USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 808 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 76 THR OG1 : rot 168:sc= -2.13! USER MOD Set 1.2: A 79 ASN : amide:sc= -2.16! K(o=-4.3!,f=-2.6) USER MOD Set 2.1: A 53 SER OG : rot -110:sc= 0 USER MOD Set 2.2: A 58 MET CE :methyl -154:sc= -0.099 (180deg=-0.814) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.606 K(o=-0.61,f=-2.5!) USER MOD Single : A 26 ASN : amide:sc= -2.89! C(o=-2.9!,f=-5.9!) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00364) USER MOD Single : A 31 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0.441 (180deg=0.434) USER MOD Single : A 38 TYR OH : rot 128:sc= 0.0649 USER MOD Single : A 41 MET CE :methyl 151:sc= -2.98! (180deg=-5.45!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 84:sc= 0.918 USER MOD Single : A 48 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.46) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -151:sc= -0.973 (180deg=-3.2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.523 K(o=-0.52,f=-0.0032) USER MOD Single : A 68 GLN : amide:sc= -9.45! C(o=-9.5!,f=-3.6!) USER MOD Single : A 70 GLN : amide:sc= 0.0283 X(o=0.028,f=-0.31) USER MOD Single : A 74 HIS : no HE2:sc= -5.23! C(o=-5.2!,f=-5.4!) USER MOD Single : A 82 ASN : amide:sc= -0.236 K(o=-0.24,f=-2.3!) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -36:sc= -2.7 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 43:sc= 1.09 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.405 X(o=-0.4,f=-0.39) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.39 K(o=-0.39,f=-1.6!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.302 -10.470 -12.001 1.00 0.00 N ATOM 2 CA GLY A 1 2.228 -9.554 -13.127 1.00 0.00 C ATOM 3 C GLY A 1 2.634 -8.139 -12.711 1.00 0.00 C ATOM 4 O GLY A 1 1.778 -7.288 -12.474 1.00 0.00 O ATOM 0 H1 GLY A 1 2.022 -11.423 -12.310 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.276 -10.496 -11.638 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.661 -10.147 -11.248 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.881 -9.903 -13.927 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.213 -9.543 -13.525 1.00 0.00 H new ATOM 8 N SER A 2 3.940 -7.931 -12.635 1.00 0.00 N ATOM 9 CA SER A 2 4.470 -6.633 -12.251 1.00 0.00 C ATOM 10 C SER A 2 5.998 -6.685 -12.206 1.00 0.00 C ATOM 11 O SER A 2 6.576 -7.312 -11.319 1.00 0.00 O ATOM 12 CB SER A 2 3.913 -6.189 -10.897 1.00 0.00 C ATOM 13 OG SER A 2 4.550 -5.007 -10.420 1.00 0.00 O ATOM 0 H SER A 2 4.647 -8.639 -12.833 1.00 0.00 H new ATOM 0 HA SER A 2 4.160 -5.902 -12.998 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.841 -6.013 -10.986 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.045 -6.991 -10.170 1.00 0.00 H new ATOM 0 HG SER A 2 4.166 -4.755 -9.554 1.00 0.00 H new ATOM 19 N SER A 3 6.610 -6.016 -13.172 1.00 0.00 N ATOM 20 CA SER A 3 8.060 -5.977 -13.253 1.00 0.00 C ATOM 21 C SER A 3 8.496 -5.072 -14.407 1.00 0.00 C ATOM 22 O SER A 3 8.367 -5.442 -15.573 1.00 0.00 O ATOM 23 CB SER A 3 8.639 -7.382 -13.432 1.00 0.00 C ATOM 24 OG SER A 3 10.036 -7.352 -13.716 1.00 0.00 O ATOM 0 H SER A 3 6.128 -5.496 -13.905 1.00 0.00 H new ATOM 0 HA SER A 3 8.444 -5.571 -12.317 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.466 -7.964 -12.527 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.115 -7.889 -14.242 1.00 0.00 H new ATOM 0 HG SER A 3 10.368 -8.268 -13.822 1.00 0.00 H new ATOM 30 N GLY A 4 9.004 -3.904 -14.042 1.00 0.00 N ATOM 31 CA GLY A 4 9.459 -2.944 -15.033 1.00 0.00 C ATOM 32 C GLY A 4 9.107 -1.515 -14.613 1.00 0.00 C ATOM 33 O GLY A 4 8.492 -1.304 -13.569 1.00 0.00 O ATOM 0 H GLY A 4 9.110 -3.601 -13.074 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.537 -3.034 -15.163 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.002 -3.167 -15.997 1.00 0.00 H new ATOM 37 N SER A 5 9.513 -0.570 -15.449 1.00 0.00 N ATOM 38 CA SER A 5 9.248 0.833 -15.178 1.00 0.00 C ATOM 39 C SER A 5 9.995 1.272 -13.917 1.00 0.00 C ATOM 40 O SER A 5 9.750 0.748 -12.832 1.00 0.00 O ATOM 41 CB SER A 5 7.748 1.090 -15.023 1.00 0.00 C ATOM 42 OG SER A 5 7.147 1.498 -16.249 1.00 0.00 O ATOM 0 H SER A 5 10.023 -0.748 -16.314 1.00 0.00 H new ATOM 0 HA SER A 5 9.604 1.419 -16.026 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.260 0.184 -14.664 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.588 1.859 -14.267 1.00 0.00 H new ATOM 0 HG SER A 5 6.189 1.651 -16.109 1.00 0.00 H new ATOM 48 N SER A 6 10.892 2.230 -14.103 1.00 0.00 N ATOM 49 CA SER A 6 11.676 2.746 -12.994 1.00 0.00 C ATOM 50 C SER A 6 12.325 4.075 -13.386 1.00 0.00 C ATOM 51 O SER A 6 12.714 4.264 -14.537 1.00 0.00 O ATOM 52 CB SER A 6 12.745 1.740 -12.561 1.00 0.00 C ATOM 53 OG SER A 6 13.772 1.598 -13.539 1.00 0.00 O ATOM 0 H SER A 6 11.093 2.662 -15.005 1.00 0.00 H new ATOM 0 HA SER A 6 11.007 2.911 -12.149 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.185 2.062 -11.617 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.279 0.771 -12.381 1.00 0.00 H new ATOM 0 HG SER A 6 14.436 0.949 -13.225 1.00 0.00 H new ATOM 59 N GLY A 7 12.422 4.961 -12.405 1.00 0.00 N ATOM 60 CA GLY A 7 13.017 6.267 -12.633 1.00 0.00 C ATOM 61 C GLY A 7 12.096 7.383 -12.138 1.00 0.00 C ATOM 62 O GLY A 7 11.199 7.141 -11.332 1.00 0.00 O ATOM 0 H GLY A 7 12.099 4.800 -11.451 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.977 6.328 -12.120 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.216 6.399 -13.697 1.00 0.00 H new ATOM 66 N PRO A 8 12.356 8.614 -12.653 1.00 0.00 N ATOM 67 CA PRO A 8 11.561 9.769 -12.272 1.00 0.00 C ATOM 68 C PRO A 8 10.189 9.738 -12.948 1.00 0.00 C ATOM 69 O PRO A 8 10.078 9.990 -14.147 1.00 0.00 O ATOM 70 CB PRO A 8 12.396 10.973 -12.677 1.00 0.00 C ATOM 71 CG PRO A 8 13.410 10.457 -13.685 1.00 0.00 C ATOM 72 CD PRO A 8 13.411 8.939 -13.610 1.00 0.00 C ATOM 0 HA PRO A 8 11.341 9.794 -11.205 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.772 11.752 -13.115 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.894 11.412 -11.812 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.152 10.789 -14.690 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.402 10.851 -13.464 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.212 8.494 -14.585 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.377 8.560 -13.278 1.00 0.00 H new ATOM 80 N ASP A 9 9.178 9.426 -12.150 1.00 0.00 N ATOM 81 CA ASP A 9 7.818 9.358 -12.657 1.00 0.00 C ATOM 82 C ASP A 9 6.851 9.174 -11.486 1.00 0.00 C ATOM 83 O ASP A 9 7.270 8.855 -10.374 1.00 0.00 O ATOM 84 CB ASP A 9 7.643 8.171 -13.606 1.00 0.00 C ATOM 85 CG ASP A 9 7.005 8.510 -14.955 1.00 0.00 C ATOM 86 OD1 ASP A 9 7.536 9.427 -15.618 1.00 0.00 O ATOM 87 OD2 ASP A 9 6.002 7.845 -15.292 1.00 0.00 O ATOM 0 H ASP A 9 9.274 9.218 -11.156 1.00 0.00 H new ATOM 0 HA ASP A 9 7.612 10.283 -13.195 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.620 7.722 -13.786 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.031 7.417 -13.111 1.00 0.00 H new ATOM 92 N VAL A 10 5.575 9.383 -11.775 1.00 0.00 N ATOM 93 CA VAL A 10 4.545 9.245 -10.760 1.00 0.00 C ATOM 94 C VAL A 10 5.034 9.875 -9.454 1.00 0.00 C ATOM 95 O VAL A 10 5.120 9.200 -8.429 1.00 0.00 O ATOM 96 CB VAL A 10 4.157 7.773 -10.605 1.00 0.00 C ATOM 97 CG1 VAL A 10 5.374 6.922 -10.234 1.00 0.00 C ATOM 98 CG2 VAL A 10 3.037 7.606 -9.577 1.00 0.00 C ATOM 0 H VAL A 10 5.231 9.647 -12.698 1.00 0.00 H new ATOM 0 HA VAL A 10 3.641 9.776 -11.059 1.00 0.00 H new ATOM 0 HB VAL A 10 3.783 7.422 -11.567 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.071 5.880 -10.130 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.128 7.004 -11.017 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.791 7.275 -9.291 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.781 6.550 -9.486 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.371 7.982 -8.610 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.160 8.166 -9.901 1.00 0.00 H new ATOM 108 N ARG A 11 5.342 11.161 -9.533 1.00 0.00 N ATOM 109 CA ARG A 11 5.820 11.889 -8.370 1.00 0.00 C ATOM 110 C ARG A 11 4.640 12.374 -7.526 1.00 0.00 C ATOM 111 O ARG A 11 3.805 13.141 -8.003 1.00 0.00 O ATOM 112 CB ARG A 11 6.670 13.092 -8.785 1.00 0.00 C ATOM 113 CG ARG A 11 8.122 12.677 -9.035 1.00 0.00 C ATOM 114 CD ARG A 11 8.368 12.411 -10.521 1.00 0.00 C ATOM 115 NE ARG A 11 9.581 13.130 -10.970 1.00 0.00 N ATOM 116 CZ ARG A 11 9.590 14.407 -11.377 1.00 0.00 C ATOM 117 NH1 ARG A 11 8.451 15.112 -11.395 1.00 0.00 N ATOM 118 NH2 ARG A 11 10.738 14.978 -11.767 1.00 0.00 N ATOM 0 H ARG A 11 5.270 11.718 -10.385 1.00 0.00 H new ATOM 0 HA ARG A 11 6.436 11.208 -7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.256 13.541 -9.688 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.635 13.853 -8.006 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.793 13.462 -8.686 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.352 11.781 -8.459 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.485 11.341 -10.693 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.506 12.735 -11.104 1.00 0.00 H new ATOM 0 HE ARG A 11 10.466 12.622 -10.970 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.577 14.677 -11.099 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.458 16.084 -11.705 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.605 14.441 -11.754 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.745 15.950 -12.077 1.00 0.00 H new ATOM 132 N ARG A 12 4.609 11.907 -6.286 1.00 0.00 N ATOM 133 CA ARG A 12 3.545 12.284 -5.371 1.00 0.00 C ATOM 134 C ARG A 12 3.641 13.772 -5.030 1.00 0.00 C ATOM 135 O ARG A 12 4.292 14.149 -4.056 1.00 0.00 O ATOM 136 CB ARG A 12 3.614 11.466 -4.080 1.00 0.00 C ATOM 137 CG ARG A 12 3.589 9.966 -4.380 1.00 0.00 C ATOM 138 CD ARG A 12 4.293 9.174 -3.275 1.00 0.00 C ATOM 139 NE ARG A 12 5.412 8.393 -3.847 1.00 0.00 N ATOM 140 CZ ARG A 12 6.646 8.879 -4.040 1.00 0.00 C ATOM 141 NH1 ARG A 12 6.926 10.147 -3.709 1.00 0.00 N ATOM 142 NH2 ARG A 12 7.600 8.098 -4.565 1.00 0.00 N ATOM 0 H ARG A 12 5.304 11.271 -5.894 1.00 0.00 H new ATOM 0 HA ARG A 12 2.595 12.082 -5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.524 11.716 -3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.774 11.726 -3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.557 9.627 -4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.076 9.775 -5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.667 9.855 -2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.584 8.505 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 12 5.233 7.424 -4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.200 10.742 -3.310 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.865 10.517 -3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.387 7.133 -4.818 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.539 8.468 -4.712 1.00 0.00 H new ATOM 156 N ASP A 13 2.983 14.579 -5.849 1.00 0.00 N ATOM 157 CA ASP A 13 2.986 16.017 -5.646 1.00 0.00 C ATOM 158 C ASP A 13 1.637 16.593 -6.083 1.00 0.00 C ATOM 159 O ASP A 13 1.013 17.351 -5.342 1.00 0.00 O ATOM 160 CB ASP A 13 4.079 16.689 -6.480 1.00 0.00 C ATOM 161 CG ASP A 13 4.007 18.217 -6.530 1.00 0.00 C ATOM 162 OD1 ASP A 13 4.084 18.824 -5.440 1.00 0.00 O ATOM 163 OD2 ASP A 13 3.877 18.742 -7.657 1.00 0.00 O ATOM 0 H ASP A 13 2.444 14.264 -6.655 1.00 0.00 H new ATOM 0 HA ASP A 13 3.170 16.207 -4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.050 16.399 -6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.026 16.304 -7.498 1.00 0.00 H new ATOM 168 N LYS A 14 1.228 16.211 -7.284 1.00 0.00 N ATOM 169 CA LYS A 14 -0.035 16.679 -7.828 1.00 0.00 C ATOM 170 C LYS A 14 -1.166 15.776 -7.331 1.00 0.00 C ATOM 171 O LYS A 14 -0.917 14.671 -6.851 1.00 0.00 O ATOM 172 CB LYS A 14 0.044 16.783 -9.352 1.00 0.00 C ATOM 173 CG LYS A 14 0.567 18.155 -9.782 1.00 0.00 C ATOM 174 CD LYS A 14 -0.230 18.698 -10.970 1.00 0.00 C ATOM 175 CE LYS A 14 0.650 19.573 -11.866 1.00 0.00 C ATOM 176 NZ LYS A 14 0.140 20.962 -11.896 1.00 0.00 N ATOM 0 H LYS A 14 1.749 15.583 -7.896 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.252 17.687 -7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.699 16.003 -9.740 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.943 16.615 -9.783 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.501 18.852 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.621 18.079 -10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.635 17.869 -11.550 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.078 19.279 -10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.676 19.564 -11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.670 19.165 -12.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.748 21.542 -12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.831 20.967 -12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.144 21.354 -10.933 1.00 0.00 H new ATOM 190 N PRO A 15 -2.416 16.293 -7.466 1.00 0.00 N ATOM 191 CA PRO A 15 -3.586 15.546 -7.037 1.00 0.00 C ATOM 192 C PRO A 15 -3.908 14.419 -8.020 1.00 0.00 C ATOM 193 O PRO A 15 -3.987 14.646 -9.226 1.00 0.00 O ATOM 194 CB PRO A 15 -4.696 16.579 -6.933 1.00 0.00 C ATOM 195 CG PRO A 15 -4.232 17.774 -7.750 1.00 0.00 C ATOM 196 CD PRO A 15 -2.748 17.599 -8.030 1.00 0.00 C ATOM 0 HA PRO A 15 -3.437 15.044 -6.081 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.635 16.183 -7.319 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.872 16.860 -5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.792 17.839 -8.683 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.411 18.701 -7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.540 17.633 -9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.161 18.392 -7.566 1.00 0.00 H new ATOM 204 N VAL A 16 -4.086 13.228 -7.467 1.00 0.00 N ATOM 205 CA VAL A 16 -4.398 12.065 -8.281 1.00 0.00 C ATOM 206 C VAL A 16 -5.409 12.458 -9.359 1.00 0.00 C ATOM 207 O VAL A 16 -6.107 13.462 -9.224 1.00 0.00 O ATOM 208 CB VAL A 16 -4.887 10.920 -7.391 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.718 10.246 -6.671 1.00 0.00 C ATOM 210 CG2 VAL A 16 -5.936 11.413 -6.391 1.00 0.00 C ATOM 0 H VAL A 16 -4.020 13.043 -6.466 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.504 11.704 -8.790 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.358 10.175 -8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.094 9.436 -6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.021 9.843 -7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.204 10.978 -6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.267 10.580 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.500 12.186 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.789 11.824 -6.931 1.00 0.00 H new ATOM 220 N THR A 17 -5.455 11.647 -10.406 1.00 0.00 N ATOM 221 CA THR A 17 -6.370 11.898 -11.507 1.00 0.00 C ATOM 222 C THR A 17 -7.143 10.626 -11.859 1.00 0.00 C ATOM 223 O THR A 17 -6.808 9.541 -11.385 1.00 0.00 O ATOM 224 CB THR A 17 -5.558 12.460 -12.676 1.00 0.00 C ATOM 225 OG1 THR A 17 -4.666 11.403 -13.019 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.635 13.604 -12.253 1.00 0.00 C ATOM 0 H THR A 17 -4.874 10.816 -10.515 1.00 0.00 H new ATOM 0 HA THR A 17 -7.126 12.634 -11.234 1.00 0.00 H new ATOM 0 HB THR A 17 -6.237 12.811 -13.453 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.102 11.682 -13.771 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.083 13.965 -13.120 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.230 14.417 -11.837 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.933 13.246 -11.500 1.00 0.00 H new ATOM 234 N GLY A 18 -8.162 10.801 -12.687 1.00 0.00 N ATOM 235 CA GLY A 18 -8.985 9.680 -13.108 1.00 0.00 C ATOM 236 C GLY A 18 -8.120 8.475 -13.485 1.00 0.00 C ATOM 237 O GLY A 18 -8.525 7.330 -13.290 1.00 0.00 O ATOM 0 H GLY A 18 -8.437 11.702 -13.078 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.669 9.404 -12.305 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.597 9.974 -13.961 1.00 0.00 H new ATOM 241 N GLU A 19 -6.945 8.775 -14.019 1.00 0.00 N ATOM 242 CA GLU A 19 -6.019 7.731 -14.426 1.00 0.00 C ATOM 243 C GLU A 19 -5.531 6.950 -13.204 1.00 0.00 C ATOM 244 O GLU A 19 -5.540 5.720 -13.205 1.00 0.00 O ATOM 245 CB GLU A 19 -4.843 8.316 -15.209 1.00 0.00 C ATOM 246 CG GLU A 19 -4.300 7.305 -16.220 1.00 0.00 C ATOM 247 CD GLU A 19 -4.116 7.949 -17.596 1.00 0.00 C ATOM 248 OE1 GLU A 19 -5.130 8.037 -18.321 1.00 0.00 O ATOM 249 OE2 GLU A 19 -2.966 8.339 -17.891 1.00 0.00 O ATOM 0 H GLU A 19 -6.613 9.726 -14.179 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.545 7.042 -15.087 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.161 9.220 -15.728 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.051 8.607 -14.519 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.346 6.911 -15.869 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.985 6.461 -16.299 1.00 0.00 H new ATOM 256 N GLN A 20 -5.115 7.697 -12.191 1.00 0.00 N ATOM 257 CA GLN A 20 -4.624 7.090 -10.966 1.00 0.00 C ATOM 258 C GLN A 20 -5.791 6.557 -10.133 1.00 0.00 C ATOM 259 O GLN A 20 -5.738 5.435 -9.630 1.00 0.00 O ATOM 260 CB GLN A 20 -3.784 8.083 -10.161 1.00 0.00 C ATOM 261 CG GLN A 20 -2.432 8.330 -10.833 1.00 0.00 C ATOM 262 CD GLN A 20 -1.326 8.513 -9.792 1.00 0.00 C ATOM 263 OE1 GLN A 20 -1.457 8.139 -8.638 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.233 9.108 -10.262 1.00 0.00 N ATOM 0 H GLN A 20 -5.108 8.717 -12.194 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.980 6.251 -11.232 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.323 9.025 -10.064 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.628 7.699 -9.153 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.187 7.491 -11.485 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.492 9.217 -11.464 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.189 9.396 -11.240 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.562 9.276 -9.645 1.00 0.00 H new ATOM 273 N ILE A 21 -6.817 7.385 -10.012 1.00 0.00 N ATOM 274 CA ILE A 21 -7.995 7.011 -9.248 1.00 0.00 C ATOM 275 C ILE A 21 -8.353 5.555 -9.551 1.00 0.00 C ATOM 276 O ILE A 21 -8.183 4.681 -8.702 1.00 0.00 O ATOM 277 CB ILE A 21 -9.139 7.993 -9.512 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.892 9.326 -8.802 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.487 7.380 -9.127 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.202 10.088 -8.596 1.00 0.00 C ATOM 0 H ILE A 21 -6.857 8.314 -10.430 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.791 7.074 -8.179 