USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 925 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 102 MET CE :methyl -156:sc= 0 (180deg=-0.214) USER MOD Set 1.2: A 106 TYR OH : rot -6:sc= 1.31 USER MOD Set 2.1: A 69 ASN : amide:sc= -0.068! C(o=-0.81!,f=-9.7!) USER MOD Set 2.2: A 73 TYR OH : rot 129:sc= 1.05 USER MOD Set 2.3: A 90 MET CE :methyl 172:sc= -1.79 (180deg=-1.44) USER MOD Set 3.1: A 25 TYR OH : rot 141:sc= -2.81! USER MOD Set 3.2: A 48 HIS : no HE2:sc= -3.06! C(o=-7!,f=-15!) USER MOD Set 3.3: A 49 HIS : no HD1:sc= -1.89! X(o=-7!,f=-7) USER MOD Set 3.4: A 58 LYS NZ :NH3+ -149:sc= 0.744 (180deg=-0.483) USER MOD Set 4.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 32 ASN : amide:sc= -1.34! C(o=-3.5!,f=-15!) USER MOD Set 4.3: A 35 THR OG1 : rot 63:sc= -2.16 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 51:sc= 0.0289 USER MOD Single : A 9 ASN : amide:sc= -2.19! C(o=-2.2!,f=-5.6!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.165 USER MOD Single : A 12 GLN : amide:sc= -5.9! C(o=-5.9!,f=-14!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 5:sc= -4.99! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -108:sc= 0.964 USER MOD Single : A 23 LYS NZ :NH3+ -129:sc= 1.16 (180deg=-0.895) USER MOD Single : A 24 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.73) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= -0.0508 (180deg=-0.324) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 36 SER OG : rot -37:sc= -0.962 USER MOD Single : A 39 ASN : amide:sc= 0.455! C(o=0.45!,f=-9.5!) USER MOD Single : A 42 SER OG : rot 160:sc= 0 USER MOD Single : A 44 CYS SG : rot 66:sc= -0.526 USER MOD Single : A 57 TYR OH : rot 150:sc= -0.804 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -3.55! C(o=-3.5!,f=-3.1!) USER MOD Single : A 63 GLN : amide:sc= -9.98! C(o=-10!,f=-14!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.18! K(o=-1.2!,f=-3.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= -0.213 (180deg=-0.939) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc=-0.000117 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 103 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 104 TYR OH : rot 30:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -5.48! C(o=-5.5!,f=-4.8!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.525 -4.003 -12.330 1.00 0.00 N ATOM 2 CA GLY A 1 24.270 -4.066 -11.086 1.00 0.00 C ATOM 3 C GLY A 1 23.938 -5.301 -10.272 1.00 0.00 C ATOM 4 O GLY A 1 22.768 -5.643 -10.100 1.00 0.00 O ATOM 0 H1 GLY A 1 23.788 -3.141 -12.849 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.747 -4.837 -12.910 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.506 -3.986 -12.124 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.338 -4.055 -11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.057 -3.176 -10.493 1.00 0.00 H new ATOM 8 N SER A 2 24.969 -5.973 -9.771 1.00 0.00 N ATOM 9 CA SER A 2 24.781 -7.180 -8.975 1.00 0.00 C ATOM 10 C SER A 2 24.723 -6.847 -7.488 1.00 0.00 C ATOM 11 O SER A 2 25.422 -5.951 -7.013 1.00 0.00 O ATOM 12 CB SER A 2 25.912 -8.175 -9.243 1.00 0.00 C ATOM 13 OG SER A 2 25.947 -8.552 -10.609 1.00 0.00 O ATOM 0 H SER A 2 25.944 -5.702 -9.902 1.00 0.00 H new ATOM 0 HA SER A 2 23.833 -7.632 -9.265 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.866 -7.730 -8.961 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.777 -9.060 -8.622 1.00 0.00 H new ATOM 0 HG SER A 2 26.679 -9.187 -10.755 1.00 0.00 H new ATOM 19 N SER A 3 23.885 -7.575 -6.757 1.00 0.00 N ATOM 20 CA SER A 3 23.732 -7.355 -5.323 1.00 0.00 C ATOM 21 C SER A 3 23.418 -8.663 -4.604 1.00 0.00 C ATOM 22 O SER A 3 22.353 -9.249 -4.794 1.00 0.00 O ATOM 23 CB SER A 3 22.623 -6.335 -5.058 1.00 0.00 C ATOM 24 OG SER A 3 22.384 -6.192 -3.668 1.00 0.00 O ATOM 0 H SER A 3 23.302 -8.322 -7.134 1.00 0.00 H new ATOM 0 HA SER A 3 24.674 -6.965 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.902 -5.371 -5.483 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.707 -6.651 -5.557 1.00 0.00 H new ATOM 0 HG SER A 3 21.672 -5.534 -3.524 1.00 0.00 H new ATOM 30 N GLY A 4 24.355 -9.115 -3.775 1.00 0.00 N ATOM 31 CA GLY A 4 24.160 -10.351 -3.039 1.00 0.00 C ATOM 32 C GLY A 4 23.246 -10.175 -1.843 1.00 0.00 C ATOM 33 O GLY A 4 23.709 -10.101 -0.705 1.00 0.00 O ATOM 0 H GLY A 4 25.245 -8.648 -3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.740 -11.105 -3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.126 -10.726 -2.702 1.00 0.00 H new ATOM 37 N SER A 5 21.944 -10.108 -2.101 1.00 0.00 N ATOM 38 CA SER A 5 20.962 -9.935 -1.037 1.00 0.00 C ATOM 39 C SER A 5 21.452 -8.923 -0.005 1.00 0.00 C ATOM 40 O SER A 5 21.328 -9.140 1.200 1.00 0.00 O ATOM 41 CB SER A 5 20.673 -11.274 -0.357 1.00 0.00 C ATOM 42 OG SER A 5 19.843 -12.089 -1.167 1.00 0.00 O ATOM 0 H SER A 5 21.545 -10.171 -3.037 1.00 0.00 H new ATOM 0 HA SER A 5 20.042 -9.557 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.610 -11.792 -0.154 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.190 -11.100 0.605 1.00 0.00 H new ATOM 0 HG SER A 5 19.674 -12.940 -0.711 1.00 0.00 H new ATOM 48 N SER A 6 22.009 -7.817 -0.488 1.00 0.00 N ATOM 49 CA SER A 6 22.521 -6.773 0.391 1.00 0.00 C ATOM 50 C SER A 6 21.591 -5.564 0.399 1.00 0.00 C ATOM 51 O SER A 6 21.833 -4.575 -0.292 1.00 0.00 O ATOM 52 CB SER A 6 23.923 -6.348 -0.050 1.00 0.00 C ATOM 53 OG SER A 6 24.902 -7.264 0.409 1.00 0.00 O ATOM 0 H SER A 6 22.117 -7.621 -1.483 1.00 0.00 H new ATOM 0 HA SER A 6 22.572 -7.177 1.402 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.962 -6.284 -1.137 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.143 -5.353 0.336 1.00 0.00 H new ATOM 0 HG SER A 6 24.638 -8.175 0.163 1.00 0.00 H new ATOM 59 N GLY A 7 20.523 -5.652 1.187 1.00 0.00 N ATOM 60 CA GLY A 7 19.571 -4.560 1.271 1.00 0.00 C ATOM 61 C GLY A 7 18.964 -4.215 -0.075 1.00 0.00 C ATOM 62 O GLY A 7 19.306 -3.208 -0.694 1.00 0.00 O ATOM 0 H GLY A 7 20.301 -6.460 1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.776 -4.828 1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.068 -3.680 1.679 1.00 0.00 H new ATOM 66 N PRO A 8 18.041 -5.066 -0.547 1.00 0.00 N ATOM 67 CA PRO A 8 17.367 -4.868 -1.834 1.00 0.00 C ATOM 68 C PRO A 8 16.404 -3.686 -1.807 1.00 0.00 C ATOM 69 O PRO A 8 15.361 -3.737 -1.157 1.00 0.00 O ATOM 70 CB PRO A 8 16.600 -6.177 -2.037 1.00 0.00 C ATOM 71 CG PRO A 8 16.383 -6.707 -0.662 1.00 0.00 C ATOM 72 CD PRO A 8 17.585 -6.287 0.138 1.00 0.00 C ATOM 0 HA PRO A 8 18.072 -4.643 -2.634 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.653 -6.006 -2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.169 -6.879 -2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 8 15.467 -6.306 -0.229 1.00 0.00 H new ATOM 0 HG3 PRO A 8 16.282 -7.792 -0.674 1.00 0.00 H new ATOM 0 HD2 PRO A 8 17.327 -6.091 1.179 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.356 -7.058 0.140 1.00 0.00 H new ATOM 80 N ASN A 9 16.762 -2.622 -2.519 1.00 0.00 N ATOM 81 CA ASN A 9 15.929 -1.426 -2.577 1.00 0.00 C ATOM 82 C ASN A 9 15.952 -0.814 -3.974 1.00 0.00 C ATOM 83 O ASN A 9 16.980 -0.826 -4.651 1.00 0.00 O ATOM 84 CB ASN A 9 16.406 -0.397 -1.549 1.00 0.00 C ATOM 85 CG ASN A 9 17.574 0.427 -2.056 1.00 0.00 C ATOM 86 OD1 ASN A 9 17.482 1.081 -3.095 1.00 0.00 O ATOM 87 ND2 ASN A 9 18.679 0.400 -1.321 1.00 0.00 N ATOM 0 H ASN A 9 17.623 -2.564 -3.063 1.00 0.00 H new ATOM 0 HA ASN A 9 14.904 -1.715 -2.344 1.00 0.00 H new ATOM 0 HB2 ASN A 9 15.580 0.267 -1.293 1.00 0.00 H new ATOM 0 HB3 ASN A 9 16.698 -0.911 -0.633 1.00 0.00 H new ATOM 0 HD21 ASN A 9 19.497 0.936 -1.610 1.00 0.00 H new ATOM 0 HD22 ASN A 9 18.710 -0.156 -0.467 1.00 0.00 H new ATOM 94 N ALA A 10 14.812 -0.279 -4.399 1.00 0.00 N ATOM 95 CA ALA A 10 14.702 0.340 -5.714 1.00 0.00 C ATOM 96 C ALA A 10 13.341 1.004 -5.896 1.00 0.00 C ATOM 97 O ALA A 10 12.412 0.758 -5.126 1.00 0.00 O ATOM 98 CB ALA A 10 14.938 -0.693 -6.805 1.00 0.00 C ATOM 0 H ALA A 10 13.952 -0.262 -3.851 1.00 0.00 H new ATOM 0 HA ALA A 10 15.467 1.113 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.853 -0.217 -7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.936 -1.118 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.195 -1.486 -6.722 1.00 0.00 H new ATOM 104 N SER A 11 13.230 1.846 -6.918 1.00 0.00 N ATOM 105 CA SER A 11 11.984 2.548 -7.199 1.00 0.00 C ATOM 106 C SER A 11 11.055 1.688 -8.050 1.00 0.00 C ATOM 107 O SER A 11 9.918 1.416 -7.666 1.00 0.00 O ATOM 108 CB SER A 11 12.268 3.871 -7.912 1.00 0.00 C ATOM 109 OG SER A 11 12.985 3.658 -9.116 1.00 0.00 O ATOM 0 H SER A 11 13.989 2.059 -7.566 1.00 0.00 H new ATOM 0 HA SER A 11 11.491 2.754 -6.249 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.329 4.379 -8.130 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.840 4.526 -7.255 1.00 0.00 H new ATOM 0 HG SER A 11 13.153 4.519 -9.554 1.00 0.00 H new ATOM 115 N GLN A 12 11.549 1.263 -9.209 1.00 0.00 N ATOM 116 CA GLN A 12 10.764 0.435 -10.116 1.00 0.00 C ATOM 117 C GLN A 12 10.322 -0.854 -9.431 1.00 0.00 C ATOM 118 O GLN A 12 9.159 -1.249 -9.519 1.00 0.00 O ATOM 119 CB GLN A 12 11.574 0.107 -11.372 1.00 0.00 C ATOM 120 CG GLN A 12 10.869 -0.852 -12.317 1.00 0.00 C ATOM 121 CD GLN A 12 11.187 -2.304 -12.018 1.00 0.00 C ATOM 122 OE1 GLN A 12 11.590 -2.648 -10.907 1.00 0.00 O ATOM 123 NE2 GLN A 12 11.007 -3.166 -13.012 1.00 0.00 N ATOM 0 H GLN A 12 12.489 1.479 -9.541 1.00 0.00 H new ATOM 0 HA GLN A 12 9.875 0.997 -10.402 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.794 1.032 -11.904 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.530 -0.325 -11.075 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.792 -0.698 -12.248 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.159 -0.624 -13.343 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.671 -2.838 -13.917 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.205 -4.157 -12.870 1.00 0.00 H new ATOM 132 N SER A 13 11.258 -1.507 -8.750 1.00 0.00 N ATOM 133 CA SER A 13 10.966 -2.755 -8.053 1.00 0.00 C ATOM 134 C SER A 13 9.644 -2.659 -7.298 1.00 0.00 C ATOM 135 O SER A 13 8.790 -3.541 -7.403 1.00 0.00 O ATOM 136 CB SER A 13 12.097 -3.097 -7.081 1.00 0.00 C ATOM 137 OG SER A 13 11.984 -4.431 -6.616 1.00 0.00 O ATOM 0 H SER A 13 12.225 -1.193 -8.666 1.00 0.00 H new ATOM 0 HA SER A 13 10.883 -3.547 -8.797 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.059 -2.961 -7.575 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.074 -2.410 -6.235 1.00 0.00 H new ATOM 0 HG SER A 13 12.719 -4.625 -5.998 1.00 0.00 H new ATOM 143 N LEU A 14 9.481 -1.582 -6.537 1.00 0.00 N ATOM 144 CA LEU A 14 8.263 -1.369 -5.764 1.00 0.00 C ATOM 145 C LEU A 14 7.063 -1.164 -6.683 1.00 0.00 C ATOM 146 O LEU A 14 6.172 -2.011 -6.758 1.00 0.00 O ATOM 147 CB LEU A 14 8.426 -0.160 -4.841 1.00 0.00 C ATOM 148 CG LEU A 14 7.313 0.056 -3.815 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.255 -1.108 -2.837 1.00 0.00 C ATOM 150 CD2 LEU A 14 7.519 1.368 -3.073 1.00 0.00 C ATOM 0 H LEU A 14 10.177 -0.843 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 14 8.086 -2.258 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.371 -0.261 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.503 0.735 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 14 6.362 0.107 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.457 -0.937 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.059 -2.032 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.207 -1.191 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.718 1.505 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.478 1.347 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.509 2.194 -3.784 1.00 0.00 H new ATOM 162 N LEU A 15 7.047 -0.035 -7.383 1.00 0.00 N ATOM 163 CA LEU A 15 5.958 0.282 -8.300 1.00 0.00 C ATOM 164 C LEU A 15 5.476 -0.970 -9.026 1.00 0.00 C ATOM 165 O LEU A 15 4.303 -1.082 -9.381 1.00 0.00 O ATOM 166 CB LEU A 15 6.409 1.333 -9.316 1.00 0.00 C ATOM 167 CG LEU A 15 5.295 2.107 -10.021 1.00 0.00 C ATOM 168 CD1 LEU A 15 4.888 3.322 -9.202 1.00 0.00 C ATOM 169 CD2 LEU A 15 5.736 2.524 -11.416 1.00 0.00 C ATOM 0 H LEU A 15 7.776 0.676 -7.333 1.00 0.00 H new ATOM 0 HA LEU A 15 5.130 0.683 -7.716 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.055 2.048 -8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.017 0.839 -10.074 1.00 0.00 H new ATOM 0 HG LEU A 15 4.428 1.453 -10.116 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.094 3.860 -9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.530 2.999 -8.225 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.748 3.979 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.931 3.074 -11.903 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.618 3.160 -11.344 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.976 1.637 -12.002 1.00 0.00 H new ATOM 181 N VAL A 16 6.390 -1.911 -9.242 1.00 0.00 N ATOM 182 CA VAL A 16 6.059 -3.157 -9.923 1.00 0.00 C ATOM 183 C VAL A 16 5.412 -4.151 -8.965 1.00 0.00 C ATOM 184 O VAL A 16 4.366 -4.727 -9.265 1.00 0.00 O ATOM 185 CB VAL A 16 7.308 -3.804 -10.550 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.951 -5.127 -11.209 1.00 0.00 C ATOM 187 CG2 VAL A 16 7.951 -2.857 -11.552 1.00 0.00 C ATOM 0 H VAL A 16 7.366 -1.834 -8.955 1.00 0.00 H new ATOM 0 HA VAL A 16 5.353 -2.907 -10.715 1.00 0.00 H new ATOM 0 HB VAL A 16 8.029 -4.004 -9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.846 -5.569 -11.646 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.539 -5.806 -10.462 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.212 -4.956 -11.991 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.832 -3.330 -11.986 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.238 -2.625 -12.343 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.245 -1.937 -11.047 1.00 0.00 H new ATOM 197 N TRP A 17 6.041 -4.348 -7.812 1.00 0.00 N ATOM 198 CA TRP A 17 5.526 -5.273 -6.809 1.00 0.00 C ATOM 199 C TRP A 17 4.042 -5.034 -6.559 1.00 0.00 C ATOM 200 O TRP A 17 3.256 -5.979 -6.477 1.00 0.00 O ATOM 201 CB TRP A 17 6.307 -5.127 -5.502 1.00 0.00 C ATOM 202 CG TRP A 17 5.963 -6.172 -4.484 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.524 -7.411 -4.360 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.979 -6.069 -3.449 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.948 -8.085 -3.311 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.998 -7.283 -2.735 1.00 0.00 C ATOM 207 CE3 TRP A 17 4.086 -5.069 -3.055 1.00 0.00 C ATOM 208 CZ2 TRP A 17 4.157 -7.522 -1.651 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.252 -5.308 -1.979 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.292 -6.526 -1.287 1.00 0.00 C ATOM 0 H TRP A 17 6.908 -3.880 -7.548 1.00 0.00 H new ATOM 0 HA TRP A 17 5.652 -6.287 -7.188 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.374 -5.177 -5.717 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.113 -4.141 -5.080 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.306 -7.803 -4.994 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.188 -9.029 -3.010 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.048 -4.127 -3.