USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1137 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 55 SER OG : rot 154:sc= 0.509 USER MOD Set 1.2: A 57 GLN : amide:sc= 0.556 X(o=1.1,f=1.1) USER MOD Set 2.1: A 31 GLN : amide:sc= -0.393 X(o=-0.42,f=-0.5) USER MOD Set 2.2: A 49 MET CE :methyl 173:sc= -0.0243 (180deg=-0.139) USER MOD Set 3.1: A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 5 MET CE :methyl -171:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0243 (180deg=-0.181) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0518 USER MOD Single : A 13 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.39) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.551) USER MOD Single : A 24 GLN : amide:sc=-0.00287 X(o=-0.0029,f=-0.37) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -171:sc= 0.576 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.927 K(o=-0.93,f=-2.1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0229) USER MOD Single : A 66 THR OG1 : rot 141:sc= 1.24 USER MOD Single : A 70 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -176:sc= 0 (180deg=-0.0223) USER MOD Single : A 76 THR OG1 : rot 146:sc= 1.28 USER MOD Single : A 77 THR OG1 : rot 107:sc= 0.681 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0581 USER MOD Single : A 79 HIS : no HD1:sc= -0.515 X(o=-0.52,f=-0.1) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0351 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -63:sc= 1.28 USER MOD Single : A 99 THR OG1 : rot -168:sc= 0.733 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 1.13 K(o=1.1,f=-0.016) USER MOD Single : A 108 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-4.8!) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 176:sc= 0.644 (180deg=0.634) USER MOD Single : A 119 LYS NZ :NH3+ -170:sc= 0.944 (180deg=0.708) USER MOD Single : A 123 THR OG1 : rot 29:sc= 0.0545 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 129 LYS NZ :NH3+ 177:sc= 0.788 (180deg=0.785) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0563 USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.0401 USER MOD Single : A 137 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.46) USER MOD Single : A 141 THR OG1 : rot 84:sc= 0.37 USER MOD Single : A 143 LYS NZ :NH3+ -164:sc= -0.0181 (180deg=-0.208) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.303 33.349 52.830 1.00 87.08 N ATOM 2 CA MET A 1 -15.469 32.848 51.443 1.00 86.32 C ATOM 3 C MET A 1 -14.173 33.048 50.644 1.00 84.72 C ATOM 4 O MET A 1 -13.597 34.136 50.700 1.00 84.40 O ATOM 5 CB MET A 1 -16.629 33.550 50.711 1.00 86.34 C ATOM 6 CG MET A 1 -17.986 33.399 51.407 1.00 87.87 C ATOM 7 SD MET A 1 -19.318 34.302 50.582 1.00 88.00 S ATOM 8 CE MET A 1 -20.710 33.857 51.659 1.00 89.74 C ATOM 0 H1 MET A 1 -16.103 33.029 53.413 1.00 87.08 H new ATOM 0 H2 MET A 1 -14.415 32.981 53.228 1.00 87.08 H new ATOM 0 H3 MET A 1 -15.275 34.389 52.823 1.00 87.08 H new ATOM 0 HA MET A 1 -15.703 31.786 51.513 1.00 86.32 H new ATOM 0 HB2 MET A 1 -16.397 34.611 50.616 1.00 86.34 H new ATOM 0 HB3 MET A 1 -16.704 33.148 49.700 1.00 86.34 H new ATOM 0 HG2 MET A 1 -18.247 32.342 51.453 1.00 87.87 H new ATOM 0 HG3 MET A 1 -17.900 33.751 52.435 1.00 87.87 H new ATOM 0 HE1 MET A 1 -21.620 34.333 51.293 1.00 89.74 H new ATOM 0 HE2 MET A 1 -20.840 32.775 51.657 1.00 89.74 H new ATOM 0 HE3 MET A 1 -20.507 34.196 52.675 1.00 89.74 H new ATOM 20 N GLY A 2 -13.756 32.036 49.864 1.00 83.75 N ATOM 21 CA GLY A 2 -12.592 32.039 48.948 1.00 82.19 C ATOM 22 C GLY A 2 -12.384 30.672 48.269 1.00 81.35 C ATOM 23 O GLY A 2 -13.089 29.728 48.616 1.00 82.16 O ATOM 0 H GLY A 2 -14.247 31.142 49.852 1.00 83.75 H new ATOM 0 HA2 GLY A 2 -12.734 32.804 48.185 1.00 82.19 H new ATOM 0 HA3 GLY A 2 -11.694 32.307 49.505 1.00 82.19 H new ATOM 27 N HIS A 3 -11.436 30.538 47.330 1.00 79.78 N ATOM 28 CA HIS A 3 -11.157 29.259 46.645 1.00 78.84 C ATOM 29 C HIS A 3 -9.743 29.193 46.023 1.00 77.41 C ATOM 30 O HIS A 3 -9.138 30.230 45.747 1.00 76.90 O ATOM 31 CB HIS A 3 -12.259 28.939 45.609 1.00 78.26 C ATOM 32 CG HIS A 3 -12.185 29.656 44.277 1.00 77.24 C ATOM 33 ND1 HIS A 3 -12.264 31.011 44.035 1.00 76.81 N ATOM 34 CD2 HIS A 3 -12.142 29.042 43.053 1.00 76.65 C ATOM 35 CE1 HIS A 3 -12.258 31.195 42.704 1.00 75.98 C ATOM 36 NE2 HIS A 3 -12.184 30.021 42.057 1.00 75.85 N ATOM 0 H HIS A 3 -10.841 31.307 47.022 1.00 79.78 H new ATOM 0 HA HIS A 3 -11.173 28.484 47.411 1.00 78.84 H new ATOM 0 HB2 HIS A 3 -12.241 27.866 45.417 1.00 78.26 H new ATOM 0 HB3 HIS A 3 -13.224 29.166 46.062 1.00 78.26 H new ATOM 0 HD2 HIS A 3 -12.085 27.977 42.886 1.00 76.65 H new ATOM 0 HE1 HIS A 3 -12.306 32.159 42.219 1.00 75.98 H new ATOM 0 HE2 HIS A 3 -12.163 29.874 41.048 1.00 75.85 H new ATOM 44 N THR A 4 -9.225 27.977 45.766 1.00 76.80 N ATOM 45 CA THR A 4 -7.897 27.688 45.170 1.00 75.47 C ATOM 46 C THR A 4 -7.978 26.378 44.379 1.00 74.62 C ATOM 47 O THR A 4 -8.805 25.532 44.717 1.00 75.40 O ATOM 48 CB THR A 4 -6.820 27.640 46.274 1.00 76.19 C ATOM 49 OG1 THR A 4 -5.547 27.992 45.761 1.00 75.18 O ATOM 50 CG2 THR A 4 -6.711 26.296 47.010 1.00 77.08 C ATOM 0 H THR A 4 -9.743 27.124 45.977 1.00 76.80 H new ATOM 0 HA THR A 4 -7.610 28.482 44.480 1.00 75.47 H new ATOM 0 HB THR A 4 -7.154 28.372 47.010 1.00 76.19 H new ATOM 0 HG1 THR A 4 -4.883 27.955 46.481 1.00 75.18 H new ATOM 0 HG21 THR A 4 -5.929 26.358 47.767 1.00 77.08 H new ATOM 0 HG22 THR A 4 -7.662 26.066 47.490 1.00 77.08 H new ATOM 0 HG23 THR A 4 -6.464 25.510 46.297 1.00 77.08 H new ATOM 58 N MET A 5 -7.162 26.195 43.334 1.00 73.07 N ATOM 59 CA MET A 5 -7.227 25.012 42.453 1.00 72.08 C ATOM 60 C MET A 5 -5.843 24.366 42.232 1.00 71.18 C ATOM 61 O MET A 5 -4.931 25.078 41.802 1.00 70.49 O ATOM 62 CB MET A 5 -7.833 25.402 41.095 1.00 71.11 C ATOM 63 CG MET A 5 -9.275 25.901 41.216 1.00 70.69 C ATOM 64 SD MET A 5 -10.077 26.107 39.609 1.00 69.83 S ATOM 65 CE MET A 5 -11.720 26.609 40.178 1.00 70.19 C ATOM 0 H MET A 5 -6.436 26.861 43.071 1.00 73.07 H new ATOM 0 HA MET A 5 -7.859 24.276 42.950 1.00 72.08 H new ATOM 0 HB2 MET A 5 -7.221 26.179 40.638 1.00 71.11 H new ATOM 0 HB3 MET A 5 -7.805 24.540 40.428 1.00 71.11 H new ATOM 0 HG2 MET A 5 -9.850 25.197 41.817 1.00 70.69 H new ATOM 0 HG3 MET A 5 -9.283 26.853 41.746 1.00 70.69 H new ATOM 0 HE1 MET A 5 -12.408 26.629 39.332 1.00 70.19 H new ATOM 0 HE2 MET A 5 -12.080 25.899 40.922 1.00 70.19 H new ATOM 0 HE3 MET A 5 -11.663 27.603 40.623 1.00 70.19 H new ATOM 75 N PRO A 6 -5.658 23.056 42.498 1.00 71.21 N ATOM 76 CA PRO A 6 -4.395 22.359 42.256 1.00 70.38 C ATOM 77 C PRO A 6 -4.251 21.979 40.775 1.00 68.81 C ATOM 78 O PRO A 6 -5.188 21.464 40.168 1.00 68.86 O ATOM 79 CB PRO A 6 -4.438 21.122 43.161 1.00 71.23 C ATOM 80 CG PRO A 6 -5.930 20.804 43.258 1.00 71.89 C ATOM 81 CD PRO A 6 -6.595 22.178 43.192 1.00 72.22 C ATOM 0 HA PRO A 6 -3.531 22.984 42.482 1.00 70.38 H new ATOM 0 HB2 PRO A 6 -3.877 20.291 42.732 1.00 71.23 H new ATOM 0 HB3 PRO A 6 -4.006 21.326 44.141 1.00 71.23 H new ATOM 0 HG2 PRO A 6 -6.257 20.161 42.441 1.00 71.89 H new ATOM 0 HG3 PRO A 6 -6.170 20.286 44.187 1.00 71.89 H new ATOM 0 HD2 PRO A 6 -7.545 22.125 42.659 1.00 72.22 H new ATOM 0 HD3 PRO A 6 -6.811 22.553 44.192 1.00 72.22 H new ATOM 89 N ALA A 7 -3.067 22.204 40.196 1.00 67.46 N ATOM 90 CA ALA A 7 -2.764 21.898 38.797 1.00 65.84 C ATOM 91 C ALA A 7 -1.260 21.661 38.612 1.00 64.84 C ATOM 92 O ALA A 7 -0.433 22.427 39.102 1.00 64.83 O ATOM 93 CB ALA A 7 -3.279 23.027 37.889 1.00 65.02 C ATOM 0 H ALA A 7 -2.278 22.612 40.698 1.00 67.46 H new ATOM 0 HA ALA A 7 -3.275 20.979 38.512 1.00 65.84 H new ATOM 0 HB1 ALA A 7 -3.049 22.791 36.850 1.00 65.02 H new ATOM 0 HB2 ALA A 7 -4.358 23.127 38.009 1.00 65.02 H new ATOM 0 HB3 ALA A 7 -2.795 23.964 38.164 1.00 65.02 H new ATOM 99 N HIS A 8 -0.910 20.583 37.919 1.00 64.07 N ATOM 100 CA HIS A 8 0.461 20.114 37.710 1.00 63.20 C ATOM 101 C HIS A 8 0.477 19.192 36.483 1.00 62.13 C ATOM 102 O HIS A 8 -0.523 18.516 36.215 1.00 62.43 O ATOM 103 CB HIS A 8 0.938 19.373 38.978 1.00 64.24 C ATOM 104 CG HIS A 8 2.341 18.810 38.922 1.00 63.99 C ATOM 105 ND1 HIS A 8 2.708 17.526 38.571 1.00 64.14 N ATOM 106 CD2 HIS A 8 3.490 19.455 39.304 1.00 63.73 C ATOM 107 CE1 HIS A 8 4.037 17.418 38.717 1.00 63.97 C ATOM 108 NE2 HIS A 8 4.561 18.561 39.191 1.00 63.74 N ATOM 0 H HIS A 8 -1.601 19.984 37.467 1.00 64.07 H new ATOM 0 HA HIS A 8 1.138 20.949 37.529 1.00 63.20 H new ATOM 0 HB2 HIS A 8 0.876 20.059 39.822 1.00 64.24 H new ATOM 0 HB3 HIS A 8 0.246 18.555 39.180 1.00 64.24 H new ATOM 0 HD2 HIS A 8 3.557 20.480 39.636 1.00 63.73 H new ATOM 0 HE1 HIS A 8 4.609 16.532 38.485 1.00 63.97 H new ATOM 0 HE2 HIS A 8 5.538 18.740 39.421 1.00 63.74 H new ATOM 116 N THR A 9 1.604 19.133 35.764 1.00 60.98 N ATOM 117 CA THR A 9 1.777 18.309 34.563 1.00 59.88 C ATOM 118 C THR A 9 3.274 18.043 34.362 1.00 59.10 C ATOM 119 O THR A 9 4.068 18.945 34.656 1.00 58.93 O ATOM 120 CB THR A 9 1.094 18.969 33.350 1.00 59.00 C ATOM 121 OG1 THR A 9 1.074 18.045 32.293 1.00 58.47 O ATOM 122 CG2 THR A 9 1.765 20.255 32.861 1.00 58.08 C ATOM 0 H THR A 9 2.438 19.668 36.006 1.00 60.98 H new ATOM 0 HA THR A 9 1.286 17.343 34.681 1.00 59.88 H new ATOM 0 HB THR A 9 0.094 19.253 33.678 1.00 59.00 H new ATOM 0 HG1 THR A 9 0.640 18.450 31.513 1.00 58.47 H new ATOM 0 HG21 THR A 9 1.217 20.649 32.005 1.00 58.08 H new ATOM 0 HG22 THR A 9 1.765 20.993 33.663 1.00 58.08 H new ATOM 0 HG23 THR A 9 2.792 20.040 32.566 1.00 58.08 H new ATOM 130 N PRO A 10 3.685 16.843 33.907 1.00 58.71 N ATOM 131 CA PRO A 10 5.074 16.563 33.570 1.00 57.94 C ATOM 132 C PRO A 10 5.462 17.244 32.241 1.00 56.22 C ATOM 133 O PRO A 10 4.583 17.599 31.453 1.00 55.54 O ATOM 134 CB PRO A 10 5.169 15.033 33.482 1.00 58.23 C ATOM 135 CG PRO A 10 3.771 14.630 33.019 1.00 58.33 C ATOM 136 CD PRO A 10 2.870 15.650 33.715 1.00 59.11 C ATOM 0 HA PRO A 10 5.767 16.956 34.314 1.00 57.94 H new ATOM 0 HB2 PRO A 10 5.936 14.716 32.775 1.00 58.23 H new ATOM 0 HB3 PRO A 10 5.420 14.588 34.445 1.00 58.23 H new ATOM 0 HG2 PRO A 10 3.675 14.681 31.934 1.00 58.33 H new ATOM 0 HG3 PRO A 10 3.527 13.609 33.313 1.00 58.33 H new ATOM 0 HD2 PRO A 10 1.991 15.871 33.109 1.00 59.11 H new ATOM 0 HD3 PRO A 10 2.511 15.266 34.670 1.00 59.11 H new ATOM 144 N PRO A 11 6.770 17.417 31.969 1.00 55.57 N ATOM 145 CA PRO A 11 7.271 17.965 30.712 1.00 53.97 C ATOM 146 C PRO A 11 7.274 16.924 29.581 1.00 52.92 C ATOM 147 O PRO A 11 7.071 15.731 29.807 1.00 53.33 O ATOM 148 CB PRO A 11 8.686 18.450 31.043 1.00 54.03 C ATOM 149 CG PRO A 11 9.153 17.433 32.086 1.00 55.34 C ATOM 150 CD PRO A 11 7.877 17.147 32.879 1.00 56.44 C ATOM 0 HA PRO A 11 6.635 18.768 30.340 1.00 53.97 H new ATOM 0 HB2 PRO A 11 9.330 18.453 30.163 1.00 54.03 H new ATOM 0 HB3 PRO A 11 8.684 19.465 31.440 1.00 54.03 H new ATOM 0 HG2 PRO A 11 9.550 16.531 31.621 1.00 55.34 H new ATOM 0 HG3 PRO A 11 9.941 17.838 32.721 1.00 55.34 H new ATOM 0 HD2 PRO A 11 7.855 16.113 33.224 1.00 56.44 H new ATOM 0 HD3 PRO A 11 7.818 17.780 33.764 1.00 56.44 H new ATOM 158 N ALA A 12 7.572 17.382 28.362 1.00 51.61 N ATOM 159 CA ALA A 12 7.731 16.550 27.172 1.00 50.53 C ATOM 160 C ALA A 12 8.564 17.265 26.089 1.00 49.10 C ATOM 161 O ALA A 12 8.781 18.479 26.127 1.00 49.01 O ATOM 162 CB ALA A 12 6.335 16.161 26.654 1.00 50.40 C ATOM 0 H ALA A 12 7.713 18.374 28.173 1.00 51.61 H new ATOM 0 HA ALA A 12 8.282 15.646 27.432 1.00 50.53 H new ATOM 0 HB1 ALA A 12 6.437 15.539 25.765 1.00 50.40 H new ATOM 0 HB2 ALA A 12 5.802 15.606 27.426 1.00 50.40 H new ATOM 0 HB3 ALA A 12 5.776 17.062 26.404 1.00 50.40 H new ATOM 168 N GLN A 13 8.994 16.513 25.079 1.00 48.03 N ATOM 169 CA GLN A 13 9.577 17.024 23.843 1.00 46.51 C ATOM 170 C GLN A 13 8.871 16.324 22.664 1.00 45.20 C ATOM 171 O GLN A 13 8.454 15.173 22.802 1.00 45.75 O ATOM 172 CB GLN A 13 11.100 16.782 23.837 1.00 46.87 C ATOM 173 CG GLN A 13 11.914 17.762 24.718 1.00 47.16 C ATOM 174 CD GLN A 13 11.925 17.489 26.229 1.00 48.38 C ATOM 175 OE1 GLN A 13 11.762 16.369 26.712 1.00 49.07 O ATOM 176 NE2 GLN A 13 12.153 18.503 27.049 1.00 48.82 N ATOM 0 H GLN A 13 8.944 15.494 25.100 1.00 48.03 H new ATOM 0 HA GLN A 13 9.431 18.101 23.755 1.00 46.51 H new ATOM 0 HB2 GLN A 13 11.294 15.764 24.175 1.00 46.87 H new ATOM 0 HB3 GLN A 13 11.461 16.851 22.811 1.00 46.87 H new ATOM 0 HG2 GLN A 13 12.945 17.760 24.365 1.00 47.16 H new ATOM 0 HG3 GLN A 13 11.524 18.767 24.557 1.00 47.16 H new ATOM 0 HE21 GLN A 13 12.291 19.441 26.674 1.00 48.82 H new ATOM 0 HE22 GLN A 13 12.190 18.346 28.056 1.00 48.82 H new ATOM 185 N THR A 14 8.695 17.039 21.543 1.00 43.54 N ATOM 186 CA THR A 14 7.992 16.623 20.315 1.00 42.07 C ATOM 187 C THR A 14 8.104 17.740 19.273 1.00 40.49 C ATOM 188 O THR A 14 8.458 18.869 19.619 1.00 40.63 O ATOM 189 CB THR A 14 6.536 16.185 20.593 1.00 42.12 C ATOM 190 OG1 THR A 14 5.970 15.595 19.443 1.00 41.22 O ATOM 191 CG2 THR A 14 5.628 17.333 21.034 1.00 42.01 C ATOM 0 H THR A 14 9.064 17.987 21.462 1.00 43.54 H new ATOM 0 HA THR A 14 8.472 15.733 19.909 1.00 42.07 H new ATOM 0 HB THR A 14 6.598 15.470 21.413 1.00 42.12 H new ATOM 0 HG1 THR A 14 5.049 15.321 19.635 1.00 41.22 H new ATOM 0 HG21 THR A 14 4.622 16.953 21.212 1.00 42.01 H new ATOM 0 HG22 THR A 14 6.017 17.773 21.952 1.00 42.01 H new ATOM 0 HG23 THR A 14 5.597 18.093 20.253 1.00 42.01 H new ATOM 199 N ALA A 15 7.786 17.435 18.014 1.00 39.07 N ATOM 200 CA ALA A 15 7.826 18.364 16.875 1.00 37.46 C ATOM 201 C ALA A 15 6.886 17.896 15.733 1.00 35.90 C ATOM 202 O ALA A 15 7.369 17.425 14.694 1.00 35.33 O ATOM 203 CB ALA A 15 9.289 18.546 16.427 1.00 37.62 C ATOM 0 H ALA A 15 7.481 16.499 17.746 1.00 39.07 H new ATOM 0 HA ALA A 15 7.447 19.340 17.177 1.00 37.46 H new ATOM 0 HB1 ALA A 15 9.328 19.234 15.582 1.00 37.62 H new ATOM 0 HB2 ALA A 15 9.874 18.951 17.252 1.00 37.62 H new ATOM 0 HB3 ALA A 15 9.701 17.582 16.129 1.00 37.62 H new ATOM 209 N PRO A 16 5.555 17.943 15.943 1.00 35.34 N ATOM 210 CA PRO A 16 4.578 17.485 14.968 1.00 33.93 C ATOM 211 C PRO A 16 4.401 18.519 13.853 1.00 32.11 C ATOM 212 O PRO A 16 4.490 19.724 14.086 1.00 32.02 O ATOM 213 CB PRO A 16 3.284 17.287 15.762 1.00 34.32 C ATOM 214 CG PRO A 16 3.378 18.364 16.844 1.00 35.18 C ATOM 215 CD PRO A 16 4.877 18.422 17.143 1.00 36.19 C ATOM 0 HA PRO A 16 4.887 16.563 14.475 1.00 33.93 H new ATOM 0 HB2 PRO A 16 2.402 17.420 15.136 1.00 34.32 H new ATOM 0 HB3 PRO A 16 3.223 16.287 16.192 1.00 34.32 H new ATOM 0 HG2 PRO A 16 2.999 19.324 16.492 1.00 35.18 H new ATOM 0 HG3 PRO A 16 2.800 18.098 17.729 1.00 35.18 H new ATOM 0 HD2 PRO A 16 5.186 19.439 17.384 1.00 36.19 H new ATOM 0 HD3 PRO A 16 5.126 17.801 18.004 1.00 36.19 H new ATOM 223 N ALA A 17 4.087 18.040 12.648 1.00 30.76 N ATOM 224 CA ALA A 17 3.663 18.863 11.516 1.00 28.94 C ATOM 225 C ALA A 17 2.610 18.105 10.694 1.00 27.79 C ATOM 226 O ALA A 17 2.794 16.925 10.392 1.00 28.09 O ATOM 227 CB ALA A 17 4.889 19.236 10.670 1.00 28.54 C ATOM 0 H ALA A 17 4.122 17.045 12.428 1.00 30.76 H new ATOM 0 HA ALA A 17 3.206 19.787 11.870 1.00 28.94 H new ATOM 0 HB1 ALA A 17 4.575 19.850 9.825 1.00 28.54 H new ATOM 0 HB2 ALA A 17 5.597 19.795 11.282 1.00 28.54 H new ATOM 0 HB3 ALA A 17 5.366 18.328 10.301 1.00 28.54 H new ATOM 233 N ALA A 18 1.511 18.785 10.350 1.00 26.59 N ATOM 234 CA ALA A 18 0.346 18.200 9.688 1.00 25.47 C ATOM 235 C ALA A 18 -0.539 19.298 9.072 1.00 23.97 C ATOM 236 O ALA A 18 -1.642 19.559 9.542 1.00 24.17 O ATOM 237 CB ALA A 18 -0.413 17.296 10.680 1.00 26.30 C ATOM 0 H ALA A 18 1.407 19.784 10.530 1.00 26.59 H new ATOM 0 HA ALA A 18 0.669 17.571 8.858 1.00 25.47 H new ATOM 0 HB1 ALA A 18 -1.281 16.861 10.185 1.00 26.30 H new ATOM 0 HB2 ALA A 18 0.246 16.499 11.024 1.00 26.30 H new ATOM 0 HB3 ALA A 18 -0.742 17.888 