674 -2.815 4.869 1.00 0.00 H new ATOM 0 HA ILE A 106 5.419 -4.964 6.716 1.00 0.00 H new ATOM 0 HB ILE A 106 2.804 -3.745 5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.506 -4.488 8.622 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.346 -3.130 7.899 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.602 -5.540 6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 106 2.514 -6.166 5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.141 -6.397 7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.376 -2.381 9.139 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.187 -2.041 7.402 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.334 -3.420 8.137 1.00 0.00 H new ATOM 1559 N GLU A 107 5.012 -6.941 5.219 1.00 0.00 N ATOM 1560 CA GLU A 107 4.987 -8.061 4.286 1.00 0.00 C ATOM 1561 C GLU A 107 3.855 -9.027 4.625 1.00 0.00 C ATOM 1562 O GLU A 107 3.486 -9.182 5.789 1.00 0.00 O ATOM 1563 CB GLU A 107 6.326 -8.801 4.305 1.00 0.00 C ATOM 1564 CG GLU A 107 6.576 -9.574 5.589 1.00 0.00 C ATOM 1565 CD GLU A 107 7.053 -8.686 6.722 1.00 0.00 C ATOM 1566 OE1 GLU A 107 8.196 -8.189 6.644 1.00 0.00 O ATOM 1567 OE2 GLU A 107 6.284 -8.488 7.685 1.00 0.00 O ATOM 0 H GLU A 107 5.288 -7.189 6.169 1.00 0.00 H new ATOM 0 HA GLU A 107 4.815 -7.663 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.362 -9.491 3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.132 -8.081 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.658 -10.078 5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.319 -10.349 5.403 1.00 0.00 H new ATOM 1574 N ALA A 108 3.308 -9.673 3.601 1.00 0.00 N ATOM 1575 CA ALA A 108 2.220 -10.624 3.790 1.00 0.00 C ATOM 1576 C ALA A 108 2.533 -11.957 3.118 1.00 0.00 C ATOM 1577 O ALA A 108 3.275 -12.009 2.137 1.00 0.00 O ATOM 1578 CB ALA A 108 0.918 -10.051 3.249 1.00 0.00 C ATOM 0 H ALA A 108 3.601 -9.555 2.631 1.00 0.00 H new ATOM 0 HA ALA A 108 2.109 -10.803 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.114 -10.772 3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.679 -9.128 3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.027 -9.842 2.185 1.00 0.00 H new ATOM 1584 N PHE A 109 1.963 -13.031 3.652 1.00 0.00 N ATOM 1585 CA PHE A 109 2.183 -14.365 3.105 1.00 0.00 C ATOM 1586 C PHE A 109 0.855 -15.060 2.816 1.00 0.00 C ATOM 1587 O PHE A 109 0.180 -15.539 3.728 1.00 0.00 O ATOM 1588 CB PHE A 109 3.012 -15.208 4.076 1.00 0.00 C ATOM 1589 CG PHE A 109 4.492 -15.107 3.844 1.00 0.00 C ATOM 1590 CD1 PHE A 109 5.203 -14.004 4.289 1.00 0.00 C ATOM 1591 CD2 PHE A 109 5.173 -16.115 3.180 1.00 0.00 C ATOM 1592 CE1 PHE A 109 6.566 -13.909 4.077 1.00 0.00 C ATOM 1593 CE2 PHE A 109 6.535 -16.025 2.965 1.00 0.00 C ATOM 1594 CZ PHE A 109 7.232 -14.920 3.413 1.00 0.00 C ATOM 0 H PHE A 109 1.345 -13.004 4.463 1.00 0.00 H new ATOM 0 HA PHE A 109 2.730 -14.260 2.168 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.790 -14.896 5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.709 -16.251 3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.687 -13.210 4.807 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.633 -16.981 2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.109 -13.045 4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 109 7.054 -16.818 2.447 1.00 0.00 H new ATOM 0 HZ PHE A 109 8.296 -14.847 3.244 1.00 0.00 H new ATOM 1604 N THR A 110 0.485 -15.111 1.540 1.00 0.00 N ATOM 1605 CA THR A 110 -0.761 -15.745 1.130 1.00 0.00 C ATOM 1606 C THR A 110 -0.723 -17.248 1.384 1.00 0.00 C ATOM 1607 O THR A 110 0.325 -17.807 1.706 1.00 0.00 O ATOM 1608 CB THR A 110 -1.055 -15.495 -0.361 1.00 0.00 C ATOM 1609 OG1 THR A 110 0.005 -16.024 -1.165 1.00 0.00 O ATOM 1610 CG2 THR A 110 -1.215 -14.007 -0.639 1.00 0.00 C ATOM 0 H THR A 110 1.032 -14.720 