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.186 -8.460 -1.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.557 -4.543 -1.666 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.627 -6.682 -0.450 1.00 0.00 H new ATOM 221 N CYS A 18 3.663 -3.766 -6.437 1.00 0.00 N ATOM 222 CA CYS A 18 2.271 -3.404 -6.195 1.00 0.00 C ATOM 223 C CYS A 18 1.422 -3.648 -7.439 1.00 0.00 C ATOM 224 O CYS A 18 0.328 -4.207 -7.357 1.00 0.00 O ATOM 225 CB CYS A 18 2.171 -1.937 -5.774 1.00 0.00 C ATOM 226 SG CYS A 18 3.029 -0.791 -6.878 1.00 0.00 S ATOM 0 H CYS A 18 4.300 -2.972 -6.502 1.00 0.00 H new ATOM 0 HA CYS A 18 1.892 -4.033 -5.389 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.119 -1.656 -5.723 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.579 -1.830 -4.769 1.00 0.00 H new ATOM 0 HG CYS A 18 3.501 -1.443 -7.899 1.00 0.00 H new ATOM 232 N LYS A 19 1.932 -3.222 -8.590 1.00 0.00 N ATOM 233 CA LYS A 19 1.221 -3.393 -9.851 1.00 0.00 C ATOM 234 C LYS A 19 1.083 -4.871 -10.202 1.00 0.00 C ATOM 235 O LYS A 19 0.199 -5.257 -10.966 1.00 0.00 O ATOM 236 CB LYS A 19 1.953 -2.658 -10.976 1.00 0.00 C ATOM 237 CG LYS A 19 1.775 -1.150 -10.933 1.00 0.00 C ATOM 238 CD LYS A 19 2.842 -0.439 -11.749 1.00 0.00 C ATOM 239 CE LYS A 19 2.418 -0.276 -13.200 1.00 0.00 C ATOM 240 NZ LYS A 19 3.443 0.450 -14.000 1.00 0.00 N ATOM 0 H LYS A 19 2.835 -2.756 -8.675 1.00 0.00 H new ATOM 0 HA LYS A 19 0.223 -2.970 -9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.016 -2.892 -10.920 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.595 -3.031 -11.936 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.788 -0.888 -11.315 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.817 -0.807 -9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.041 0.541 -11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.773 -1.003 -11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.243 -1.258 -13.640 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.473 0.266 -13.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.116 0.540 -14.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.592 1.397 -13.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.338 -0.079 -13.980 1.00 0.00 H new ATOM 254 N GLU A 20 1.961 -5.694 -9.637 1.00 0.00 N ATOM 255 CA GLU A 20 1.935 -7.129 -9.891 1.00 0.00 C ATOM 256 C GLU A 20 0.788 -7.795 -9.135 1.00 0.00 C ATOM 257 O GLU A 20 -0.114 -8.374 -9.740 1.00 0.00 O ATOM 258 CB GLU A 20 3.266 -7.766 -9.483 1.00 0.00 C ATOM 259 CG GLU A 20 3.550 -9.084 -10.184 1.00 0.00 C ATOM 260 CD GLU A 20 5.025 -9.435 -10.189 1.00 0.00 C ATOM 261 OE1 GLU A 20 5.770 -8.861 -11.010 1.00 0.00 O ATOM 262 OE2 GLU A 20 5.435 -10.286 -9.371 1.00 0.00 O ATOM 0 H GLU A 20 2.699 -5.391 -9.001 1.00 0.00 H new ATOM 0 HA GLU A 20 1.780 -7.280 -10.959 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.075 -7.068 -9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.266 -7.930 -8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.992 -9.881 -9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.190 -9.030 -11.211 1.00 0.00 H new ATOM 269 N VAL A 21 0.831 -7.707 -7.810 1.00 0.00 N ATOM 270 CA VAL A 21 -0.204 -8.299 -6.971 1.00 0.00 C ATOM 271 C VAL A 21 -1.578 -7.734 -7.312 1.00 0.00 C ATOM 272 O VAL A 21 -2.606 -8.326 -6.982 1.00 0.00 O ATOM 273 CB VAL A 21 0.080 -8.060 -5.476 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.537 -8.357 -5.155 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.281 -6.635 -5.086 1.00 0.00 C ATOM 0 H VAL A 21 1.571 -7.231 -7.294 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.196 -9.371 -7.168 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.541 -8.740 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.719 -8.183 -4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.758 -9.397 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.180 -7.704 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.074 -6.484 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.312 -5.935 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.340 -6.463 -5.277 1.00 0.00 H new ATOM 285 N THR A 22 -1.590 -6.582 -7.977 1.00 0.00 N ATOM 286 CA THR A 22 -2.838 -5.936 -8.363 1.00 0.00 C ATOM 287 C THR A 22 -3.027 -5.965 -9.875 1.00 0.00 C ATOM 288 O THR A 22 -3.802 -5.185 -10.430 1.00 0.00 O ATOM 289 CB THR A 22 -2.886 -4.474 -7.879 1.00 0.00 C ATOM 290 OG1 THR A 22 -1.824 -3.724 -8.480 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.771 -4.401 -6.364 1.00 0.00 C ATOM 0 H THR A 22 -0.749 -6.078 -8.259 1.00 0.00 H new ATOM 0 HA THR A 22 -3.644 -6.495 -7.888 1.00 0.00 H new ATOM 0 HB THR A 22 -3.844 -4.048 -8.175 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.139 -3.530 -7.807 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.807 -3.359 -6.046 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.597 -4.948 -5.910 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.826 -4.844 -6.049 1.00 0.00 H new ATOM 299 N LYS A 23 -2.316 -6.871 -10.538 1.00 0.00 N ATOM 300 CA LYS A 23 -2.407 -7.004 -11.987 1.00 0.00 C ATOM 301 C LYS A 23 -3.818 -7.399 -12.410 1.00 0.00 C ATOM 302 O LYS A 23 -4.326 -6.928 -13.427 1.00 0.00 O ATOM 303 CB LYS A 23 -1.403 -8.045 -12.488 1.00 0.00 C ATOM 304 CG LYS A 23 -1.765 -9.471 -12.108 1.00 0.00 C ATOM 305 CD LYS A 23 -0.545 -10.377 -12.117 1.00 0.00 C ATOM 306 CE LYS A 23 -0.683 -11.506 -11.106 1.00 0.00 C ATOM 307 NZ LYS A 23 -0.678 -11.000 -9.706 1.00 0.00 N ATOM 0 H LYS A 23 -1.670 -7.524 -10.095 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.171 -6.037 -12.431 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.330 -7.974 -13.573 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.417 -7.810 -12.086 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.219 -9.480 -11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.510 -9.856 -12.804 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.408 -10.795 -13.114 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.346 -9.792 -11.891 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.609 -12.049 -11.293 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.134 -12.215 -11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.020 -11.531 -9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.428 -9.990 -9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.622 -11.125 -9.288 1.00 0.00 H new ATOM 321 N ASN A 24 -4.447 -8.264 -11.621 1.00 0.00 N ATOM 322 CA ASN A 24 -5.801 -8.721 -11.914 1.00 0.00 C ATOM 323 C ASN A 24 -6.819 -8.008 -11.029 1.00 0.00 C ATOM 324 O ASN A 24 -7.710 -8.637 -10.459 1.00 0.00 O ATOM 325 CB ASN A 24 -5.906 -10.234 -11.713 1.00 0.00 C ATOM 326 CG ASN A 24 -5.161 -10.707 -10.480 1.00 0.00 C ATOM 327 OD1 ASN A 24 -5.412 -10.235 -9.371 1.00 0.00 O ATOM 328 ND2 ASN A 24 -4.238 -11.643 -10.668 1.00 0.00 N ATOM 0 H ASN A 24 -4.041 -8.662 -10.774 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.020 -8.483 -12.955 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.956 -10.515 -11.630 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.509 -10.743 -12.591 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.704 -11.999 -9.875 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.063 -12.006 -11.605 1.00 0.00 H new ATOM 335 N TYR A 25 -6.680 -6.691 -10.920 1.00 0.00 N ATOM 336 CA TYR A 25 -7.586 -5.892 -10.104 1.00 0.00 C ATOM 337 C TYR A 25 -8.310 -4.852 -10.952 1.00 0.00 C ATOM 338 O TYR A 25 -7.981 -4.649 -12.121 1.00 0.00 O ATOM 339 CB TYR A 25 -6.816 -5.201 -8.977 1.00 0.00 C ATOM 340 CG TYR A 25 -6.571 -6.089 -7.778 1.00 0.00 C ATOM 341 CD1 TYR A 25 -5.888 -7.293 -7.907 1.00 0.00 C ATOM 342 CD2 TYR A 25 -7.021 -5.724 -6.515 1.00 0.00 C ATOM 343 CE1 TYR A 25 -5.663 -8.107 -6.815 1.00 0.00 C ATOM 344 CE2 TYR A 25 -6.799 -6.532 -5.416 1.00 0.00 C ATOM 345 CZ TYR A 25 -6.120 -7.723 -5.572 1.00 0.00 C ATOM 346 OH TYR A 25 -5.896 -8.530 -4.480 1.00 0.00 O ATOM 0 H TYR A 25 -5.949 -6.155 -11.387 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.329 -6.561 -9.670 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.858 -4.853 -9.363 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.370 -4.318 -8.658 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.527 -7.597 -8.879 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.553 -4.793 -6.390 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.132 -9.040 -6.934 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.155 -6.233 -4.441 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.681 -7.975 -3.702 1.00 0.00 H new ATOM 356 N ARG A 26 -9.298 -4.194 -10.355 1.00 0.00 N ATOM 357 CA ARG A 26 -10.070 -3.174 -11.055 1.00 0.00 C ATOM 358 C ARG A 26 -9.849 -1.800 -10.429 1.00 0.00 C ATOM 359 O ARG A 26 -9.998 -1.625 -9.221 1.00 0.00 O ATOM 360 CB ARG A 26 -11.559 -3.524 -11.029 1.00 0.00 C ATOM 361 CG ARG A 26 -11.922 -4.705 -11.914 1.00 0.00 C ATOM 362 CD ARG A 26 -11.447 -6.018 -11.312 1.00 0.00 C ATOM 363 NE ARG A 26 -12.046 -6.270 -10.004 1.00 0.00 N ATOM 364 CZ ARG A 26 -13.290 -6.704 -9.837 1.00 0.00 C ATOM 365 NH1 ARG A 26 -14.063 -6.934 -10.889 1.00 0.00 N ATOM 366 NH2 ARG A 26 -13.764 -6.909 -8.614 1.00 0.00 N ATOM 0 H ARG A 26 -9.583 -4.349 -9.388 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.729 -3.142 -12.090 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.854 -3.745 -10.003 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.134 -2.654 -11.345 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.002 -4.737 -12.054 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.476 -4.573 -12.900 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.694 -6.837 -11.988 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.361 -6.001 -11.216 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.478 -6.104 -9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.703 -6.778 -11.830 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.018 -7.267 -10.757 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.173 -6.733 -7.802 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.720 -7.242 -8.487 1.00 0.00 H new ATOM 380 N GLY A 27 -9.491 -0.827 -11.262 1.00 0.00 N ATOM 381 CA GLY A 27 -9.253 0.519 -10.772 1.00 0.00 C ATOM 382 C GLY A 27 -7.956 0.634 -9.998 1.00 0.00 C ATOM 383 O GLY A 27 -7.838 1.454 -9.087 1.00 0.00 O ATOM 0 H GLY A 27 -9.362 -0.947 -12.267 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.232 1.210 -11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.082 0.821 -10.132 1.00 0.00 H new ATOM 387 N VAL A 28 -6.978 -0.191 -10.358 1.00 0.00 N ATOM 388 CA VAL A 28 -5.682 -0.179 -9.690 1.00 0.00 C ATOM 389 C VAL A 28 -4.577 0.262 -10.643 1.00 0.00 C ATOM 390 O VAL A 28 -3.975 -0.559 -11.337 1.00 0.00 O ATOM 391 CB VAL A 28 -5.331 -1.567 -9.122 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.999 -1.522 -8.388 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.438 -2.062 -8.203 1.00 0.00 C ATOM 0 H VAL A 28 -7.059 -0.876 -11.109 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.755 0.534 -8.869 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.238 -2.267 -9.952 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.767 -2.511 -7.993 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.214 -1.213 -9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.060 -0.809 -7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.173 -3.044 -7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.564 -1.363 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.370 -2.134 -8.763 1.00 0.00 H new ATOM 403 N LYS A 29 -4.313 1.564 -10.673 1.00 0.00 N ATOM 404 CA LYS A 29 -3.279 2.116 -11.539 1.00 0.00 C ATOM 405 C LYS A 29 -2.226 2.860 -10.723 1.00 0.00 C ATOM 406 O LYS A 29 -2.318 4.073 -10.532 1.00 0.00 O ATOM 407 CB LYS A 29 -3.900 3.060 -12.571 1.00 0.00 C ATOM 408 CG LYS A 29 -3.136 3.114 -13.883 1.00 0.00 C ATOM 409 CD LYS A 29 -3.577 4.290 -14.737 1.00 0.00 C ATOM 410 CE LYS A 29 -3.113 4.138 -16.178 1.00 0.00 C ATOM 411 NZ LYS A 29 -3.820 3.027 -16.874 1.00 0.00 N ATOM 0 H LYS A 29 -4.802 2.257 -10.106 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.794 1.289 -12.057 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.924 2.745 -12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.951 4.063 -12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.068 3.191 -13.680 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.290 2.186 -14.433 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.664 4.373 -14.710 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.176 5.214 -14.320 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.285 5.071 -16.715 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.039 3.953 -16.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.731 3.149 -17.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.398 2.118 -16.