11.534 1.00 26.30 H new ATOM 243 N GLN A 19 -0.052 19.948 8.010 1.00 22.63 N ATOM 244 CA GLN A 19 -0.921 20.711 7.108 1.00 21.09 C ATOM 245 C GLN A 19 -1.287 19.817 5.911 1.00 19.84 C ATOM 246 O GLN A 19 -0.402 19.306 5.218 1.00 20.01 O ATOM 247 CB GLN A 19 -0.261 22.034 6.673 1.00 21.08 C ATOM 248 CG GLN A 19 -0.075 23.031 7.840 1.00 21.70 C ATOM 249 CD GLN A 19 0.326 24.427 7.360 1.00 21.51 C ATOM 250 OE1 GLN A 19 1.360 24.645 6.741 1.00 21.59 O ATOM 251 NE2 GLN A 19 -0.470 25.455 7.566 1.00 21.45 N ATOM 0 H GLN A 19 0.935 19.961 7.754 1.00 22.63 H new ATOM 0 HA GLN A 19 -1.836 20.995 7.628 1.00 21.09 H new ATOM 0 HB2 GLN A 19 0.711 21.819 6.228 1.00 21.08 H new ATOM 0 HB3 GLN A 19 -0.870 22.500 5.899 1.00 21.08 H new ATOM 0 HG2 GLN A 19 -1.003 23.098 8.408 1.00 21.70 H new ATOM 0 HG3 GLN A 19 0.688 22.651 8.520 1.00 21.70 H new ATOM 0 HE21 GLN A 19 -1.344 25.329 8.076 1.00 21.45 H new ATOM 0 HE22 GLN A 19 -0.213 26.378 7.215 1.00 21.45 H new ATOM 260 N LYS A 20 -2.593 19.608 5.691 1.00 18.77 N ATOM 261 CA LYS A 20 -3.174 18.715 4.673 1.00 17.67 C ATOM 262 C LYS A 20 -4.666 19.084 4.459 1.00 16.59 C ATOM 263 O LYS A 20 -5.335 19.471 5.423 1.00 17.22 O ATOM 264 CB LYS A 20 -2.979 17.253 5.129 1.00 18.51 C ATOM 265 CG LYS A 20 -2.807 16.253 3.971 1.00 18.28 C ATOM 266 CD LYS A 20 -2.528 14.825 4.476 1.00 19.73 C ATOM 267 CE LYS A 20 -1.155 14.697 5.169 1.00 20.66 C ATOM 268 NZ LYS A 20 -1.106 13.555 6.117 1.00 22.07 N ATOM 0 H LYS A 20 -3.309 20.079 6.244 1.00 18.77 H new ATOM 0 HA LYS A 20 -2.674 18.832 3.711 1.00 17.67 H new ATOM 0 HB2 LYS A 20 -2.103 17.199 5.775 1.00 18.51 H new ATOM 0 HB3 LYS A 20 -3.838 16.953 5.730 1.00 18.51 H new ATOM 0 HG2 LYS A 20 -3.708 16.251 3.358 1.00 18.28 H new ATOM 0 HG3 LYS A 20 -1.987 16.578 3.331 1.00 18.28 H new ATOM 0 HD2 LYS A 20 -3.312 14.531 5.174 1.00 19.73 H new ATOM 0 HD3 LYS A 20 -2.573 14.132 3.636 1.00 19.73 H new ATOM 0 HE2 LYS A 20 -0.379 14.572 4.413 1.00 20.66 H new ATOM 0 HE3 LYS A 20 -0.933 15.620 5.704 1.00 20.66 H new ATOM 0 HZ1 LYS A 20 -0.656 13.859 7.004 1.00 22.07 H new ATOM 0 HZ2 LYS A 20 -2.073 13.226 6.314 1.00 22.07 H new ATOM 0 HZ3 LYS A 20 -0.555 12.779 5.698 1.00 22.07 H new ATOM 282 N ALA A 21 -5.171 19.042 3.219 1.00 15.20 N ATOM 283 CA ALA A 21 -6.393 19.771 2.835 1.00 14.14 C ATOM 284 C ALA A 21 -7.639 18.890 2.663 1.00 13.42 C ATOM 285 O ALA A 21 -8.730 19.275 3.087 1.00 13.18 O ATOM 286 CB ALA A 21 -6.090 20.542 1.542 1.00 13.46 C ATOM 0 H ALA A 21 -4.751 18.508 2.458 1.00 15.20 H new ATOM 0 HA ALA A 21 -6.648 20.441 3.656 1.00 14.14 H new ATOM 0 HB1 ALA A 21 -6.977 21.093 1.231 1.00 13.46 H new ATOM 0 HB2 ALA A 21 -5.272 21.240 1.718 1.00 13.46 H new ATOM 0 HB3 ALA A 21 -5.806 19.840 0.758 1.00 13.46 H new ATOM 292 N GLY A 22 -7.493 17.734 2.006 1.00 13.26 N ATOM 293 CA GLY A 22 -8.594 16.872 1.570 1.00 12.61 C ATOM 294 C GLY A 22 -9.250 17.338 0.258 1.00 11.10 C ATOM 295 O GLY A 22 -8.720 18.171 -0.477 1.00 10.88 O ATOM 0 H GLY A 22 -6.577 17.362 1.756 1.00 13.26 H new ATOM 0 HA2 GLY A 22 -8.221 15.856 1.441 1.00 12.61 H new ATOM 0 HA3 GLY A 22 -9.351 16.837 2.354 1.00 12.61 H new ATOM 299 N ALA A 23 -10.414 16.762 -0.036 1.00 10.37 N ATOM 300 CA ALA A 23 -11.263 17.031 -1.205 1.00 9.11 C ATOM 301 C ALA A 23 -12.672 16.472 -0.940 1.00 8.79 C ATOM 302 O ALA A 23 -12.824 15.597 -0.086 1.00 9.77 O ATOM 303 CB ALA A 23 -10.630 16.415 -2.462 1.00 9.13 C ATOM 0 H ALA A 23 -10.819 16.049 0.571 1.00 10.37 H new ATOM 0 HA ALA A 23 -11.347 18.104 -1.374 1.00 9.11 H new ATOM 0 HB1 ALA A 23 -11.264 16.618 -3.325 1.00 9.13 H new ATOM 0 HB2 ALA A 23 -9.645 16.852 -2.625 1.00 9.13 H new ATOM 0 HB3 ALA A 23 -10.532 15.338 -2.329 1.00 9.13 H new ATOM 309 N GLN A 24 -13.700 16.981 -1.620 1.00 7.93 N ATOM 310 CA GLN A 24 -15.094 16.609 -1.340 1.00 8.06 C ATOM 311 C GLN A 24 -15.751 15.908 -2.535 1.00 7.17 C ATOM 312 O GLN A 24 -15.444 16.225 -3.677 1.00 6.97 O ATOM 313 CB GLN A 24 -15.883 17.855 -0.909 1.00 8.74 C ATOM 314 CG GLN A 24 -15.482 18.336 0.502 1.00 10.13 C ATOM 315 CD GLN A 24 -16.016 19.734 0.801 1.00 11.22 C ATOM 316 OE1 GLN A 24 -15.912 20.635 -0.024 1.00 11.05 O ATOM 317 NE2 GLN A 24 -16.599 19.993 1.951 1.00 12.70 N ATOM 0 H GLN A 24 -13.595 17.658 -2.376 1.00 7.93 H new ATOM 0 HA GLN A 24 -15.102 15.889 -0.522 1.00 8.06 H new ATOM 0 HB2 GLN A 24 -15.713 18.657 -1.627 1.00 8.74 H new ATOM 0 HB3 GLN A 24 -16.950 17.632 -0.926 1.00 8.74 H new ATOM 0 HG2 GLN A 24 -15.862 17.636 1.246 1.00 10.13 H new ATOM 0 HG3 GLN A 24 -14.396 18.336 0.590 1.00 10.13 H new ATOM 0 HE21 GLN A 24 -16.696 19.257 2.651 1.00 12.70 H new ATOM 0 HE22 GLN A 24 -16.955 20.930 2.143 1.00 12.70 H new ATOM 326 N ALA A 25 -16.653 14.961 -2.220 1.00 7.20 N ATOM 327 CA ALA A 25 -17.415 14.060 -3.107 1.00 6.66 C ATOM 328 C ALA A 25 -16.614 12.789 -3.448 1.00 6.08 C ATOM 329 O ALA A 25 -15.702 12.810 -4.272 1.00 6.06 O ATOM 330 CB ALA A 25 -17.952 14.763 -4.363 1.00 6.81 C ATOM 0 H ALA A 25 -16.891 14.790 -1.243 1.00 7.20 H new ATOM 0 HA ALA A 25 -18.296 13.748 -2.545 1.00 6.66 H new ATOM 0 HB1 ALA A 25 -18.503 14.047 -4.973 1.00 6.81 H new ATOM 0 HB2 ALA A 25 -18.616 15.576 -4.069 1.00 6.81 H new ATOM 0 HB3 ALA A 25 -17.119 15.166 -4.939 1.00 6.81 H new ATOM 336 N LEU A 26 -16.961 11.659 -2.810 1.00 6.18 N ATOM 337 CA LEU A 26 -16.198 10.401 -2.880 1.00 5.99 C ATOM 338 C LEU A 26 -17.099 9.208 -3.285 1.00 5.43 C ATOM 339 O LEU A 26 -17.380 8.348 -2.443 1.00 5.83 O ATOM 340 CB LEU A 26 -15.462 10.143 -1.541 1.00 7.18 C ATOM 341 CG LEU A 26 -14.402 11.205 -1.156 1.00 8.25 C ATOM 342 CD1 LEU A 26 -14.978 12.275 -0.212 1.00 9.67 C ATOM 343 CD2 LEU A 26 -13.204 10.538 -0.463 1.00 9.61 C ATOM 0 H LEU A 26 -17.792 11.592 -2.222 1.00 6.18 H new ATOM 0 HA LEU A 26 -15.446 10.501 -3.663 1.00 5.99 H new ATOM 0 HB2 LEU A 26 -16.202 10.086 -0.743 1.00 7.18 H new ATOM 0 HB3 LEU A 26 -14.975 9.169 -1.594 1.00 7.18 H new ATOM 0 HG LEU A 26 -14.086 11.686 -2.081 1.00 8.25 H new ATOM 0 HD11 LEU A 26 -14.202 13.000 0.033 1.00 9.67 H new ATOM 0 HD12 LEU A 26 -15.808 12.784 -0.702 1.00 9.67 H new ATOM 0 HD13 LEU A 26 -15.333 11.800 0.703 1.00 9.67 H new ATOM 0 HD21 LEU A 26 -12.468 11.297 -0.199 1.00 9.61 H new ATOM 0 HD22 LEU A 26 -13.542 10.031 0.440 1.00 9.61 H new ATOM 0 HD23 LEU A 26 -12.751 9.813 -1.138 1.00 9.61 H new ATOM 355 N PRO A 27 -17.545 9.101 -4.557 1.00 5.00 N ATOM 356 CA PRO A 27 -18.473 8.061 -5.030 1.00 5.00 C ATOM 357 C PRO A 27 -17.796 6.690 -5.291 1.00 4.39 C ATOM 358 O PRO A 27 -18.226 5.940 -6.164 1.00 4.56 O ATOM 359 CB PRO A 27 -19.089 8.668 -6.298 1.00 5.54 C ATOM 360 CG PRO A 27 -17.923 9.457 -6.886 1.00 5.43 C ATOM 361 CD PRO A 27 -17.262 10.040 -5.638 1.00 5.20 C ATOM 0 HA PRO A 27 -19.220 7.816 -4.275 1.00 5.00 H new ATOM 0 HB2 PRO A 27 -19.446 7.900 -6.984 1.00 5.54 H new ATOM 0 HB3 PRO A 27 -19.939 9.310 -6.069 1.00 5.54 H new ATOM 0 HG2 PRO A 27 -17.241 8.818 -7.446 1.00 5.43 H new ATOM 0 HG3 PRO A 27 -18.262 10.236 -7.568 1.00 5.43 H new ATOM 0 HD2 PRO A 27 -16.188 10.156 -5.783 1.00 5.20 H new ATOM 0 HD3 PRO A 27 -17.661 11.028 -5.411 1.00 5.20 H new ATOM 369 N VAL A 28 -16.711 6.380 -4.572 1.00 3.98 N ATOM 370 CA VAL A 28 -15.764 5.285 -4.862 1.00 3.37 C ATOM 371 C VAL A 28 -14.878 5.006 -3.633 1.00 3.27 C ATOM 372 O VAL A 28 -14.602 5.931 -2.862 1.00 3.67 O ATOM 373 CB VAL A 28 -14.938 5.597 -6.137 1.00 3.11 C ATOM 374 CG1 VAL A 28 -14.020 6.825 -5.982 1.00 3.13 C ATOM 375 CG2 VAL A 28 -14.119 4.385 -6.603 1.00 3.36 C ATOM 0 H VAL A 28 -16.454 6.904 -3.736 1.00 3.98 H new ATOM 0 HA VAL A 28 -16.323 4.372 -5.068 1.00 3.37 H new ATOM 0 HB VAL A 28 -15.676 5.837 -6.903 1.00 3.11 H new ATOM 0 HG11 VAL A 28 -13.471 6.988 -6.909 1.00 3.13 H new ATOM 0 HG12 VAL A 28 -14.624 7.705 -5.758 1.00 3.13 H new ATOM 0 HG13 VAL A 28 -13.315 6.652 -5.168 1.00 3.13 H new ATOM 0 HG21 VAL A 28 -13.556 4.649 -7.498 1.00 3.36 H new ATOM 0 HG22 VAL A 28 -13.428 4.088 -5.814 1.00 3.36 H new ATOM 0 HG23 VAL A 28 -14.791 3.557 -6.828 1.00 3.36 H new ATOM 385 N THR A 29 -14.472 3.741 -3.424 1.00 3.04 N ATOM 386 CA THR A 29 -13.861 3.275 -2.162 1.00 3.17 C ATOM 387 C THR A 29 -12.385 2.916 -2.345 1.00 2.71 C ATOM 388 O THR A 29 -11.993 2.166 -3.238 1.00 3.00 O ATOM 389 CB THR A 29 -14.661 2.123 -1.540 1.00 3.85 C ATOM 390 OG1 THR A 29 -16.034 2.434 -1.639 1.00 4.30 O ATOM 391 CG2 THR A 29 -14.313 1.925 -0.065 1.00 4.60 C ATOM 0 H THR A 29 -14.558 3.008 -4.128 1.00 3.04 H new ATOM 0 HA THR A 29 -13.898 4.106 -1.457 1.00 3.17 H new ATOM 0 HB THR A 29 -14.417 1.205 -2.074 1.00 3.85 H new ATOM 0 HG1 THR A 29 -16.563 1.708 -1.248 1.00 4.30 H new ATOM 0 HG21 THR A 29 -14.900 1.101 0.340 1.00 4.60 H new ATOM 0 HG22 THR A 29 -13.252 1.696 0.031 1.00 4.60 H new ATOM 0 HG23 THR A 29 -14.539 2.837 0.488 1.00 4.60 H new ATOM 399 N VAL A 30 -11.569 3.472 -1.457 1.00 2.55 N ATOM 400 CA VAL A 30 -10.136 3.741 -1.676 1.00 2.41 C ATOM 401 C VAL A 30 -9.303 3.422 -0.419 1.00 1.95 C ATOM 402 O VAL A 30 -8.548 4.260 0.074 1.00 2.70 O ATOM 403 CB VAL A 30 -9.917 5.197 -2.185 1.00 3.41 C ATOM 404 CG1 VAL A 30 -10.433 5.385 -3.622 1.00 4.73 C ATOM 405 CG2 VAL A 30 -10.583 6.262 -1.289 1.00 4.11 C ATOM 0 H VAL A 30 -11.888 3.761 -0.532 1.00 2.55 H new ATOM 0 HA VAL A 30 -9.779 3.072 -2.459 1.00 2.41 H new ATOM 0 HB VAL A 30 -8.837 5.342 -2.153 1.00 3.41 H new ATOM 0 HG11 VAL A 30 -10.261 6.414 -3.939 1.00 4.73 H new ATOM 0 HG12 VAL A 30 -9.903 4.706 -4.291 1.00 4.73 H new ATOM 0 HG13 VAL A 30 -11.501 5.168 -3.656 1.00 4.73 H new ATOM 0 HG21 VAL A 30 -10.392 7.254 -1.699 1.00 4.11 H new ATOM 0 HG22 VAL A 30 -11.658 6.085 -1.251 1.00 4.11 H new ATOM 0 HG23 VAL A 30 -10.170 6.200 -0.282 1.00 4.11 H new ATOM 415 N GLN A 31 -9.467 2.197 0.106 1.00 2.31 N ATOM 416 CA GLN A 31 -8.964 1.721 1.405 1.00 2.49 C ATOM 417 C GLN A 31 -9.043 2.753 2.556 1.00 2.59 C ATOM 418 O GLN A 31 -9.892 3.645 2.556 1.00 3.70 O ATOM 419 CB GLN A 31 -7.564 1.084 1.243 1.00 2.93 C ATOM 420 CG GLN A 31 -6.414 2.059 0.912 1.00 3.02 C ATOM 421 CD GLN A 31 -6.187 2.409 -0.554 1.00 2.63 C ATOM 422 OE1 GLN A 31 -5.680 3.466 -0.870 1.00 2.89 O ATOM 423 NE2 GLN A 31 -6.488 1.565 -1.508 1.00 2.73 N ATOM 0 H GLN A 31 -9.983 1.472 -0.392 1.00 2.31 H new ATOM 0 HA GLN A 31 -9.654 0.943 1.733 1.00 2.49 H new ATOM 0 HB2 GLN A 31 -7.316 0.560 2.166 1.00 2.93 H new ATOM 0 HB3 GLN A 31 -7.617 0.334 0.454 1.00 2.93 H new ATOM 0 HG2 GLN A 31 -6.593 2.987 1.455 1.00 3.02 H new ATOM 0 HG3 GLN A 31 -5.490 1.634 1.303 1.00 3.02 H new ATOM 0 HE21 GLN A 31 -6.915 0.667 -1.279 1.00 2.73 H new ATOM 0 HE22 GLN A 31 -6.295 1.805 -2.481 1.00 2.73 H new ATOM 432 N GLY A 32 -8.178 2.604 3.566 1.00 2.55 N ATOM 433 CA GLY A 32 -7.845 3.624 4.572 1.00 2.36 C ATOM 434 C GLY A 32 -6.332 3.774 4.796 1.00 1.95 C ATOM 435 O GLY A 32 -5.927 4.284 5.841 1.00 2.45 O ATOM 0 H GLY A 32 -7.668 1.733 3.712 1.00 2.55 H new ATOM 0 HA2 GLY A 32 -8.257 4.583 4.259 1.00 2.36 H new ATOM 0 HA3 GLY A 32 -8.323 3.364 5.517 1.00 2.36 H new ATOM 439 N ALA A 33 -5.508 3.279 3.848 1.00 1.36 N ATOM 440 CA ALA A 33 -4.044 3.191 3.924 1.00 1.16 C ATOM 441 C ALA A 33 -3.631 2.543 5.258 1.00 1.04 C ATOM 442 O ALA A 33 -2.988 3.162 6.108 1.00 1.33 O ATOM 443 CB ALA A 33 -3.426 4.567 3.623 1.00 1.59 C ATOM 0 H ALA A 33 -5.869 2.913 2.967 1.00 1.36 H new ATOM 0 HA ALA A 33 -3.639 2.530 3.157 1.00 1.16 H new ATOM 0 HB1 ALA A 33 -2.340 4.498 3.680 1.00 1.59 H new ATOM 0 HB2 ALA A 33 -3.717 4.886 2.622 1.00 1.59 H new ATOM 0 HB3 ALA A 33 -3.783 5.294 4.353 1.00 1.59 H new ATOM 449 N THR A 34 -4.146 1.328 5.480 1.00 0.98 N ATOM 450 CA THR A 34 -4.327 0.789 6.825 1.00 0.96 C ATOM 451 C THR A 34 -3.139 -0.070 7.210 1.00 0.96 C ATOM 452 O THR A 34 -2.859 -1.040 6.515 1.00 1.14 O ATOM 453 CB THR A 34 -5.631 -0.004 6.956 1.00 1.10 C ATOM 454 OG1 THR A 34 -6.621 0.492 6.071 1.00 1.46 O ATOM 455 CG2 THR A 34 -6.166 0.096 8.388 1.00 1.47 C ATOM 0 H THR A 34 -4.446 0.698 4.736 1.00 0.98 H new ATOM 0 HA THR A 34 -4.394 1.633 7.511 1.00 0.96 H new ATOM 0 HB THR A 34 -5.412 -1.042 6.706 1.00 1.10 H new ATOM 0 HG1 THR A 34 -7.443 -0.032 6.173 1.00 1.46 H new ATOM 0 HG21 THR A 34 -7.093 -0.471 8.470 1.00 1.47 H new ATOM 0 HG22 THR A 34 -5.429 -0.310 9.081 1.00 1.47 H new ATOM 0 HG23 THR A 34 -6.357 1.141 8.633 1.00 1.47 H new ATOM 463 N VAL A 35 -2.454 0.244 8.302 1.00 0.82 N ATOM 464 CA VAL A 35 -1.349 -0.572 8.837 1.00 0.81 C ATOM 465 C VAL A 35 -1.886 -1.610 9.830 1.00 0.87 C ATOM 466 O VAL A 35 -2.813 -1.325 10.584 1.00 0.91 O ATOM 467 CB VAL A 35 -0.268 0.271 9.561 1.00 0.81 C ATOM 468 CG1 VAL A 35 1.094 -0.444 9.514 1.00 0.77 C ATOM 469 CG2 VAL A 35 -0.073 1.672 8.952 1.00 1.04 C ATOM 0 H VAL A 35 -2.645 1.080 8.854 1.00 0.82 H new ATOM 0 HA VAL A 35 -0.888 -1.054 7.975 1.00 0.81 H new ATOM 0 HB VAL A 35 -0.628 0.384 10.584 1.00 0.81 H new ATOM 0 HG11 VAL A 35 1.841 0.162 10.027 1.00 0.77 H new ATOM 0 HG12 VAL A 35 1.013 -1.413 10.006 1.00 0.77 H new ATOM 0 HG13 VAL A 35 1.394 -0.588 8.476 1.00 0.77 H new ATOM 0 HG21 VAL A 35 0.698 2.206 9.508 1.00 1.04 H new ATOM 0 HG22 VAL A 35 0.231 1.577 7.910 1.00 1.04 H new ATOM 0 HG23 VAL A 35 -1.010 2.226 9.007 1.00 1.04 H new ATOM 479 N ALA A 36 -1.251 -2.777 9.917 1.00 0.95 N ATOM 480 CA ALA A 36 -1.382 -3.641 11.085 1.00 1.17 C ATOM 481 C ALA A 36 -0.557 -3.080 12.256 1.00 1.16 C ATOM 482 O ALA A 36 0.669 -2.964 12.175 1.00 1.63 O ATOM 483 CB ALA A 36 -0.944 -5.062 10.717 1.00 1.41 C ATOM 0 H ALA A 36 -0.639 -3.146 9.189 1.00 0.95 H new ATOM 0 HA ALA A 36 -2.424 -3.674 11.404 1.00 1.17 H new ATOM 0 HB1 ALA A 36 -1.041 -5.710 11.588 1.00 1.41 H new ATOM 0 HB2 ALA A 36 -1.574 -5.440 9.912 1.00 1.41 H new ATOM 0 HB3 ALA A 36 0.095 -5.049 10.389 1.00 1.41 H new ATOM 489 N ALA A 37 -1.223 -2.772 13.377 1.00 1.12 N ATOM 490 CA ALA A 37 -0.541 -2.715 14.677 1.00 1.07 C ATOM 491 C ALA A 37 0.128 -4.059 15.018 1.00 0.96 C ATOM 492 O ALA A 37 -0.355 -5.122 14.622 1.00 1.00 O ATOM 493 CB ALA A 37 -1.489 -2.268 15.800 1.00 1.42 C ATOM 0 H ALA A 37 -2.220 -2.561 13.411 1.00 1.12 H new ATOM 0 HA ALA A 37 0.243 -1.962 14.595 1.00 1.07 H new ATOM 0 HB1 ALA A 37 -0.946 -2.239 16.745 1.00 1.42 H new ATOM 0 HB2 ALA A 37 -1.878 -1.275 15.574 1.00 1.42 H new ATOM 0 HB3 ALA A 37 -2.317 -2.972 15.879 1.00 1.42 H new ATOM 499 N VAL A 38 1.225 -3.984 15.766 1.00 1.01 N ATOM 500 CA VAL A 38 2.121 -5.104 16.091 1.00 1.01 C ATOM 501 C VAL A 38 2.981 -4.643 17.286 1.00 1.17 C ATOM 502 O VAL A 38 3.290 -3.449 17.352 1.00 1.33 O ATOM 503 CB VAL A 38 2.935 -5.533 14.833 1.00 1.12 C ATOM 504 CG1 VAL A 38 3.915 -4.450 14.349 1.00 1.88 C ATOM 505 CG2 VAL A 38 3.693 -6.851 15.030 1.00 2.47 C ATOM 0 H VAL A 38 1.532 -3.105 16.183 1.00 1.01 H new ATOM 0 HA VAL A 38 1.581 -6.005 16.382 1.00 1.01 H new ATOM 0 HB VAL A 38 2.179 -5.681 14.062 1.00 1.12 H new ATOM 0 HG11 VAL A 38 4.451 -4.810 13.471 1.00 1.88 H new ATOM 0 HG12 VAL A 38 3.361 -3.547 14.091 1.00 1.88 H new ATOM 0 HG13 VAL A 38 4.628 -4.224 15.142 1.00 1.88 H new ATOM 0 HG21 VAL A 38 4.240 -7.096 14.120 1.00 2.47 H new ATOM 0 HG22 VAL A 38 4.394 -6.747 15.858 1.00 2.47 H new ATOM 0 HG23 VAL A 38 2.984 -7.649 15.253 1.00 2.47 H new ATOM 515 N PRO A 39 3.314 -5.510 18.268 1.00 1.25 N ATOM 516 CA PRO A 39 3.944 -5.078 19.517 1.00 1.41 C ATOM 517 C PRO A 39 5.409 -4.637 19.335 1.00 1.45 C ATOM 518 O PRO A 39 6.081 -5.115 18.417 1.00 1.43 O ATOM 519 CB PRO A 39 3.826 -6.264 20.485 1.00 1.53 C ATOM 520 CG PRO A 39 3.719 -7.468 19.555 1.00 1.46 C ATOM 521 CD PRO A 39 2.920 -6.907 18.382 1.00 1.27 C ATOM 0 HA PRO A 39 3.441 -4.192 19.904 1.00 1.41 H new ATOM 0 HB2 PRO A 39 4.695 -6.337 21.139 1.00 1.53 H new ATOM 0 HB3 PRO A 39 2.950 -6.173 21.127 1.00 1.53 H new ATOM 0 HG2 PRO A 39 4.699 -7.829 19.243 1.00 1.46 H new ATOM 0 HG3 PRO A 39 3.208 -8.305 20.031 1.00 1.46 H new ATOM 0 