0.772 1.00 0.00 H new ATOM 0 HA THR A 110 -1.555 -15.298 1.729 1.00 0.00 H new ATOM 0 HB THR A 110 -1.988 -15.998 -0.614 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.314 -15.337 -1.792 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.422 -13.855 -1.698 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.042 -13.613 -0.048 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.296 -13.486 -0.370 1.00 0.00 H new ATOM 1618 N LYS A 111 -1.873 -17.897 1.236 1.00 0.00 N ATOM 1619 CA LYS A 111 -1.972 -19.336 1.447 1.00 0.00 C ATOM 1620 C LYS A 111 -1.729 -20.095 0.146 1.00 0.00 C ATOM 1621 O LYS A 111 -1.667 -19.499 -0.930 1.00 0.00 O ATOM 1622 CB LYS A 111 -3.348 -19.697 2.011 1.00 0.00 C ATOM 1623 CG LYS A 111 -3.642 -19.054 3.355 1.00 0.00 C ATOM 1624 CD LYS A 111 -2.827 -19.692 4.468 1.00 0.00 C ATOM 1625 CE LYS A 111 -2.969 -18.924 5.773 1.00 0.00 C ATOM 1626 NZ LYS A 111 -1.784 -19.106 6.656 1.00 0.00 N ATOM 0 H LYS A 111 -2.750 -17.449 0.971 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.205 -19.626 2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.115 -19.395 1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.417 -20.780 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -3.420 -17.988 3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.704 -19.149 3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.152 -20.722 4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.777 -19.727 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -3.102 -17.864 5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.866 -19.258 6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -1.920 -18.567 7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -1.672 -20.115 6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -0.932 -18.764 6.168 1.00 0.00 H new ATOM 1640 N LYS A 112 -1.594 -21.412 0.251 1.00 0.00 N ATOM 1641 CA LYS A 112 -1.361 -22.253 -0.917 1.00 0.00 C ATOM 1642 C LYS A 112 -2.673 -22.577 -1.625 1.00 0.00 C ATOM 1643 O LYS A 112 -3.637 -23.014 -0.997 1.00 0.00 O ATOM 1644 CB LYS A 112 -0.658 -23.549 -0.506 1.00 0.00 C ATOM 1645 CG LYS A 112 0.649 -23.323 0.234 1.00 0.00 C ATOM 1646 CD LYS A 112 1.001 -24.508 1.118 1.00 0.00 C ATOM 1647 CE LYS A 112 1.710 -25.599 0.331 1.00 0.00 C ATOM 1648 NZ LYS A 112 0.746 -26.531 -0.318 1.00 0.00 N ATOM 0 H LYS A 112 -1.642 -21.921 1.134 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.722 -21.703 -1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.328 -24.131 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.463 -24.145 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.451 -23.153 -0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.572 -22.423 0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.639 -24.176 1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.093 -24.912 1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.344 -25.144 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.365 -26.160 0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.076 -27.510 -0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.190 -26.425 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.678 -26.310 -1.332 1.00 0.00 H new ATOM 1662 N ALA A 113 -2.702 -22.361 -2.936 1.00 0.00 N ATOM 1663 CA ALA A 113 -3.894 -22.633 -3.729 1.00 0.00 C ATOM 1664 C ALA A 113 -4.292 -24.102 -3.636 1.00 0.00 C ATOM 1665 O ALA A 113 -3.468 -24.992 -3.848 1.00 0.00 O ATOM 1666 CB ALA A 113 -3.665 -22.237 -5.180 1.00 0.00 C ATOM 0 H ALA A 113 -1.913 -21.998 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 113 -4.712 -22.036 -3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.564 -22.446 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.437 -21.173 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -2.830 -22.808 -5.586 1.00 0.00 H new ATOM 1672 N SER A 114 -5.558 -24.349 -3.318 1.00 0.00 N ATOM 1673 CA SER A 114 -6.064 -25.711 -3.193 1.00 0.00 C ATOM 1674 C SER A 114 -7.123 -25.998 -4.253 1.00 0.00 C ATOM 1675 O SER A 114 -7.797 -25.088 -4.734 1.00 0.00 O ATOM 1676 CB SER A 114 -6.649 -25.934 -1.798 1.00 0.00 C ATOM 1677 OG SER A 114 -7.708 -25.029 -1.538 1.00 0.00 O ATOM 0 H SER A 114 -6.253 -23.623 -3.142 1.00 0.00 H new ATOM 0 HA SER A 114 -5.230 -26.397 -3.344 1.00 0.00 H new ATOM 0 HB2 SER A 114 -7.012 -26.958 -1.712 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.868 -25.809 -1.048 1.00 0.00 H new ATOM 0 HG SER A 114 -8.066 -25.193 -0.641 1.00 0.00 H new ATOM 1683 N GLY A 115 -7.262 -27.270 -4.613 1.00 0.00 N ATOM 1684 CA GLY A 115 -8.240 -27.655 -5.614 1.00 0.00 C ATOM 1685 C GLY A 115 -7.644 -27.737 -7.005 1.00 0.00 C ATOM 1686 O GLY A 115 -6.780 -26.945 -7.382 1.00 0.00 O ATOM 0 H GLY A 115 -6.715 -28.041 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -8.667 -28.622 -5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -9.058 -26.935 -5.614 1.00 0.00 H new ATOM 1690 N PRO A 116 -8.108 -28.717 -7.795 1.00 0.00 N ATOM 1691 CA PRO A 116 -7.628 -28.924 -9.165 1.00 0.00 C ATOM 1692 C PRO A 116 -8.078 -27.816 -10.110 1.00 0.00 C ATOM 1693 O PRO A 116 -7.322 -27.386 -10.982 1.00 0.00 O ATOM 1694 CB PRO A 116 -8.262 -30.259 -9.565 1.00 0.00 C ATOM 1695 CG PRO A 116 -9.479 -30.370 -8.713 1.00 0.00 C ATOM 1696 CD PRO A 116 -9.137 -29.698 -7.412 1.00 0.00 C ATOM 0 HA PRO A 116 -6.539 -28.920 -9.221 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.518 -30.274 -10.624 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.579 -31.090 -9.390 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -10.333 -29.888 -9.188 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -9.750 -31.414 -8.554 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -10.007 -29.215 -6.968 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.760 -30.411 -6.679 1.00 0.00 H new ATOM 1704 N SER A 117 -9.312 -27.357 -9.932 1.00 0.00 N ATOM 1705 CA SER A 117 -9.864 -26.301 -10.773 1.00 0.00 C ATOM 1706 C SER A 117 -9.962 -24.989 -10.001 1.00 0.00 C ATOM 1707 O SER A 117 -10.927 -24.755 -9.272 1.00 0.00 O ATOM 1708 CB SER A 117 -11.245 -26.703 -11.294 1.00 0.00 C ATOM 1709 OG SER A 117 -12.124 -27.009 -10.226 1.00 0.00 O ATOM 0 H SER A 117 -9.949 -27.700 -9.213 1.00 0.00 H new ATOM 0 HA SER A 117 -9.193 -26.156 -11.620 1.00 0.00 H new ATOM 0 HB2 SER A 117 -11.662 -25.892 -11.891 1.00 0.00 H new ATOM 0 HB3 SER A 117 -11.152 -27.568 -11.951 1.00 0.00 H new ATOM 0 HG SER A 117 -12.092 -26.291 -9.560 1.00 0.00 H new ATOM 1715 N SER A 118 -8.957 -24.135 -10.166 1.00 0.00 N ATOM 1716 CA SER A 118 -8.927 -22.847 -9.483 1.00 0.00 C ATOM 1717 C SER A 118 -9.128 -21.703 -10.471 1.00 0.00 C ATOM 1718 O SER A 118 -8.919 -21.862 -11.673 1.00 0.00 O ATOM 1719 CB SER A 118 -7.599 -22.670 -8.743 1.00 0.00 C ATOM 1720 OG SER A 118 -6.499 -22.887 -9.609 1.00 0.00 O ATOM 0 H SER A 118 -8.152 -24.312 -10.767 1.00 0.00 H new ATOM 0 HA SER A 118 -9.743 -22.827 -8.761 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.544 -21.665 -8.325 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.550 -23.367 -7.906 1.00 0.00 H new ATOM 0 HG SER A 118 -5.663 -22.766 -9.112 1.00 0.00 H new ATOM 1726 N GLY A 119 -9.535 -20.547 -9.954 1.00 0.00 N ATOM 1727 CA GLY A 119 -9.758 -19.392 -10.804 1.00 0.00 C ATOM 1728 C GLY A 119 -8.613 -18.400 -10.746 1.00 0.00 C ATOM 1729 O GLY A 119 -7.772 -18.359 -11.643 1.00 0.00 O ATOM 0 H GLY A 119 -9.714 -20.390 -8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.896 -19.723 -11.833 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.680 -18.896 -10.503 1.00 0.00 H new TER 1733 GLY A 119