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.826 3.037 -16.610 1.00 0.00 H new ATOM 425 N ILE A 30 -1.226 2.126 -10.246 1.00 0.00 N ATOM 426 CA ILE A 30 -0.156 2.717 -9.454 1.00 0.00 C ATOM 427 C ILE A 30 0.663 3.701 -10.283 1.00 0.00 C ATOM 428 O ILE A 30 1.799 3.416 -10.664 1.00 0.00 O ATOM 429 CB ILE A 30 0.784 1.638 -8.883 1.00 0.00 C ATOM 430 CG1 ILE A 30 0.021 0.721 -7.926 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.966 2.285 -8.176 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.598 -0.481 -8.606 1.00 0.00 C ATOM 0 H ILE A 30 -1.135 1.121 -10.395 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.631 3.248 -8.629 1.00 0.00 H new ATOM 0 HB ILE A 30 1.165 1.035 -9.708 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.700 0.377 -7.146 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.765 1.295 -7.434 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.621 1.510 -7.778 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.521 2.901 -8.884 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.604 2.909 -7.359 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.123 -1.087 -7.867 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.302 -0.146 -9.367 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.185 -1.078 -9.074 1.00 0.00 H new ATOM 444 N THR A 31 0.079 4.863 -10.558 1.00 0.00 N ATOM 445 CA THR A 31 0.753 5.891 -11.341 1.00 0.00 C ATOM 446 C THR A 31 1.738 6.678 -10.484 1.00 0.00 C ATOM 447 O THR A 31 2.826 7.029 -10.937 1.00 0.00 O ATOM 448 CB THR A 31 -0.256 6.869 -11.972 1.00 0.00 C ATOM 449 OG1 THR A 31 -1.145 7.371 -10.968 1.00 0.00 O ATOM 450 CG2 THR A 31 -1.057 6.187 -13.071 1.00 0.00 C ATOM 0 H THR A 31 -0.860 5.116 -10.250 1.00 0.00 H new ATOM 0 HA THR A 31 1.296 5.378 -12.135 1.00 0.00 H new ATOM 0 HB THR A 31 0.300 7.697 -12.411 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.782 7.993 -11.377 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.763 6.898 -13.501 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.380 5.832 -13.848 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.603 5.342 -12.652 1.00 0.00 H new ATOM 458 N ASN A 32 1.349 6.950 -9.243 1.00 0.00 N ATOM 459 CA ASN A 32 2.199 7.695 -8.321 1.00 0.00 C ATOM 460 C ASN A 32 2.189 7.058 -6.935 1.00 0.00 C ATOM 461 O ASN A 32 1.338 6.222 -6.630 1.00 0.00 O ATOM 462 CB ASN A 32 1.734 9.150 -8.229 1.00 0.00 C ATOM 463 CG ASN A 32 0.249 9.301 -8.499 1.00 0.00 C ATOM 464 OD1 ASN A 32 -0.566 8.530 -7.993 1.00 0.00 O ATOM 465 ND2 ASN A 32 -0.108 10.297 -9.301 1.00 0.00 N ATOM 0 H ASN A 32 0.451 6.666 -8.852 1.00 0.00 H new ATOM 0 HA ASN A 32 3.219 7.669 -8.705 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.961 9.539 -7.237 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.294 9.753 -8.944 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.093 10.447 -9.520 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.603 10.912 -9.698 1.00 0.00 H new ATOM 472 N PHE A 33 3.141 7.458 -6.099 1.00 0.00 N ATOM 473 CA PHE A 33 3.243 6.926 -4.745 1.00 0.00 C ATOM 474 C PHE A 33 2.681 7.916 -3.729 1.00 0.00 C ATOM 475 O PHE A 33 2.788 7.710 -2.519 1.00 0.00 O ATOM 476 CB PHE A 33 4.701 6.605 -4.409 1.00 0.00 C ATOM 477 CG PHE A 33 5.167 5.288 -4.960 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.688 4.096 -4.441 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.084 5.242 -5.997 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.116 2.883 -4.946 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.516 4.032 -6.507 1.00 0.00 C ATOM 482 CZ PHE A 33 6.030 2.851 -5.981 1.00 0.00 C ATOM 0 H PHE A 33 3.853 8.149 -6.335 1.00 0.00 H new ATOM 0 HA PHE A 33 2.656 6.009 -4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.338 7.399 -4.798 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.823 6.600 -3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.972 4.115 -3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.466 6.163 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.736 1.961 -4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.232 4.010 -7.315 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.364 1.904 -6.378 1.00 0.00 H new ATOM 492 N THR A 34 2.080 8.992 -4.228 1.00 0.00 N ATOM 493 CA THR A 34 1.503 10.014 -3.365 1.00 0.00 C ATOM 494 C THR A 34 -0.021 9.955 -3.386 1.00 0.00 C ATOM 495 O THR A 34 -0.658 9.734 -2.356 1.00 0.00 O ATOM 496 CB THR A 34 1.956 11.425 -3.785 1.00 0.00 C ATOM 497 OG1 THR A 34 1.748 11.609 -5.190 1.00 0.00 O ATOM 498 CG2 THR A 34 3.424 11.643 -3.452 1.00 0.00 C ATOM 0 H THR A 34 1.981 9.178 -5.226 1.00 0.00 H new ATOM 0 HA THR A 34 1.858 9.812 -2.355 1.00 0.00 H new ATOM 0 HB THR A 34 1.362 12.153 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.037 12.509 -5.448 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.721 12.646 -3.758 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.574 11.531 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.030 10.908 -3.981 1.00 0.00 H new ATOM 506 N THR A 35 -0.600 10.153 -4.567 1.00 0.00 N ATOM 507 CA THR A 35 -2.049 10.122 -4.722 1.00 0.00 C ATOM 508 C THR A 35 -2.561 8.690 -4.821 1.00 0.00 C ATOM 509 O THR A 35 -3.443 8.282 -4.066 1.00 0.00 O ATOM 510 CB THR A 35 -2.496 10.903 -5.971 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.722 10.498 -7.106 1.00 0.00 O ATOM 512 CG2 THR A 35 -2.345 12.401 -5.756 1.00 0.00 C ATOM 0 H THR A 35 -0.087 10.336 -5.429 1.00 0.00 H new ATOM 0 HA THR A 35 -2.472 10.595 -3.836 1.00 0.00 H new ATOM 0 HB THR A 35 -3.548 10.683 -6.152 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.885 9.550 -7.292 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.667 12.931 -6.652 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.959 12.711 -4.910 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.300 12.636 -5.551 1.00 0.00 H new ATOM 520 N SER A 36 -2.001 7.929 -5.757 1.00 0.00 N ATOM 521 CA SER A 36 -2.404 6.542 -5.956 1.00 0.00 C ATOM 522 C SER A 36 -2.707 5.867 -4.622 1.00 0.00 C ATOM 523 O SER A 36 -3.564 4.987 -4.540 1.00 0.00 O ATOM 524 CB SER A 36 -1.306 5.771 -6.693 1.00 0.00 C ATOM 525 OG SER A 36 -1.848 4.678 -7.414 1.00 0.00 O ATOM 0 H SER A 36 -1.267 8.250 -6.389 1.00 0.00 H new ATOM 0 HA SER A 36 -3.311 6.536 -6.560 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.784 6.440 -7.378 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.568 5.409 -5.977 1.00 0.00 H new ATOM 0 HG SER A 36 -2.584 4.281 -6.902 1.00 0.00 H new ATOM 531 N TRP A 37 -1.999 6.286 -3.580 1.00 0.00 N ATOM 532 CA TRP A 37 -2.191 5.722 -2.249 1.00 0.00 C ATOM 533 C TRP A 37 -2.921 6.706 -1.341 1.00 0.00 C ATOM 534 O TRP A 37 -3.522 6.314 -0.341 1.00 0.00 O ATOM 535 CB TRP A 37 -0.843 5.344 -1.632 1.00 0.00 C ATOM 536 CG TRP A 37 0.046 4.585 -2.569 1.00 0.00 C ATOM 537 CD1 TRP A 37 0.803 5.102 -3.581 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.269 3.171 -2.582 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.484 4.095 -4.222 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.174 2.901 -3.627 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.205 2.106 -1.810 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.610 1.611 -3.919 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.229 0.827 -2.102 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.129 0.588 -3.148 1.00 0.00 C ATOM 0 H TRP A 37 -1.287 7.014 -3.631 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.802 4.824 -2.347 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.331 6.251 -1.311 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.016 4.743 -0.739 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.858 6.149 -3.840 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.117 4.217 -5.012 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.898 2.280 -1.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.303 1.425 -4.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.132 -0.003 -1.513 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.450 -0.423 -3.350 1.00 0.00 H new ATOM 555 N ARG A 38 -2.865 7.986 -1.697 1.00 0.00 N ATOM 556 CA ARG A 38 -3.521 9.026 -0.913 1.00 0.00 C ATOM 557 C ARG A 38 -4.856 8.532 -0.364 1.00 0.00 C ATOM 558 O ARG A 38 -5.142 8.679 0.824 1.00 0.00 O ATOM 559 CB ARG A 38 -3.740 10.276 -1.767 1.00 0.00 C ATOM 560 CG ARG A 38 -4.799 11.214 -1.213 1.00 0.00 C ATOM 561 CD ARG A 38 -4.823 12.535 -1.967 1.00 0.00 C ATOM 562 NE ARG A 38 -5.512 12.420 -3.250 1.00 0.00 N ATOM 563 CZ ARG A 38 -5.676 13.436 -4.089 1.00 0.00 C ATOM 564 NH1 ARG A 38 -5.204 14.636 -3.783 1.00 0.00 N ATOM 565 NH2 ARG A 38 -6.314 13.253 -5.238 1.00 0.00 N ATOM 0 H ARG A 38 -2.373 8.327 -2.523 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.873 9.277 -0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.797 10.816 -1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.027 9.972 -2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.778 10.739 -1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.605 11.400 -0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.316 13.292 -1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.801 12.876 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.888 11.510 -3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.713 14.781 -2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.332 15.414 -4.430 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.679 12.331 -5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.439 14.034 -5.882 1.00 0.00 H new ATOM 579 N ASN A 39 -5.670 7.947 -1.237 1.00 0.00 N ATOM 580 CA ASN A 39 -6.975 7.433 -0.839 1.00 0.00 C ATOM 581 C ASN A 39 -6.830 6.150 -0.026 1.00 0.00 C ATOM 582 O ASN A 39 -7.389 6.026 1.063 1.00 0.00 O ATOM 583 CB ASN A 39 -7.841 7.172 -2.073 1.00 0.00 C ATOM 584 CG ASN A 39 -7.035 6.644 -3.245 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.885 6.234 -3.086 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.637 6.653 -4.428 1.00 0.00 N ATOM 0 H ASN A 39 -5.449 7.817 -2.224 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.459 8.185 -0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.622 6.455 -1.820 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.340 8.096 -2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.145 6.311 -5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.592 7.002 -4.512 1.00 0.00 H new ATOM 593 N GLY A 40 -6.074 5.197 -0.564 1.00 0.00 N ATOM 594 CA GLY A 40 -5.868 3.936 0.125 1.00 0.00 C ATOM 595 C GLY A 40 -6.393 2.753 -0.663 1.00 0.00 C ATOM 596 O GLY A 40 -6.885 1.782 -0.086 1.00 0.00 O ATOM 0 H GLY A 40 -5.601 5.276 -1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.803 3.799 0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.363 3.971 1.096 1.00 0.00 H new ATOM 600 N LEU A 41 -6.289 2.832 -1.985 1.00 0.00 N ATOM 601 CA LEU A 41 -6.759 1.759 -2.855 1.00 0.00 C ATOM 602 C LEU A 41 -5.722 0.644 -2.953 1.00 0.00 C ATOM 603 O LEU A 41 -5.983 -0.495 -2.567 1.00 0.00 O ATOM 604 CB LEU A 41 -7.071 2.305 -4.249 1.00 0.00 C ATOM 605 CG LEU A 41 -8.405 3.036 -4.401 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.698 3.314 -5.867 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.531 2.227 -3.773 1.00 0.00 C ATOM 0 H LEU A 41 -5.884 3.628 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.670 1.346 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.271 2.987 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.052 1.475 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.336 3.990 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.651 3.835 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.906 3.935 -6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.747 2.372 -6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.473 2.762 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.601 1.257 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.326 2.081 -2.712 1.00 0.00 H new ATOM 619 N SER A 42 -4.545 0.981 -3.470 1.00 0.00 N ATOM 620 CA SER A 42 -3.469 0.009 -3.620 1.00 0.00 C ATOM 621 C SER A 42 -3.183 -0.693 -2.296 1.00 0.00 C ATOM 622 O SER A 42 -2.829 -1.872 -2.269 1.00 0.00 O ATOM 623 CB SER A 42 -2.201 0.694 -4.131 1.00 0.00 C ATOM 624 OG SER A 42 -2.433 1.336 -5.373 1.00 0.00 O ATOM 0 H SER A 42 -4.312 1.920 -3.792 1.00 0.00 H new ATOM 0 HA SER A 42 -3.787 -0.738 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.859 1.425 -3.399 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.405 -0.043 -4.242 1.00 0.00 H new ATOM 0 HG SER A 42 -1.743 2.015 -5.524 1.00 0.00 H new ATOM 630 N PHE A 43 -3.339 0.040 -1.199 1.00 0.00 N ATOM 631 CA PHE A 43 -3.097 -0.511 0.130 1.00 0.00 C ATOM 632 C PHE A 43 -4.051 -1.665 0.422 1.00 0.00 C ATOM 633 O PHE A 43 -3.647 -2.696 0.961 1.00 0.00 O ATOM 634 CB PHE A 43 -3.254 0.578 1.193 1.00 0.00 C ATOM 635 CG PHE A 43 -2.008 1.388 1.411 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.802 0.766 1.690 1.00 0.00 C ATOM 637 CD2 PHE A 43 -2.043 2.771 1.337 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.346 1.508 1.892 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.898 3.519 1.538 1.00 0.00 C ATOM 640 CZ PHE A 43 0.298 2.887 1.814 1.00 0.00 C ATOM 0 H PHE A 43 -3.632 1.017 -1.203 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.076 -0.891 0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.065 1.245 0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.546 0.115 2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.759 -0.311 1.750 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.976 3.270 1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.280 1.011 2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.939 4.597 1.479 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.194 3.469 1.969 1.00 0.00 H new ATOM 650 N CYS A 44 -5.317 -1.483 0.064 1.00 0.00 N ATOM 651 CA CYS A 44 -6.330 -2.508 0.289 1.00 0.00 C ATOM 652 C CYS A 44 -6.241 -3.602 -0.769 1.00 0.00 C ATOM 653 O CYS A 44 -6.491 -4.774 -0.488 1.00 0.00 O ATOM 654 CB CYS A 44 -7.727 -1.885 0.280 1.00 0.00 C ATOM 655 SG CYS A 44 -8.144 -0.985 1.791 1.00 0.00 S ATOM 0 H CYS A 44 -5.667 -0.636 -0.383 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.147 -2.957 1.265 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.804 -1.205 -0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.464 -2.673 0.124 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.374 0.056 1.903 1.00 0.00 H new ATOM 661 N ALA A 45 -5.884 -3.211 -1.989 1.00 0.00 N ATOM 662 CA ALA A 45 -5.762 -4.159 -3.089 1.00 0.00 C ATOM 663 C ALA A 45 -4.698 -5.211 -2.793 1.00 0.00 C ATOM 664 O ALA A 45 -4.927 -6.407 -2.976 1.00 0.00 O ATOM 665 CB ALA A 45 -5.436 -3.426 -4.383 1.00 0.00 C ATOM 0 H ALA A 45 -5.675 -2.245 -2.239 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.718 -4.670 -3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.348 -4.146 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.232 -2.717 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.494 -2.889 -4.270 1.00 0.00 H new ATOM 671 N ILE A 46 -3.536 -4.758 -2.335 1.00 0.00 N ATOM 672 CA ILE A 46 -2.439 -5.661 -2.013 1.00 0.00 C ATOM 673 C ILE A 46 -2.854 -6.675 -0.952 1.00 0.00 C ATOM 674 O ILE A 46 -2.811 -7.884 -1.184 1.00 0.00 O ATOM 675 CB ILE A 46 -1.203 -4.889 -1.512 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.653 -3.990 -2.621 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.134 -5.858 -1.028 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.303 -2.930 -2.121 1.00 0.00 C ATOM 0 H ILE A 46 -3.330 -3.771 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.182 -6.186 -2.933 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.501 -4.259 -0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.143 -4.609 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.485 -3.505 -3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.733 -5.298 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.532 -6.460 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.164 -6.511 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.653 -2.330 -2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.209 -2.287 -1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.155 -3.408 -1.636 1.00 0.00 H new ATOM 690 N LEU A 47 -3.258 -6.176 0.210 1.00 0.00 N ATOM 691 CA LEU A 47 -3.684 -7.038 1.307 1.00 0.00 C ATOM 692 C LEU A 47 -4.792 -7.985 0.856 1.00 0.00 C ATOM 693 O LEU A 47 -4.933 -9.088 1.385 1.00 0.00 O ATOM 694 CB LEU A 47 -4.168 -6.194 2.487 1.00 0.00 C ATOM 695 CG LEU A 47 -4.482 -6.958 3.774 1.00 0.00 C ATOM 696 CD1 LEU A 47 -3.221 -7.592 4.340 1.00 0.00 C ATOM 697 CD2 LEU A 47 -5.122 -6.033 4.800 1.00 0.00 C ATOM 0 H LEU A 47 -3.300 -5.178 0.418 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.827 -7.634 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.407 -5.445 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.065 -5.656 2.180 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.189 -7.753 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.464 -8.131 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.804 -8.286 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.490 -6.814 4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.339 -6.593 5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.438 -5.217 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.049 -5.626 4.395 1.00 0.00 H new ATOM 709 N HIS A 48 -5.575 -7.547 -0.125 1.00 0.00 N ATOM 710 CA HIS A 48 -6.669 -8.357 -0.649 1.00 0.00 C ATOM 711 C HIS A 48 -6.136 -9.496 -1.513 1.00 0.00 C ATOM 712 O HIS A 48 -6.750 -10.560 -1.604 1.00 0.00 O ATOM 713 CB HIS A 48 -7.629 -7.489 -1.463 1.00 0.00 C ATOM 714 CG HIS A 48 -8.825 -8.234 -1.971 1.00 0.00 C ATOM 715 ND1 HIS A 48 -8.766 -9.130 -3.017 1.00 0.00 N ATOM 716 CD2 HIS A 48 -10.117 -8.213 -1.569 1.00 0.00 C ATOM 717 CE1 HIS A 48 -9.970 -9.627 -3.237 1.00 0.00 C ATOM 718 NE2 HIS A 48 -10.808 -9.086 -2.372 1.00 0.00 N ATOM 0 H HIS A 48 -5.472 -6.636 -0.573 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.207 -8.787 0.196 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.965 -6.656 -0.845 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.091 -7.062 -2.309 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -7.924 -9.372 -3.540 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.528 -7.620 -0.766 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.225 -10.352 -3.995 1.00 0.00 H new ATOM 727 N HIS A 49 -4.991 -9.265 -2.147 1.00 0.00 N ATOM 728 CA HIS A 49 -4.375 -10.272 -3.005 1.00 0.00 C ATOM 729 C HIS A 49 -4.075 -11.545 -2.219 1.00 0.00 C ATOM 730 O HIS A 49 -4.466 -12.641 -2.620 1.00 0.00 O ATOM 731 CB HIS A 49 -3.089 -9.727 -3.626 1.00 0.00 C ATOM 732 CG HIS A 49 -2.631 -10.496 -4.826 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.464 -10.821 -5.875 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.416 -11.003 -5.141 1.00 0.00 C ATOM 735 CE1 HIS A 49 -2.783 -11.497 -6.783 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.537 -11.621 -6.362 1.00 0.00 N ATOM 0 H HIS A 49 -4.471 -8.390 -2.083 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.079 -10.515 -3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.245 -8.686 -3.910 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.299 -9.738 -2.875 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.519 -10.934 -4.544 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.178 -11.883 -7.711 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.787 -12.098 -6.862 1.00 0.00 H new ATOM 745 N PHE A 50 -3.377 -11.392 -1.098 1.00 0.00 N ATOM 746 CA PHE A 50 -3.023 -12.529 -0.257 1.00 0.00 C ATOM 747 C PHE A 50 -4.231 -13.015 0.539 1.00 0.00 C ATOM 748 O PHE A 50 -4.570 -14.198 0.512 1.00 0.00 O ATOM 749 CB PHE A 50 -1.888 -12.150 0.697 1.00 0.00 C ATOM 750 CG PHE A 50 -0.716 -11.509 0.011 1.00 0.00 C ATOM 751 CD1 PHE A 50 0.322 -12.283 -0.483 1.00 0.00 C ATOM 752 CD2 PHE A 50 -0.651 -10.134 -0.140 1.00 0.00 C ATOM 753 CE1 PHE A 50 1.402 -11.697 -1.116 1.00 0.00 C ATOM 754 CE2 PHE A 50 0.426 -9.542 -0.772 1.00 0.00 C ATOM 755 CZ PHE A 50 1.454 -10.324 -1.260 1.00 0.00 C ATOM 0 H PHE A 50 -3.046 -10.492 -0.751 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.689 -13.339 -0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.273 -11.467 1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.548 -13.045 1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.287 -13.357 -0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.451 -9.517 0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.204 -12.312 -1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.464 -8.468 -0.884 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.297 -9.863 -1.753 1.00 0.00 H new ATOM 765 N ARG A 51 -4.875 -12.093 1.246 1.00 0.00 N ATOM 766 CA ARG A 51 -6.044 -12.426 2.051 1.00 0.00 C ATOM 767 C ARG A 51 -7.215 -11.507 1.716 1.00 0.00 C ATOM 768 O ARG A 51 -7.413 -10.462 2.335 1.00 0.00 O ATOM 769 CB ARG A 51 -5.711 -12.322 3.541 1.00 0.00 C ATOM 770 CG ARG A 51 -5.079 -13.581 4.113 1.00 0.00 C ATOM 771 CD ARG A 51 -3.590 -13.644 3.811 1.00 0.00 C ATOM 772 NE ARG A 51 -2.845 -12.602 4.512 1.00 0.00 N ATOM 773 CZ ARG A 51 -1.526 -12.625 4.674 1.00 0.00 C ATOM 774 NH1 ARG A 51 -0.812 -13.630 4.187 1.00 0.00 N ATOM 775 NH2 ARG A 51 -0.920 -11.640 5.325 1.00 0.00 N ATOM 0 H ARG A 51 -4.607 -11.109 1.278 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.332 -13.452 1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.033 -11.483 3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.624 -12.100 4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.234 -13.609 5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.573 -14.459 3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.203 -14.622 4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.433 -13.542 2.737 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.365 -11.814 4.898 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.275 -14.389 3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.200 -13.645 4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.466 -10.865 5.701 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.092 -11.658 5.449 1.00 0.00 H new ATOM 789 N PRO A 52 -8.010 -11.905 0.711 1.00 0.00 N ATOM 790 CA PRO A 52 -9.175 -11.132 0.271 1.00 0.00 C ATOM 791 C PRO A 52 -10.302 -11.145 1.298 1.00 0.00 C ATOM 792 O PRO A 52 -11.317 -10.468 1.129 1.00 0.00 O ATOM 793 CB PRO A 52 -9.612 -11.847 -1.010 1.00 0.00 C ATOM 794 CG PRO A 52 -9.114 -13.242 -0.854 1.00 0.00 C ATOM 795 CD PRO A 52 -7.834 -13.140 -0.071 1.00 0.00 C ATOM 0 HA PRO A 52 -8.934 -10.079 0.127 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.696 -11.824 -1.126 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.187 -11.371 -1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.843 -13.860 -0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.941 -13.706 -1.825 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.687 -14.006 0.574 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.965 -13.080 -0.727 1.00 0.00 H new ATOM 803 N ASP A 53 -10.117 -11.917 2.363 1.00 0.00 N ATOM 804 CA ASP A 53 -11.117 -12.017 3.419 1.00 0.00 C ATOM 805 C ASP A 53 -10.710 -11.188 4.633 1.00 0.00 C ATOM 806 O ASP A 53 -11.233 -11.379 5.732 1.00 0.00 O ATOM 807 CB ASP A 53 -11.317 -13.477 3.826 1.00 0.00 C ATOM 808 CG ASP A 53 -12.083 -14.269 2.785 1.00 0.00 C ATOM 809 OD1 ASP A 53 -11.788 -14.109 1.583 1.00 0.00 O ATOM 810 OD2 ASP A 53 -12.979 -15.048 3.173 1.00 0.00 O ATOM 0 H ASP A 53 -9.283 -12.483 2.518 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.058 -11.625 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.345 -13.942 3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.852 -13.517 4.775 1.00 0.00 H new ATOM 815 N LEU A 54 -9.773 -10.269 4.429 1.00 0.00 N ATOM 816 CA LEU A 54 -9.294 -9.411 5.507 1.00 0.00 C ATOM 817 C LEU A 54 -9.874 -8.006 5.384 1.00 0.00 C ATOM 818 O LEU A 54 -10.168 -7.355 6.387 1.00 0.00 O ATOM 819 CB LEU A 54 -7.766 -9.347 5.494 1.00 0.00 C ATOM 820 CG LEU A 54 -7.042 -10.402 6.331 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.539 -10.317 6.115 1.00 0.00 C ATOM 822 CD2 LEU A 54 -7.381 -10.237 7.806 1.00 0.00 C ATOM 0 H LEU A 54 -9.330 -10.099 3.526 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.626 -9.839 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.428 -9.436 4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.461 -8.361 5.845 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.379 -11.387 6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.041 -11.076 6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.313 -10.485 5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.184 -9.329 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.857 -10.996 8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.073 -9.247 8.142 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.456 -10.350 7.947 1.00 0.00 H new ATOM 834 N ILE A 55 -10.039 -7.546 4.148 1.00 0.00 N ATOM 835 CA ILE A 55 -10.588 -6.219 3.895 1.00 0.00 C ATOM 836 C ILE A 55 -11.885 -6.304 3.098 1.00 0.00 C ATOM 837 O ILE A 55 -12.351 -7.394 2.765 1.00 0.00 O ATOM 838 CB ILE A 55 -9.587 -5.333 3.130 1.00 0.00 C ATOM 839 CG1 ILE A 55 -8.152 -5.776 3.424 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.782 -3.871 3.503 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.629 -6.813 2.455 1.00 0.00 C ATOM 0 H ILE A 55 -9.801 -8.072 3.307 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.790 -5.770 4.867 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.770 -5.443 2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.499 -4.904 3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.105 -6.179 4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.068 -3.257 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.796 -3.563 3.248 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.622 -3.744 4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.607 -7.080 2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.259 -7.701 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.643 -6.406 1.444 1.00 0.00 H new ATOM 853 N ASP A 56 -12.463 -5.147 2.795 1.00 0.00 N ATOM 854 CA ASP A 56 -13.706 -5.090 2.034 1.00 0.00 C ATOM 855 C ASP A 56 -13.471 -4.489 0.652 1.00 0.00 C ATOM 856 O ASP A 56 -14.383 -3.927 0.045 1.00 0.00 O ATOM 857 CB ASP A 56 -14.754 -4.270 2.789 1.00 0.00 C ATOM 858 CG ASP A 56 -15.183 -4.931 4.084 1.00 0.00 C ATOM 859 OD1 ASP A 56 -14.427 -4.843 5.074 1.00 0.00 O ATOM 860 OD2 ASP A 56 -16.275 -5.537 4.108 1.00 0.00 O ATOM 0 H ASP A 56 -12.091 -4.236 3.064 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.073 -6.109 1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.350 -3.281 3.006 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.626 -4.126 2.152 1.00 0.00 H new ATOM 865 N TYR A 57 -12.242 -4.608 0.162 1.00 0.00 N ATOM 866 CA TYR A 57 -11.885 -4.073 -1.146 1.00 0.00 C ATOM 867 C TYR A 57 -12.884 -4.521 -2.209 1.00 0.00 C ATOM 868 O TYR A 57 -13.001 -3.905 -3.268 1.00 0.00 O ATOM 869 CB TYR A 57 -10.475 -4.520 -1.536 1.00 0.00 C ATOM 870 CG TYR A 57 -9.974 -3.893 -2.818 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.430 -4.334 -4.054 1.00 0.00 C ATOM 872 CD2 TYR A 57 -9.046 -2.860 -2.792 1.00 0.00 C ATOM 873 CE1 TYR A 57 -9.974 -3.765 -5.227 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.585 -2.284 -3.961 1.00 0.00 C ATOM 875 CZ TYR A 57 -9.052 -2.740 -5.176 1.00 0.00 C ATOM 876 OH TYR A 57 -8.597 -2.170 -6.342 1.00 0.00 O ATOM 0 H TYR A 57 -11.476 -5.071 0.652 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.910 -2.985 -1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.788 -4.272 -0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.463 -5.605 -1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.153 -5.135 -4.098 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.678 -2.501 -1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.338 -4.121 -6.180 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.863 -1.481 -3.923 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.369 -1.231 -6.180 1.00 0.00 H new ATOM 886 N LYS A 58 -13.604 -5.600 -1.917 1.00 0.00 N ATOM 887 CA LYS A 58 -14.596 -6.132 -2.845 1.00 0.00 C ATOM 888 C LYS A 58 -15.683 -5.100 -3.130 1.00 0.00 C ATOM 889 O LYS A 58 -16.235 -5.054 -4.229 1.00 0.00 O ATOM 890 CB LYS A 58 -15.224 -7.406 -2.276 1.00 0.00 C ATOM 891 CG LYS A 58 -14.271 -8.225 -1.422 1.00 0.00 C ATOM 892 CD LYS A 58 -14.704 -9.679 -1.342 1.00 0.00 C ATOM 893 CE LYS A 58 -13.510 -10.609 -1.184 1.00 0.00 C ATOM 894 NZ LYS A 58 -12.978 -11.057 -2.500 1.00 0.00 N ATOM 0 H LYS A 58 -13.519 -6.123 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.091 -6.370 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.094 -7.136 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.583 -8.023 -3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.266 -8.166 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.225 -7.802 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.383 -9.811 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.257 -9.945 -2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.723 -10.098 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.802 -11.479 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.575 -12.011 -2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.749 -11.075 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.238 -10.399 -2.818 1.00 0.00 H new ATOM 908 N SER A 59 -15.984 -4.274 -2.133 1.00 0.00 N ATOM 909 CA SER A 59 -17.007 -3.244 -2.277 1.00 0.00 C ATOM 910 C SER A 59 -16.473 -1.883 -1.840 1.00 0.00 C ATOM 911 O SER A 59 -17.209 -1.060 -1.295 1.00 0.00 O ATOM 912 CB SER A 59 -18.244 -3.607 -1.454 1.00 0.00 C ATOM 913 OG SER A 59 -19.410 -3.013 -1.998 1.00 0.00 O ATOM 0 H SER A 59 -15.535 -4.298 -1.218 1.00 0.00 H new ATOM 0 HA SER A 59 -17.283 -3.185 -3.330 