HD2 PRO A 39 3.139 -7.452 17.463 1.00 1.27 H new ATOM 0 HD3 PRO A 39 1.848 -6.998 18.559 1.00 1.27 H new ATOM 529 N PRO A 40 5.919 -3.750 20.216 1.00 1.63 N ATOM 530 CA PRO A 40 7.294 -3.266 20.166 1.00 1.77 C ATOM 531 C PRO A 40 8.273 -4.411 20.428 1.00 1.77 C ATOM 532 O PRO A 40 8.040 -5.245 21.295 1.00 2.63 O ATOM 533 CB PRO A 40 7.390 -2.156 21.221 1.00 2.05 C ATOM 534 CG PRO A 40 6.316 -2.546 22.236 1.00 2.10 C ATOM 535 CD PRO A 40 5.228 -3.169 21.361 1.00 1.85 C ATOM 0 HA PRO A 40 7.558 -2.873 19.184 1.00 1.77 H new ATOM 0 HB2 PRO A 40 8.380 -2.118 21.676 1.00 2.05 H new ATOM 0 HB3 PRO A 40 7.199 -1.173 20.790 1.00 2.05 H new ATOM 0 HG2 PRO A 40 6.695 -3.253 22.974 1.00 2.10 H new ATOM 0 HG3 PRO A 40 5.946 -1.680 22.785 1.00 2.10 H new ATOM 0 HD2 PRO A 40 4.674 -3.930 21.910 1.00 1.85 H new ATOM 0 HD3 PRO A 40 4.506 -2.418 21.041 1.00 1.85 H new ATOM 543 N SER A 41 9.349 -4.427 19.637 1.00 2.08 N ATOM 544 CA SER A 41 10.372 -5.477 19.419 1.00 2.19 C ATOM 545 C SER A 41 10.323 -5.908 17.949 1.00 2.04 C ATOM 546 O SER A 41 11.356 -6.131 17.327 1.00 2.40 O ATOM 547 CB SER A 41 10.247 -6.713 20.333 1.00 2.41 C ATOM 548 OG SER A 41 11.268 -7.674 20.093 1.00 2.83 O ATOM 0 H SER A 41 9.557 -3.611 19.061 1.00 2.08 H new ATOM 0 HA SER A 41 11.331 -5.030 19.681 1.00 2.19 H new ATOM 0 HB2 SER A 41 10.289 -6.396 21.375 1.00 2.41 H new ATOM 0 HB3 SER A 41 9.273 -7.177 20.180 1.00 2.41 H new ATOM 0 HG SER A 41 11.148 -8.437 20.696 1.00 2.83 H new ATOM 554 N ILE A 42 9.124 -5.926 17.362 1.00 1.67 N ATOM 555 CA ILE A 42 8.920 -6.063 15.917 1.00 1.55 C ATOM 556 C ILE A 42 9.009 -4.676 15.265 1.00 1.40 C ATOM 557 O ILE A 42 8.370 -3.726 15.721 1.00 1.57 O ATOM 558 CB ILE A 42 7.572 -6.767 15.620 1.00 1.56 C ATOM 559 CG1 ILE A 42 7.383 -8.103 16.383 1.00 1.97 C ATOM 560 CG2 ILE A 42 7.419 -6.995 14.105 1.00 1.62 C ATOM 561 CD1 ILE A 42 8.476 -9.159 16.156 1.00 2.57 C ATOM 0 H ILE A 42 8.253 -5.844 17.886 1.00 1.67 H new ATOM 0 HA ILE A 42 9.700 -6.692 15.489 1.00 1.55 H new ATOM 0 HB ILE A 42 6.791 -6.098 15.981 1.00 1.56 H new ATOM 0 HG12 ILE A 42 7.328 -7.887 17.450 1.00 1.97 H new ATOM 0 HG13 ILE A 42 6.423 -8.532 16.095 1.00 1.97 H new ATOM 0 HG21 ILE A 42 6.469 -7.490 13.906 1.00 1.62 H new ATOM 0 HG22 ILE A 42 7.443 -6.036 13.588 1.00 1.62 H new ATOM 0 HG23 ILE A 42 8.236 -7.621 13.747 1.00 1.62 H new ATOM 0 HD11 ILE A 42 8.245 -10.052 16.736 1.00 2.57 H new ATOM 0 HD12 ILE A 42 8.520 -9.415 15.097 1.00 2.57 H new ATOM 0 HD13 ILE A 42 9.439 -8.760 16.473 1.00 2.57 H new ATOM 573 N ARG A 43 9.817 -4.560 14.205 1.00 1.37 N ATOM 574 CA ARG A 43 10.082 -3.327 13.438 1.00 1.38 C ATOM 575 C ARG A 43 9.857 -3.533 11.927 1.00 1.30 C ATOM 576 O ARG A 43 10.466 -2.861 11.105 1.00 1.38 O ATOM 577 CB ARG A 43 11.476 -2.782 13.816 1.00 1.71 C ATOM 578 CG ARG A 43 12.683 -3.713 13.577 1.00 2.19 C ATOM 579 CD ARG A 43 13.376 -3.536 12.217 1.00 3.39 C ATOM 580 NE ARG A 43 13.419 -4.793 11.458 1.00 4.58 N ATOM 581 CZ ARG A 43 14.214 -5.833 11.671 1.00 5.14 C ATOM 582 NH1 ARG A 43 15.203 -5.831 12.539 1.00 4.84 N ATOM 583 NH2 ARG A 43 13.961 -6.947 11.038 1.00 6.43 N ATOM 0 H ARG A 43 10.331 -5.360 13.837 1.00 1.37 H new ATOM 0 HA ARG A 43 9.360 -2.557 13.708 1.00 1.38 H new ATOM 0 HB2 ARG A 43 11.643 -1.862 13.256 1.00 1.71 H new ATOM 0 HB3 ARG A 43 11.459 -2.514 14.872 1.00 1.71 H new ATOM 0 HG2 ARG A 43 13.415 -3.545 14.366 1.00 2.19 H new ATOM 0 HG3 ARG A 43 12.350 -4.747 13.667 1.00 2.19 H new ATOM 0 HD2 ARG A 43 12.849 -2.779 11.636 1.00 3.39 H new ATOM 0 HD3 ARG A 43 14.391 -3.170 12.371 1.00 3.39 H new ATOM 0 HE ARG A 43 12.764 -4.875 10.680 1.00 4.58 H new ATOM 0 HH11 ARG A 43 15.393 -4.996 13.094 1.00 4.84 H new ATOM 0 HH12 ARG A 43 15.780 -6.664 12.657 1.00 4.84 H new ATOM 0 HH21 ARG A 43 13.168 -7.001 10.399 1.00 6.43 H new ATOM 0 HH22 ARG A 43 14.556 -7.763 11.183 1.00 6.43 H new ATOM 597 N ASP A 44 8.989 -4.480 11.578 1.00 1.21 N ATOM 598 CA ASP A 44 8.518 -4.777 10.217 1.00 1.24 C ATOM 599 C ASP A 44 6.995 -5.020 10.265 1.00 1.00 C ATOM 600 O ASP A 44 6.532 -5.729 11.162 1.00 1.03 O ATOM 601 CB ASP A 44 9.224 -6.027 9.656 1.00 1.55 C ATOM 602 CG ASP A 44 10.728 -6.068 9.941 1.00 1.60 C ATOM 603 OD1 ASP A 44 11.464 -5.190 9.443 1.00 2.67 O ATOM 604 OD2 ASP A 44 11.179 -6.945 10.717 1.00 1.80 O ATOM 0 H ASP A 44 8.569 -5.098 12.272 1.00 1.21 H new ATOM 0 HA ASP A 44 8.747 -3.934 9.565 1.00 1.24 H new ATOM 0 HB2 ASP A 44 8.759 -6.917 10.081 1.00 1.55 H new ATOM 0 HB3 ASP A 44 9.067 -6.069 8.578 1.00 1.55 H new ATOM 609 N THR A 45 6.196 -4.467 9.339 1.00 0.88 N ATOM 610 CA THR A 45 4.724 -4.615 9.405 1.00 0.73 C ATOM 611 C THR A 45 4.006 -4.602 8.054 1.00 0.79 C ATOM 612 O THR A 45 4.552 -4.197 7.028 1.00 1.11 O ATOM 613 CB THR A 45 4.118 -3.637 10.430 1.00 0.85 C ATOM 614 OG1 THR A 45 2.807 -4.061 10.723 1.00 2.36 O ATOM 615 CG2 THR A 45 4.087 -2.189 9.944 1.00 1.64 C ATOM 0 H THR A 45 6.532 -3.921 8.546 1.00 0.88 H new ATOM 0 HA THR A 45 4.545 -5.629 9.763 1.00 0.73 H new ATOM 0 HB THR A 45 4.754 -3.651 11.315 1.00 0.85 H new ATOM 0 HG1 THR A 45 2.354 -3.377 11.259 1.00 2.36 H new ATOM 0 HG21 THR A 45 3.648 -1.556 10.715 1.00 1.64 H new ATOM 0 HG22 THR A 45 5.103 -1.854 9.734 1.00 1.64 H new ATOM 0 HG23 THR A 45 3.488 -2.123 9.036 1.00 1.64 H new ATOM 623 N ALA A 46 2.769 -5.094 8.073 1.00 0.97 N ATOM 624 CA ALA A 46 1.855 -5.264 6.950 1.00 1.38 C ATOM 625 C ALA A 46 1.017 -3.999 6.714 1.00 1.00 C ATOM 626 O ALA A 46 0.437 -3.468 7.663 1.00 0.97 O ATOM 627 CB ALA A 46 0.959 -6.463 7.290 1.00 2.10 C ATOM 0 H ALA A 46 2.348 -5.409 8.947 1.00 0.97 H new ATOM 0 HA ALA A 46 2.408 -5.439 6.027 1.00 1.38 H new ATOM 0 HB1 ALA A 46 0.254 -6.632 6.476 1.00 2.10 H new ATOM 0 HB2 ALA A 46 1.576 -7.351 7.426 1.00 2.10 H new ATOM 0 HB3 ALA A 46 0.410 -6.258 8.209 1.00 2.10 H new ATOM 633 N ALA A 47 0.926 -3.552 5.460 1.00 0.94 N ATOM 634 CA ALA A 47 0.142 -2.381 5.071 1.00 0.73 C ATOM 635 C ALA A 47 -0.849 -2.717 3.941 1.00 0.85 C ATOM 636 O ALA A 47 -0.500 -3.153 2.843 1.00 1.07 O ATOM 637 CB ALA A 47 1.093 -1.227 4.737 1.00 0.86 C ATOM 0 H ALA A 47 1.402 -4.000 4.677 1.00 0.94 H new ATOM 0 HA ALA A 47 -0.482 -2.058 5.904 1.00 0.73 H new ATOM 0 HB1 ALA A 47 0.514 -0.351 4.446 1.00 0.86 H new ATOM 0 HB2 ALA A 47 1.697 -0.988 5.612 1.00 0.86 H new ATOM 0 HB3 ALA A 47 1.746 -1.520 3.915 1.00 0.86 H new ATOM 643 N TYR A 48 -2.129 -2.505 4.228 1.00 0.95 N ATOM 644 CA TYR A 48 -3.253 -2.974 3.432 1.00 1.07 C ATOM 645 C TYR A 48 -3.828 -1.860 2.555 1.00 0.86 C ATOM 646 O TYR A 48 -4.187 -0.773 3.029 1.00 1.01 O ATOM 647 CB TYR A 48 -4.324 -3.547 4.371 1.00 1.58 C ATOM 648 CG TYR A 48 -3.870 -4.803 5.094 1.00 1.40 C ATOM 649 CD1 TYR A 48 -3.032 -4.711 6.225 1.00 2.36 C ATOM 650 CD2 TYR A 48 -4.242 -6.068 4.599 1.00 2.26 C ATOM 651 CE1 TYR A 48 -2.537 -5.875 6.838 1.00 2.78 C ATOM 652 CE2 TYR A 48 -3.759 -7.235 5.216 1.00 2.86 C ATOM 653 CZ TYR A 48 -2.887 -7.142 6.327 1.00 2.69 C ATOM 654 OH TYR A 48 -2.394 -8.275 6.898 1.00 3.61 O ATOM 0 H TYR A 48 -2.421 -1.982 5.053 1.00 0.95 H new ATOM 0 HA TYR A 48 -2.906 -3.756 2.756 1.00 1.07 H new ATOM 0 HB2 TYR A 48 -4.597 -2.790 5.106 1.00 1.58 H new ATOM 0 HB3 TYR A 48 -5.222 -3.771 3.795 1.00 1.58 H new ATOM 0 HD1 TYR A 48 -2.769 -3.741 6.622 1.00 2.36 H new ATOM 0 HD2 TYR A 48 -4.899 -6.141 3.745 1.00 2.26 H new ATOM 0 HE1 TYR A 48 -1.890 -5.799 7.699 1.00 2.78 H new ATOM 0 HE2 TYR A 48 -4.054 -8.204 4.842 1.00 2.86 H new ATOM 0 HH TYR A 48 -2.238 -8.119 7.853 1.00 3.61 H new ATOM 664 N MET A 49 -3.972 -2.160 1.260 1.00 0.90 N ATOM 665 CA MET A 49 -4.635 -1.290 0.293 1.00 1.18 C ATOM 666 C MET A 49 -5.435 -2.143 -0.702 1.00 1.17 C ATOM 667 O MET A 49 -4.863 -2.901 -1.483 1.00 1.27 O ATOM 668 CB MET A 49 -3.616 -0.393 -0.436 1.00 1.63 C ATOM 669 CG MET A 49 -2.722 0.464 0.466 1.00 2.37 C ATOM 670 SD MET A 49 -1.479 1.421 -0.436 1.00 3.75 S ATOM 671 CE MET A 49 -2.535 2.627 -1.281 1.00 4.73 C ATOM 0 H MET A 49 -3.625 -3.028 0.852 1.00 0.90 H new ATOM 0 HA MET A 49 -5.323 -0.631 0.824 1.00 1.18 H new ATOM 0 HB2 MET A 49 -2.978 -1.026 -1.053 1.00 1.63 H new ATOM 0 HB3 MET A 49 -4.159 0.268 -1.112 1.00 1.63 H new ATOM 0 HG2 MET A 49 -3.348 1.148 1.039 1.00 2.37 H new ATOM 0 HG3 MET A 49 -2.218 -0.184 1.184 1.00 2.37 H new ATOM 0 HE1 MET A 49 -1.912 3.369 -1.781 1.00 4.73 H new ATOM 0 HE2 MET A 49 -3.153 2.115 -2.019 1.00 4.73 H new ATOM 0 HE3 MET A 49 -3.176 3.123 -0.552 1.00 4.73 H new ATOM 681 N THR A 50 -6.760 -2.006 -0.670 1.00 1.45 N ATOM 682 CA THR A 50 -7.656 -2.496 -1.720 1.00 1.54 C ATOM 683 C THR A 50 -8.394 -1.311 -2.316 1.00 1.66 C ATOM 684 O THR A 50 -8.630 -0.315 -1.624 1.00 1.85 O ATOM 685 CB THR A 50 -8.589 -3.592 -1.191 1.00 1.89 C ATOM 686 OG1 THR A 50 -9.040 -4.311 -2.303 1.00 2.56 O ATOM 687 CG2 THR A 50 -9.803 -3.097 -0.409 1.00 2.30 C ATOM 0 H THR A 50 -7.250 -1.545 0.097 1.00 1.45 H new ATOM 0 HA THR A 50 -7.082 -2.972 -2.515 1.00 1.54 H new ATOM 0 HB THR A 50 -8.013 -4.186 -0.481 1.00 1.89 H new ATOM 0 HG1 THR A 50 -9.641 -5.026 -2.008 1.00 2.56 H new ATOM 0 HG21 THR A 50 -10.396 -3.950 -0.080 1.00 2.30 H new ATOM 0 HG22 THR A 50 -9.469 -2.530 0.460 1.00 2.30 H new ATOM 0 HG23 THR A 50 -10.411 -2.457 -1.048 1.00 2.30 H new ATOM 695 N LEU A 51 -8.722 -1.400 -3.598 1.00 1.82 N ATOM 696 CA LEU A 51 -9.512 -0.410 -4.323 1.00 1.98 C ATOM 697 C LEU A 51 -10.835 -1.051 -4.775 1.00 2.13 C ATOM 698 O LEU A 51 -10.995 -2.275 -4.718 1.00 2.91 O ATOM 699 CB LEU A 51 -8.689 0.098 -5.532 1.00 2.30 C ATOM 700 CG LEU A 51 -7.526 1.086 -5.295 1.00 3.08 C ATOM 701 CD1 LEU A 51 -7.970 2.301 -4.477 1.00 3.59 C ATOM 702 CD2 LEU A 51 -6.264 0.463 -4.681 1.00 4.87 C ATOM 0 H LEU A 51 -8.438 -2.187 -4.181 1.00 1.82 H new ATOM 0 HA LEU A 51 -9.748 0.440 -3.683 1.00 1.98 H new ATOM 0 HB2 LEU A 51 -8.278 -0.775 -6.039 1.00 2.30 H new ATOM 0 HB3 LEU A 51 -9.384 0.571 -6.226 1.00 2.30 H new ATOM 0 HG LEU A 51 -7.242 1.409 -6.297 1.00 3.08 H new ATOM 0 HD11 LEU A 51 -7.123 2.972 -4.332 1.00 3.59 H new ATOM 0 HD12 LEU A 51 -8.763 2.827 -5.008 1.00 3.59 H new ATOM 0 HD13 LEU A 51 -8.341 1.971 -3.507 1.00 3.59 H new ATOM 0 HD21 LEU A 51 -5.504 1.233 -4.552 1.00 4.87 H new ATOM 0 HD22 LEU A 51 -6.508 0.028 -3.712 1.00 4.87 H new ATOM 0 HD23 LEU A 51 -5.884 -0.315 -5.343 1.00 4.87 H new ATOM 714 N THR A 52 -11.756 -0.251 -5.320 1.00 1.82 N ATOM 715 CA THR A 52 -12.947 -0.742 -6.020 1.00 2.04 C ATOM 716 C THR A 52 -13.356 0.248 -7.113 1.00 2.06 C ATOM 717 O THR A 52 -13.019 1.423 -7.022 1.00 2.20 O ATOM 718 CB THR A 52 -14.063 -1.038 -5.001 1.00 2.35 C ATOM 719 OG1 THR A 52 -14.902 -2.028 -5.549 1.00 2.78 O ATOM 720 CG2 THR A 52 -14.920 0.178 -4.641 1.00 2.51 C ATOM 0 H THR A 52 -11.695 0.767 -5.287 1.00 1.82 H new ATOM 0 HA THR A 52 -12.733 -1.683 -6.527 1.00 2.04 H new ATOM 0 HB THR A 52 -13.576 -1.359 -4.080 1.00 2.35 H new ATOM 0 HG1 THR A 52 -15.621 -2.235 -4.916 1.00 2.78 H new ATOM 0 HG21 THR A 52 -15.682 -0.115 -3.919 1.00 2.51 H new ATOM 0 HG22 THR A 52 -14.288 0.953 -4.208 1.00 2.51 H new ATOM 0 HG23 THR A 52 -15.401 0.563 -5.540 1.00 2.51 H new ATOM 728 N ASN A 53 -14.091 -0.217 -8.122 1.00 2.30 N ATOM 729 CA ASN A 53 -14.640 0.631 -9.189 1.00 2.31 C ATOM 730 C ASN A 53 -15.880 0.062 -9.893 1.00 2.66 C ATOM 731 O ASN A 53 -15.978 -1.109 -10.247 1.00 2.91 O ATOM 732 CB ASN A 53 -13.581 1.095 -10.213 1.00 1.87 C ATOM 733 CG ASN A 53 -12.703 0.028 -10.876 1.00 2.77 C ATOM 734 OD1 ASN A 53 -12.576 -1.113 -10.454 1.00 4.26 O ATOM 735 ND2 ASN A 53 -12.003 0.416 -11.933 1.00 2.56 N ATOM 0 H ASN A 53 -14.327 -1.204 -8.226 1.00 2.30 H new ATOM 0 HA ASN A 53 -14.983 1.514 -8.650 1.00 2.31 H new ATOM 0 HB2 ASN A 53 -14.097 1.640 -11.003 1.00 1.87 H new ATOM 0 HB3 ASN A 53 -12.923 1.805 -9.713 1.00 1.87 H new ATOM 0 HD21 ASN A 53 -11.364 -0.235 -12.389 1.00 2.56 H new ATOM 0 HD22 ASN A 53 -12.104 1.366 -12.291 1.00 2.56 H new ATOM 742 N LYS A 54 -16.832 0.966 -10.159 1.00 2.81 N ATOM 743 CA LYS A 54 -18.046 0.721 -10.958 1.00 3.22 C ATOM 744 C LYS A 54 -18.413 1.975 -11.792 1.00 2.72 C ATOM 745 O LYS A 54 -19.582 2.286 -12.009 1.00 3.22 O ATOM 746 CB LYS A 54 -19.162 0.241 -9.995 1.00 4.15 C ATOM 747 CG LYS A 54 -20.130 -0.777 -10.627 1.00 5.08 C ATOM 748 CD LYS A 54 -21.023 -1.423 -9.552 1.00 5.87 C ATOM 749 CE LYS A 54 -21.793 -2.634 -10.104 1.00 7.01 C ATOM 750 NZ LYS A 54 -22.436 -3.418 -9.017 1.00 7.50 N ATOM 0 H LYS A 54 -16.779 1.924 -9.812 1.00 2.81 H new ATOM 0 HA LYS A 54 -17.889 -0.065 -11.697 1.00 3.22 H new ATOM 0 HB2 LYS A 54 -18.702 -0.207 -9.114 1.00 4.15 H new ATOM 0 HB3 LYS A 54 -19.731 1.106 -9.653 1.00 4.15 H new ATOM 0 HG2 LYS A 54 -20.752 -0.280 -11.372 1.00 5.08 H new ATOM 0 HG3 LYS A 54 -19.564 -1.549 -11.148 1.00 5.08 H new ATOM 0 HD2 LYS A 54 -20.408 -1.737 -8.709 1.00 5.87 H new ATOM 0 HD3 LYS A 54 -21.730 -0.684 -9.174 1.00 5.87 H new ATOM 0 HE2 LYS A 54 -22.554 -2.292 -10.806 1.00 7.01 H new ATOM 0 HE3 LYS A 54 -21.111 -3.276 -10.661 1.00 7.01 H new ATOM 0 HZ1 LYS A 54 -22.946 -4.226 -9.427 1.00 7.50 H new ATOM 0 HZ2 LYS A 54 -21.707 -3.765 -8.361 1.00 7.50 H new ATOM 0 HZ3 LYS A 54 -23.106 -2.812 -8.501 1.00 7.50 H new ATOM 764 N SER A 55 -17.405 2.753 -12.202 1.00 1.88 N ATOM 765 CA SER A 55 -17.547 4.082 -12.806 1.00 1.53 C ATOM 766 C SER A 55 -16.224 4.499 -13.481 1.00 1.48 C ATOM 767 O SER A 55 -15.148 4.092 -13.046 1.00 2.14 O ATOM 768 CB SER A 55 -17.959 5.093 -11.715 1.00 2.04 C ATOM 769 OG SER A 55 -18.226 6.381 -12.223 1.00 2.25 O ATOM 0 H SER A 55 -16.431 2.463 -12.119 1.00 1.88 H new ATOM 0 HA SER A 55 -18.321 4.060 -13.573 1.00 1.53 H new ATOM 0 HB2 SER A 55 -18.845 4.722 -11.201 1.00 2.04 H new ATOM 0 HB3 SER A 55 -17.164 5.160 -10.972 1.00 2.04 H new ATOM 0 HG SER A 55 -18.851 6.844 -11.628 1.00 2.25 H new ATOM 775 N ASP A 56 -16.312 5.279 -14.557 1.00 1.49 N ATOM 776 CA ASP A 56 -15.249 5.626 -15.501 1.00 1.80 C ATOM 777 C ASP A 56 -14.266 6.684 -14.971 1.00 1.95 C ATOM 778 O ASP A 56 -13.980 7.671 -15.650 1.00 2.45 O ATOM 779 CB ASP A 56 -15.914 6.072 -16.819 1.00 2.26 C ATOM 780 CG ASP A 56 -16.909 5.046 -17.364 1.00 2.57 C ATOM 781 OD1 ASP A 56 -18.050 5.039 -16.846 1.00 3.63 O ATOM 782 OD2 ASP A 56 -16.543 4.303 -18.302 1.00 3.24 O ATOM 0 H ASP A 56 -17.196 5.719 -14.812 1.00 1.49 H new ATOM 0 HA ASP A 56 -14.630 4.743 -15.662 1.00 1.80 H new ATOM 0 HB2 ASP A 56 -16.429 7.019 -16.657 1.00 2.26 H new ATOM 0 HB3 ASP A 56 -15.141 6.253 -17.566 1.00 2.26 H new ATOM 787 N GLN A 57 -13.753 6.509 -13.749 1.00 1.76 N ATOM 788 CA GLN A 57 -12.856 7.469 -13.096 1.00 2.09 C ATOM 789 C GLN A 57 -11.715 6.727 -12.358 1.00 2.29 C ATOM 790 O GLN A 57 -11.998 6.010 -11.396 1.00 2.37 O ATOM 791 CB GLN A 57 -13.678 8.434 -12.206 1.00 2.33 C ATOM 792 CG GLN A 57 -14.573 7.802 -11.121 1.00 2.49 C ATOM 793 CD GLN A 57 -15.604 8.795 -10.574 1.00 3.42 C ATOM 794 OE1 GLN A 57 -15.291 9.870 -10.083 1.00 4.20 O ATOM 795 NE2 GLN A 57 -16.887 8.493 -10.649 1.00 4.04 N ATOM 0 H GLN A 57 -13.951 5.687 -13.178 1.00 1.76 H new ATOM 0 HA GLN A 57 -12.360 8.094 -13.838 1.00 2.09 H new ATOM 0 HB2 GLN A 57 -12.983 9.116 -11.716 1.00 2.33 H new ATOM 0 HB3 GLN A 57 -14.311 9.037 -12.857 1.00 2.33 H new ATOM 0 HG2 GLN A 57 -15.089 6.936 -11.536 1.00 2.49 H new ATOM 0 HG3 GLN A 57 -13.950 7.440 -10.303 1.00 2.49 H new ATOM 0 HE21 GLN A 57 -17.179 7.603 -11.054 1.00 4.04 H new ATOM 0 HE22 GLN A 57 -17.587 9.149 -10.302 1.00 4.04 H new ATOM 804 N PRO A 58 -10.447 6.844 -12.816 1.00 2.59 N ATOM 805 CA PRO A 58 -9.312 6.167 -12.198 1.00 2.84 C ATOM 806 C PRO A 58 -8.669 7.031 -11.110 1.00 3.23 C ATOM 807 O PRO A 58 -8.831 8.249 -11.072 1.00 3.91 O ATOM 808 CB PRO A 58 -8.325 5.929 -13.339 1.00 3.12 C ATOM 809 CG PRO A 58 -8.495 7.199 -14.173 1.00 3.40 C ATOM 810 CD PRO A 58 -10.000 7.479 -14.057 1.00 2.89 C ATOM 0 HA PRO A 58 -9.618 5.241 -11.710 1.00 2.84 H new ATOM 0 HB2 PRO A 58 -7.303 5.811 -12.978 1.00 3.12 H new ATOM 0 HB3 PRO A 58 -8.567 5.031 -13.908 1.00 3.12 H new ATOM 0 HG2 PRO A 58 -7.898 8.023 -13.782 1.00 3.40 H new ATOM 0 HG3 PRO A 58 -8.190 7.048 -15.208 1.00 3.40 H new ATOM 0 HD2 PRO A 58 -10.194 8.551 -14.036 1.00 2.89 H new ATOM 0 HD3 PRO A 58 -10.537 7.074 -14.915 1.00 2.89 H new ATOM 818 N ILE A 59 -7.864 6.394 -10.255 1.00 2.93 N ATOM 819 CA ILE A 59 -7.075 7.053 -9.195 1.00 3.26 C ATOM 820 C ILE A 59 -5.593 6.707 -9.411 1.00 3.08 C ATOM 821 O ILE A 59 -4.958 5.997 -8.631 1.00 3.95 O ATOM 822 CB ILE A 59 -7.659 6.732 -7.788 1.00 3.54 C ATOM 823 CG1 ILE A 59 -9.129 7.204 -7.634 1.00 3.94 C ATOM 824 CG2 ILE A 59 -6.830 7.324 -6.629 1.00 3.96 C ATOM 825 CD1 ILE A 59 -9.357 8.722 -7.599 1.00 4.14 C ATOM 0 H ILE A 59 -7.736 5.382 -10.276 1.00 2.93 H new ATOM 0 HA ILE A 59 -7.143 8.139 -9.251 1.00 3.26 H new ATOM 0 HB ILE A 59 -7.616 5.645 -7.723 1.00 3.54 H new ATOM 0 HG12 ILE A 59 -9.709 6.790 -8.459 1.00 3.94 H new ATOM 0 HG13 ILE A 59 -9.531 6.777 -6.715 1.00 3.94 H new ATOM 0 HG21 ILE A 59 -7.294 7.062 -5.678 1.00 3.96 H new ATOM 0 HG22 ILE A 59 -5.818 6.920 -6.662 1.00 3.96 H new ATOM 0 HG23 ILE A 59 -6.791 8.409 -6.727 1.00 3.96 H new ATOM 0 HD11 ILE A 59 -10.422 8.928 -7.489 1.00 4.14 H new ATOM 0 HD12 ILE A 59 -8.815 9.152 -6.757 1.00 4.14 H new ATOM 0 HD13 ILE A 59 -8.996 9.166 -8.527 1.00 4.14 H new ATOM 837 N LYS A 60 -5.053 7.152 -10.552 1.00 2.23 N ATOM 838 CA LYS A 60 -3.755 6.686 -11.043 1.00 2.09 C ATOM 839 C LYS A 60 -2.562 7.118 -10.164 1.00 1.73 C ATOM 840 O LYS A 60 -2.201 8.296 -10.126 1.00 1.77 O ATOM 841 CB LYS A 60 -3.579 7.040 -12.531 1.00 2.60 C ATOM 842 CG LYS A 60 -3.720 8.533 -12.898 1.00 3.31 C ATOM 843 CD LYS A 60 -2.548 8.991 -13.782 1.00 3.97 C ATOM 844 CE LYS A 60 -2.732 10.419 -14.297 1.00 4.83 C ATOM 845 NZ LYS A 60 -3.786 10.499 -15.333 1.00 5.12 N ATOM 0 H LYS A 60 -5.502 7.841 -11.156 1.00 2.23 H new ATOM 0 HA LYS A 60 -3.756 5.599 -10.962 1.00 2.09 H new ATOM 0 HB2 LYS A 60 -2.593 6.701 -12.850 1.00 2.60 H new ATOM 0 HB3 LYS A 60 -4.312 6.475 -13.107 1.00 2.60 H new ATOM 0 HG2 LYS A 60 -4.662 8.696 -13.422 1.00 3.31 H new ATOM 0 HG3 LYS A 60 -3.753 9.134 -11.989 1.00 3.31 H new ATOM 0 HD2 LYS A 60 -1.621 8.929 -13.212 1.00 3.97 H new ATOM 0 HD3 LYS A 60 -2.448 8.312 -14.629 1.00 3.97 H new ATOM 0 HE2 LYS A 60 -2.990 11.075 -13.465 1.00 4.83 H new ATOM 0 HE3 LYS A 60 -1.790 10.781 -14.709 1.00 4.83 H new ATOM 0 HZ1 LYS A 60 -3.811 11.460 -15.729 1.00 5.12 H new ATOM 0 HZ2 LYS A 60 -3.580 9.817 -16.091 1.00 5.12 H new ATOM 0 HZ3 LYS A 60 -4.708 10.276 -14.908 1.00 5.12 H new ATOM 859 N LEU A 61 -1.904 6.141 -9.525 1.00 1.60 N ATOM 860 CA LEU A 61 -0.910 6.295 -8.444 1.00 1.50 C ATOM 861 C LEU A 61 -0.273 4.914 -8.215 1.00 1.75 C ATOM 862 O LEU A 61 -1.016 3.941 -8.125 1.00 2.63 O ATOM 863 CB LEU A 61 -1.619 6.793 -7.157 1.00 1.76 C ATOM 864 CG LEU A 61 -1.838 8.310 -6.953 1.00 1.99 C ATOM 865 CD1 LEU A 61 -2.706 8.540 -5.713 1.00 2.84 C ATOM 866 CD2 LEU A 61 -0.517 9.065 -6.784 1.00 3.12 C ATOM 0 H LEU A 61 -2.058 5.161 -9.761 1.00 1.60 H new ATOM 0 HA LEU A 61 -0.144 7.024 -8.708 1.00 1.50 H new ATOM 0 HB2 LEU A 61 -2.596 6.312 -7.114 1.00 1.76 H new ATOM 0 HB3 LEU A 61 -1.046 6.427 -6.305 1.00 1.76 H new ATOM 0 HG LEU A 61 -2.333 8.692 -7.846 1.00 1.99 H new ATOM 0 HD11 LEU A 61 -2.860 9.610 -5.570 1.00 2.84 H new ATOM 0 HD12 LEU A 61 -3.670 8.049 -5.848 1.00 2.84 H new ATOM 0 HD13 LEU A 61 -2.207 8.125 -4.837 1.00 2.84 H new ATOM 0 HD21 LEU A 61 -0.720 10.127 -6.644 1.00 3.12 H new ATOM 0 HD22 LEU A 61 0.014 8.679 -5.914 1.00 3.12 H new ATOM 0 HD23 LEU A 61 0.097 8.928 -7.674 1.00 3.12 H new ATOM 878 N VAL A 62 1.057 4.791 -8.159 1.00 1.28 N ATOM 879 CA VAL A 62 1.779 3.496 -8.097 1.00 1.53 C ATOM 880 C VAL A 62 1.895 3.019 -6.650 1.00 1.50 C ATOM 881 O VAL A 62 2.992 2.874 -6.109 1.00 2.10 O ATOM 882 CB VAL A 62 3.131 3.467 -8.869 1.00 1.92 C ATOM 883 CG1 VAL A 62 2.837 3.498 -10.386 1.00 2.90 C ATOM 884 CG2 VAL A 62 3.999 4.710 -8.575 1.00 1.94 C ATOM 0 H VAL A 62 1.682 5.597 -8.155 1.00 1.28 H new ATOM 0 HA VAL A 62 1.170 2.775 -8.642 1.00 1.53 H new ATOM 0 HB VAL A 62 3.660 2.568 -8.554 1.00 1.92 H new ATOM 0 HG11 VAL A 62 3.776 3.478 -10.939 1.00 2.90 H new ATOM 0 HG12 VAL A 62 2.237 2.630 -10.658 1.00 2.90 H new ATOM 0 HG13 VAL A 62 2.290 4.408 -10.632 1.00 2.90 H new ATOM 0 HG21 VAL A 62 4.931 4.644 -9.136 1.00 1.94 H new ATOM 0 HG22 VAL A 62 3.459 5.609 -8.872 1.00 1.94 H new ATOM 0 HG23 VAL A 62 4.220 4.756 -7.509 1.00 1.94 H new ATOM 894 N GLY A 63 0.718 2.880 -6.009 1.00 1.84 N ATOM 895 CA GLY A 63 0.531 2.526 -4.608 1.00 1.90 C ATOM 896 C GLY A 63 1.222 3.504 -3.662 1.00 1.25 C ATOM 897 O GLY A 63 0.996 4.711 -3.765 1.00 1.37 O ATOM 0 H GLY A 63 -0.170 3.022 -6.491 1.00 1.84 H new ATOM 0 HA2 GLY A 63 -0.535 2.499 -4.382 1.00 1.90 H new ATOM 0 HA3 GLY A 63 0.919 1.522 -4.435 1.00 1.90 H new ATOM 901 N ALA A 64 2.011 2.981 -2.716 1.00 0.98 N ATOM 902 CA ALA A 64 2.488 3.737 -1.547 1.00 0.86 C ATOM 903 C ALA A 64 3.915 3.383 -1.108 1.00 0.81 C ATOM 904 O ALA A 64 4.373 2.255 -1.269 1.00 1.02 O ATOM 905 CB ALA A 64 1.504 3.499 -0.394 1.00 1.30 C ATOM 0 H ALA A 64 2.340 2.016 -2.738 1.00 0.98 H new ATOM 0 HA ALA A 64 2.529 4.788 -1.831 1.00 0.86 H new ATOM 0 HB1 ALA A 64 1.835 4.049 0.487 1.00 1.30 H new ATOM 0 HB2 ALA A 64 0.512 3.844 -0.685 1.00 1.30 H new ATOM 0 HB3 ALA A 64 1.465 2.434 -0.163 1.00 1.30 H new ATOM 911 N ALA A 65 4.566 4.348 -0.453 1.00 0.73 N ATOM 912 CA ALA A 65 5.855 4.254 0.238 1.00 0.76 C ATOM 913 C ALA A 65 5.868 5.214 1.455 1.00 0.80 C ATOM 914 O ALA A 65 4.820 5.775 1.786 1.00 0.78 O ATOM 915 CB ALA A 65 6.958 4.566 -0.790 1.00 0.89 C ATOM 0 H ALA A 65 4.175 5.288 -0.387 1.00 0.73 H new ATOM 0 HA ALA A 65 6.030 3.255 0.637 1.00 0.76 H new ATOM 0 HB1 ALA A 65 7.933 4.505 -0.307 1.00 0.89 H new ATOM 0 HB2 ALA A 65 6.911 3.844 -1.605 1.00 0.89 H new ATOM 0 HB3 ALA A 65 6.812 5.571 -1.187 1.00 0.89 H new ATOM 921 N THR A 66 7.031 5.476 2.078 1.00 1.06 N ATOM 922 CA THR A 66 7.221 6.338 3.278 1.00 1.33 C ATOM 923 C THR A 66 8.659 6.306 3.827 1.00 1.29 C ATOM 924 O THR A 66 9.255 5.229 3.834 1.00 1.21 O ATOM 925 CB THR A 66 6.223 6.004 4.403 1.00 1.60 C ATOM 926 OG1 THR A 66 6.395 6.923 5.451 1.00 2.10 O ATOM 927 CG2 THR A 66 6.341 4.585 4.962 1.00 1.64 C ATOM 0 H THR A 66 7.911 5.078 1.750 1.00 1.06 H new ATOM 0 HA THR A 66 7.024 7.352 2.929 1.00 1.33 H new ATOM 0 HB THR A 66 5.231 6.070 3.957 1.00 1.60 H new ATOM 0 HG1 THR A 66 5.520 7.165 5.821 1.00 2.10 H new ATOM 0 HG21 THR A 66 5.600 4.441 5.748 1.00 1.64 H new ATOM 0 HG22 THR A 66 6.168 3.864 4.163 1.00 1.64 H new ATOM 0 HG23 THR A 66 7.340 4.438 5.373 1.00 1.64 H new ATOM 935 N PRO A 67 9.192 7.434 4.351 1.00 1.42 N ATOM 936 CA PRO A 67 10.415 7.482 5.161 1.00 1.38 C ATOM 937 C PRO A 67 10.198 7.080 6.635 1.00 1.33 C ATOM 938 O PRO A 67 11.132 7.157 7.435 1.00 1.40 O ATOM 939 CB PRO A 67 10.901 8.933 5.045 1.00 1.59 C ATOM 940 CG PRO A 67 9.594 9.716 4.974 1.00 1.74 C ATOM 941 CD PRO A 67 8.694 8.795 4.153 1.00 1.69 C ATOM 0 HA PRO A 67 11.144 6.758 4.797 1.00 1.38 H new ATOM 0 HB2 PRO A 67 11.505 9.228 5.903 1.00 1.59 H new ATOM 0 HB3 PRO A 67 11.514 9.086 4.157 1.00 1.59 H new ATOM 0 HG2 PRO A 67 9.182 9.906 5.965 1.00 1.74 H new ATOM 0 HG3 PRO A 67 9.728 10.685 4.493 1.00 1.74 H new ATOM 0 HD2 PRO A 67 7.657 8.878 4.477 1.00 1.69 H new ATOM 0 HD3 PRO A 67 8.721 9.067 3.098 1.00 1.69 H new ATOM 949 N LEU A 68 8.994 6.628 7.025 1.00 1.33 N ATOM 950 CA LEU A 68 8.803 5.924 8.300 1.00 1.25 C ATOM 951 C LEU A 68 9.575 4.589 8.318 1.00 1.18 C ATOM 952 O LEU A 68 9.979 4.135 9.388 1.00 1.25 O ATOM 953 CB LEU A 68 7.295 5.693 8.569 1.00 1.40 C ATOM 954 CG LEU A 68 6.554 6.778 9.383 1.00 1.54 C ATOM 955 CD1 LEU A 68 6.958 6.719 10.864 1.00 2.39 C ATOM 956 CD2 LEU A 68 6.744 8.196 8.826 1.00 2.31 C ATOM 0 H LEU A 68 8.142 6.738 6.476 1.00 1.33 H new ATOM 0 HA LEU A 68 9.204 6.550 9.098 1.00 1.25 H new ATOM 0 HB2 LEU A 68 6.792 5.587 7.608 1.00 1.40 H new ATOM 0 HB3 LEU A 68 7.186 4.743 9.092 1.00 1.40 H new ATOM 0 HG LEU A 68 5.491 6.553 9.291 1.00 1.54 H new ATOM 0 HD11 LEU A 68 6.424 7.491 11.418 1.00 2.39 H new ATOM 0 HD12 LEU A 68 6.705 5.740 11.271 1.00 2.39 H new ATOM 0 HD13 LEU A 68 8.032 6.883 10.955 1.00 2.39 H new ATOM 0 HD21 LEU A 68 6.197 8.907 9.446 1.00 2.31 H new ATOM 0 HD22 LEU A 68 7.804 8.450 8.832 1.00 2.31 H new ATOM 0 HD23 LEU A 68 6.366 8.239 7.804 1.00 2.31 H new ATOM 968 N ALA A 69 9.786 3.966 7.157 1.00 1.24 N ATOM 969 CA ALA A 69 10.544 2.721 7.002 1.00 1.28 C ATOM 970 C ALA A 69 11.905 2.979 6.351 1.00 1.34 C ATOM 971 O ALA A 69 12.039 3.911 5.560 1.00 1.56 O ATOM 972 CB ALA A 69 9.696 1.767 6.156 1.00 1.43 C ATOM 0 H ALA A 69 9.424 4.323 6.273 1.00 1.24 H new ATOM 0 HA ALA A 69 10.747 2.279 7.978 1.00 1.28 H new ATOM 0 HB1 ALA A 69 10.231 0.827 6.020 1.00 1.43 H new ATOM 0 HB2 ALA A 69 8.750 1.576 6.662 1.00 1.43 H new ATOM 0 HB3 ALA A 69 9.502 2.218 5.183 1.00 1.43 H new ATOM 978 N THR A 70 12.896 2.125 6.633 1.00 1.33 N ATOM 979 CA THR A 70 14.193 2.158 5.939 1.00 1.46 C ATOM 980 C THR A 70 14.013 1.669 4.502 1.00 1.60 C ATOM 981 O THR A 70 14.456 2.312 3.559 1.00 1.95 O ATOM 982 CB THR A 70 15.249 1.316 6.663 1.00 1.65 C ATOM 983 OG1 THR A 70 15.332 1.731 8.006 1.00 1.64 O ATOM 984 CG2 THR A 70 16.641 1.507 6.060 1.00 2.18 C ATOM 0 H THR A 70 12.825 1.396 7.343 1.00 1.33 H new ATOM 0 HA THR A 70 14.551 3.188 5.934 1.00 1.46 H new ATOM 0 HB THR A 70 14.947 0.273 6.569 1.00 1.65 H new ATOM 0 HG1 THR A 70 14.532 1.437 8.489 1.00 1.64 H new ATOM 0 HG21 THR A 70 17.360 0.893 6.602 1.00 2.18 H new ATOM 0 HG22 THR A 70 16.627 1.209 5.011 1.00 2.18 H new ATOM 0 HG23 THR A 70 16.930 2.555 6.136 1.00 2.18 H new ATOM 992 N SER A 71 13.288 0.564 4.339 1.00 1.39 N ATOM 993 CA SER A 71 12.764 0.103 3.057 1.00 1.50 C ATOM 994 C SER A 71 11.232 -0.001 3.148 1.00 1.35 C ATOM 995 O SER A 71 10.710 -0.992 3.679 1.00 1.28 O ATOM 996 CB SER A 71 13.350 -1.268 2.678 1.00 1.71 C ATOM 997 OG SER A 71 14.688 -1.152 2.215 1.00 1.89 O ATOM 0 H SER A 71 13.043 -0.050 5.115 1.00 1.39 H new ATOM 0 HA SER A 71 13.049 0.820 2.287 1.00 1.50 H new ATOM 0 HB2 SER A 71 13.319 -1.930 3.544 1.00 1.71 H new ATOM 0 HB3 SER A 71 12.734 -1.727 1.904 1.00 1.71 H new ATOM 0 HG SER A 71 15.032 -2.040 1.984 1.00 1.89 H new ATOM 1003 N PRO A 72 10.472 0.977 2.616 1.00 1.41 N ATOM 1004 CA PRO A 72 9.105 0.709 2.207 1.00 1.41 C ATOM 1005 C PRO A 72 9.184 -0.294 1.050 1.00 1.47 C ATOM 1006 O PRO A 72 9.674 0.040 -0.026 1.00 1.78 O ATOM 1007 CB PRO A 72 8.530 2.068 1.802 1.00 1.49 C ATOM 1008 CG PRO A 72 9.757 2.870 1.363 1.00 1.57 C ATOM 1009 CD PRO A 72 10.883 2.325 2.238 1.00 1.51 C ATOM 0 HA PRO A 72 8.464 0.274 2.973 1.00 1.41 H new ATOM 0 HB2 PRO A 72 7.806 1.971 0.993 1.00 1.49 H new ATOM 0 HB3 PRO A 72 8.015 2.548 2.634 1.00 1.49 H new ATOM 0 HG2 PRO A 72 9.970 2.727 0.303 1.00 1.57 H new ATOM 0 HG3 PRO A 72 9.612 3.939 1.518 1.00 1.57 H new ATOM 0 HD2 PRO A 72 11.828 2.308 1.695 1.00 1.51 H new ATOM 0 HD3 PRO A 72 11.032 2.950 3.118 1.00 1.51 H new ATOM 1017 N MET A 73 8.783 -1.544 1.300 1.00 1.19 N ATOM 1018 CA MET A 73 8.976 -2.673 0.384 1.00 1.13 C ATOM 1019 C MET A 73 7.654 -3.063 -0.275 1.00 1.03 C ATOM 1020 O MET A 73 6.671 -3.342 0.407 1.00 1.16 O ATOM 1021 CB MET A 73 9.591 -3.853 1.153 1.00 1.14 C ATOM 1022 CG MET A 73 9.957 -4.989 0.190 1.00 1.34 C ATOM 1023 SD MET A 73 10.858 -6.363 0.946 1.00 1.98 S ATOM 1024 CE MET A 73 10.970 -7.413 -0.523 1.00 2.74 C ATOM 0 H MET A 73 8.305 -1.805 2.163 1.00 1.19 H new ATOM 0 HA MET A 73 9.661 -2.382 -0.412 1.00 1.13 H new ATOM 0 HB2 MET A 73 10.481 -3.522 1.689 1.00 1.14 H new ATOM 0 HB3 MET A 73 8.885 -4.215 1.900 1.00 1.14 H new ATOM 0 HG2 MET A 73 9.042 -5.376 -0.258 1.00 1.34 H new ATOM 0 HG3 MET A 73 10.560 -4.579 -0.620 1.00 1.34 H new ATOM 0 HE1 MET A 73 11.500 -8.332 -0.274 1.00 2.74 H new ATOM 0 HE2 MET A 73 9.967 -7.657 -0.873 1.00 2.74 H new ATOM 0 HE3 MET A 73 11.510 -6.884 -1.308 1.00 2.74 H new ATOM 1034 N LEU A 74 7.616 -3.049 -1.611 1.00 0.99 N ATOM 1035 CA LEU A 74 6.380 -3.125 -2.385 1.00 1.00 C ATOM 1036 C LEU A 74 6.306 -4.390 -3.241 1.00 0.95 C ATOM 1037 O LEU A 74 7.192 -4.628 -4.061 1.00 0.99 O ATOM 1038 CB LEU A 74 6.225 -1.900 -3.312 1.00 1.20 C ATOM 1039 CG LEU A 74 6.509 -0.493 -2.745 1.00 1.74 C ATOM 1040 CD1 LEU A 74 8.000 -0.113 -2.840 1.00 1.64 C ATOM 1041 CD2 LEU A 74 5.728 0.543 -3.573 1.00 3.17 C ATOM 0 H LEU A 74 8.454 -2.984 -2.189 1.00 0.99 H new ATOM 0 HA LEU A 74 5.571 -3.146 -1.655 1.00 1.00 H new ATOM 0 HB2 LEU A 74 6.884 -2.049 -4.168 1.00 1.20 H new ATOM 0 HB3 LEU A 74 5.203 -1.902 -3.692 1.00 1.20 H new ATOM 0 HG LEU A 74 6.210 -0.502 -1.697 1.00 1.74 H new ATOM 0 HD11 LEU A 74 8.148 0.885 -2.428 1.00 1.64 H new ATOM 0 HD12 LEU A 74 8.595 -0.830 -2.275 1.00 1.64 H new ATOM 0 HD13 LEU A 74 8.313 -0.125 -3.884 1.00 1.64 H new ATOM 0 HD21 LEU A 74 5.921 1.542 -3.181 1.00 3.17 H new ATOM 0 HD22 LEU A 74 6.048 0.493 -4.614 1.00 3.17 H new ATOM 0 HD23 LEU A 74 4.661 0.329 -3.511 1.00 3.17 H new ATOM 1053 N MET A 75 5.188 -5.109 -3.145 1.00 1.12 N ATOM 1054 CA MET A 75 4.784 -6.097 -4.151 1.00 1.49 C ATOM 1055 C MET A 75 3.266 -6.307 -4.227 1.00 1.54 C ATOM 1056 O MET A 75 2.538 -6.042 -3.272 1.00 1.77 O ATOM 1057 CB MET A 75 5.535 -7.436 -3.985 1.00 1.74 C ATOM 1058 CG MET A 75 5.552 -7.991 -2.557 1.00 2.09 C ATOM 1059 SD MET A 75 7.016 -7.536 -1.592 1.00 2.74 S ATOM 1060 CE MET A 75 6.625 -8.465 -0.093 1.00 3.84 C ATOM 0 H MET A 75 4.534 -5.024 -2.367 1.00 1.12 H new ATOM 0 HA MET A 75 5.078 -5.671 -5.110 1.00 1.49 H new ATOM 0 HB2 MET A 75 5.078 -8.176 -4.642 1.00 1.74 H new ATOM 0 HB3 MET A 75 6.564 -7.303 -4.320 1.00 1.74 H new ATOM 0 HG2 MET A 75 4.663 -7.639 -2.033 1.00 2.09 H new ATOM 0 HG3 MET A 75 5.486 -9.078 -2.602 1.00 2.09 H new ATOM 0 HE1 MET A 75 7.379 -8.262 0.668 1.00 3.84 H new ATOM 0 HE2 MET A 75 5.645 -8.163 0.277 1.00 3.84 H new ATOM 0 HE3 MET A 75 6.615 -9.531 -0.318 1.00 3.84 H new ATOM 1070 N THR A 76 2.800 -6.819 -5.372 1.00 1.60 N ATOM 1071 CA THR A 76 1.516 -7.506 -5.570 1.00 1.50 C ATOM 1072 C THR A 76 1.761 -8.735 -6.447 1.00 1.52 C ATOM 1073 O THR A 76 2.800 -8.811 -7.108 1.00 1.71 O ATOM 1074 CB THR A 76 0.460 -6.563 -6.163 1.00 1.84 C ATOM 1075 OG1 THR A 76 -0.782 -7.223 -6.133 1.00 2.71 O ATOM 1076 CG2 THR A 76 0.741 -6.121 -7.601 1.00 2.42 C ATOM 0 H THR A 76 3.339 -6.762 -6.236 1.00 1.60 H new ATOM 0 HA THR A 76 1.114 -7.830 -4.610 1.00 1.50 H new ATOM 0 HB THR A 76 0.473 -5.657 -5.557 1.00 1.84 H new ATOM 0 HG1 THR A 76 -1.496 -6.570 -5.978 1.00 2.71 H new ATOM 0 HG21 THR A 76 -0.055 -5.457 -7.940 1.00 2.42 H new ATOM 0 HG22 THR A 76 1.694 -5.594 -7.640 1.00 2.42 H new ATOM 0 HG23 THR A 76 0.784 -6.996 -8.249 1.00 2.42 H new ATOM 1084 N THR A 77 0.798 -9.659 -6.462 1.00 1.51 N ATOM 1085 CA THR A 77 0.777 -10.872 -7.291 1.00 1.63 C ATOM 1086 C THR A 77 -0.655 -11.085 -7.767 1.00 1.77 C ATOM 1087 O THR A 77 -1.564 -11.164 -6.943 1.00 2.66 O ATOM 1088 CB THR A 77 1.258 -12.086 -6.485 1.00 1.72 C ATOM 1089 OG1 THR A 77 2.616 -11.919 -6.155 1.00 2.05 O ATOM 1090 CG2 THR A 77 1.157 -13.392 -7.274 1.00 2.86 C ATOM 0 H THR A 77 -0.029 -9.581 -5.869 1.00 1.51 H new ATOM 0 HA THR A 77 1.448 -10.757 -8.143 1.00 1.63 H new ATOM 0 HB THR A 77 0.619 -12.147 -5.604 1.00 1.72 H new ATOM 0 HG1 THR A 77 2.697 -11.706 -5.202 1.00 2.05 H new ATOM 0 HG21 THR A 77 1.510 -14.218 -6.657 1.00 2.86 H new ATOM 0 HG22 THR A 77 0.119 -13.567 -7.556 1.00 2.86 H new ATOM 0 HG23 THR A 77 1.770 -13.323 -8.173 1.00 2.86 H new ATOM 1098 N THR A 78 -0.865 -11.203 -9.085 1.00 1.83 N ATOM 1099 CA THR A 78 -2.193 -11.379 -9.713 1.00 1.99 C ATOM 1100 C