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.362 -4.690 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.110 -3.276 -0.424 1.00 0.00 H new ATOM 0 HG SER A 59 -20.187 -3.261 -1.455 1.00 0.00 H new ATOM 919 N LEU A 60 -15.187 -1.654 -2.083 1.00 0.00 N ATOM 920 CA LEU A 60 -14.552 -0.393 -1.715 1.00 0.00 C ATOM 921 C LEU A 60 -14.613 0.604 -2.868 1.00 0.00 C ATOM 922 O LEU A 60 -15.222 0.335 -3.902 1.00 0.00 O ATOM 923 CB LEU A 60 -13.097 -0.631 -1.309 1.00 0.00 C ATOM 924 CG LEU A 60 -12.869 -1.085 0.134 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.402 -0.948 0.511 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.744 -0.286 1.089 1.00 0.00 C ATOM 0 H LEU A 60 -14.564 -2.325 -2.533 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.095 0.025 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.672 -1.381 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.540 0.292 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.146 -2.136 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.259 -1.275 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.796 -1.564 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.098 0.094 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.569 -0.622 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.498 0.773 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.793 -0.435 0.833 1.00 0.00 H new ATOM 938 N ASN A 61 -13.975 1.755 -2.683 1.00 0.00 N ATOM 939 CA ASN A 61 -13.955 2.792 -3.708 1.00 0.00 C ATOM 940 C ASN A 61 -13.024 3.933 -3.310 1.00 0.00 C ATOM 941 O ASN A 61 -12.692 4.116 -2.139 1.00 0.00 O ATOM 942 CB ASN A 61 -15.367 3.330 -3.946 1.00 0.00 C ATOM 943 CG ASN A 61 -16.149 2.486 -4.934 1.00 0.00 C ATOM 944 OD1 ASN A 61 -17.293 2.110 -4.677 1.00 0.00 O ATOM 945 ND2 ASN A 61 -15.533 2.183 -6.071 1.00 0.00 N ATOM 0 H ASN A 61 -13.465 1.993 -1.832 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.582 2.348 -4.631 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.904 3.365 -2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.305 4.353 -4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.009 1.617 -6.774 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.584 2.516 -6.242 1.00 0.00 H new ATOM 952 N PRO A 62 -12.592 4.719 -4.308 1.00 0.00 N ATOM 953 CA PRO A 62 -11.694 5.857 -4.086 1.00 0.00 C ATOM 954 C PRO A 62 -12.380 7.002 -3.349 1.00 0.00 C ATOM 955 O PRO A 62 -11.785 8.057 -3.133 1.00 0.00 O ATOM 956 CB PRO A 62 -11.312 6.288 -5.504 1.00 0.00 C ATOM 957 CG PRO A 62 -12.442 5.827 -6.358 1.00 0.00 C ATOM 958 CD PRO A 62 -12.948 4.559 -5.727 1.00 0.00 C ATOM 0 HA PRO A 62 -10.842 5.588 -3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.183 7.368 -5.568 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.370 5.835 -5.815 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.228 6.580 -6.405 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.110 5.648 -7.381 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.024 4.445 -5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.477 3.678 -6.163 1.00 0.00 H new ATOM 966 N GLN A 63 -13.634 6.785 -2.964 1.00 0.00 N ATOM 967 CA GLN A 63 -14.400 7.800 -2.251 1.00 0.00 C ATOM 968 C GLN A 63 -14.035 7.817 -0.770 1.00 0.00 C ATOM 969 O GLN A 63 -14.467 8.695 -0.024 1.00 0.00 O ATOM 970 CB GLN A 63 -15.900 7.547 -2.416 1.00 0.00 C ATOM 971 CG GLN A 63 -16.320 6.130 -2.062 1.00 0.00 C ATOM 972 CD GLN A 63 -15.879 5.720 -0.671 1.00 0.00 C ATOM 973 OE1 GLN A 63 -16.057 6.464 0.294 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.299 4.530 -0.561 1.00 0.00 N ATOM 0 H GLN A 63 -14.140 5.916 -3.134 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.154 8.772 -2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.450 8.248 -1.787 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.184 7.754 -3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.405 6.048 -2.134 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.899 5.438 -2.791 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.172 3.946 -1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -14.981 4.200 0.350 1.00 0.00 H new ATOM 983 N ASP A 64 -13.237 6.840 -0.352 1.00 0.00 N ATOM 984 CA ASP A 64 -12.813 6.743 1.040 1.00 0.00 C ATOM 985 C ASP A 64 -11.299 6.881 1.158 1.00 0.00 C ATOM 986 O ASP A 64 -10.549 6.024 0.689 1.00 0.00 O ATOM 987 CB ASP A 64 -13.265 5.411 1.641 1.00 0.00 C ATOM 988 CG ASP A 64 -14.675 5.473 2.194 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.071 6.549 2.689 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.382 4.446 2.131 1.00 0.00 O ATOM 0 H ASP A 64 -12.871 6.105 -0.957 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.278 7.559 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.211 4.635 0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.578 5.123 2.437 1.00 0.00 H new ATOM 995 N ILE A 65 -10.856 7.966 1.785 1.00 0.00 N ATOM 996 CA ILE A 65 -9.431 8.216 1.964 1.00 0.00 C ATOM 997 C ILE A 65 -8.960 7.754 3.339 1.00 0.00 C ATOM 998 O ILE A 65 -7.949 7.062 3.462 1.00 0.00 O ATOM 999 CB ILE A 65 -9.096 9.709 1.794 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.556 10.204 0.421 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.603 9.941 1.973 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.381 11.694 0.226 1.00 0.00 C ATOM 0 H ILE A 65 -11.463 8.686 2.177 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.911 7.645 1.194 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.626 10.274 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -8.997 9.677 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.607 9.949 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.382 11.001 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.302 9.621 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.054 9.367 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.728 11.974 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -9.962 12.230 0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.327 11.953 0.329 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.701 8.140 4.372 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.363 7.764 5.740 1.00 0.00 C ATOM 1016 C LYS A 66 -9.584 6.272 5.964 1.00 0.00 C ATOM 1017 O LYS A 66 -8.670 5.554 6.368 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.201 8.570 6.734 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.596 8.636 8.126 1.00 0.00 C ATOM 1020 CD LYS A 66 -10.485 9.412 9.084 1.00 0.00 C ATOM 1021 CE LYS A 66 -10.446 10.904 8.796 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.367 11.665 9.684 1.00 0.00 N ATOM 0 H LYS A 66 -10.540 8.714 4.288 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.308 7.985 5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.326 9.583 6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.196 8.129 6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.444 7.626 8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.615 9.108 8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.510 9.052 9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.163 9.230 10.109 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.429 11.273 8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.717 11.080 7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.311 12.678 9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.342 11.331 9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.093 11.518 10.676 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.803 5.813 5.700 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.143 4.405 5.873 1.00 0.00 C ATOM 1038 C GLU A 67 -10.174 3.513 5.103 1.00 0.00 C ATOM 1039 O GLU A 67 -9.380 2.785 5.696 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.577 4.143 5.406 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.094 2.763 5.776 1.00 0.00 C ATOM 1042 CD GLU A 67 -13.690 2.717 7.170 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -13.062 3.263 8.101 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -14.783 2.135 7.329 1.00 0.00 O ATOM 0 H GLU A 67 -11.571 6.395 5.366 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.065 4.166 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.235 4.897 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.625 4.262 4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.849 2.456 5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.278 2.044 5.710 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.248 3.575 3.777 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.379 2.772 2.925 1.00 0.00 C ATOM 1053 C ASN A 68 -8.002 2.601 3.559 1.00 0.00 C ATOM 1054 O ASN A 68 -7.424 1.516 3.529 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.240 3.421 1.546 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.476 3.227 0.689 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.421 2.547 1.088 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.473 3.824 -0.497 1.00 0.00 N ATOM 0 H ASN A 68 -10.901 4.173 3.270 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.833 1.787 2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.049 4.487 1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.376 2.998 1.034 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.276 3.728 -1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.667 4.378 -0.787 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.483 3.681 4.134 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.174 3.651 4.776 1.00 0.00 C ATOM 1067 C ASN A 69 -6.234 2.892 6.098 1.00 0.00 C ATOM 1068 O ASN A 69 -5.455 1.968 6.333 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.667 5.075 5.015 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.863 5.606 3.845 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.658 5.834 3.958 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.527 5.806 2.713 1.00 0.00 N ATOM 0 H ASN A 69 -7.949 4.588 4.168 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.483 3.133 4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.516 5.734 5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.050 5.092 5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.039 6.162 1.891 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.525 5.603 2.665 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.165 3.287 6.960 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.330 2.645 8.258 1.00 0.00 C ATOM 1081 C LYS A 70 -7.465 1.133 8.103 1.00 0.00 C ATOM 1082 O LYS A 70 -6.797 0.366 8.797 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.560 3.206 8.976 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.820 2.565 10.328 1.00 0.00 C ATOM 1085 CD LYS A 70 -7.775 2.978 11.351 1.00 0.00 C ATOM 1086 CE LYS A 70 -7.785 2.056 12.561 1.00 0.00 C ATOM 1087 NZ LYS A 70 -6.503 2.119 13.316 1.00 0.00 N ATOM 0 H LYS A 70 -7.818 4.050 6.782 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.442 2.855 8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.433 4.280 9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.436 3.066 8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.810 2.850 10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.819 1.480 10.223 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.787 2.964 10.890 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.963 4.003 11.671 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.609 2.330 13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.965 1.031 12.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.549 1.477 14.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.720 1.833 12.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.343 3.091 13.649 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.331 0.711 7.188 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.552 -0.709 6.940 1.00 0.00 C ATOM 1103 C LYS A 71 -7.227 -1.437 6.734 1.00 0.00 C ATOM 1104 O LYS A 71 -7.005 -2.510 7.295 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.447 -0.900 5.714 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.751 -0.124 5.786 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.565 -0.283 4.513 1.00 0.00 C ATOM 1108 CE LYS A 71 -12.507 -1.474 4.598 1.00 0.00 C ATOM 1109 NZ LYS A 71 -13.480 -1.333 5.716 1.00 0.00 N ATOM 0 H LYS A 71 -8.892 1.333 6.605 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.048 -1.133 7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.899 -0.592 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.671 -1.961 5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.335 -0.471 6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.538 0.932 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.140 0.625 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.893 -0.409 3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.047 -1.577 3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.927 -2.387 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.364 -1.822 5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.080 -1.753 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.676 -0.325 5.880 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.351 -0.847 5.928 1.00 0.00 N ATOM 1124 CA ALA A 72 -5.048 -1.438 5.652 1.00 0.00 C ATOM 1125 C ALA A 72 -4.229 -1.583 6.930 1.00 0.00 C ATOM 1126 O ALA A 72 -3.957 -2.696 7.381 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.293 -0.599 4.631 1.00 0.00 C ATOM 0 H ALA A 72 -6.520 0.040 5.454 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.209 -2.434 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.321 -1.052 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.865 -0.551 3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.151 0.409 5.022 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.838 -0.453 7.508 1.00 0.00 N ATOM 1134 CA TYR A 73 -3.047 -0.454 8.732 1.00 0.00 C ATOM 1135 C TYR A 73 -3.583 -1.480 9.726 1.00 0.00 C ATOM 1136 O TYR A 73 -2.825 -2.067 10.499 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.050 0.937 9.368 1.00 0.00 C ATOM 1138 CG TYR A 73 -2.784 2.053 8.383 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.778 1.942 7.431 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.539 3.220 8.404 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.531 2.959 6.530 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.300 4.241 7.506 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.295 4.106 6.571 1.00 0.00 C ATOM 1144 OH TYR A 73 -2.053 5.123 5.675 1.00 0.00 O ATOM 0 H TYR A 73 -4.056 0.476 7.148 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.024 -0.725 8.472 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.015 1.107 9.845 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.296 0.970 10.154 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.179 1.044 7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.326 3.330 9.135 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.744 2.856 5.798 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.897 5.141 7.535 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.892 5.382 5.240 1.00 0.00 H new ATOM 1154 N ASP A 74 -4.894 -1.691 9.699 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.533 -2.648 10.595 1.00 0.00 C ATOM 1156 C ASP A 74 -5.125 -4.076 10.247 1.00 0.00 C ATOM 1157 O ASP A 74 -4.844 -4.885 11.130 1.00 0.00 O ATOM 1158 CB ASP A 74 -7.055 -2.508 10.524 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.578 -1.412 11.432 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -6.965 -1.178 12.494 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -8.601 -0.789 11.080 1.00 0.00 O ATOM 0 H ASP A 74 -5.535 -1.212 9.066 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.203 -2.433 11.611 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.350 -2.296 9.496 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.518 -3.456 10.799 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.095 -4.379 8.952 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.721 -5.709 8.511 1.00 0.00 C ATOM 1168 C GLY A 75 -3.220 -5.918 8.506 1.00 0.00 C ATOM 1169 O GLY A 75 -2.715 -6.857 9.122 1.00 0.00 O ATOM 0 H GLY A 75 -5.323 -3.727 8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.185 -6.449 9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.112 -5.879 7.508 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.504 -5.043 7.808 1.00 0.00 N ATOM 1174 CA PHE A 76 -1.052 -5.137 7.724 1.00 0.00 C ATOM 1175 C PHE A 76 -0.431 -5.233 9.114 1.00 0.00 C ATOM 1176 O PHE A 76 0.340 -6.149 9.400 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.483 -3.926 6.981 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.780 -3.932 5.509 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.419 -5.011 4.720 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.420 -2.856 4.914 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.691 -5.020 3.365 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.696 -2.859 3.560 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.330 -3.942 2.784 1.00 0.00 C ATOM 0 H PHE A 76 -2.906 -4.260 7.292 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.804 -6.043 7.172 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.889 -3.016 7.422 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.597 -3.896 7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.081 -5.856 5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.706 -2.006 5.515 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.404 -5.868 2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.197 -2.016 3.109 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.543 -3.946 1.725 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.773 -4.280 9.975 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.251 -4.257 11.336 1.00 0.00 C ATOM 1195 C ALA A 77 -0.758 -5.451 12.139 1.00 0.00 C ATOM 1196 O ALA A 77 -0.315 -5.689 13.262 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.632 -2.955 12.025 1.00 0.00 C ATOM 0 H ALA A 77 -1.409 -3.514 9.754 1.00 0.00 H new ATOM 0 HA ALA A 77 0.836 -4.323 11.283 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.236 -2.951 13.040 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.216 -2.114 11.470 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.718 -2.865 12.059 1.00 0.00 H new ATOM 1203 N SER A 78 -1.690 -6.197 11.555 1.00 0.00 N ATOM 1204 CA SER A 78 -2.260 -7.364 12.218 1.00 0.00 C ATOM 1205 C SER A 78 -1.256 -8.512 12.257 1.00 0.00 C ATOM 1206 O SER A 78 -1.202 -9.272 13.224 1.00 0.00 O ATOM 1207 CB SER A 78 -3.536 -7.811 11.502 1.00 0.00 C ATOM 1208 OG SER A 78 -4.387 -8.531 12.377 1.00 0.00 O ATOM 0 H SER A 78 -2.066 -6.014 10.625 1.00 0.00 H new ATOM 0 HA SER A 78 -2.506 -7.085 13.243 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.063 -6.940 11.113 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.277 -8.435 10.647 1.00 0.00 H new ATOM 0 HG SER A 78 -5.196 -8.804 11.896 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.463 -8.632 11.197 1.00 0.00 N ATOM 1215 CA ILE A 79 0.539 -9.686 11.110 1.00 0.00 C ATOM 1216 C ILE A 79 1.828 -9.279 11.815 1.00 0.00 C ATOM 1217 O ILE A 79 2.613 -10.128 12.237 1.00 0.00 O ATOM 1218 CB ILE A 79 0.859 -10.039 9.645 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.056 -8.764 8.822 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.252 -10.893 9.051 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.665 -9.012 7.460 1.00 0.00 C ATOM 0 H ILE A 79 -0.495 -8.012 10.387 1.00 0.00 H new ATOM 0 HA ILE A 79 0.118 -10.562 11.604 1.00 0.00 H new ATOM 0 HB ILE A 79 1.785 -10.613 9.619 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.092 -8.270 8.696 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.695 -8.078 9.377 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.011 -11.134 8.016 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.349 -11.814 9.625 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.192 -10.343 9.086 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.775 -8.064 6.933 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.643 -9.478 7.578 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.016 -9.673 6.886 1.00 0.00 H new ATOM 1233 N GLY A 80 2.040 -7.972 11.942 1.00 0.00 N ATOM 1234 CA GLY A 80 3.234 -7.474 12.599 1.00 0.00 C ATOM 1235 C GLY A 80 3.919 -6.379 11.806 1.00 0.00 C ATOM 1236 O GLY A 80 5.133 -6.200 11.902 1.00 0.00 O ATOM 0 H GLY A 80 1.406 -7.250 11.601 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.970 -7.093 13.585 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.931 -8.298 12.752 1.00 0.00 H new ATOM 1240 N ILE A 81 3.139 -5.646 11.018 1.00 0.00 N ATOM 1241 CA ILE A 81 3.678 -4.563 10.205 1.00 0.00 C ATOM 1242 C ILE A 81 3.446 -3.209 10.867 1.00 0.00 C ATOM 1243 O ILE A 81 2.379 -2.613 10.726 1.00 0.00 O ATOM 1244 CB ILE A 81 3.050 -4.549 8.799 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.398 -5.836 8.048 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.522 -3.330 8.020 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.617 -6.016 6.764 1.00 0.00 C ATOM 0 H ILE A 81 2.132 -5.783 10.926 1.00 0.00 H new ATOM 0 HA ILE A 81 4.750 -4.740 10.114 1.00 0.00 H new ATOM 0 HB ILE A 81 1.966 -4.493 8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.464 -5.837 7.819 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.212 -6.689 8.700 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.070 -3.334 7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.228 -2.424 8.549 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.607 -3.358 7.924 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.915 -6.949 6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.551 -6.048 6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.822 -5.182 6.093 1.00 0.00 H new ATOM 1259 N SER A 82 4.453 -2.729 11.589 1.00 0.00 N ATOM 1260 CA SER A 82 4.359 -1.446 12.275 1.00 0.00 C ATOM 1261 C SER A 82 3.733 -0.390 11.369 1.00 0.00 C ATOM 1262 O SER A 82 4.035 -0.321 10.178 1.00 0.00 O ATOM 1263 CB SER A 82 5.744 -0.986 12.734 1.00 0.00 C ATOM 1264 OG SER A 82 6.172 -1.712 13.873 1.00 0.00 O ATOM 0 H SER A 82 5.344 -3.210 11.714 1.00 0.00 H new ATOM 0 HA SER A 82 3.720 -1.575 13.148 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.461 -1.118 11.924 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.718 0.079 12.966 1.00 0.00 H new ATOM 0 HG SER A 82 7.060 -1.400 14.145 1.00 0.00 H new ATOM 1270 N ARG A 83 2.859 0.430 11.943 1.00 0.00 N ATOM 1271 CA ARG A 83 2.190 1.482 11.188 1.00 0.00 C ATOM 1272 C ARG A 83 3.019 2.763 11.186 1.00 0.00 C ATOM 1273 O ARG A 83 3.439 3.245 12.239 1.00 0.00 O ATOM 1274 CB ARG A 83 0.805 1.760 11.777 1.00 0.00 C ATOM 1275 CG ARG A 83 0.751 1.634 13.291 1.00 0.00 C ATOM 1276 CD ARG A 83 0.457 0.205 13.721 1.00 0.00 C ATOM 1277 NE ARG A 83 -0.977 -0.065 13.778 1.00 0.00 N ATOM 1278 CZ ARG A 83 -1.790 0.468 14.684 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -1.312 1.295 15.603 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -3.084 0.173 14.671 1.00 0.00 N ATOM 0 H ARG A 83 2.598 0.386 12.928 1.00 0.00 H new ATOM 0 HA ARG A 83 2.079 1.140 10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.494 2.765 11.493 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.087 1.068 11.337 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.701 1.955 13.718 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.017 2.299 13.685 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.929 -0.488 13.024 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.899 0.023 14.700 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.376 -0.697 13.084 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.318 1.524 15.616 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.938 1.703 16.297 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.455 -0.463 13.965 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.707 0.582 15.367 1.00 0.00 H new ATOM 1294 N LEU A 84 3.254 3.308 9.998 1.00 0.00 N ATOM 1295 CA LEU A 84 4.034 4.533 9.858 1.00 0.00 C ATOM 1296 C LEU A 84 3.162 5.680 9.358 1.00 0.00 C ATOM 1297 O LEU A 84 3.286 6.815 9.820 1.00 0.00 O ATOM 1298 CB LEU A 84 5.203 4.309 8.897 1.00 0.00 C ATOM 1299 CG LEU A 84 6.103 3.111 9.202 1.00 0.00 C ATOM 1300 CD1 LEU A 84 7.112 2.904 8.083 1.00 0.00 C ATOM 1301 CD2 LEU A 84 6.812 3.303 10.534 1.00 0.00 C ATOM 0 H LEU A 84 2.916 2.921 9.117 1.00 0.00 H new ATOM 0 HA LEU A 84 4.425 4.800 10.840 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.802 4.190 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.819 5.208 8.890 1.00 0.00 H new ATOM 0 HG LEU A 84 5.480 2.220 9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.744 2.047 8.317 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.585 2.721 7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.731 3.795 7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.448 2.441 10.735 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.424 4.204 10.494 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.073 3.402 11.329 1.00 0.00 H new ATOM 1313 N LEU A 85 2.279 5.377 8.414 1.00 0.00 N ATOM 1314 CA LEU A 85 1.383 6.382 7.852 1.00 0.00 C ATOM 1315 C LEU A 85 0.022 6.345 8.540 1.00 0.00 C ATOM 1316 O LEU A 85 -0.413 5.298 9.018 1.00 0.00 O ATOM 1317 CB LEU A 85 1.213 6.159 6.348 1.00 0.00 C ATOM 1318 CG LEU A 85 0.712 7.359 5.544 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.694 8.516 5.643 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.487 6.971 4.090 1.00 0.00 C ATOM 0 H LEU A 85 2.164 4.443 8.021 1.00 0.00 H new ATOM 0 HA LEU A 85 1.828 7.363 8.020 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.173 5.847 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.518 5.332 6.200 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.241 7.681 5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.320 9.361 5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.804 8.811 6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.662 8.206 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.131 7.838 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.425 6.622 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.256 6.175 4.037 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.645 7.494 8.585 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.957 7.591 9.213 1.00 0.00 C ATOM 1334 C GLU A 86 -3.044 7.831 8.169 1.00 0.00 C ATOM 1335 O GLU A 86 -2.831 8.501 7.158 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.969 8.718 10.247 1.00 0.00 C ATOM 1337 CG GLU A 86 -0.895 8.579 11.313 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.052 7.317 12.139 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -1.935 7.294 13.022 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -0.293 6.354 11.903 1.00 0.00 O ATOM 0 H GLU A 86 -0.298 8.370 8.194 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.163 6.645 9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.839 9.671 9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.946 8.746 10.729 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.086 8.578 10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.928 9.447 11.972 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.237 7.272 8.418 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.381 7.411 7.512 1.00 0.00 C ATOM 1349 C PRO A 87 -5.940 8.830 7.498 1.00 0.00 C ATOM 1350 O PRO A 87 -6.256 9.372 6.439 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.411 6.437 8.089 1.00 0.00 C ATOM 1352 CG PRO A 87 -6.057 6.322 9.532 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.561 6.461 9.603 1.00 0.00 C ATOM 0 HA PRO A 87 -5.109 7.202 6.477 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.426 6.812 7.959 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.362 5.469 7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.549 7.098 10.118 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.380 5.363 9.938 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.246 6.952 10.524 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.065 5.491 9.574 1.00 0.00 H new ATOM 1361 N SER A 88 -6.058 9.426 8.680 1.00 0.00 N ATOM 1362 CA SER A 88 -6.582 10.782 8.803 1.00 0.00 C ATOM 1363 C SER A 88 -5.693 11.777 8.063 1.00 0.00 C ATOM 1364 O SER A 88 -6.167 12.550 7.231 1.00 0.00 O ATOM 1365 CB SER A 88 -6.693 11.176 10.277 1.00 0.00 C ATOM 1366 OG SER A 88 -5.486 10.906 10.969 1.00 0.00 O ATOM 0 H SER A 88 -5.798 8.992 9.566 1.00 0.00 H new ATOM 0 HA SER A 88 -7.574 10.805 8.353 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.932 12.237 10.356 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.513 10.629 10.742 1.00 0.00 H new ATOM 0 HG SER A 88 -5.582 11.168 11.908 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.402 11.751 8.373 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.445 12.650 7.738 1.00 0.00 C ATOM 1374 C ASP A 89 -3.780 12.846 6.263 1.00 0.00 C ATOM 1375 O ASP A 89 -3.956 13.973 