THR A 78 -2.114 -11.729 -11.198 1.00 2.25 C ATOM 1101 O THR A 78 -1.104 -11.499 -11.854 1.00 3.31 O ATOM 1102 CB THR A 78 -3.108 -10.171 -9.450 1.00 3.74 C ATOM 1103 OG1 THR A 78 -4.419 -10.501 -9.851 1.00 4.57 O ATOM 1104 CG2 THR A 78 -2.682 -8.899 -10.182 1.00 5.12 C ATOM 0 H THR A 78 -0.104 -11.179 -9.764 1.00 1.83 H new ATOM 0 HA THR A 78 -2.647 -12.244 -9.230 1.00 1.99 H new ATOM 0 HB THR A 78 -3.044 -9.957 -8.383 1.00 3.74 H new ATOM 0 HG1 THR A 78 -5.013 -9.739 -9.687 1.00 4.57 H new ATOM 0 HG21 THR A 78 -3.377 -8.093 -9.945 1.00 5.12 H new ATOM 0 HG22 THR A 78 -1.678 -8.617 -9.866 1.00 5.12 H new ATOM 0 HG23 THR A 78 -2.687 -9.079 -11.257 1.00 5.12 H new ATOM 1112 N HIS A 79 -3.189 -12.308 -11.720 1.00 2.46 N ATOM 1113 CA HIS A 79 -3.338 -12.786 -13.099 1.00 3.72 C ATOM 1114 C HIS A 79 -4.426 -12.038 -13.900 1.00 4.35 C ATOM 1115 O HIS A 79 -4.778 -12.461 -14.995 1.00 5.93 O ATOM 1116 CB HIS A 79 -3.658 -14.293 -13.007 1.00 4.69 C ATOM 1117 CG HIS A 79 -4.889 -14.610 -12.184 1.00 4.57 C ATOM 1118 ND1 HIS A 79 -4.921 -15.199 -10.937 1.00 4.98 N ATOM 1119 CD2 HIS A 79 -6.186 -14.327 -12.523 1.00 5.07 C ATOM 1120 CE1 HIS A 79 -6.201 -15.252 -10.535 1.00 5.44 C ATOM 1121 NE2 HIS A 79 -7.009 -14.718 -11.464 1.00 5.60 N ATOM 0 H HIS A 79 -4.030 -12.468 -11.165 1.00 2.46 H new ATOM 0 HA HIS A 79 -2.415 -12.597 -13.647 1.00 3.72 H new ATOM 0 HB2 HIS A 79 -3.795 -14.687 -14.014 1.00 4.69 H new ATOM 0 HB3 HIS A 79 -2.801 -14.811 -12.575 1.00 4.69 H new ATOM 0 HD2 HIS A 79 -6.515 -13.879 -13.449 1.00 5.07 H new ATOM 0 HE1 HIS A 79 -6.534 -15.667 -9.595 1.00 5.44 H new ATOM 0 HE2 HIS A 79 -8.022 -14.618 -11.408 1.00 5.60 H new ATOM 1129 N SER A 80 -5.042 -11.005 -13.329 1.00 3.43 N ATOM 1130 CA SER A 80 -6.388 -10.591 -13.738 1.00 4.01 C ATOM 1131 C SER A 80 -6.488 -9.668 -14.974 1.00 4.27 C ATOM 1132 O SER A 80 -5.506 -9.243 -15.606 1.00 5.14 O ATOM 1133 CB SER A 80 -7.140 -10.030 -12.517 1.00 3.82 C ATOM 1134 OG SER A 80 -8.516 -10.379 -12.571 1.00 5.29 O ATOM 0 H SER A 80 -4.635 -10.439 -12.584 1.00 3.43 H new ATOM 0 HA SER A 80 -6.874 -11.496 -14.101 1.00 4.01 H new ATOM 0 HB2 SER A 80 -6.697 -10.419 -11.600 1.00 3.82 H new ATOM 0 HB3 SER A 80 -7.036 -8.945 -12.486 1.00 3.82 H new ATOM 0 HG SER A 80 -8.977 -10.015 -11.786 1.00 5.29 H new ATOM 1140 N GLY A 81 -7.745 -9.355 -15.326 1.00 4.13 N ATOM 1141 CA GLY A 81 -8.152 -8.734 -16.586 1.00 4.73 C ATOM 1142 C GLY A 81 -7.912 -7.232 -16.566 1.00 3.89 C ATOM 1143 O GLY A 81 -8.835 -6.452 -16.328 1.00 4.14 O ATOM 0 H GLY A 81 -8.537 -9.538 -14.709 1.00 4.13 H new ATOM 0 HA2 GLY A 81 -7.597 -9.182 -17.410 1.00 4.73 H new ATOM 0 HA3 GLY A 81 -9.208 -8.933 -16.767 1.00 4.73 H new ATOM 1147 N GLY A 82 -6.658 -6.857 -16.812 1.00 3.81 N ATOM 1148 CA GLY A 82 -6.183 -5.476 -16.905 1.00 4.16 C ATOM 1149 C GLY A 82 -4.668 -5.330 -16.762 1.00 3.97 C ATOM 1150 O GLY A 82 -4.100 -4.491 -17.458 1.00 4.68 O ATOM 0 H GLY A 82 -5.912 -7.537 -16.959 1.00 3.81 H new ATOM 0 HA2 GLY A 82 -6.489 -5.061 -17.865 1.00 4.16 H new ATOM 0 HA3 GLY A 82 -6.670 -4.882 -16.132 1.00 4.16 H new ATOM 1154 N MET A 83 -4.027 -6.135 -15.895 1.00 3.22 N ATOM 1155 CA MET A 83 -2.593 -6.086 -15.556 1.00 3.01 C ATOM 1156 C MET A 83 -2.238 -7.268 -14.636 1.00 2.64 C ATOM 1157 O MET A 83 -2.952 -7.513 -13.663 1.00 2.58 O ATOM 1158 CB MET A 83 -2.242 -4.746 -14.877 1.00 3.04 C ATOM 1159 CG MET A 83 -0.778 -4.344 -15.060 1.00 3.48 C ATOM 1160 SD MET A 83 -0.309 -3.954 -16.766 1.00 4.49 S ATOM 1161 CE MET A 83 1.288 -3.174 -16.424 1.00 5.20 C ATOM 0 H MET A 83 -4.518 -6.872 -15.388 1.00 3.22 H new ATOM 0 HA MET A 83 -2.009 -6.163 -16.473 1.00 3.01 H new ATOM 0 HB2 MET A 83 -2.881 -3.962 -15.283 1.00 3.04 H new ATOM 0 HB3 MET A 83 -2.462 -4.817 -13.812 1.00 3.04 H new ATOM 0 HG2 MET A 83 -0.572 -3.476 -14.433 1.00 3.48 H new ATOM 0 HG3 MET A 83 -0.145 -5.155 -14.700 1.00 3.48 H new ATOM 0 HE1 MET A 83 1.747 -2.858 -17.361 1.00 5.20 H new ATOM 0 HE2 MET A 83 1.139 -2.306 -15.782 1.00 5.20 H new ATOM 0 HE3 MET A 83 1.942 -3.888 -15.923 1.00 5.20 H new ATOM 1171 N ALA A 84 -1.156 -7.993 -14.930 1.00 2.62 N ATOM 1172 CA ALA A 84 -0.794 -9.252 -14.276 1.00 2.30 C ATOM 1173 C ALA A 84 0.720 -9.402 -14.053 1.00 2.23 C ATOM 1174 O ALA A 84 1.519 -8.818 -14.786 1.00 2.70 O ATOM 1175 CB ALA A 84 -1.342 -10.399 -15.139 1.00 2.62 C ATOM 0 H ALA A 84 -0.490 -7.712 -15.649 1.00 2.62 H new ATOM 0 HA ALA A 84 -1.234 -9.270 -13.279 1.00 2.30 H new ATOM 0 HB1 ALA A 84 -1.089 -11.354 -14.678 1.00 2.62 H new ATOM 0 HB2 ALA A 84 -2.426 -10.310 -15.217 1.00 2.62 H new ATOM 0 HB3 ALA A 84 -0.901 -10.348 -16.135 1.00 2.62 H new ATOM 1181 N GLY A 85 1.116 -10.199 -13.053 1.00 1.94 N ATOM 1182 CA GLY A 85 2.504 -10.468 -12.698 1.00 2.17 C ATOM 1183 C GLY A 85 2.645 -11.189 -11.357 1.00 1.76 C ATOM 1184 O GLY A 85 1.728 -11.210 -10.536 1.00 2.11 O ATOM 0 H GLY A 85 0.452 -10.688 -12.452 1.00 1.94 H new ATOM 0 HA2 GLY A 85 2.963 -11.072 -13.480 1.00 2.17 H new ATOM 0 HA3 GLY A 85 3.053 -9.527 -12.659 1.00 2.17 H new ATOM 1188 N MET A 86 3.830 -11.757 -11.158 1.00 2.08 N ATOM 1189 CA MET A 86 4.324 -12.343 -9.904 1.00 2.17 C ATOM 1190 C MET A 86 5.248 -11.374 -9.152 1.00 2.06 C ATOM 1191 O MET A 86 6.233 -10.892 -9.714 1.00 2.50 O ATOM 1192 CB MET A 86 5.020 -13.672 -10.259 1.00 3.06 C ATOM 1193 CG MET A 86 5.663 -14.419 -9.078 1.00 4.19 C ATOM 1194 SD MET A 86 7.409 -14.011 -8.795 1.00 4.51 S ATOM 1195 CE MET A 86 7.799 -15.274 -7.558 1.00 6.05 C ATOM 0 H MET A 86 4.517 -11.828 -11.909 1.00 2.08 H new ATOM 0 HA MET A 86 3.498 -12.536 -9.220 1.00 2.17 H new ATOM 0 HB2 MET A 86 4.289 -14.331 -10.728 1.00 3.06 H new ATOM 0 HB3 MET A 86 5.791 -13.471 -11.002 1.00 3.06 H new ATOM 0 HG2 MET A 86 5.099 -14.196 -8.172 1.00 4.19 H new ATOM 0 HG3 MET A 86 5.576 -15.492 -9.252 1.00 4.19 H new ATOM 0 HE1 MET A 86 8.843 -15.180 -7.259 1.00 6.05 H new ATOM 0 HE2 MET A 86 7.158 -15.140 -6.687 1.00 6.05 H new ATOM 0 HE3 MET A 86 7.631 -16.264 -7.983 1.00 6.05 H new ATOM 1205 N LYS A 87 4.928 -11.102 -7.879 1.00 2.16 N ATOM 1206 CA LYS A 87 5.768 -10.439 -6.872 1.00 2.50 C ATOM 1207 C LYS A 87 6.611 -9.256 -7.416 1.00 1.76 C ATOM 1208 O LYS A 87 7.842 -9.298 -7.405 1.00 1.90 O ATOM 1209 CB LYS A 87 6.559 -11.542 -6.129 1.00 3.76 C ATOM 1210 CG LYS A 87 7.121 -11.196 -4.732 1.00 4.72 C ATOM 1211 CD LYS A 87 8.456 -10.433 -4.651 1.00 5.51 C ATOM 1212 CE LYS A 87 9.527 -11.057 -5.560 1.00 5.97 C ATOM 1213 NZ LYS A 87 10.859 -10.440 -5.370 1.00 7.12 N ATOM 0 H LYS A 87 4.015 -11.356 -7.501 1.00 2.16 H new ATOM 0 HA LYS A 87 5.140 -9.917 -6.150 1.00 2.50 H new ATOM 0 HB2 LYS A 87 5.909 -12.410 -6.025 1.00 3.76 H new ATOM 0 HB3 LYS A 87 7.393 -11.843 -6.763 1.00 3.76 H new ATOM 0 HG2 LYS A 87 6.369 -10.607 -4.208 1.00 4.72 H new ATOM 0 HG3 LYS A 87 7.237 -12.129 -4.180 1.00 4.72 H new ATOM 0 HD2 LYS A 87 8.298 -9.393 -4.937 1.00 5.51 H new ATOM 0 HD3 LYS A 87 8.811 -10.430 -3.620 1.00 5.51 H new ATOM 0 HE2 LYS A 87 9.593 -12.126 -5.358 1.00 5.97 H new ATOM 0 HE3 LYS A 87 9.224 -10.947 -6.601 1.00 5.97 H new ATOM 0 HZ1 LYS A 87 11.546 -10.895 -6.005 1.00 7.12 H new ATOM 0 HZ2 LYS A 87 10.806 -9.425 -5.588 1.00 7.12 H new ATOM 0 HZ3 LYS A 87 11.163 -10.567 -4.383 1.00 7.12 H new ATOM 1227 N MET A 88 5.956 -8.176 -7.856 1.00 2.23 N ATOM 1228 CA MET A 88 6.624 -6.925 -8.267 1.00 2.28 C ATOM 1229 C MET A 88 5.886 -5.674 -7.793 1.00 2.20 C ATOM 1230 O MET A 88 4.726 -5.740 -7.391 1.00 3.61 O ATOM 1231 CB MET A 88 6.840 -6.892 -9.790 1.00 3.47 C ATOM 1232 CG MET A 88 8.034 -7.758 -10.216 1.00 3.91 C ATOM 1233 SD MET A 88 8.819 -7.214 -11.757 1.00 4.80 S ATOM 1234 CE MET A 88 7.546 -7.712 -12.945 1.00 6.48 C ATOM 0 H MET A 88 4.940 -8.140 -7.939 1.00 2.23 H new ATOM 0 HA MET A 88 7.597 -6.916 -7.776 1.00 2.28 H new ATOM 0 HB2 MET A 88 5.939 -7.243 -10.293 1.00 3.47 H new ATOM 0 HB3 MET A 88 7.004 -5.864 -10.112 1.00 3.47 H new ATOM 0 HG2 MET A 88 8.777 -7.753 -9.419 1.00 3.91 H new ATOM 0 HG3 MET A 88 7.700 -8.789 -10.334 1.00 3.91 H new ATOM 0 HE1 MET A 88 7.867 -7.450 -13.953 1.00 6.48 H new ATOM 0 HE2 MET A 88 7.391 -8.789 -12.882 1.00 6.48 H new ATOM 0 HE3 MET A 88 6.613 -7.197 -12.716 1.00 6.48 H new ATOM 1244 N VAL A 89 6.582 -4.531 -7.810 1.00 1.41 N ATOM 1245 CA VAL A 89 6.084 -3.208 -7.381 1.00 1.21 C ATOM 1246 C VAL A 89 4.773 -2.840 -8.108 1.00 1.22 C ATOM 1247 O VAL A 89 4.650 -3.153 -9.295 1.00 1.69 O ATOM 1248 CB VAL A 89 7.141 -2.081 -7.556 1.00 1.59 C ATOM 1249 CG1 VAL A 89 8.453 -2.436 -6.829 1.00 3.11 C ATOM 1250 CG2 VAL A 89 7.490 -1.770 -9.023 1.00 2.18 C ATOM 0 H VAL A 89 7.548 -4.496 -8.136 1.00 1.41 H new ATOM 0 HA VAL A 89 5.879 -3.291 -6.314 1.00 1.21 H new ATOM 0 HB VAL A 89 6.673 -1.197 -7.123 1.00 1.59 H new ATOM 0 HG11 VAL A 89 9.175 -1.631 -6.967 1.00 3.11 H new ATOM 0 HG12 VAL A 89 8.255 -2.567 -5.765 1.00 3.11 H new ATOM 0 HG13 VAL A 89 8.858 -3.361 -7.240 1.00 3.11 H new ATOM 0 HG21 VAL A 89 8.233 -0.974 -9.059 1.00 2.18 H new ATOM 0 HG22 VAL A 89 7.893 -2.664 -9.499 1.00 2.18 H new ATOM 0 HG23 VAL A 89 6.591 -1.452 -9.551 1.00 2.18 H new ATOM 1260 N PRO A 90 3.782 -2.227 -7.425 1.00 1.23 N ATOM 1261 CA PRO A 90 2.438 -2.051 -7.962 1.00 1.61 C ATOM 1262 C PRO A 90 2.357 -1.028 -9.099 1.00 1.84 C ATOM 1263 O PRO A 90 3.037 -0.005 -9.111 1.00 2.77 O ATOM 1264 CB PRO A 90 1.554 -1.627 -6.784 1.00 1.93 C ATOM 1265 CG PRO A 90 2.542 -1.006 -5.798 1.00 1.64 C ATOM 1266 CD PRO A 90 3.805 -1.831 -6.024 1.00 1.26 C ATOM 0 HA PRO A 90 2.106 -2.987 -8.410 1.00 1.61 H new ATOM 0 HB2 PRO A 90 0.792 -0.911 -7.092 1.00 1.93 H new ATOM 0 HB3 PRO A 90 1.033 -2.479 -6.347 1.00 1.93 H new ATOM 0 HG2 PRO A 90 2.707 0.052 -6.003 1.00 1.64 H new ATOM 0 HG3 PRO A 90 2.188 -1.080 -4.770 1.00 1.64 H new ATOM 0 HD2 PRO A 90 4.698 -1.247 -5.798 1.00 1.26 H new ATOM 0 HD3 PRO A 90 3.822 -2.704 -5.372 1.00 1.26 H new ATOM 1274 N TRP A 91 1.443 -1.315 -10.021 1.00 1.90 N ATOM 1275 CA TRP A 91 0.937 -0.405 -11.048 1.00 2.02 C ATOM 1276 C TRP A 91 -0.025 0.652 -10.483 1.00 2.12 C ATOM 1277 O TRP A 91 -0.362 0.645 -9.296 1.00 2.37 O ATOM 1278 CB TRP A 91 0.265 -1.235 -12.158 1.00 2.36 C ATOM 1279 CG TRP A 91 -0.222 -2.600 -11.782 1.00 2.50 C ATOM 1280 CD1 TRP A 91 -1.361 -2.882 -11.114 1.00 2.23 C ATOM 1281 CD2 TRP A 91 0.473 -3.877 -11.967 1.00 3.16 C ATOM 1282 NE1 TRP A 91 -1.443 -4.251 -10.926 1.00 2.65 N ATOM 1283 CE2 TRP A 91 -0.345 -4.909 -11.429 1.00 3.26 C ATOM 1284 CE3 TRP A 91 1.709 -4.259 -12.524 1.00 3.81 C ATOM 1285 CZ2 TRP A 91 0.034 -6.263 -11.467 1.00 3.97 C ATOM 1286 CZ3 TRP A 91 2.103 -5.612 -12.561 1.00 4.52 C ATOM 1287 CH2 TRP A 91 1.268 -6.609 -12.032 1.00 4.60 C ATOM 0 H TRP A 91 1.011 -2.237 -10.076 1.00 1.90 H new ATOM 0 HA TRP A 91 1.779 0.152 -11.459 1.00 2.02 H new ATOM 0 HB2 TRP A 91 -0.582 -0.666 -12.541 1.00 2.36 H new ATOM 0 HB3 TRP A 91 0.975 -1.342 -12.978 1.00 2.36 H new ATOM 0 HD1 TRP A 91 -2.089 -2.158 -10.781 1.00 2.23 H new ATOM 0 HE1 TRP A 91 -2.226 -4.717 -10.468 1.00 2.65 H new ATOM 0 HE3 TRP A 91 2.365 -3.503 -12.929 1.00 3.81 H new ATOM 0 HZ2 TRP A 91 -0.618 -7.025 -11.066 1.00 3.97 H new ATOM 0 HZ3 TRP A 91 3.052 -5.883 -12.999 1.00 4.52 H new ATOM 0 HH2 TRP A 91 1.577 -7.643 -12.061 1.00 4.60 H new ATOM 1298 N LEU A 92 -0.503 1.543 -11.358 1.00 2.44 N ATOM 1299 CA LEU A 92 -1.495 2.577 -11.046 1.00 2.79 C ATOM 1300 C LEU A 92 -2.750 2.025 -10.327 1.00 2.21 C ATOM 1301 O LEU A 92 -3.311 1.002 -10.730 1.00 3.44 O ATOM 1302 CB LEU A 92 -1.845 3.353 -12.341 1.00 4.69 C ATOM 1303 CG LEU A 92 -2.930 2.728 -13.254 1.00 6.11 C ATOM 1304 CD1 LEU A 92 -3.236 3.677 -14.422 1.00 7.99 C ATOM 1305 CD2 LEU A 92 -2.524 1.375 -13.859 1.00 7.30 C ATOM 0 H LEU A 92 -0.201 1.565 -12.332 1.00 2.44 H new ATOM 0 HA LEU A 92 -1.052 3.267 -10.328 1.00 2.79 H new ATOM 0 HB2 LEU A 92 -2.172 4.354 -12.060 1.00 4.69 H new ATOM 0 HB3 LEU A 92 -0.933 3.468 -12.926 1.00 4.69 H new ATOM 0 HG LEU A 92 -3.797 2.568 -12.613 1.00 6.11 H new ATOM 0 HD11 LEU A 92 -3.999 3.233 -15.061 1.00 7.99 H new ATOM 0 HD12 LEU A 92 -3.597 4.629 -14.032 1.00 7.99 H new ATOM 0 HD13 LEU A 92 -2.329 3.844 -15.003 1.00 7.99 H new ATOM 0 HD21 LEU A 92 -3.333 0.999 -14.486 1.00 7.30 H new ATOM 0 HD22 LEU A 92 -1.626 1.501 -14.463 1.00 7.30 H new ATOM 0 HD23 LEU A 92 -2.325 0.663 -13.058 1.00 7.30 H new ATOM 1317 N THR A 93 -3.249 2.715 -9.292 1.00 2.76 N ATOM 1318 CA THR A 93 -4.570 2.440 -8.740 1.00 3.96 C ATOM 1319 C THR A 93 -5.697 2.768 -9.705 1.00 3.43 C ATOM 1320 O THR A 93 -5.581 3.641 -10.560 1.00 4.19 O ATOM 1321 CB THR A 93 -4.771 2.923 -7.298 1.00 6.51 C ATOM 1322 OG1 THR A 93 -5.785 3.888 -7.213 1.00 7.54 O ATOM 1323 CG2 THR A 93 -3.569 3.446 -6.525 1.00 7.82 C ATOM 0 H THR A 93 -2.750 3.470 -8.823 1.00 2.76 H new ATOM 0 HA THR A 93 -4.620 1.357 -8.629 1.00 3.96 H new ATOM 0 HB THR A 93 -5.030 1.983 -6.811 1.00 6.51 H new ATOM 0 HG1 THR A 93 -5.529 4.678 -7.734 1.00 7.54 H new ATOM 0 HG21 THR A 93 -3.882 3.746 -5.525 1.00 7.82 H new ATOM 0 HG22 THR A 93 -2.816 2.662 -6.449 1.00 7.82 H new ATOM 0 HG23 THR A 93 -3.147 4.305 -7.046 1.00 7.82 H new ATOM 1331 N ILE A 94 -6.765 1.983 -9.537 1.00 3.32 N ATOM 1332 CA ILE A 94 -7.994 1.953 -10.343 1.00 2.91 C ATOM 1333 C ILE A 94 -7.715 2.117 -11.852 1.00 2.34 C ATOM 1334 O ILE A 94 -7.966 3.193 -12.387 1.00 2.56 O ATOM 1335 CB ILE A 94 -9.041 2.954 -9.780 1.00 3.37 C ATOM 1336 CG1 ILE A 94 -9.250 2.775 -8.257 1.00 4.48 C ATOM 1337 CG2 ILE A 94 -10.383 2.748 -10.492 1.00 4.00 C ATOM 1338 CD1 ILE A 94 -10.383 3.604 -7.639 1.00 5.79 C ATOM 0 H ILE A 94 -6.798 1.301 -8.779 1.00 3.32 H new ATOM 0 HA ILE A 94 -8.436 0.960 -10.256 1.00 2.91 H new ATOM 0 HB ILE A 94 -8.662 3.961 -9.957 1.00 3.37 H new ATOM 0 HG12 ILE A 94 -9.445 1.721 -8.057 1.00 4.48 H new ATOM 0 HG13 ILE A 94 -8.320 3.029 -7.749 1.00 4.48 H new ATOM 0 HG21 ILE A 94 -11.116 3.451 -10.096 1.00 4.00 H new ATOM 0 HG22 ILE A 94 -10.257 2.918 -11.561 1.00 4.00 H new ATOM 0 HG23 ILE A 94 -10.731 1.728 -10.325 1.00 4.00 H new ATOM 0 HD11 ILE A 94 -10.440 3.401 -6.570 1.00 5.79 H new ATOM 0 HD12 ILE A 94 -10.186 4.664 -7.797 1.00 5.79 H new ATOM 0 HD13 ILE A 94 -11.329 3.336 -8.110 1.00 5.79 H new ATOM 1350 N PRO A 95 -7.251 1.078 -12.573 1.00 2.21 N ATOM 1351 CA PRO A 95 -7.368 1.030 -14.028 1.00 2.41 C ATOM 1352 C PRO A 95 -8.854 0.959 -14.433 1.00 1.92 C ATOM 1353 O PRO A 95 -9.666 0.394 -13.704 1.00 2.25 O ATOM 1354 CB PRO A 95 -6.582 -0.214 -14.459 1.00 3.06 C ATOM 1355 CG PRO A 95 -6.621 -1.123 -13.230 1.00 2.95 C ATOM 1356 CD PRO A 95 -6.656 -0.147 -12.056 1.00 2.56 C ATOM 0 HA PRO A 95 -6.968 1.919 -14.516 1.00 2.41 H new ATOM 0 HB2 PRO A 95 -7.038 -0.694 -15.325 1.00 3.06 H new ATOM 0 HB3 PRO A 95 -5.558 0.037 -14.737 1.00 3.06 H new ATOM 0 HG2 PRO A 95 -7.498 -1.770 -13.239 1.00 2.95 H new ATOM 0 HG3 PRO A 95 -5.747 -1.772 -13.185 1.00 2.95 H new ATOM 0 HD2 PRO A 95 -7.244 -0.549 -11.231 1.00 2.56 H new ATOM 0 HD3 PRO A 95 -5.653 0.038 -11.672 1.00 2.56 H new ATOM 1364 N ALA A 96 -9.215 1.499 -15.601 1.00 2.06 N ATOM 1365 CA ALA A 96 -10.602 1.514 -16.088 1.00 2.15 C ATOM 1366 C ALA A 96 -11.171 0.090 -16.235 1.00 2.46 C ATOM 1367 O ALA A 96 -10.840 -0.644 -17.169 1.00 3.76 O ATOM 1368 CB ALA A 96 -10.649 2.314 -17.396 1.00 2.62 C ATOM 0 H ALA A 96 -8.553 1.940 -16.239 1.00 2.06 H new ATOM 0 HA ALA A 96 -11.246 2.003 -15.357 1.00 2.15 H new ATOM 0 HB1 ALA A 96 -11.672 2.336 -17.773 1.00 2.62 H new ATOM 0 HB2 ALA A 96 -10.308 3.333 -17.212 1.00 2.62 H new ATOM 0 HB3 ALA A 96 -10.000 1.842 -18.134 1.00 2.62 H new ATOM 1374 N ARG A 97 -12.037 -0.315 -15.287 1.00 1.87 N ATOM 1375 CA ARG A 97 -12.753 -1.603 -15.216 1.00 2.00 C ATOM 1376 C ARG A 97 -11.896 -2.758 -14.610 1.00 1.95 C ATOM 1377 O ARG A 97 -12.189 -3.936 -14.841 1.00 2.60 O ATOM 1378 CB ARG A 97 -13.418 -1.962 -16.573 1.00 2.24 