5.801 1.00 0.00 O ATOM 1376 CB ASP A 89 -2.025 12.101 7.883 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.385 12.489 9.202 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -1.682 13.594 9.703 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -0.589 11.688 9.733 1.00 0.00 O ATOM 0 H ASP A 89 -3.994 11.117 9.060 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.505 13.617 8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.049 11.014 7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.410 12.470 7.062 1.00 0.00 H new ATOM 1384 N MET A 90 -3.866 11.741 5.529 1.00 0.00 N ATOM 1385 CA MET A 90 -4.180 11.793 4.106 1.00 0.00 C ATOM 1386 C MET A 90 -5.296 12.796 3.831 1.00 0.00 C ATOM 1387 O MET A 90 -5.249 13.538 2.850 1.00 0.00 O ATOM 1388 CB MET A 90 -4.588 10.407 3.602 1.00 0.00 C ATOM 1389 CG MET A 90 -3.530 9.341 3.831 1.00 0.00 C ATOM 1390 SD MET A 90 -2.197 9.413 2.618 1.00 0.00 S ATOM 1391 CE MET A 90 -2.143 7.708 2.072 1.00 0.00 C ATOM 0 H MET A 90 -3.723 10.800 5.896 1.00 0.00 H new ATOM 0 HA MET A 90 -3.286 12.117 3.574 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.510 10.105 4.100 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.807 10.467 2.536 1.00 0.00 H new ATOM 0 HG2 MET A 90 -3.113 9.458 4.831 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.997 8.357 3.794 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.467 7.620 1.221 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.787 7.076 2.886 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.142 7.389 1.776 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.299 12.812 4.703 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.426 13.725 4.555 1.00 0.00 C ATOM 1403 C VAL A 91 -7.068 15.124 5.044 1.00 0.00 C ATOM 1404 O VAL A 91 -7.420 16.123 4.414 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.660 13.223 5.328 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.901 13.999 4.914 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.856 11.731 5.107 1.00 0.00 C ATOM 0 H VAL A 91 -6.354 12.203 5.519 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.664 13.765 3.492 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.494 13.391 6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.763 13.631 5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.756 15.058 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.074 13.865 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.732 11.393 5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.001 11.537 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.976 11.192 5.458 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.366 15.190 6.169 1.00 0.00 N ATOM 1418 CA LEU A 92 -5.959 16.468 6.744 1.00 0.00 C ATOM 1419 C LEU A 92 -5.225 17.319 5.713 1.00 0.00 C ATOM 1420 O LEU A 92 -5.239 18.549 5.783 1.00 0.00 O ATOM 1421 CB LEU A 92 -5.065 16.239 7.963 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.639 15.338 9.057 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.564 14.979 10.071 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -6.817 16.014 9.742 1.00 0.00 C ATOM 0 H LEU A 92 -6.066 14.374 6.702 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.857 17.001 7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.124 15.808 7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.831 17.208 8.404 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.994 14.418 8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.991 14.337 10.842 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.752 14.453 9.569 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.178 15.889 10.529 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.212 15.358 10.517 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.488 16.950 10.192 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.596 16.219 9.008 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.586 16.657 4.754 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.847 17.353 3.706 1.00 0.00 C ATOM 1438 C LEU A 93 -4.287 16.881 2.324 1.00 0.00 C ATOM 1439 O LEU A 93 -5.221 16.089 2.196 1.00 0.00 O ATOM 1440 CB LEU A 93 -2.344 17.129 3.879 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.929 15.772 4.450 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -2.205 14.664 3.446 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.459 15.785 4.842 1.00 0.00 C ATOM 0 H LEU A 93 -4.565 15.640 4.681 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.061 18.418 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.864 17.254 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.953 17.910 4.531 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.521 15.579 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.903 13.706 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.270 14.640 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.640 14.851 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.182 14.811 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.150 16.000 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.291 16.553 5.597 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.608 17.370 1.293 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.926 16.995 -0.079 1.00 0.00 C ATOM 1457 C ALA A 94 -3.021 15.867 -0.564 1.00 0.00 C ATOM 1458 O ALA A 94 -3.481 14.751 -0.808 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.806 18.202 -0.998 1.00 0.00 C ATOM 0 H ALA A 94 -2.833 18.028 1.381 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.955 16.636 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.046 17.907 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.499 18.978 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.787 18.587 -0.962 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.734 16.166 -0.702 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.765 15.177 -1.157 1.00 0.00 C ATOM 1467 C ILE A 95 0.130 14.716 -0.012 1.00 0.00 C ATOM 1468 O ILE A 95 0.731 15.519 0.701 1.00 0.00 O ATOM 1469 CB ILE A 95 0.117 15.732 -2.291 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.753 16.349 -3.388 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.000 14.633 -2.863 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.862 15.437 -3.864 1.00 0.00 C ATOM 0 H ILE A 95 -1.338 17.085 -0.505 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.335 14.328 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 95 0.760 16.511 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.190 17.276 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.121 16.613 -4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.617 15.042 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.642 14.236 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.375 13.833 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.438 15.939 -4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.431 14.520 -4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.517 15.193 -3.027 1.00 0.00 H new ATOM 1484 N PRO A 96 0.224 13.390 0.169 1.00 0.00 N ATOM 1485 CA PRO A 96 1.045 12.791 1.225 1.00 0.00 C ATOM 1486 C PRO A 96 2.538 12.960 0.964 1.00 0.00 C ATOM 1487 O PRO A 96 2.939 13.568 -0.028 1.00 0.00 O ATOM 1488 CB PRO A 96 0.658 11.311 1.180 1.00 0.00 C ATOM 1489 CG PRO A 96 0.184 11.086 -0.215 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.465 12.373 -0.644 1.00 0.00 C ATOM 0 HA PRO A 96 0.871 13.261 2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.509 10.672 1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.123 11.084 1.905 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.014 10.829 -0.873 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.524 10.258 -0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.332 12.554 -1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.538 12.365 -0.453 1.00 0.00 H new ATOM 1498 N ASP A 97 3.355 12.418 1.860 1.00 0.00 N ATOM 1499 CA ASP A 97 4.805 12.507 1.726 1.00 0.00 C ATOM 1500 C ASP A 97 5.358 11.292 0.988 1.00 0.00 C ATOM 1501 O ASP A 97 5.405 10.189 1.533 1.00 0.00 O ATOM 1502 CB ASP A 97 5.460 12.625 3.103 1.00 0.00 C ATOM 1503 CG ASP A 97 5.103 13.920 3.805 1.00 0.00 C ATOM 1504 OD1 ASP A 97 4.769 14.901 3.108 1.00 0.00 O ATOM 1505 OD2 ASP A 97 5.156 13.953 5.052 1.00 0.00 O ATOM 0 H ASP A 97 3.038 11.912 2.687 1.00 0.00 H new ATOM 0 HA ASP A 97 5.037 13.399 1.145 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.152 11.783 3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.543 12.561 2.994 1.00 0.00 H new ATOM 1510 N LYS A 98 5.774 11.501 -0.257 1.00 0.00 N ATOM 1511 CA LYS A 98 6.324 10.424 -1.071 1.00 0.00 C ATOM 1512 C LYS A 98 7.377 9.638 -0.295 1.00 0.00 C ATOM 1513 O LYS A 98 7.399 8.407 -0.331 1.00 0.00 O ATOM 1514 CB LYS A 98 6.938 10.989 -2.354 1.00 0.00 C ATOM 1515 CG LYS A 98 7.500 9.924 -3.279 1.00 0.00 C ATOM 1516 CD LYS A 98 8.526 10.504 -4.239 1.00 0.00 C ATOM 1517 CE LYS A 98 9.564 9.467 -4.638 1.00 0.00 C ATOM 1518 NZ LYS A 98 10.766 10.094 -5.255 1.00 0.00 N ATOM 0 H LYS A 98 5.740 12.407 -0.724 1.00 0.00 H new ATOM 0 HA LYS A 98 5.510 9.748 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.179 11.560 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.734 11.686 -2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.961 9.133 -2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.688 9.467 -3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.022 10.877 -5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.021 11.356 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.863 8.896 -3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.121 8.762 -5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.450 9.354 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.485 10.618 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.204 10.748 -4.575 1.00 0.00 H new ATOM 1532 N LEU A 99 8.246 10.356 0.407 1.00 0.00 N ATOM 1533 CA LEU A 99 9.301 9.726 1.194 1.00 0.00 C ATOM 1534 C LEU A 99 8.711 8.809 2.260 1.00 0.00 C ATOM 1535 O LEU A 99 9.125 7.659 2.404 1.00 0.00 O ATOM 1536 CB LEU A 99 10.180 10.792 1.851 1.00 0.00 C ATOM 1537 CG LEU A 99 10.797 11.827 0.909 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.635 12.827 1.691 1.00 0.00 C ATOM 1539 CD2 LEU A 99 11.638 11.142 -0.158 1.00 0.00 C ATOM 0 H LEU A 99 8.241 11.375 0.448 1.00 0.00 H new ATOM 0 HA LEU A 99 9.912 9.124 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.583 11.318 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.987 10.290 2.386 1.00 0.00 H new ATOM 0 HG LEU A 99 9.990 12.368 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.066 13.556 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.005 13.341 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.435 12.302 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.069 11.893 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.438 10.575 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.010 10.466 -0.738 1.00 0.00 H new ATOM 1551 N THR A 100 7.739 9.326 3.006 1.00 0.00 N ATOM 1552 CA THR A 100 7.090 8.554 4.058 1.00 0.00 C ATOM 1553 C THR A 100 6.377 7.334 3.486 1.00 0.00 C ATOM 1554 O THR A 100 6.719 6.196 3.805 1.00 0.00 O ATOM 1555 CB THR A 100 6.074 9.410 4.838 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.696 10.618 5.290 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.520 8.642 6.028 1.00 0.00 C ATOM 0 H THR A 100 7.384 10.276 2.901 1.00 0.00 H new ATOM 0 HA THR A 100 7.876 8.226 4.739 1.00 0.00 H new ATOM 0 HB THR A 100 5.249 9.655 4.169 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.043 11.157 5.783 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.805 9.267 6.563 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.021 7.738 5.678 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.336 8.370 6.697 1.00 0.00 H new ATOM 1565 N VAL A 101 5.384 7.580 2.637 1.00 0.00 N ATOM 1566 CA VAL A 101 4.623 6.501 2.018 1.00 0.00 C ATOM 1567 C VAL A 101 5.542 5.373 1.561 1.00 0.00 C ATOM 1568 O VAL A 101 5.441 4.244 2.041 1.00 0.00 O ATOM 1569 CB VAL A 101 3.811 7.007 0.811 1.00 0.00 C ATOM 1570 CG1 VAL A 101 3.097 5.852 0.126 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.819 8.075 1.247 1.00 0.00 C ATOM 0 H VAL A 101 5.088 8.517 2.362 1.00 0.00 H new ATOM 0 HA VAL A 101 3.936 6.123 2.775 1.00 0.00 H new ATOM 0 HB VAL A 101 4.499 7.454 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.528 6.229 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.831 5.125 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.419 5.373 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.254 8.421 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.134 7.656 1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.358 8.914 1.688 1.00 0.00 H new ATOM 1581 N MET A 102 6.437 5.686 0.630 1.00 0.00 N ATOM 1582 CA MET A 102 7.375 4.699 0.110 1.00 0.00 C ATOM 1583 C MET A 102 7.980 3.874 1.241 1.00 0.00 C ATOM 1584 O MET A 102 8.041 2.646 1.165 1.00 0.00 O ATOM 1585 CB MET A 102 8.486 5.388 -0.685 1.00 0.00 C ATOM 1586 CG MET A 102 8.067 5.791 -2.090 1.00 0.00 C ATOM 1587 SD MET A 102 9.462 6.315 -3.106 1.00 0.00 S ATOM 1588 CE MET A 102 9.554 4.964 -4.278 1.00 0.00 C ATOM 0 H MET A 102 6.532 6.615 0.220 1.00 0.00 H new ATOM 0 HA MET A 102 6.827 4.028 -0.552 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.812 6.276 -0.143 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.345 4.720 -0.748 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.567 4.950 -2.571 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.341 6.602 -2.030 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.565 4.901 -4.681 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.304 4.029 -3.776 1.00 0.00 H new ATOM 0 HE3 MET A 102 8.849 5.139 -5.091 1.00 0.00 H new ATOM 1598 N THR A 103 8.428 4.556 2.291 1.00 0.00 N ATOM 1599 CA THR A 103 9.029 3.887 3.437 1.00 0.00 C ATOM 1600 C THR A 103 8.122 2.784 3.969 1.00 0.00 C ATOM 1601 O THR A 103 8.541 1.635 4.108 1.00 0.00 O ATOM 1602 CB THR A 103 9.329 4.882 4.575 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.052 6.007 4.063 1.00 0.00 O ATOM 1604 CG2 THR A 103 10.135 4.214 5.679 1.00 0.00 C ATOM 0 H THR A 103 8.386 5.572 2.371 1.00 0.00 H new ATOM 0 HA THR A 103 9.965 3.448 3.091 1.00 0.00 H new ATOM 0 HB THR A 103 8.381 5.220 4.993 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.426 6.638 3.651 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.335 4.936 6.471 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.570 3.376 6.086 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.079 3.852 5.272 1.00 0.00 H new ATOM 1612 N TYR A 104 6.876 3.140 4.264 1.00 0.00 N ATOM 1613 CA TYR A 104 5.909 2.179 4.782 1.00 0.00 C ATOM 1614 C TYR A 104 5.705 1.029 3.801 1.00 0.00 C ATOM 1615 O TYR A 104 5.703 -0.140 4.188 1.00 0.00 O ATOM 1616 CB TYR A 104 4.573 2.869 5.061 1.00 0.00 C ATOM 1617 CG TYR A 104 3.530 1.951 5.656 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.826 1.149 6.752 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.248 1.885 5.124 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.876 0.307 7.298 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.292 1.048 5.664 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.610 0.261 6.751 1.00 0.00 C ATOM 1623 OH TYR A 104 0.661 -0.575 7.293 1.00 0.00 O ATOM 0 H TYR A 104 6.512 4.086 4.153 1.00 0.00 H new ATOM 0 HA TYR A 104 6.302 1.772 5.714 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.740 3.704 5.741 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.189 3.287 4.131 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.815 1.185 7.184 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.995 2.500 4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.123 -0.312 8.148 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.301 1.010 5.238 1.00 0.00 H new ATOM 0 HH TYR A 104 0.831 -0.684 8.252 1.00 0.00 H new ATOM 1633 N LEU A 105 5.535 1.369 2.528 1.00 0.00 N ATOM 1634 CA LEU A 105 5.330 0.365 1.489 1.00 0.00 C ATOM 1635 C LEU A 105 6.424 -0.697 1.535 1.00 0.00 C ATOM 1636 O LEU A 105 6.141 -1.888 1.669 1.00 0.00 O ATOM 1637 CB LEU A 105 5.305 1.028 0.111 1.00 0.00 C ATOM 1638 CG LEU A 105 3.941 1.523 -0.371 1.00 0.00 C ATOM 1639 CD1 LEU A 105 4.087 2.323 -1.656 1.00 0.00 C ATOM 1640 CD2 LEU A 105 2.990 0.352 -0.575 1.00 0.00 C ATOM 0 H LEU A 105 5.535 2.331 2.190 1.00 0.00 H new ATOM 0 HA LEU A 105 4.371 -0.120 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.992 1.874 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.690 0.316 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 105 3.522 2.177 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.106 2.667 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.732 3.183 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.527 1.693 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.024 0.723 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.404 -0.327 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.860 -0.180 0.368 1.00 0.00 H new ATOM 1652 N TYR A 106 7.673 -0.258 1.425 1.00 0.00 N ATOM 1653 CA TYR A 106 8.809 -1.171 1.454 1.00 0.00 C ATOM 1654 C TYR A 106 8.616 -2.247 2.518 1.00 0.00 C ATOM 1655 O TYR A 106 8.891 -3.423 2.283 1.00 0.00 O ATOM 1656 CB TYR A 106 10.103 -0.400 1.720 1.00 0.00 C ATOM 1657 CG TYR A 106 10.663 0.284 0.494 1.00 0.00 C ATOM 1658 CD1 TYR A 106 10.827 -0.409 -0.699 1.00 0.00 C ATOM 1659 CD2 TYR A 106 11.028 1.625 0.529 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.340 0.212 -1.821 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.540 2.254 -0.589 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.695 1.544 -1.762 1.00 0.00 C ATOM 1663 OH TYR A 106 12.204 2.167 -2.878 1.00 0.00 O ATOM 0 H TYR A 106 7.924 0.724 1.315 1.00 0.00 H new ATOM 0 HA TYR A 106 8.877 -1.657 0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.918 0.348 2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.851 -1.087 2.116 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.549 -1.451 -0.750 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.909 2.184 1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.463 -0.342 -2.740 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.818 3.297 -0.545 1.00 0.00 H new ATOM 0 HH TYR A 106 12.343 1.505 -3.587 1.00 0.00 H new ATOM 1673 N GLN A 107 8.142 -1.834 3.689 1.00 0.00 N ATOM 1674 CA GLN A 107 7.912 -2.761 4.790 1.00 0.00 C ATOM 1675 C GLN A 107 7.024 -3.920 4.350 1.00 0.00 C ATOM 1676 O GLN A 107 7.429 -5.081 4.405 1.00 0.00 O ATOM 1677 CB GLN A 107 7.272 -2.033 5.973 1.00 0.00 C ATOM 1678 CG GLN A 107 8.091 -0.856 6.479 1.00 0.00 C ATOM 1679 CD GLN A 107 9.290 -1.289 7.299 1.00 0.00 C ATOM 1680 OE1 GLN A 107 9.146 -1.772 8.422 1.00 0.00 O ATOM 1681 NE2 GLN A 107 10.482 -1.117 6.741 1.00 0.00 N ATOM 0 H GLN A 107 7.910 -0.863 3.899 1.00 0.00 H new ATOM 0 HA GLN A 107 8.876 -3.164 5.099 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.284 -1.678 5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.126 -2.741 6.789 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.431 -0.263 5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.456 -0.210 7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.555 -0.713 5.807 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.325 -1.389 7.246 1.00 0.00 H new ATOM 1690 N ILE A 108 5.811 -3.596 3.913 1.00 0.00 N ATOM 1691 CA ILE A 108 4.866 -4.611 3.462 1.00 0.00 C ATOM 1692 C ILE A 108 5.508 -5.545 2.442 1.00 0.00 C ATOM 1693 O ILE A 108 5.524 -6.763 2.625 1.00 0.00 O ATOM 1694 CB ILE A 108 3.611 -3.973 2.839 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.914 -3.067 3.856 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.660 -5.051 2.342 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.470 -1.661 3.895 1.00 0.00 C ATOM 0 H ILE A 108 5.460 -2.640 3.862 1.00 0.00 H new ATOM 0 HA ILE A 108 4.574 -5.184 4.342 1.00 0.00 H new ATOM 0 HB ILE A 108 3.916 -3.364 1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.851 -3.022 3.621 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.003 -3.512 4.847 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.778 -4.584 1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.161 -5.659 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.359 -5.684 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.928 -1.076 4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.527 -1.695 4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.356 -1.198 2.915 1.00 0.00 H new ATOM 1709 N ARG A 109 6.037 -4.967 1.369 1.00 0.00 N ATOM 1710 CA ARG A 109 6.681 -5.749 0.320 1.00 0.00 C ATOM 1711 C ARG A 109 7.773 -6.642 0.900 1.00 0.00 C ATOM 1712 O ARG A 109 8.004 -7.750 0.417 1.00 0.00 O ATOM 1713 CB ARG A 109 7.276 -4.823 -0.743 1.00 0.00 C ATOM 1714 CG ARG A 109 8.237 -5.521 -1.690 1.00 0.00 C ATOM 1715 CD ARG A 109 9.039 -4.521 -2.508 1.00 0.00 C ATOM 1716 NE ARG A 109 9.781 -5.166 -3.588 1.00 0.00 N ATOM 1717 CZ ARG A 109 10.867 -5.906 -3.392 1.00 0.00 C ATOM 1718 NH1 ARG A 109 11.334 -6.094 -2.166 1.00 0.00 N ATOM 1719 NH2 ARG A 109 11.488 -6.461 -4.426 1.00 0.00 N ATOM 0 H ARG A 109 6.033 -3.961 1.203 1.00 0.00 H new ATOM 0 HA ARG A 109 5.924 -6.383 -0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.465 -4.381 -1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.798 -4.004 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.917 -6.154 -1.119 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.679 -6.175 -2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.366 -3.773 -2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.735 -3.994 -1.855 1.00 0.00 H new ATOM 0 HE ARG A 109 9.448 -5.042 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.859 -5.670 -1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.168 -6.663 -2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.131 -6.319 -5.371 1.00 0.00 H new ATOM 0 HH22 ARG A 109 12.322 -7.029 -4.275 1.00 0.00 H new ATOM 1733 N ALA A 110 8.443 -6.151 1.938 1.00 0.00 N ATOM 1734 CA ALA A 110 9.509 -6.906 2.585 1.00 0.00 C ATOM 1735 C ALA A 110 8.950 -8.098 3.354 1.00 0.00 C ATOM 1736 O ALA A 110 9.466 -9.211 3.254 1.00 0.00 O ATOM 1737 CB ALA A 110 10.306 -6.002 3.514 1.00 0.00 C ATOM 0 H ALA A 110 8.266 -5.234 2.348 1.00 0.00 H new ATOM 0 HA ALA A 110 10.173 -7.288 1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.099 -6.578 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.745 -5.187 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.645 -5.593 4.278 1.00 0.00 H new ATOM 1743 N HIS A 111 7.893 -7.856 4.124 1.00 0.00 N ATOM 1744 CA HIS A 111 7.264 -8.911 4.911 1.00 0.00 C ATOM 1745 C HIS A 111 6.994 -10.142 4.052 1.00 0.00 C ATOM 1746 O HIS A 111 7.530 -11.220 4.308 1.00 0.00 O ATOM 1747 CB HIS A 111 5.958 -8.407 5.526 1.00 0.00 C ATOM 1748 CG HIS A 111 5.136 -9.489 6.156 1.00 0.00 C ATOM 1749 ND1 HIS A 111 5.147 -9.750 7.510 1.00 0.00 N ATOM 1750 CD2 HIS A 111 4.274 -10.377 5.609 1.00 0.00 C ATOM 1751 CE1 HIS A 111 4.328 -10.754 7.769 1.00 0.00 C ATOM 1752 NE2 HIS A 111 3.785 -11.152 6.632 1.00 0.00 N ATOM 0 H HIS A 111 7.455 -6.940 4.219 1.00 0.00 H new ATOM 0 HA HIS A 111 7.949 -9.192 5.711 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.188 -7.652 6.278 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.367 -7.917 4.752 1.00 0.00 H new ATOM 0 HD2 HIS A 111 4.018 -10.461 4.563 1.00 0.00 H new ATOM 0 HE1 HIS A 111 4.135 -11.177 8.744 1.00 0.00 H new ATOM 0 HE2 HIS A 111 3.112 -11.912 6.531 1.00 0.00 H new ATOM 1761 N PHE A 112 6.158 -9.975 3.032 1.00 0.00 N ATOM 1762 CA PHE A 112 5.815 -11.073 2.136 1.00 0.00 C ATOM 1763 C PHE A 112 7.057 -11.604 1.426 1.00 0.00 C ATOM 1764 O PHE A 112 7.257 -12.814 1.324 1.00 0.00 O ATOM 1765 CB PHE A 112 4.781 -10.615 1.106 1.00 0.00 C ATOM 1766 CG PHE A 112 3.472 -10.199 1.714 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.692 -11.113 2.404 1.00 0.00 C ATOM 1768 CD2 PHE A 112 3.022 -8.894 1.595 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.488 -10.734 2.965 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.818 -8.509 2.154 1.00 0.00 C ATOM 1771 CZ PHE A 112 1.049 -9.430 2.839 1.00 0.00 C ATOM 0 H PHE A 112 5.706 -9.089 2.806 1.00 0.00 H new ATOM 0 HA PHE A 112 5.389 -11.878 2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.191 -9.779 0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.603 -11.424 0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.029 -12.134 2.504 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.618 -8.170 1.060 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.890 -11.456 3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.478 -7.489 2.055 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.107 -9.131 3.275 1.00 0.00 H new ATOM 1781 N SER A 113 7.888 -10.689 0.937 1.00 0.00 N ATOM 1782 CA SER A 113 9.108 -11.064 0.232 1.00 0.00 C ATOM 1783 C SER A 113 10.343 -10.635 1.019 1.00 0.00 C ATOM 1784 O SER A 113 10.799 -9.497 0.909 1.00 0.00 O ATOM 1785 CB SER A 113 9.133 -10.431 -1.161 1.00 0.00 C ATOM 1786 OG SER A 113 10.425 -10.515 -1.736 1.00 0.00 O ATOM 0 H SER A 113 7.739 -9.683 1.016 1.00 0.00 H new ATOM 0 HA SER A 113 9.121 -12.149 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.411 -10.933 -1.805 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.828 -9.387 -1.095 1.00 0.00 H new ATOM 0 HG SER A 113 10.414 -10.105 -2.626 1.00 0.00 H new ATOM 1792 N SER A 114 10.880 -11.556 1.813 1.00 0.00 N ATOM 1793 CA SER A 114 12.060 -11.274 2.622 1.00 0.00 C ATOM 1794 C SER A 114 13.089 -10.479 1.824 1.00 0.00 C ATOM 1795 O SER A 114 13.142 -10.567 0.598 1.00 0.00 O ATOM 1796 CB SER A 114 12.683 -12.578 3.125 1.00 0.00 C ATOM 1797 OG SER A 114 13.640 -12.328 4.140 1.00 0.00 O ATOM 0 H SER A 114 10.517 -12.504 1.913 1.00 0.00 H new ATOM 0 HA SER A 114 11.749 -10.675 3.478 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.902 -13.233 3.511 1.00 0.00 H new ATOM 0 HB3 SER A 114 13.157 -13.102 2.295 1.00 0.00 H new ATOM 0 HG SER A 114 14.022 -13.177 4.446 1.00 0.00 H new ATOM 1803 N GLY A 115 13.906 -9.703 2.530 1.00 0.00 N ATOM 1804 CA GLY A 115 14.922 -8.904 1.871 1.00 0.00 C ATOM 1805 C GLY A 115 15.698 -8.037 2.843 1.00 0.00 C ATOM 1806 O GLY A 115 16.748 -8.427 3.355 1.00 0.00 O ATOM 0 H GLY A 115 13.882 -9.614 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.613 -9.562 1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 115 14.451 -8.270 1.120 1.00 0.00 H new ATOM 1810 N PRO A 116 15.178 -6.829 3.110 1.00 0.00 N ATOM 1811 CA PRO A 116 15.814 -5.880 4.028 1.00 0.00 C ATOM 1812 C PRO A 116 15.741 -6.340 5.480 1.00 0.00 C ATOM 1813 O PRO A 116 14.708 -6.831 5.935 1.00 0.00 O ATOM 1814 CB PRO A 116 15.000 -4.598 3.832 1.00 0.00 C ATOM 1815 CG PRO A 116 13.668 -5.065 3.355 1.00 0.00 C ATOM 1816 CD PRO A 116 13.930 -6.299 2.536 1.00 0.00 C ATOM 0 HA PRO A 116 16.878 -5.763 3.820 1.00 0.00 H new ATOM 0 HB2 PRO A 116 14.913 -4.038 4.763 1.00 0.00 H new ATOM 0 HB3 PRO A 116 15.472 -3.937 3.105 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.009 -5.287 4.194 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.176 -4.297 2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.113 -7.016 2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.043 -6.063 1.478 1.00 0.00 H new ATOM 1824 N SER A 117 16.845 -6.177 6.203 1.00 0.00 N ATOM 1825 CA SER A 117 16.907 -6.579 7.604 1.00 0.00 C ATOM 1826 C SER A 117 17.373 -5.422 8.481 1.00 0.00 C ATOM 1827 O SER A 117 18.557 -5.304 8.795 1.00 0.00 O ATOM 1828 CB SER A 117 17.849 -7.773 7.772 1.00 0.00 C ATOM 1829 OG SER A 117 17.685 -8.377 9.044 1.00 0.00 O ATOM 0 H SER A 117 17.708 -5.770 5.842 1.00 0.00 H new ATOM 0 HA SER A 117 15.904 -6.869 7.918 1.00 0.00 H new ATOM 0 HB2 SER A 117 17.654 -8.507 6.990 1.00 0.00 H new ATOM 0 HB3 SER A 117 18.882 -7.445 7.652 1.00 0.00 H new ATOM 0 HG SER A 117 18.297 -9.138 9.126 1.00 0.00 H new ATOM 1835 N SER A 118 16.432 -4.569 8.874 1.00 0.00 N ATOM 1836 CA SER A 118 16.746 -3.417 9.712 1.00 0.00 C ATOM 1837 C SER A 118 16.867 -3.828 11.176 1.00 0.00 C ATOM 1838 O SER A 118 16.089 -4.643 11.670 1.00 0.00 O ATOM 1839 CB SER A 118 15.670 -2.341 9.560 1.00 0.00 C ATOM 1840 OG SER A 118 15.912 -1.535 8.420 1.00 0.00 O ATOM 0 H SER A 118 15.446 -4.654 8.626 1.00 0.00 H new ATOM 0 HA SER A 118 17.704 -3.011 9.386 1.00 0.00 H new ATOM 0 HB2 SER A 118 14.690 -2.811 9.475 1.00 0.00 H new ATOM 0 HB3 SER A 118 15.647 -1.716 10.453 1.00 0.00 H new ATOM 0 HG SER A 118 15.209 -0.856 8.344 1.00 0.00 H new ATOM 1846 N GLY A 119 17.850 -3.257 11.865 1.00 0.00 N ATOM 1847 CA GLY A 119 18.057 -3.576 13.266 1.00 0.00 C ATOM 1848 C GLY A 119 18.953 -4.783 13.460 1.00 0.00 C ATOM 1849 O GLY A 119 18.690 -5.854 12.914 1.00 0.00 O ATOM 0 H GLY A 119 18.507 -2.579 11.478 1.00 0.00 H new ATOM 0 HA2 GLY A 119 18.498 -2.716 13.770 1.00 0.00 H new ATOM 0 HA3 GLY A 119 17.093 -3.763 13.739 1.00 0.00 H new TER 1853 GLY A 119