C ATOM 1379 CG ARG A 97 -14.717 -2.776 -16.418 1.00 2.27 C ATOM 1380 CD ARG A 97 -15.348 -3.185 -17.760 1.00 2.84 C ATOM 1381 NE ARG A 97 -16.094 -2.094 -18.426 1.00 4.17 N ATOM 1382 CZ ARG A 97 -15.785 -1.491 -19.573 1.00 5.59 C ATOM 1383 NH1 ARG A 97 -14.624 -1.669 -20.172 1.00 6.02 N ATOM 1384 NH2 ARG A 97 -16.678 -0.725 -20.166 1.00 7.09 N ATOM 0 H ARG A 97 -12.271 0.288 -14.498 1.00 1.87 H new ATOM 0 HA ARG A 97 -13.565 -1.471 -14.501 1.00 2.00 H new ATOM 0 HB2 ARG A 97 -13.636 -1.043 -17.117 1.00 2.24 H new ATOM 0 HB3 ARG A 97 -12.711 -2.530 -17.177 1.00 2.24 H new ATOM 0 HG2 ARG A 97 -14.507 -3.673 -15.836 1.00 2.27 H new ATOM 0 HG3 ARG A 97 -15.439 -2.189 -15.850 1.00 2.27 H new ATOM 0 HD2 ARG A 97 -14.562 -3.536 -18.429 1.00 2.84 H new ATOM 0 HD3 ARG A 97 -16.023 -4.025 -17.593 1.00 2.84 H new ATOM 0 HE ARG A 97 -16.938 -1.768 -17.955 1.00 4.17 H new ATOM 0 HH11 ARG A 97 -13.926 -2.286 -19.758 1.00 6.02 H new ATOM 0 HH12 ARG A 97 -14.424 -1.189 -21.050 1.00 6.02 H new ATOM 0 HH21 ARG A 97 -17.599 -0.597 -19.747 1.00 7.09 H new ATOM 0 HH22 ARG A 97 -16.448 -0.260 -21.044 1.00 7.09 H new ATOM 1398 N GLY A 98 -10.852 -2.455 -13.826 1.00 1.51 N ATOM 1399 CA GLY A 98 -10.170 -3.413 -12.930 1.00 1.43 C ATOM 1400 C GLY A 98 -9.747 -2.734 -11.621 1.00 1.69 C ATOM 1401 O GLY A 98 -9.642 -1.504 -11.577 1.00 3.18 O ATOM 0 H GLY A 98 -10.446 -1.520 -13.793 1.00 1.51 H new ATOM 0 HA2 GLY A 98 -10.834 -4.249 -12.712 1.00 1.43 H new ATOM 0 HA3 GLY A 98 -9.293 -3.824 -13.431 1.00 1.43 H new ATOM 1405 N THR A 99 -9.456 -3.515 -10.571 1.00 1.35 N ATOM 1406 CA THR A 99 -9.070 -2.983 -9.258 1.00 1.56 C ATOM 1407 C THR A 99 -7.641 -3.385 -8.891 1.00 1.43 C ATOM 1408 O THR A 99 -7.304 -4.565 -8.803 1.00 1.59 O ATOM 1409 CB THR A 99 -10.112 -3.326 -8.188 1.00 2.11 C ATOM 1410 OG1 THR A 99 -9.714 -2.619 -7.058 1.00 3.54 O ATOM 1411 CG2 THR A 99 -10.246 -4.804 -7.829 1.00 2.43 C ATOM 0 H THR A 99 -9.482 -4.534 -10.609 1.00 1.35 H new ATOM 0 HA THR A 99 -9.059 -1.895 -9.314 1.00 1.56 H new ATOM 0 HB THR A 99 -11.095 -3.062 -8.579 1.00 2.11 H new ATOM 0 HG1 THR A 99 -10.223 -2.931 -6.281 1.00 3.54 H new ATOM 0 HG21 THR A 99 -11.012 -4.924 -7.063 1.00 2.43 H new ATOM 0 HG22 THR A 99 -10.529 -5.370 -8.717 1.00 2.43 H new ATOM 0 HG23 THR A 99 -9.293 -5.174 -7.451 1.00 2.43 H new ATOM 1419 N LEU A 100 -6.775 -2.391 -8.649 1.00 1.47 N ATOM 1420 CA LEU A 100 -5.460 -2.633 -8.029 1.00 1.52 C ATOM 1421 C LEU A 100 -5.659 -3.241 -6.626 1.00 1.44 C ATOM 1422 O LEU A 100 -6.432 -2.725 -5.820 1.00 1.47 O ATOM 1423 CB LEU A 100 -4.587 -1.351 -8.009 1.00 1.92 C ATOM 1424 CG LEU A 100 -3.329 -1.462 -7.101 1.00 3.04 C ATOM 1425 CD1 LEU A 100 -2.260 -2.399 -7.677 1.00 3.94 C ATOM 1426 CD2 LEU A 100 -2.714 -0.090 -6.842 1.00 4.15 C ATOM 0 H LEU A 100 -6.959 -1.413 -8.872 1.00 1.47 H new ATOM 0 HA LEU A 100 -4.907 -3.352 -8.634 1.00 1.52 H new ATOM 0 HB2 LEU A 100 -4.270 -1.123 -9.027 1.00 1.92 H new ATOM 0 HB3 LEU A 100 -5.196 -0.513 -7.669 1.00 1.92 H new ATOM 0 HG LEU A 100 -3.676 -1.890 -6.161 1.00 3.04 H new ATOM 0 HD11 LEU A 100 -1.406 -2.437 -7.000 1.00 3.94 H new ATOM 0 HD12 LEU A 100 -2.677 -3.400 -7.791 1.00 3.94 H new ATOM 0 HD13 LEU A 100 -1.936 -2.028 -8.649 1.00 3.94 H new ATOM 0 HD21 LEU A 100 -1.837 -0.199 -6.205 1.00 4.15 H new ATOM 0 HD22 LEU A 100 -2.420 0.362 -7.789 1.00 4.15 H new ATOM 0 HD23 LEU A 100 -3.445 0.549 -6.347 1.00 4.15 H new ATOM 1438 N THR A 101 -4.926 -4.322 -6.342 1.00 1.50 N ATOM 1439 CA THR A 101 -5.018 -5.126 -5.120 1.00 1.55 C ATOM 1440 C THR A 101 -3.640 -5.220 -4.467 1.00 1.54 C ATOM 1441 O THR A 101 -2.680 -5.612 -5.126 1.00 2.22 O ATOM 1442 CB THR A 101 -5.543 -6.503 -5.531 1.00 2.30 C ATOM 1443 OG1 THR A 101 -6.890 -6.344 -5.909 1.00 2.81 O ATOM 1444 CG2 THR A 101 -5.522 -7.550 -4.418 1.00 2.90 C ATOM 0 H THR A 101 -4.220 -4.676 -6.987 1.00 1.50 H new ATOM 0 HA THR A 101 -5.691 -4.679 -4.389 1.00 1.55 H new ATOM 0 HB THR A 101 -4.889 -6.861 -6.326 1.00 2.30 H new ATOM 0 HG1 THR A 101 -7.258 -7.211 -6.181 1.00 2.81 H new ATOM 0 HG21 THR A 101 -5.911 -8.494 -4.799 1.00 2.90 H new ATOM 0 HG22 THR A 101 -4.498 -7.693 -4.072 1.00 2.90 H new ATOM 0 HG23 THR A 101 -6.142 -7.211 -3.588 1.00 2.90 H new ATOM 1452 N LEU A 102 -3.554 -4.900 -3.173 1.00 1.29 N ATOM 1453 CA LEU A 102 -2.371 -5.077 -2.316 1.00 1.62 C ATOM 1454 C LEU A 102 -2.837 -5.668 -0.975 1.00 1.26 C ATOM 1455 O LEU A 102 -3.154 -4.937 -0.033 1.00 1.23 O ATOM 1456 CB LEU A 102 -1.675 -3.710 -2.110 1.00 2.20 C ATOM 1457 CG LEU A 102 -0.943 -3.138 -3.339 1.00 2.89 C ATOM 1458 CD1 LEU A 102 -0.732 -1.627 -3.184 1.00 3.82 C ATOM 1459 CD2 LEU A 102 0.405 -3.842 -3.499 1.00 4.18 C ATOM 0 H LEU A 102 -4.341 -4.492 -2.668 1.00 1.29 H new ATOM 0 HA LEU A 102 -1.652 -5.754 -2.778 1.00 1.62 H new ATOM 0 HB2 LEU A 102 -2.424 -2.987 -1.788 1.00 2.20 H new ATOM 0 HB3 LEU A 102 -0.957 -3.808 -1.296 1.00 2.20 H new ATOM 0 HG LEU A 102 -1.551 -3.310 -4.227 1.00 2.89 H new ATOM 0 HD11 LEU A 102 -0.214 -1.240 -4.061 1.00 3.82 H new ATOM 0 HD12 LEU A 102 -1.699 -1.133 -3.086 1.00 3.82 H new ATOM 0 HD13 LEU A 102 -0.134 -1.433 -2.294 1.00 3.82 H new ATOM 0 HD21 LEU A 102 0.925 -3.439 -4.368 1.00 4.18 H new ATOM 0 HD22 LEU A 102 1.009 -3.678 -2.607 1.00 4.18 H new ATOM 0 HD23 LEU A 102 0.243 -4.911 -3.637 1.00 4.18 H new ATOM 1471 N GLN A 103 -2.929 -6.996 -0.873 1.00 1.15 N ATOM 1472 CA GLN A 103 -3.545 -7.722 0.250 1.00 1.05 C ATOM 1473 C GLN A 103 -2.681 -8.912 0.697 1.00 1.23 C ATOM 1474 O GLN A 103 -1.998 -9.504 -0.131 1.00 1.44 O ATOM 1475 CB GLN A 103 -4.912 -8.272 -0.209 1.00 1.29 C ATOM 1476 CG GLN A 103 -5.943 -7.222 -0.650 1.00 1.62 C ATOM 1477 CD GLN A 103 -6.432 -6.371 0.509 1.00 1.82 C ATOM 1478 OE1 GLN A 103 -7.434 -6.655 1.146 1.00 1.96 O ATOM 1479 NE2 GLN A 103 -5.738 -5.311 0.867 1.00 3.14 N ATOM 0 H GLN A 103 -2.565 -7.621 -1.593 1.00 1.15 H new ATOM 0 HA GLN A 103 -3.648 -7.030 1.086 1.00 1.05 H new ATOM 0 HB2 GLN A 103 -4.745 -8.960 -1.038 1.00 1.29 H new ATOM 0 HB3 GLN A 103 -5.341 -8.854 0.607 1.00 1.29 H new ATOM 0 HG2 GLN A 103 -5.500 -6.578 -1.409 1.00 1.62 H new ATOM 0 HG3 GLN A 103 -6.793 -7.723 -1.114 1.00 1.62 H new ATOM 0 HE21 GLN A 103 -4.897 -5.054 0.350 1.00 3.14 H new ATOM 0 HE22 GLN A 103 -6.041 -4.747 1.661 1.00 3.14 H new ATOM 1488 N ARG A 104 -2.808 -9.346 1.962 1.00 1.40 N ATOM 1489 CA ARG A 104 -2.217 -10.603 2.466 1.00 1.81 C ATOM 1490 C ARG A 104 -2.712 -11.867 1.730 1.00 2.07 C ATOM 1491 O ARG A 104 -2.096 -12.926 1.813 1.00 2.45 O ATOM 1492 CB ARG A 104 -2.463 -10.724 3.982 1.00 2.03 C ATOM 1493 CG ARG A 104 -3.923 -11.064 4.339 1.00 3.35 C ATOM 1494 CD ARG A 104 -4.179 -11.008 5.849 1.00 4.21 C ATOM 1495 NE ARG A 104 -5.467 -11.641 6.182 1.00 5.59 N ATOM 1496 CZ ARG A 104 -5.632 -12.874 6.652 1.00 5.94 C ATOM 1497 NH1 ARG A 104 -4.627 -13.641 7.018 1.00 5.21 N ATOM 1498 NH2 ARG A 104 -6.848 -13.367 6.743 1.00 7.45 N ATOM 0 H ARG A 104 -3.328 -8.831 2.672 1.00 1.40 H new ATOM 0 HA ARG A 104 -1.147 -10.547 2.264 1.00 1.81 H new ATOM 0 HB2 ARG A 104 -1.808 -11.495 4.389 1.00 2.03 H new ATOM 0 HB3 ARG A 104 -2.188 -9.786 4.463 1.00 2.03 H new ATOM 0 HG2 ARG A 104 -4.591 -10.366 3.833 1.00 3.35 H new ATOM 0 HG3 ARG A 104 -4.163 -12.061 3.968 1.00 3.35 H new ATOM 0 HD2 ARG A 104 -3.372 -11.514 6.379 1.00 4.21 H new ATOM 0 HD3 ARG A 104 -4.180 -9.971 6.185 1.00 4.21 H new ATOM 0 HE ARG A 104 -6.309 -11.083 6.039 1.00 5.59 H new ATOM 0 HH11 ARG A 104 -3.670 -13.296 6.947 1.00 5.21 H new ATOM 0 HH12 ARG A 104 -4.805 -14.581 7.373 1.00 5.21 H new ATOM 0 HH21 ARG A 104 -7.649 -12.805 6.455 1.00 7.45 H new ATOM 0 HH22 ARG A 104 -6.990 -14.311 7.102 1.00 7.45 H new ATOM 1512 N ASP A 105 -3.844 -11.739 1.030 1.00 2.04 N ATOM 1513 CA ASP A 105 -4.421 -12.724 0.112 1.00 2.33 C ATOM 1514 C ASP A 105 -3.520 -13.075 -1.094 1.00 2.21 C ATOM 1515 O ASP A 105 -3.784 -14.083 -1.755 1.00 2.39 O ATOM 1516 CB ASP A 105 -5.778 -12.179 -0.380 1.00 2.50 C ATOM 1517 CG ASP A 105 -6.970 -12.788 0.361 1.00 3.07 C ATOM 1518 OD1 ASP A 105 -7.436 -13.861 -0.092 1.00 3.59 O ATOM 1519 OD2 ASP A 105 -7.461 -12.149 1.322 1.00 3.66 O ATOM 0 H ASP A 105 -4.414 -10.896 1.093 1.00 2.04 H new ATOM 0 HA ASP A 105 -4.535 -13.657 0.664 1.00 2.33 H new ATOM 0 HB2 ASP A 105 -5.795 -11.096 -0.256 1.00 2.50 H new ATOM 0 HB3 ASP A 105 -5.879 -12.380 -1.447 1.00 2.50 H new ATOM 1524 N GLY A 106 -2.467 -12.285 -1.379 1.00 2.19 N ATOM 1525 CA GLY A 106 -1.490 -12.565 -2.444 1.00 2.41 C ATOM 1526 C GLY A 106 -0.127 -11.878 -2.277 1.00 2.72 C ATOM 1527 O GLY A 106 0.893 -12.548 -2.413 1.00 3.55 O ATOM 0 H GLY A 106 -2.270 -11.424 -0.869 1.00 2.19 H new ATOM 0 HA2 GLY A 106 -1.332 -13.642 -2.496 1.00 2.41 H new ATOM 0 HA3 GLY A 106 -1.919 -12.259 -3.398 1.00 2.41 H new ATOM 1531 N ASP A 107 -0.110 -10.582 -1.945 1.00 2.35 N ATOM 1532 CA ASP A 107 1.074 -9.728 -1.738 1.00 2.86 C ATOM 1533 C ASP A 107 0.629 -8.267 -1.564 1.00 1.87 C ATOM 1534 O ASP A 107 -0.419 -7.841 -2.061 1.00 1.79 O ATOM 1535 CB ASP A 107 2.145 -9.846 -2.852 1.00 4.09 C ATOM 1536 CG ASP A 107 3.361 -10.734 -2.546 1.00 5.86 C ATOM 1537 OD1 ASP A 107 3.797 -10.791 -1.370 1.00 6.73 O ATOM 1538 OD2 ASP A 107 3.933 -11.259 -3.530 1.00 6.71 O ATOM 0 H ASP A 107 -0.977 -10.064 -1.804 1.00 2.35 H new ATOM 0 HA ASP A 107 1.562 -10.087 -0.832 1.00 2.86 H new ATOM 0 HB2 ASP A 107 1.661 -10.229 -3.751 1.00 4.09 H new ATOM 0 HB3 ASP A 107 2.505 -8.844 -3.086 1.00 4.09 H new ATOM 1543 N HIS A 108 1.433 -7.473 -0.862 1.00 1.58 N ATOM 1544 CA HIS A 108 1.096 -6.091 -0.535 1.00 1.02 C ATOM 1545 C HIS A 108 2.345 -5.236 -0.296 1.00 0.96 C ATOM 1546 O HIS A 108 3.462 -5.756 -0.269 1.00 1.23 O ATOM 1547 CB HIS A 108 0.144 -6.064 0.677 1.00 1.38 C ATOM 1548 CG HIS A 108 0.733 -6.491 1.995 1.00 2.09 C ATOM 1549 ND1 HIS A 108 2.027 -6.896 2.244 1.00 2.28 N ATOM 1550 CD2 HIS A 108 0.053 -6.579 3.180 1.00 3.39 C ATOM 1551 CE1 HIS A 108 2.110 -7.249 3.534 1.00 3.12 C ATOM 1552 NE2 HIS A 108 0.934 -7.060 4.147 1.00 3.85 N ATOM 0 H HIS A 108 2.340 -7.771 -0.503 1.00 1.58 H new ATOM 0 HA HIS A 108 0.586 -5.649 -1.391 1.00 1.02 H new ATOM 0 HB2 HIS A 108 -0.242 -5.051 0.787 1.00 1.38 H new ATOM 0 HB3 HIS A 108 -0.708 -6.708 0.458 1.00 1.38 H new ATOM 0 HD1 HIS A 108 2.788 -6.922 1.565 1.00 2.28 H new ATOM 0 HD2 HIS A 108 -0.984 -6.321 3.338 1.00 3.39 H new ATOM 0 HE1 HIS A 108 3.000 -7.632 4.012 1.00 3.12 H new ATOM 1560 N VAL A 109 2.139 -3.944 -0.034 1.00 1.09 N ATOM 1561 CA VAL A 109 3.191 -3.054 0.463 1.00 1.16 C ATOM 1562 C VAL A 109 3.410 -3.342 1.956 1.00 1.21 C ATOM 1563 O VAL A 109 2.460 -3.615 2.688 1.00 1.30 O ATOM 1564 CB VAL A 109 2.875 -1.565 0.181 1.00 1.35 C ATOM 1565 CG1 VAL A 109 2.938 -1.267 -1.324 1.00 2.51 C ATOM 1566 CG2 VAL A 109 1.498 -1.114 0.701 1.00 3.04 C ATOM 0 H VAL A 109 1.237 -3.484 -0.160 1.00 1.09 H new ATOM 0 HA VAL A 109 4.119 -3.253 -0.073 1.00 1.16 H new ATOM 0 HB VAL A 109 3.639 -1.007 0.722 1.00 1.35 H new ATOM 0 HG11 VAL A 109 2.712 -0.215 -1.496 1.00 2.51 H new ATOM 0 HG12 VAL A 109 3.938 -1.490 -1.697 1.00 2.51 H new ATOM 0 HG13 VAL A 109 2.209 -1.885 -1.848 1.00 2.51 H new ATOM 0 HG21 VAL A 109 1.348 -0.060 0.467 1.00 3.04 H new ATOM 0 HG22 VAL A 109 0.717 -1.707 0.224 1.00 3.04 H new ATOM 0 HG23 VAL A 109 1.453 -1.256 1.781 1.00 3.04 H new ATOM 1576 N MET A 110 4.660 -3.312 2.414 1.00 1.34 N ATOM 1577 CA MET A 110 5.045 -3.646 3.793 1.00 1.44 C ATOM 1578 C MET A 110 6.297 -2.908 4.245 1.00 1.05 C ATOM 1579 O MET A 110 7.262 -2.715 3.505 1.00 0.92 O ATOM 1580 CB MET A 110 5.121 -5.165 4.023 1.00 1.88 C ATOM 1581 CG MET A 110 5.802 -5.979 2.916 1.00 2.19 C ATOM 1582 SD MET A 110 5.764 -7.767 3.223 1.00 2.26 S ATOM 1583 CE MET A 110 7.090 -7.916 4.448 1.00 2.48 C ATOM 0 H MET A 110 5.453 -3.050 1.829 1.00 1.34 H new ATOM 0 HA MET A 110 4.244 -3.284 4.438 1.00 1.44 H new ATOM 0 HB2 MET A 110 5.652 -5.345 4.958 1.00 1.88 H new ATOM 0 HB3 MET A 110 4.107 -5.544 4.154 1.00 1.88 H new ATOM 0 HG2 MET A 110 5.312 -5.769 1.965 1.00 2.19 H new ATOM 0 HG3 MET A 110 6.838 -5.655 2.820 1.00 2.19 H new ATOM 0 HE1 MET A 110 7.197 -8.960 4.744 1.00 2.48 H new ATOM 0 HE2 MET A 110 8.026 -7.564 4.015 1.00 2.48 H new ATOM 0 HE3 MET A 110 6.846 -7.314 5.323 1.00 2.48 H new ATOM 1593 N LEU A 111 6.228 -2.408 5.476 1.00 1.06 N ATOM 1594 CA LEU A 111 7.144 -1.402 5.991 1.00 0.95 C ATOM 1595 C LEU A 111 8.265 -2.115 6.737 1.00 0.91 C ATOM 1596 O LEU A 111 8.077 -2.517 7.878 1.00 0.94 O ATOM 1597 CB LEU A 111 6.347 -0.416 6.866 1.00 1.01 C ATOM 1598 CG LEU A 111 5.219 0.337 6.128 1.00 1.21 C ATOM 1599 CD1 LEU A 111 4.552 1.332 7.091 1.00 2.52 C ATOM 1600 CD2 LEU A 111 5.726 1.081 4.884 1.00 2.24 C ATOM 0 H LEU A 111 5.521 -2.697 6.152 1.00 1.06 H new ATOM 0 HA LEU A 111 7.608 -0.816 5.197 1.00 0.95 H new ATOM 0 HB2 LEU A 111 5.913 -0.963 7.703 1.00 1.01 H new ATOM 0 HB3 LEU A 111 7.038 0.315 7.287 1.00 1.01 H new ATOM 0 HG LEU A 111 4.497 -0.405 5.789 1.00 1.21 H new ATOM 0 HD11 LEU A 111 3.756 1.864 6.571 1.00 2.52 H new ATOM 0 HD12 LEU A 111 4.133 0.792 7.940 1.00 2.52 H new ATOM 0 HD13 LEU A 111 5.294 2.047 7.447 1.00 2.52 H new ATOM 0 HD21 LEU A 111 4.893 1.594 4.402 1.00 2.24 H new ATOM 0 HD22 LEU A 111 6.480 1.811 5.179 1.00 2.24 H new ATOM 0 HD23 LEU A 111 6.165 0.367 4.187 1.00 2.24 H new ATOM 1612 N MET A 112 9.395 -2.314 6.059 1.00 1.01 N ATOM 1613 CA MET A 112 10.575 -3.027 6.575 1.00 1.06 C ATOM 1614 C MET A 112 11.642 -2.064 7.118 1.00 1.15 C ATOM 1615 O MET A 112 11.945 -1.027 6.514 1.00 1.24 O ATOM 1616 CB MET A 112 11.118 -3.937 5.461 1.00 1.19 C ATOM 1617 CG MET A 112 12.160 -4.946 5.959 1.00 1.34 C ATOM 1618 SD MET A 112 13.848 -4.308 6.123 1.00 2.52 S ATOM 1619 CE MET A 112 14.554 -5.685 7.053 1.00 2.55 C ATOM 0 H MET A 112 9.524 -1.975 5.106 1.00 1.01 H new ATOM 0 HA MET A 112 10.284 -3.641 7.428 1.00 1.06 H new ATOM 0 HB2 MET A 112 10.288 -4.477 5.005 1.00 1.19 H new ATOM 0 HB3 MET A 112 11.564 -3.319 4.681 1.00 1.19 H new ATOM 0 HG2 MET A 112 11.838 -5.326 6.929 1.00 1.34 H new ATOM 0 HG3 MET A 112 12.176 -5.794 5.274 1.00 1.34 H new ATOM 0 HE1 MET A 112 15.606 -5.484 7.258 1.00 2.55 H new ATOM 0 HE2 MET A 112 14.017 -5.802 7.994 1.00 2.55 H new ATOM 0 HE3 MET A 112 14.467 -6.601 6.469 1.00 2.55 H new ATOM 1629 N GLY A 113 12.201 -2.370 8.294 1.00 1.22 N ATOM 1630 CA GLY A 113 13.176 -1.493 8.951 1.00 1.44 C ATOM 1631 C GLY A 113 12.523 -0.221 9.501 1.00 1.50 C ATOM 1632 O GLY A 113 13.009 0.880 9.250 1.00 1.90 O ATOM 0 H GLY A 113 11.993 -3.223 8.813 1.00 1.22 H new ATOM 0 HA2 GLY A 113 13.659 -2.033 9.765 1.00 1.44 H new ATOM 0 HA3 GLY A 113 13.957 -1.222 8.240 1.00 1.44 H new ATOM 1636 N LEU A 114 11.394 -0.359 10.196 1.00 1.32 N ATOM 1637 CA LEU A 114 10.685 0.725 10.886 1.00 1.42 C ATOM 1638 C LEU A 114 11.372 1.102 12.215 1.00 1.38 C ATOM 1639 O LEU A 114 12.427 0.582 12.576 1.00 2.21 O ATOM 1640 CB LEU A 114 9.201 0.310 11.049 1.00 1.77 C ATOM 1641 CG LEU A 114 8.176 1.353 10.545 1.00 2.51 C ATOM 1642 CD1 LEU A 114 6.808 0.670 10.389 1.00 2.74 C ATOM 1643 CD2 LEU A 114 7.986 2.565 11.467 1.00 3.85 C ATOM 0 H LEU A 114 10.929 -1.261 10.299 1.00 1.32 H new ATOM 0 HA LEU A 114 10.720 1.638 10.291 1.00 1.42 H new ATOM 0 HB2 LEU A 114 9.039 -0.626 10.514 1.00 1.77 H new ATOM 0 HB3 LEU A 114 9.008 0.112 12.103 1.00 1.77 H new ATOM 0 HG LEU A 114 8.577 1.728 9.603 1.00 2.51 H new ATOM 0 HD11 LEU A 114 6.077 1.396 10.034 1.00 2.74 H new ATOM 0 HD12 LEU A 114 6.888 -0.145 9.670 1.00 2.74 H new ATOM 0 HD13 LEU A 114 6.487 0.274 11.352 1.00 2.74 H new ATOM 0 HD21 LEU A 114 7.250 3.241 11.032 1.00 3.85 H new ATOM 0 HD22 LEU A 114 7.637 2.228 12.443 1.00 3.85 H new ATOM 0 HD23 LEU A 114 8.936 3.088 11.581 1.00 3.85 H new ATOM 1655 N LYS A 115 10.757 2.046 12.929 1.00 1.08 N ATOM 1656 CA LYS A 115 11.323 2.762 14.080 1.00 1.43 C ATOM 1657 C LYS A 115 10.258 3.195 15.105 1.00 1.56 C ATOM 1658 O LYS A 115 10.292 2.741 16.247 1.00 2.09 O ATOM 1659 CB LYS A 115 12.177 3.957 13.583 1.00 1.80 C ATOM 1660 CG LYS A 115 11.608 4.638 12.325 1.00 2.19 C ATOM 1661 CD LYS A 115 12.282 5.957 11.957 1.00 2.78 C ATOM 1662 CE LYS A 115 11.813 6.274 10.535 1.00 3.37 C ATOM 1663 NZ LYS A 115 12.194 7.639 10.106 1.00 4.39 N ATOM 0 H LYS A 115 9.807 2.348 12.713 1.00 1.08 H new ATOM 0 HA LYS A 115 11.969 2.069 14.619 1.00 1.43 H new ATOM 0 HB2 LYS A 115 12.255 4.695 14.382 1.00 1.80 H new ATOM 0 HB3 LYS A 115 13.188 3.608 13.372 1.00 1.80 H new ATOM 0 HG2 LYS A 115 11.699 3.951 11.483 1.00 2.19 H new ATOM 0 HG3 LYS A 115 10.544 4.818 12.475 1.00 2.19 H new ATOM 0 HD2 LYS A 115 11.998 6.749 12.650 1.00 2.78 H new ATOM 0 HD3 LYS A 115 13.368 5.869 12.002 1.00 2.78 H new ATOM 0 HE2 LYS A 115 12.239 5.547 9.844 1.00 3.37 H new ATOM 0 HE3 LYS A 115 10.730 6.168 10.481 1.00 3.37 H new ATOM 0 HZ1 LYS A 115 11.914 7.782 9.115 1.00 4.39 H new ATOM 0 HZ2 LYS A 115 11.712 8.339 10.706 1.00 4.39 H new ATOM 0 HZ3 LYS A 115 13.223 7.756 10.196 1.00 4.39 H new ATOM 1677 N ARG A 116 9.318 4.078 14.736 1.00 1.65 N ATOM 1678 CA ARG A 116 8.244 4.515 15.646 1.00 1.92 C ATOM 1679 C ARG A 116 7.213 3.385 15.864 1.00 1.44 C ATOM 1680 O ARG A 116 6.875 2.712 14.889 1.00 1.03 O ATOM 1681 CB ARG A 116 7.570 5.801 15.127 1.00 2.37 C ATOM 1682 CG ARG A 116 8.358 7.052 15.561 1.00 3.40 C ATOM 1683 CD ARG A 116 7.700 8.362 15.093 1.00 3.88 C ATOM 1684 NE ARG A 116 8.133 9.495 15.931 1.00 4.42 N ATOM 1685 CZ ARG A 116 8.590 10.681 15.546 1.00 5.59 C ATOM 1686 NH1 ARG A 116 8.723 11.056 14.297 1.00 6.65 N ATOM 1687 NH2 ARG A 116 8.945 11.539 16.477 1.00 6.16 N ATOM 0 H ARG A 116 9.279 4.506 13.811 1.00 1.65 H new ATOM 0 HA ARG A 116 8.691 4.746 16.613 1.00 1.92 H new ATOM 0 HB2 ARG A 116 7.504 5.768 14.040 1.00 2.37 H new ATOM 0 HB3 ARG A 116 6.550 5.860 15.507 1.00 2.37 H new ATOM 0 HG2 ARG A 116 8.445 7.062 16.647 1.00 3.40 H new ATOM 0 HG3 ARG A 116 9.370 6.996 15.160 1.00 3.40 H new ATOM 0 HD2 ARG A 116 7.961 8.553 14.052 1.00 3.88 H new ATOM 0 HD3 ARG A 116 6.615 8.265 15.137 1.00 3.88 H new ATOM 0 HE ARG A 116 8.074 9.349 16.939 1.00 4.42 H new ATOM 0 HH11 ARG A 116 8.467 10.418 13.543 1.00 6.65 H new ATOM 0 HH12 ARG A 116 9.082 11.986 14.079 1.00 6.65 H new ATOM 0 HH21 ARG A 116 8.865 11.285 17.462 1.00 6.16 H new ATOM 0 HH22 ARG A 116 9.300 12.458 16.215 1.00 6.16 H new ATOM 1701 N PRO A 117 6.699 3.183 17.098 1.00 1.87 N ATOM 1702 CA PRO A 117 5.646 2.210 17.397 1.00 1.79 C ATOM 1703 C PRO A 117 4.274 2.704 16.915 1.00 1.41 C ATOM 1704 O PRO A 117 4.133 3.860 16.519 1.00 1.87 O ATOM 1705 CB PRO A 117 5.687 2.040 18.921 1.00 2.70 C ATOM 1706 CG PRO A 117 6.090 3.434 19.401 1.00 3.18 C ATOM 1707 CD PRO A 117 7.066 3.897 18.317 1.00 2.76 C ATOM 0 HA PRO A 117 5.806 1.263 16.882 1.00 1.79 H new ATOM 0 HB2 PRO A 117 4.719 1.737 19.321 1.00 2.70 H new ATOM 0 HB3 PRO A 117 6.409 1.282 19.225 1.00 2.70 H new ATOM 0 HG2 PRO A 117 5.230 4.099 19.481 1.00 3.18 H new ATOM 0 HG3 PRO A 117 6.561 3.403 20.383 1.00 3.18 H new ATOM 0 HD2 PRO A 117 7.000 4.975 18.170 1.00 2.76 H new ATOM 0 HD3 PRO A 117 8.095 3.676 18.601 1.00 2.76 H new ATOM 1715 N LEU A 118 3.254 1.832 16.962 1.00 1.27 N ATOM 1716 CA LEU A 118 1.884 2.114 16.504 1.00 1.00 C ATOM 1717 C LEU A 118 0.834 1.193 17.170 1.00 1.09 C ATOM 1718 O LEU A 118 1.160 0.086 17.592 1.00 1.57 O ATOM 1719 CB LEU A 118 1.782 2.156 14.961 1.00 1.07 C ATOM 1720 CG LEU A 118 2.786 1.321 14.150 1.00 1.88 C ATOM 1721 CD1 LEU A 118 2.635 -0.191 14.367 1.00 3.52 C ATOM 1722 CD2 LEU A 118 2.622 1.619 12.652 1.00 3.05 C ATOM 0 H LEU A 118 3.362 0.887 17.329 1.00 1.27 H new ATOM 0 HA LEU A 118 1.637 3.120 16.843 1.00 1.00 H new ATOM 0 HB2 LEU A 118 0.778 1.834 14.684 1.00 1.07 H new ATOM 0 HB3 LEU A 118 1.881 3.195 14.648 1.00 1.07 H new ATOM 0 HG LEU A 118 3.777 1.607 14.503 1.00 1.88 H new ATOM 0 HD11 LEU A 118 3.374 -0.720 13.765 1.00 3.52 H new ATOM 0 HD12 LEU A 118 2.790 -0.425 15.420 1.00 3.52 H new ATOM 0 HD13 LEU A 118 1.634 -0.503 14.070 1.00 3.52 H new ATOM 0 HD21 LEU A 118 3.336 1.024 12.082 1.00 3.05 H new ATOM 0 HD22 LEU A 118 1.609 1.366 12.340 1.00 3.05 H new ATOM 0 HD23 LEU A 118 2.805 2.678 12.470 1.00 3.05 H new ATOM 1734 N LYS A 119 -0.426 1.645 17.259 1.00 0.94 N ATOM 1735 CA LYS A 119 -1.542 0.927 17.930 1.00 0.99 C ATOM 1736 C LYS A 119 -2.919 1.113 17.223 1.00 0.96 C ATOM 1737 O LYS A 119 -3.076 2.064 16.460 1.00 1.10 O ATOM 1738 CB LYS A 119 -1.566 1.306 19.434 1.00 1.40 C ATOM 1739 CG LYS A 119 -2.054 2.717 19.823 1.00 1.89 C ATOM 1740 CD LYS A 119 -1.086 3.878 19.554 1.00 3.15 C ATOM 1741 CE LYS A 119 0.195 3.853 20.404 1.00 4.71 C ATOM 1742 NZ LYS A 119 1.067 5.019 20.104 1.00 6.39 N ATOM 0 H LYS A 119 -0.713 2.539 16.860 1.00 0.94 H new ATOM 0 HA LYS A 119 -1.355 -0.144 17.848 1.00 0.99 H new ATOM 0 HB2 LYS A 119 -2.197 0.582 19.950 1.00 1.40 H new ATOM 0 HB3 LYS A 119 -0.556 1.184 19.824 1.00 1.40 H new ATOM 0 HG2 LYS A 119 -2.982 2.916 19.287 1.00 1.89 H new ATOM 0 HG3 LYS A 119 -2.294 2.713 20.886 1.00 1.89 H new ATOM 0 HD2 LYS A 119 -0.807 3.865 18.500 1.00 3.15 H new ATOM 0 HD3 LYS A 119 -1.608 4.818 19.734 1.00 3.15 H new ATOM 0 HE2 LYS A 119 -0.068 3.856 21.462 1.00 4.71 H new ATOM 0 HE3 LYS A 119 0.742 2.929 20.214 1.00 4.71 H new ATOM 0 HZ1 LYS A 119 1.991 4.888 20.562 1.00 6.39 H new ATOM 0 HZ2 LYS A 119 1.198 5.099 19.075 1.00 6.39 H new ATOM 0 HZ3 LYS A 119 0.622 5.887 20.464 1.00 6.39 H new ATOM 1756 N VAL A 120 -3.921 0.255 17.489 1.00 1.12 N ATOM 1757 CA VAL A 120 -5.216 0.054 16.753 1.00 1.30 C ATOM 1758 C VAL A 120 -6.108 1.284 16.480 1.00 1.54 C ATOM 1759 O VAL A 120 -7.153 1.155 15.848 1.00 2.15 O ATOM 1760 CB VAL A 120 -6.087 -1.012 17.480 1.00 1.44 C ATOM 1761 CG1 VAL A 120 -6.642 -0.526 18.826 1.00 2.12 C ATOM 1762 CG2 VAL A 120 -7.200 -1.690 16.661 1.00 2.18 C ATOM 0 H VAL A 120 -3.856 -0.376 18.288 1.00 1.12 H new ATOM 0 HA VAL A 120 -4.868 -0.256 15.768 1.00 1.30 H new ATOM 0 HB VAL A 120 -5.351 -1.798 17.651 1.00 1.44 H new ATOM 0 HG11 VAL A 120 -7.240 -1.317 19.280 1.00 2.12 H new ATOM 0 HG12 VAL A 120 -5.816 -0.270 19.489 1.00 2.12 H new ATOM 0 HG13 VAL A 120 -7.265 0.354 18.666 1.00 2.12 H new ATOM 0 HG21 VAL A 120 -7.727 -2.409 17.289 1.00 2.18 H new ATOM 0 HG22 VAL A 120 -7.902 -0.935 16.306 1.00 2.18 H new ATOM 0 HG23 VAL A 120 -6.761 -2.207 15.808 1.00 2.18 H new ATOM 1772 N GLY A 121 -5.735 2.460 16.980 1.00 1.37 N ATOM 1773 CA GLY A 121 -6.487 3.712 16.839 1.00 1.68 C ATOM 1774 C GLY A 121 -5.671 4.920 16.374 1.00 1.54 C ATOM 1775 O GLY A 121 -6.191 6.031 16.424 1.00 1.67 O ATOM 0 H GLY A 121 -4.873 2.575 17.513 1.00 1.37 H new ATOM 0 HA2 GLY A 121 -7.300 3.550 16.131 1.00 1.68 H new ATOM 0 HA3 GLY A 121 -6.944 3.952 17.799 1.00 1.68 H new ATOM 1779 N GLU A 122 -4.414 4.741 15.968 1.00 1.37 N ATOM 1780 CA GLU A 122 -3.499 5.838 15.664 1.00 1.28 C ATOM 1781 C GLU A 122 -3.376 6.081 14.146 1.00 1.23 C ATOM 1782 O GLU A 122 -3.784 5.254 13.316 1.00 1.34 O ATOM 1783 CB GLU A 122 -2.171 5.550 16.389 1.00 1.31 C ATOM 1784 CG GLU A 122 -1.332 6.808 16.639 1.00 1.43 C ATOM 1785 CD GLU A 122 -0.191 6.559 17.629 1.00 1.43 C ATOM 1786 OE1 GLU A 122 0.593 5.604 17.429 1.00 1.75 O ATOM 1787 OE2 GLU A 122 -0.036 7.289 18.635 1.00 2.66 O ATOM 0 H GLU A 122 -3.999 3.818 15.840 1.00 1.37 H new ATOM 0 HA GLU A 122 -3.883 6.788 16.036 1.00 1.28 H new ATOM 0 HB2 GLU A 122 -2.383 5.068 17.343 1.00 1.31 H new ATOM 0 HB3 GLU A 122 -1.588 4.844 15.798 1.00 1.31 H new ATOM 0 HG2 GLU A 122 -0.919 7.160 15.694 1.00 1.43 H new ATOM 0 HG3 GLU A 122 -1.975 7.601 17.021 1.00 1.43 H new ATOM 1794 N THR A 123 -2.844 7.256 13.794 1.00 1.26 N ATOM 1795 CA THR A 123 -2.565 7.713 12.430 1.00 1.41 C ATOM 1796 C THR A 123 -1.058 7.884 12.236 1.00 1.17 C ATOM 1797 O THR A 123 -0.332 8.163 13.186 1.00 1.29 O ATOM 1798 CB THR A 123 -3.352 9.002 12.138 1.00 1.93 C ATOM 1799 OG1 THR A 123 -3.137 9.388 10.802 1.00 2.97 O ATOM 1800 CG2 THR A 123 -2.976 10.194 13.028 1.00 2.89 C ATOM 0 H THR A 123 -2.582 7.952 14.492 1.00 1.26 H new ATOM 0 HA THR A 123 -2.897 6.965 11.710 1.00 1.41 H new ATOM 0 HB THR A 123 -4.394 8.758 12.344 1.00 1.93 H new ATOM 0 HG1 THR A 123 -2.953 8.594 10.258 1.00 2.97 H new ATOM 0 HG21 THR A 123 -3.580 11.059 12.752 1.00 2.89 H new ATOM 0 HG22 THR A 123 -3.160 9.941 14.072 1.00 2.89 H new ATOM 0 HG23 THR A 123 -1.921 10.430 12.893 1.00 2.89 H new ATOM 1808 N VAL A 124 -0.604 7.701 11.002 1.00 0.99 N ATOM 1809 CA VAL A 124 0.780 7.747 10.536 1.00 0.99 C ATOM 1810 C VAL A 124 0.825 8.312 9.104 1.00 0.77 C ATOM 1811 O VAL A 124 -0.208 8.650 8.524 1.00 0.92 O ATOM 1812 CB VAL A 124 1.435 6.352 10.630 1.00 1.43 C ATOM 1813 CG1 VAL A 124 1.782 5.955 12.071 1.00 3.26 C ATOM 1814 CG2 VAL A 124 0.639 5.225 9.959 1.00 1.94 C ATOM 0 H VAL A 124 -1.247 7.500 10.236 1.00 0.99 H new ATOM 0 HA VAL A 124 1.357 8.411 11.179 1.00 0.99 H new ATOM 0 HB VAL A 124 2.358 6.468 10.062 1.00 1.43 H new ATOM 0 HG11 VAL A 124 2.239 4.966 12.076 1.00 3.26 H new ATOM 0 HG12 VAL A 124 2.480 6.680 12.490 1.00 3.26 H new ATOM 0 HG13 VAL A 124 0.873 5.937 12.672 1.00 3.26 H new ATOM 0 HG21 VAL A 124 1.174 4.283 10.075 1.00 1.94 H new ATOM 0 HG22 VAL A 124 -0.342 5.145 10.426 1.00 1.94 H new ATOM 0 HG23 VAL A 124 0.519 5.446 8.898 1.00 1.94 H new ATOM 1824 N ASN A 125 2.023 8.446 8.517 1.00 0.75 N ATOM 1825 CA ASN A 125 2.243 9.193 7.267 1.00 0.79 C ATOM 1826 C ASN A 125 2.857 8.350 6.128 1.00 0.74 C ATOM 1827 O ASN A 125 3.735 7.507 6.335 1.00 0.85 O ATOM 1828 CB ASN A 125 3.089 10.448 7.551 1.00 1.05 C ATOM 1829 CG ASN A 125 2.291 11.518 8.300 1.00 1.63 C ATOM 1830 OD1 ASN A 125 1.645 12.361 7.687 1.00 3.17 O ATOM 1831 ND2 ASN A 125 2.277 11.479 9.626 1.00 1.33 N ATOM 0 H ASN A 125 2.875 8.036 8.899 1.00 0.75 H new ATOM 0 HA ASN A 125 1.259 9.487 6.902 1.00 0.79 H new ATOM 0 HB2 ASN A 125 3.964 10.170 8.139 1.00 1.05 H new ATOM 0 HB3 ASN A 125 3.454 10.860 6.610 1.00 1.05 H new ATOM 0 HD21 ASN A 125 1.723 12.157 10.150 1.00 1.33 H new ATOM 0 HD22 ASN A 125 2.820 10.771 10.121 1.00 1.33 H new ATOM 1838 N ILE A 126 2.371 8.607 4.909 1.00 0.82 N ATOM 1839 CA ILE A 126 2.629 7.875 3.663 1.00 0.84 C ATOM 1840 C ILE A 126 2.919 8.861 2.521 1.00 0.86 C ATOM 1841 O ILE A 126 2.262 9.898 2.385 1.00 0.84 O ATOM 1842 CB ILE A 126 1.409 6.967 3.352 1.00 0.90 C ATOM 1843 CG1 ILE A 126 1.350 5.702 4.242 1.00 1.31 C ATOM 1844 CG2 ILE A 126 1.302 6.560 1.873 1.00 1.80 C ATOM 1845 CD1 ILE A 126 2.495 4.691 4.108 1.00 2.28 C ATOM 0 H ILE A 126 1.738 9.392 4.755 1.00 0.82 H new ATOM 0 HA ILE A 126 3.510 7.242 3.771 1.00 0.84 H new ATOM 0 HB ILE A 126 0.551 7.596 3.588 1.00 0.90 H new ATOM 0 HG12 ILE A 126 1.305 6.024 5.282 1.00 1.31 H new ATOM 0 HG13 ILE A 126 0.416 5.183 4.028 1.00 1.31 H new ATOM 0 HG21 ILE A 126 0.426 5.927 1.732 1.00 1.80 H new ATOM 0 HG22 ILE A 126 1.207 7.453 1.256 1.00 1.80 H new ATOM 0 HG23 ILE A 126 2.197 6.011 1.581 1.00 1.80 H new ATOM 0 HD11 ILE A 126 2.325 3.856 4.788 1.00 2.28 H new ATOM 0 HD12 ILE A 126 2.536 4.321 3.083 1.00 2.28 H new ATOM 0 HD13 ILE A 126 3.439 5.175 4.357 1.00 2.28 H new ATOM 1857 N THR A 127 3.855 8.474 1.655 1.00 0.96 N ATOM 1858 CA THR A 127 4.096 9.052 0.334 1.00 0.89 C ATOM 1859 C THR A 127 3.380 8.186 -0.699 1.00 0.72 C ATOM 1860 O THR A 127 3.708 7.011 -0.846 1.00 0.91 O ATOM 1861 CB THR A 127 5.602 9.142 0.034 1.00 1.10 C ATOM 1862 OG1 THR A 127 6.272 8.051 0.598 1.00 2.17 O ATOM 1863 CG2 THR A 127 6.212 10.423 0.602 1.00 1.59 C ATOM 0 H THR A 127 4.498 7.711 1.867 1.00 0.96 H new ATOM 0 HA THR A 127 3.708 10.070 0.298 1.00 0.89 H new ATOM 0 HB THR A 127 5.715 9.142 -1.050 1.00 1.10 H new ATOM 0 HG1 THR A 127 7.229 8.117 0.400 1.00 2.17 H new ATOM 0 HG21 THR A 127 7.277 10.452 0.371 1.00 1.59 H new ATOM 0 HG22 THR A 127 5.720 11.288 0.158 1.00 1.59 H new ATOM 0 HG23 THR A 127 6.075 10.443 1.683 1.00 1.59 H new ATOM 1871 N LEU A 128 2.427 8.774 -1.424 1.00 0.64 N ATOM 1872 CA LEU A 128 1.915 8.232 -2.687 1.00 0.72 C ATOM 1873 C LEU A 128 2.697 8.880 -3.838 1.00 0.97 C ATOM 1874 O LEU A 128 3.427 9.845 -3.628 1.00 1.93 O ATOM 1875 CB LEU A 128 0.391 8.417 -2.830 1.00 1.06 C ATOM 1876 CG LEU A 128 -0.465 7.971 -1.624 1.00 1.33 C ATOM 1877 CD1 LEU A 128 -1.958 8.144 -1.948 1.00 2.16 C ATOM 1878 CD2 LEU A 128 -0.248 6.504 -1.235 1.00 2.42 C ATOM 0 H LEU A 128 1.983 9.650 -1.149 1.00 0.64 H new ATOM 0 HA LEU A 128 2.069 7.153 -2.709 1.00 0.72 H new ATOM 0 HB2 LEU A 128 0.190 9.471 -3.022 1.00 1.06 H new ATOM 0 HB3 LEU A 128 0.059 7.864 -3.709 1.00 1.06 H new ATOM 0 HG LEU A 128 -0.154 8.599 -0.790 1.00 1.33 H new ATOM 0 HD11 LEU A 128 -2.555 7.827 -1.093 1.00 2.16 H new ATOM 0 HD12 LEU A 128 -2.164 9.192 -2.166 1.00 2.16 H new ATOM 0 HD13 LEU A 128 -2.215 7.536 -2.815 1.00 2.16 H new ATOM 0 HD21 LEU A 128 -0.879 6.257 -0.381 1.00 2.42 H new ATOM 0 HD22 LEU A 128 -0.508 5.862 -2.077 1.00 2.42 H new ATOM 0 HD23 LEU A 128 0.798 6.349 -0.970 1.00 2.42 H new ATOM 1890 N LYS A 129 2.607 8.332 -5.050 1.00 1.00 N ATOM 1891 CA LYS A 129 3.506 8.639 -6.170 1.00 1.36 C ATOM 1892 C LYS A 129 2.751 8.319 -7.459 1.00 1.24 C ATOM 1893 O LYS A 129 2.157 7.242 -7.543 1.00 1.28 O ATOM 1894 CB LYS A 129 4.767 7.770 -5.982 1.00 2.08 C ATOM 1895 CG LYS A 129 6.081 8.339 -6.538 1.00 2.81 C ATOM 1896 CD LYS A 129 6.075 8.610 -8.039 1.00 3.44 C ATOM 1897 CE LYS A 129 7.490 8.937 -8.527 1.00 3.45 C ATOM 1898 NZ LYS A 129 7.465 9.438 -9.926 1.00 4.63 N ATOM 0 H LYS A 129 1.891 7.646 -5.289 1.00 1.00 H new ATOM 0 HA LYS A 129 3.814 9.684 -6.213 1.00 1.36 H new ATOM 0 HB2 LYS A 129 4.899 7.587 -4.916 1.00 2.08 H new ATOM 0 HB3 LYS A 129 4.588 6.803 -6.452 1.00 2.08 H new ATOM 0 HG2 LYS A 129 6.308 9.269 -6.016 1.00 2.81 H new ATOM 0 HG3 LYS A 129 6.887 7.641 -6.312 1.00 2.81 H new ATOM 0 HD2 LYS A 129 5.692 7.739 -8.571 1.00 3.44 H new ATOM 0 HD3 LYS A 129 5.405 9.440 -8.263 1.00 3.44 H new ATOM 0 HE2 LYS A 129 7.940 9.687 -7.876 1.00 3.45 H new ATOM 0 HE3 LYS A 129 8.115 8.046 -8.466 1.00 3.45 H new ATOM 0 HZ1 LYS A 129 8.428 9.701 -10.218 1.00 4.63 H new ATOM 0 HZ2 LYS A 129 7.104 8.693 -10.555 1.00 4.63 H new ATOM 0 HZ3 LYS A 129 6.846 10.271 -9.985 1.00 4.63 H new ATOM 1912 N ALA A 130 2.711 9.244 -8.430 1.00 1.53 N ATOM 1913 CA ALA A 130 2.142 9.009 -9.766 1.00 1.55 C ATOM 1914 C ALA A 130 3.239 8.651 -10.765 1.00 1.78 C ATOM 1915 O ALA A 130 4.386 9.053 -10.575 1.00 2.11 O ATOM 1916 CB ALA A 130 1.239 10.160 -10.208 1.00 1.73 C ATOM 0 H ALA A 130 3.077 10.188 -8.308 1.00 1.53 H new ATOM 0 HA ALA A 130 1.484 8.141 -9.721 1.00 1.55 H new ATOM 0 HB1 ALA A 130 0.839 9.948 -11.199 1.00 1.73 H new ATOM 0 HB2 ALA A 130 0.417 10.270 -9.501 1.00 1.73 H new ATOM 0 HB3 ALA A 130 1.816 11.084 -10.240 1.00 1.73 H new ATOM 1922 N THR A 131 2.880 7.869 -11.796 1.00 1.80 N ATOM 1923 CA THR A 131 3.787 7.253 -12.787 1.00 2.25 C ATOM 1924 C THR A 131 4.728 8.229 -13.526 1.00 2.66 C ATOM 1925 O THR A 131 5.804 7.837 -13.973 1.00 3.34 O ATOM 1926 CB THR A 131 2.941 6.416 -13.773 1.00 2.24 C ATOM 1927 OG1 THR A 131 1.893 5.789 -13.058 1.00 3.37 O ATOM 1928 CG2 THR A 131 3.758 5.300 -14.428 1.00 3.71 C ATOM 0 H THR A 131 1.903 7.636 -11.973 1.00 1.80 H new ATOM 0 HA THR A 131 4.476 6.619 -12.230 1.00 2.25 H new ATOM 0 HB THR A 131 2.574 7.095 -14.543 1.00 2.24 H new ATOM 0 HG1 THR A 131 1.349 5.256 -13.675 1.00 3.37 H new ATOM 0 HG21 THR A 131 3.123 4.738 -15.113 1.00 3.71 H new ATOM 0 HG22 THR A 131 4.591 5.735 -14.980 1.00 3.71 H new ATOM 0 HG23 THR A 131 4.143 4.631 -13.658 1.00 3.71 H new ATOM 1936 N ASP A 132 4.372 9.515 -13.586 1.00 2.53 N ATOM 1937 CA ASP A 132 5.209 10.618 -14.085 1.00 3.20 C ATOM 1938 C ASP A 132 4.980 11.888 -13.232 1.00 3.39 C ATOM 1939 O ASP A 132 5.167 13.026 -13.659 1.00 4.11 O ATOM 1940 CB ASP A 132 4.908 10.838 -15.576 1.00 3.47 C ATOM 1941 CG ASP A 132 5.915 11.795 -16.217 1.00 3.69 C ATOM 1942 OD1 ASP A 132 7.124 11.644 -15.936 1.00 4.55 O ATOM 1943 OD2 ASP A 132 5.484 12.667 -17.004 1.00 3.79 O ATOM 0 H ASP A 132 3.454 9.833 -13.276 1.00 2.53 H new ATOM 0 HA ASP A 132 6.266 10.369 -13.993 1.00 3.20 H new ATOM 0 HB2 ASP A 132 4.931 9.881 -16.098 1.00 3.47 H new ATOM 0 HB3 ASP A 132 3.901 11.239 -15.689 1.00 3.47 H new ATOM 1948 N GLY A 133 4.508 11.665 -12.001 1.00 3.13 N ATOM 1949 CA GLY A 133 4.129 12.705 -11.058 1.00 3.34 C ATOM 1950 C GLY A 133 4.990 12.672 -9.813 1.00 3.66 C ATOM 1951 O GLY A 133 5.680 11.702 -9.491 1.00 4.83 O ATOM 0 H GLY A 133 4.378 10.724 -11.629 1.00 3.13 H new ATOM 0 HA2 GLY A 133 4.218 13.680 -11.536 1.00 3.34 H new ATOM 0 HA3 GLY A 133 3.082 12.581 -10.780 1.00 3.34 H new ATOM 1955 N ARG A 134 4.912 13.785 -9.111 1.00 3.32 N ATOM 1956 CA ARG A 134 5.935 14.295 -8.196 1.00 4.08 C ATOM 1957 C ARG A 134 5.690 14.036 -6.712 1.00 4.15 C ATOM 1958 O ARG A 134 6.148 14.804 -5.869 1.00 5.15 O ATOM 1959 CB ARG A 134 6.155 15.796 -8.530 1.00 4.81 C ATOM 1960 CG ARG A 134 7.573 16.098 -9.030 1.00 6.45 C ATOM 1961 CD ARG A 134 8.661 15.978 -7.957 1.00 7.72 C ATOM 1962 NE ARG A 134 9.948 16.423 -8.521 1.00 9.19 N ATOM 1963 CZ ARG A 134 11.160 16.214 -8.029 1.00 10.62 C ATOM 1964 NH1 ARG A 134 11.371 15.672 -6.845 1.00 11.09 N ATOM 1965 NH2 ARG A 134 12.185 16.640 -8.734 1.00 11.89 N ATOM 0 H ARG A 134 4.096 14.395 -9.160 1.00 3.32 H new ATOM 0 HA ARG A 134 6.848 13.724 -8.365 1.00 4.08 H new ATOM 0 HB2 ARG A 134 5.435 16.103 -9.289 1.00 4.81 H new ATOM 0 HB3 ARG A 134 5.955 16.393 -7.641 1.00 4.81 H new ATOM 0 HG2 ARG A 134 7.810 15.417 -9.848 1.00 6.45 H new ATOM 0 HG3 ARG A 134 7.593 17.108 -9.440 1.00 6.45 H new ATOM 0 HD2 ARG A 134 8.401 16.584 -7.089 1.00 7.72 H new ATOM 0 HD3 ARG A 134 8.738 14.946 -7.614 1.00 7.72 H new ATOM 0 HE ARG A 134 9.900 16.953 -9.391 1.00 9.19 H new ATOM 0 HH11 ARG A 134 10.581 15.393 -6.264 1.00 11.09 H new ATOM 0 HH12 ARG A 134 12.324 15.532 -6.511 1.00 11.09 H new ATOM 0 HH21 ARG A 134 12.030 17.112 -9.625 1.00 11.89 H new ATOM 0 HH22 ARG A 134 13.135 16.499 -8.390 1.00 11.89 H new ATOM 1979 N THR A 135 4.998 12.923 -6.427 1.00 3.62 N ATOM 1980 CA THR A 135 4.821 12.355 -5.077 1.00 3.74 C ATOM 1981 C THR A 135 3.788 13.160 -4.282 1.00 2.16 C ATOM 1982 O THR A 135 3.347 14.232 -4.697 1.00 2.51 O ATOM 1983 CB THR A 135 6.168 12.210 -4.355 1.00 5.46 C ATOM 1984 OG1 THR A 135 7.118 11.781 -5.310 1.00 6.76 O ATOM 1985 CG2 THR A 135 6.222 11.231 -3.181 1.00 6.32 C ATOM 0 H THR A 135 4.531 12.375 -7.149 1.00 3.62 H new ATOM 0 HA THR A 135 4.421 11.345 -5.169 1.00 3.74 H new ATOM 0 HB THR A 135 6.364 13.189 -3.919 1.00 5.46 H new ATOM 0 HG1 THR A 135 7.992 11.680 -4.879 1.00 6.76 H new ATOM 0 HG21 THR A 135 7.227 11.223 -2.760 1.00 6.32 H new ATOM 0 HG22 THR A 135 5.511 11.541 -2.416 1.00 6.32 H new ATOM 0 HG23 THR A 135 5.967 10.230 -3.530 1.00 6.32 H new ATOM 1993 N LEU A 136 3.312 12.589 -3.176 1.00 1.49 N ATOM 1994 CA LEU A 136 2.160 13.117 -2.458 1.00 1.40 C ATOM 1995 C LEU A 136 2.136 12.693 -0.991 1.00 1.08 C ATOM 1996 O LEU A 136 2.214 11.511 -0.678 1.00 0.93 O ATOM 1997 CB LEU A 136 0.890 12.703 -3.223 1.00 3.22 C ATOM 1998 CG LEU A 136 -0.301 13.617 -2.905 1.00 4.13 C ATOM 1999 CD1 LEU A 136 -0.171 14.981 -3.603 1.00 5.02 C ATOM 2000 CD2 LEU A 136 -1.599 12.936 -3.364 1.00 5.17 C ATOM 0 H LEU A 136 3.714 11.751 -2.757 1.00 1.49 H new ATOM 0 HA LEU A 136 2.220 14.205 -2.423 1.00 1.40 H new ATOM 0 HB2 LEU A 136 1.089 12.727 -4.294 1.00 3.22 H new ATOM 0 HB3 LEU A 136 0.634 11.674 -2.970 1.00 3.22 H new ATOM 0 HG LEU A 136 -0.318 13.787 -1.829 1.00 4.13 H new ATOM 0 HD11 LEU A 136 -1.033 15.601 -3.354 1.00 5.02 H new ATOM 0 HD12 LEU A 136 0.741 15.476 -3.268 1.00 5.02 H new ATOM 0 HD13 LEU A 136 -0.129 14.835 -4.682 1.00 5.02 H new ATOM 0 HD21 LEU A 136 -2.448 13.582 -3.140 1.00 5.17 H new ATOM 0 HD22 LEU A 136 -1.555 12.755 -4.438 1.00 5.17 H new ATOM 0 HD23 LEU A 136 -1.717 11.987 -2.840 1.00 5.17 H new ATOM 2012 N ASN A 137 2.011 13.661 -0.084 1.00 1.38 N ATOM 2013 CA ASN A 137 2.071 13.492 1.368 1.00 1.28 C ATOM 2014 C ASN A 137 0.676 13.181 1.948 1.00 1.28 C ATOM 2015 O ASN A 137 -0.144 14.081 2.118 1.00 1.73 O ATOM 2016 CB ASN A 137 2.703 14.766 1.977 1.00 1.56 C ATOM 2017 CG ASN A 137 2.313 16.071 1.276 1.00 2.98 C ATOM 2018 OD1 ASN A 137 3.083 16.629 0.502 1.00 4.42 O ATOM 2019 ND2 ASN A 137 1.098 16.559 1.445 1.00 3.60 N ATOM 0 H ASN A 137 1.858 14.632 -0.355 1.00 1.38 H new ATOM 0 HA ASN A 137 2.694 12.636 1.627 1.00 1.28 H new ATOM 0 HB2 ASN A 137 2.415 14.833 3.026 1.00 1.56 H new ATOM 0 HB3 ASN A 137 3.788 14.665 1.951 1.00 1.56 H new ATOM 0 HD21 ASN A 137 0.808 17.393 0.934 1.00 3.60 H new ATOM 0 HD22 ASN A 137 0.450 16.102 2.087 1.00 3.60 H new ATOM 2026 N VAL A 138 0.402 11.914 2.248 1.00 1.01 N ATOM 2027 CA VAL A 138 -0.943 11.405 2.595 1.00 1.14 C ATOM 2028 C VAL A 138 -0.947 10.722 3.973 1.00 0.96 C ATOM 2029 O VAL A 138 0.081 10.269 4.474 1.00 0.99 O ATOM 2030 CB VAL A 138 -1.486 10.483 1.467 1.00 1.48 C ATOM 2031 CG1 VAL A 138 -2.942 10.039 1.693 1.00 1.64 C ATOM 2032 CG2 VAL A 138 -1.446 11.234 0.119 1.00 1.89 C ATOM 0 H VAL A 138 1.118 11.188 2.260 1.00 1.01 H new ATOM 0 HA VAL A 138 -1.624 12.252 2.673 1.00 1.14 H new ATOM 0 HB VAL A 138 -0.848 9.599 1.468 1.00 1.48 H new ATOM 0 HG11 VAL A 138 -3.259 9.398 0.870 1.00 1.64 H new ATOM 0 HG12 VAL A 138 -3.013 9.487 2.630 1.00 1.64 H new ATOM 0 HG13 VAL A 138 -3.587 10.916 1.739 1.00 1.64 H new ATOM 0 HG21 VAL A 138 -1.827 10.586 -0.670 1.00 1.89 H new ATOM 0 HG22 VAL A 138 -2.064 12.130 0.183 1.00 1.89 H new ATOM 0 HG23 VAL A 138 -0.419 11.518 -0.109 1.00 1.89 H new ATOM 2042 N ALA A 139 -2.110 10.713 4.631 1.00 1.14 N ATOM 2043 CA ALA A 139 -2.349 10.011 5.894 1.00 1.21 C ATOM 2044 C ALA A 139 -2.405 8.475 5.732 1.00 1.42 C ATOM 2045 O ALA A 139 -2.382 7.941 4.623 1.00 2.26 O ATOM 2046 CB ALA A 139 -3.654 10.560 6.490 1.00 1.74 C ATOM 0 H ALA A 139 -2.934 11.208 4.290 1.00 1.14 H new ATOM 0 HA ALA A 139 -1.510 10.193 6.566 1.00 1.21 H new ATOM 0 HB1 ALA A 139 -3.863 10.057 7.434 1.00 1.74 H new ATOM 0 HB2 ALA A 139 -3.552 11.631 6.664 1.00 1.74 H new ATOM 0 HB3 ALA A 139 -4.475 10.382 5.795 1.00 1.74 H new ATOM 2052 N ALA A 140 -2.511 7.785 6.866 1.00 1.18 N ATOM 2053 CA ALA A 140 -2.555 6.329 6.984 1.00 1.24 C ATOM 2054 C ALA A 140 -2.973 5.932 8.398 1.00 1.13 C ATOM 2055 O ALA A 140 -2.525 6.549 9.367 1.00 1.26 O ATOM 2056 CB ALA A 140 -1.191 5.754 6.600 1.00 1.35 C ATOM 0 H ALA A 140 -2.572 8.249 7.772 1.00 1.18 H new ATOM 0 HA ALA A 140 -3.299 5.916 6.303 1.00 1.24 H new ATOM 0 HB1 ALA A 140 -1.217 4.668 6.686 1.00 1.35 H new ATOM 0 HB2 ALA A 140 -0.955 6.031 5.573 1.00 1.35 H new ATOM 0 HB3 ALA A 140 -0.427 6.153 7.268 1.00 1.35 H new ATOM 2062 N THR A 141 -3.849 4.931 8.508 1.00 0.97 N ATOM 2063 CA THR A 141 -4.554 4.594 9.757 1.00 0.96 C ATOM 2064 C THR A 141 -4.036 3.266 10.274 1.00 0.95 C ATOM 2065 O THR A 141 -3.720 2.395 9.474 1.00 1.03 O ATOM 2066 CB THR A 141 -6.069 4.496 9.519 1.00 1.10 C ATOM 2067 OG1 THR A 141 -6.486 5.469 8.587 1.00 1.27 O ATOM 2068 CG2 THR A 141 -6.845 4.726 10.818 1.00 1.30 C ATOM 0 H THR A 141 -4.095 4.322 7.727 1.00 0.97 H new ATOM 0 HA THR A 141 -4.371 5.380 10.489 1.00 0.96 H new ATOM 0 HB THR A 141 -6.272 3.495 9.139 1.00 1.10 H new ATOM 0 HG1 THR A 141 -6.342 5.134 7.677 1.00 1.27 H new ATOM 0 HG21 THR A 141 -7.914 4.651 10.621 1.00 1.30 H new ATOM 0 HG22 THR A 141 -6.558 3.973 11.552 1.00 1.30 H new ATOM 0 HG23 THR A 141 -6.616 5.718 11.208 1.00 1.30 H new ATOM 2076 N VAL A 142 -3.966 3.055 11.577 1.00 1.00 N ATOM 2077 CA VAL A 142 -3.474 1.782 12.142 1.00 1.00 C ATOM 2078 C VAL A 142 -4.637 0.991 12.755 1.00 1.22 C ATOM 2079 O VAL A 142 -5.416 1.546 13.524 1.00 1.52 O ATOM 2080 CB VAL A 142 -2.382 2.067 13.195 1.00 1.08 C ATOM 2081 CG1 VAL A 142 -1.828 0.744 13.747 1.00 1.43 C ATOM 2082 CG2 VAL A 142 -1.222 2.911 12.628 1.00 1.34 C ATOM 0 H VAL A 142 -4.242 3.744 12.277 1.00 1.00 H new ATOM 0 HA VAL A 142 -3.038 1.178 11.347 1.00 1.00 H new ATOM 0 HB VAL A 142 -2.850 2.643 13.993 1.00 1.08 H new ATOM 0 HG11 VAL A 142 -1.058 0.954 14.489 1.00 1.43 H new ATOM 0 HG12 VAL A 142 -2.635 0.177 14.211 1.00 1.43 H new ATOM 0 HG13 VAL A 142 -1.398 0.162 12.932 1.00 1.43 H new ATOM 0 HG21 VAL A 142 -0.481 3.083 13.409 1.00 1.34 H new ATOM 0 HG22 VAL A 142 -0.757 2.379 11.798 1.00 1.34 H new ATOM 0 HG23 VAL A 142 -1.607 3.868 12.276 1.00 1.34 H new ATOM 2092 N LYS A 143 -4.732 -0.308 12.435 1.00 1.21 N ATOM 2093 CA LYS A 143 -5.785 -1.233 12.876 1.00 1.32 C ATOM 2094 C LYS A 143 -5.396 -2.723 12.649 1.00 1.32 C ATOM 2095 O LYS A 143 -5.351 -3.209 11.518 1.00 1.68 O ATOM 2096 CB LYS A 143 -7.086 -0.914 12.105 1.00 1.49 C ATOM 2097 CG LYS A 143 -8.148 -0.194 12.943 1.00 2.11 C ATOM 2098 CD LYS A 143 -9.465 -0.101 12.153 1.00 2.34 C ATOM 2099 CE LYS A 143 -10.656 0.256 13.051 1.00 3.21 C ATOM 2100 NZ LYS A 143 -10.979 -0.837 13.999 1.00 4.33 N ATOM 0 H LYS A 143 -4.045 -0.763 11.834 1.00 1.21 H new ATOM 0 HA LYS A 143 -5.927 -1.095 13.948 1.00 1.32 H new ATOM 0 HB2 LYS A 143 -6.841 -0.298 11.240 1.00 1.49 H new ATOM 0 HB3 LYS A 143 -7.508 -1.844 11.724 1.00 1.49 H new ATOM 0 HG2 LYS A 143 -8.312 -0.731 13.877 1.00 2.11 H new ATOM 0 HG3 LYS A 143 -7.800 0.805 13.206 1.00 2.11 H new ATOM 0 HD2 LYS A 143 -9.365 0.651 11.370 1.00 2.34 H new ATOM 0 HD3 LYS A 143 -9.658 -1.053 11.658 1.00 2.34 H new ATOM 0 HE2 LYS A 143 -10.431 1.165 13.608 1.00 3.21 H new ATOM 0 HE3 LYS A 143 -11.527 0.469 12.431 1.00 3.21 H new ATOM 0 HZ1 LYS A 143 -11.930 -0.686 14.392 1.00 4.33 H new ATOM 0 HZ2 LYS A 143 -10.952 -1.749 13.500 1.00 4.33 H new ATOM 0 HZ3 LYS A 143 -10.282 -0.844 14.771 1.00 4.33 H new ATOM 2114 N LYS A 144 -5.100 -3.496 13.707 1.00 1.58 N ATOM 2115 CA LYS A 144 -4.744 -4.934 13.598 1.00 1.72 C ATOM 2116 C LYS A 144 -5.951 -5.875 13.387 1.00 1.94 C ATOM 2117 O LYS A 144 -6.298 -6.680 14.248 1.00 3.44 O ATOM 2118 CB LYS A 144 -3.759 -5.384 14.704 1.00 2.86 C ATOM 2119 CG LYS A 144 -4.259 -5.631 16.145 1.00 3.97 C ATOM 2120 CD LYS A 144 -5.071 -4.476 16.736 1.00 4.65 C ATOM 2121 CE LYS A 144 -5.542 -4.793 18.160 1.00 5.79 C ATOM 2122 NZ LYS A 144 -6.925 -5.322 18.189 1.00 6.15 N ATOM 0 H LYS A 144 -5.099 -3.148 14.666 1.00 1.58 H new ATOM 0 HA LYS A 144 -4.192 -5.032 12.663 1.00 1.72 H new ATOM 0 HB2 LYS A 144 -3.292 -6.308 14.363 1.00 2.86 H new ATOM 0 HB3 LYS A 144 -2.973 -4.631 14.761 1.00 2.86 H new ATOM 0 HG2 LYS A 144 -4.871 -6.533 16.155 1.00 3.97 H new ATOM 0 HG3 LYS A 144 -3.400 -5.822 16.788 1.00 3.97 H new ATOM 0 HD2 LYS A 144 -4.464 -3.570 16.745 1.00 4.65 H new ATOM 0 HD3 LYS A 144 -5.935 -4.275 16.102 1.00 4.65 H new ATOM 0 HE2 LYS A 144 -4.867 -5.521 18.610 1.00 5.79 H new ATOM 0 HE3 LYS A 144 -5.488 -3.890 18.768 1.00 5.79 H new ATOM 0 HZ1 LYS A 144 -7.200 -5.522 19.172 1.00 6.15 H new ATOM 0 HZ2 LYS A 144 -7.575 -4.618 17.784 1.00 6.15 H new ATOM 0 HZ3 LYS A 144 -6.973 -6.198 17.631 1.00 6.15 H new ATOM 2136 N ASN A 145 -6.546 -5.817 12.195 1.00 2.17 N ATOM 2137 CA ASN A 145 -7.762 -6.539 11.787 1.00 3.32 C ATOM 2138 C ASN A 145 -7.612 -8.081 11.634 1.00 3.39 C ATOM 2139 O ASN A 145 -8.335 -8.707 10.861 1.00 4.29 O ATOM 2140 CB ASN A 145 -8.238 -5.847 10.495 1.00 4.36 C ATOM 2141 CG ASN A 145 -9.676 -6.141 10.097 1.00 5.52 C ATOM 2142 OD1 ASN A 145 -9.943 -6.573 8.981 1.00 5.84 O ATOM 2143 ND2 ASN A 145 -10.640 -5.846 10.947 1.00 6.64 N ATOM 0 H ASN A 145 -6.176 -5.235 11.444 1.00 2.17 H new ATOM 0 HA ASN A 145 -8.503 -6.478 12.584 1.00 3.32 H new ATOM 0 HB2 ASN A 145 -8.124 -4.770 10.615 1.00 4.36 H new ATOM 0 HB3 ASN A 145 -7.583 -6.148 9.678 1.00 4.36 H new ATOM 0 HD21 ASN A 145 -11.615 -5.977 10.678 1.00 6.64 H new ATOM 0 HD22 ASN A 145 -10.411 -5.487 11.874 1.00 6.64 H new ATOM 2150 N ILE A 146 -6.643 -8.690 12.337 1.00 2.98 N ATOM 2151 CA ILE A 146 -6.340 -10.133 12.381 1.00 3.37 C ATOM 2152 C ILE A 146 -5.853 -10.515 13.797 1.00 3.89 C ATOM 2153 O ILE A 146 -6.570 -11.211 14.506 1.00 4.72 O ATOM 2154 CB ILE A 146 -5.317 -10.577 11.287 1.00 3.35 C ATOM 2155 CG1 ILE A 146 -5.693 -10.247 9.819 1.00 3.94 C ATOM 2156 CG2 ILE A 146 -5.113 -12.104 11.380 1.00 4.54 C ATOM 2157 CD1 ILE A 146 -5.186 -8.882 9.330 1.00 4.40 C ATOM 0 H ILE A 146 -6.008 -8.154 12.929 1.00 2.98 H new ATOM 0 HA ILE A 146 -7.261 -10.671 12.157 1.00 3.37 H new ATOM 0 HB ILE A 146 -4.419 -9.999 11.505 1.00 3.35 H new ATOM 0 HG12 ILE A 146 -5.292 -11.025 9.169 1.00 3.94 H new ATOM 0 HG13 ILE A 146 -6.778 -10.276 9.718 1.00 3.94 H new ATOM 0 HG21 ILE A 146 -4.400 -12.423 10.620 1.00 4.54 H new ATOM 0 HG22 ILE A 146 -4.729 -12.360 12.367 1.00 4.54 H new ATOM 0 HG23 ILE A 146 -6.065 -12.609 11.219 1.00 4.54 H new ATOM 0 HD11 ILE A 146 -5.492 -8.730 8.295 1.00 4.40 H new ATOM 0 HD12 ILE A 146 -5.608 -8.093 9.953 1.00 4.40 H new ATOM 0 HD13 ILE A 146 -4.098 -8.853 9.395 1.00 4.40 H new ATOM 2169 N GLU A 147 -4.661 -10.033 14.172 1.00 3.64 N ATOM 2170 CA GLU A 147 -3.837 -10.360 15.353 1.00 4.18 C ATOM 2171 C GLU A 147 -3.135 -11.726 15.190 1.00 3.68 C ATOM 2172 O GLU A 147 -3.737 -12.778 15.395 1.00 4.66 O ATOM 2173 CB GLU A 147 -4.611 -10.230 16.683 1.00 6.18 C ATOM 2174 CG GLU A 147 -3.667 -10.326 17.904 1.00 7.01 C ATOM 2175 CD GLU A 147 -4.381 -10.189 19.259 1.00 8.90 C ATOM 2176 OE1 GLU A 147 -5.140 -9.211 19.438 1.00 9.63 O ATOM 2177 OE2 GLU A 147 -4.122 -11.047 20.146 1.00 10.03 O ATOM 0 H GLU A 147 -4.197 -9.329 13.597 1.00 3.64 H new ATOM 0 HA GLU A 147 -3.051 -9.607 15.410 1.00 4.18 H new ATOM 0 HB2 GLU A 147 -5.139 -9.277 16.705 1.00 6.18 H new ATOM 0 HB3 GLU A 147 -5.366 -11.014 16.743 1.00 6.18 H new ATOM 0 HG2 GLU A 147 -3.147 -11.284 17.874 1.00 7.01 H new ATOM 0 HG3 GLU A 147 -2.907 -9.548 17.825 1.00 7.01 H new ATOM 2184 N GLY A 148 -1.845 -11.705 14.817 1.00 3.17 N ATOM 2185 CA GLY A 148 -1.027 -12.910 14.634 1.00 4.40 C ATOM 2186 C GLY A 148 -0.548 -13.456 15.978 1.00 4.79 C ATOM 2187 O GLY A 148 -1.167 -14.356 16.548 1.00 5.40 O ATOM 0 H GLY A 148 -1.337 -10.840 14.633 1.00 3.17 H new ATOM 0 HA2 GLY A 148 -1.607 -13.672 14.114 1.00 4.40 H new ATOM 0 HA3 GLY A 148 -0.168 -12.678 14.004 1.00 4.40 H new ATOM 2191 N ARG A 149 0.547 -12.868 16.476 1.00 4.84 N ATOM 2192 CA ARG A 149 1.118 -12.976 17.839 1.00 5.45 C ATOM 2193 C ARG A 149 1.839 -14.308 18.076 1.00 7.00 C ATOM 2194 O ARG A 149 1.326 -15.150 18.834 1.00 7.85 O ATOM 2195 CB ARG A 149 0.059 -12.608 18.916 1.00 5.41 C ATOM 2196 CG ARG A 149 0.721 -12.141 20.228 1.00 6.09 C ATOM 2197 CD ARG A 149 -0.283 -11.705 21.313 1.00 6.61 C ATOM 2198 NE ARG A 149 0.418 -11.053 22.439 1.00 7.65 N ATOM 2199 CZ ARG A 149 -0.020 -10.783 23.653 1.00 8.60 C ATOM 2200 NH1 ARG A 149 -1.254 -10.974 24.026 1.00 8.86 N ATOM 2201 NH2 ARG A 149 0.815 -10.254 24.494 1.00 9.65 N ATOM 2202 OXT ARG A 149 2.947 -14.452 17.488 1.00 7.80 O ATOM 0 H ARG A 149 1.110 -12.250 15.891 1.00 4.84 H new ATOM 0 HA ARG A 149 1.910 -12.233 17.935 1.00 5.45 H new ATOM 0 HB2 ARG A 149 -0.590 -11.819 18.535 1.00 5.41 H new ATOM 0 HB3 ARG A 149 -0.574 -13.473 19.115 1.00 5.41 H new ATOM 0 HG2 ARG A 149 1.337 -12.950 20.621 1.00 6.09 H new ATOM 0 HG3 ARG A 149 1.390 -11.308 20.010 1.00 6.09 H new ATOM 0 HD2 ARG A 149 -1.013 -11.018 20.885 1.00 6.61 H new ATOM 0 HD3 ARG A 149 -0.835 -12.572 21.675 1.00 6.61 H new ATOM 0 HE ARG A 149 1.380 -10.771 22.250 1.00 7.65 H new ATOM 0 HH11 ARG A 149 -1.934 -11.350 23.365 1.00 8.86 H new ATOM 0 HH12 ARG A 149 -1.540 -10.748 24.979 1.00 8.86 H new ATOM 0 HH21 ARG A 149 1.774 -10.061 24.207 1.00 9.65 H new ATOM 0 HH22 ARG A 149 0.512 -10.031 25.442 1.00 9.65 H new TER 2216 ARG A 149