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.172 8.199 -10.582 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.416 9.146 -7.838 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.203 9.933 -9.389 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.283 8.098 -9.324 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.658 6.478 -9.715 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.482 7.126 -8.067 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.998 11.031 -8.089 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.663 10.288 -9.563 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.880 9.489 -7.988 1.00 0.00 H new ATOM 292 N GLU A 22 -8.841 5.339 -10.764 1.00 0.00 N ATOM 293 CA GLU A 22 -9.224 4.003 -11.190 1.00 0.00 C ATOM 294 C GLU A 22 -8.218 2.973 -10.672 1.00 0.00 C ATOM 295 O GLU A 22 -8.605 1.958 -10.094 1.00 0.00 O ATOM 296 CB GLU A 22 -9.351 3.929 -12.712 1.00 0.00 C ATOM 297 CG GLU A 22 -8.160 4.604 -13.396 1.00 0.00 C ATOM 298 CD GLU A 22 -7.258 3.569 -14.072 1.00 0.00 C ATOM 299 OE1 GLU A 22 -6.615 2.802 -13.323 1.00 0.00 O ATOM 300 OE2 GLU A 22 -7.230 3.570 -15.321 1.00 0.00 O ATOM 0 H GLU A 22 -8.980 6.067 -11.465 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.201 3.773 -10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.412 2.887 -13.025 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.277 4.411 -13.027 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.518 5.319 -14.137 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.585 5.168 -12.661 1.00 0.00 H new ATOM 307 N VAL A 23 -6.947 3.268 -10.899 1.00 0.00 N ATOM 308 CA VAL A 23 -5.883 2.380 -10.463 1.00 0.00 C ATOM 309 C VAL A 23 -5.992 2.162 -8.953 1.00 0.00 C ATOM 310 O VAL A 23 -6.082 1.026 -8.490 1.00 0.00 O ATOM 311 CB VAL A 23 -4.525 2.941 -10.889 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.418 2.478 -9.940 1.00 0.00 C ATOM 313 CG2 VAL A 23 -4.202 2.558 -12.335 1.00 0.00 C ATOM 0 H VAL A 23 -6.630 4.110 -11.379 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.981 1.405 -10.940 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.581 4.028 -10.834 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.463 2.891 -10.266 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.637 2.823 -8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.364 1.389 -9.948 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.231 2.969 -12.612 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.175 1.472 -12.427 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.969 2.959 -12.998 1.00 0.00 H new ATOM 323 N PHE A 24 -5.983 3.270 -8.225 1.00 0.00 N ATOM 324 CA PHE A 24 -6.080 3.215 -6.777 1.00 0.00 C ATOM 325 C PHE A 24 -7.256 2.339 -6.339 1.00 0.00 C ATOM 326 O PHE A 24 -7.091 1.437 -5.519 1.00 0.00 O ATOM 327 CB PHE A 24 -6.316 4.645 -6.290 1.00 0.00 C ATOM 328 CG PHE A 24 -5.440 5.051 -5.103 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.749 4.620 -3.850 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.352 5.843 -5.300 1.00 0.00 C ATOM 331 CE1 PHE A 24 -4.936 4.997 -2.749 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.539 6.220 -4.198 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.848 5.789 -2.946 1.00 0.00 C ATOM 0 H PHE A 24 -5.910 4.211 -8.612 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.168 2.788 -6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.134 5.334 -7.115 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.364 4.754 -6.009 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.613 3.991 -3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.106 6.185 -6.294 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.182 4.655 -1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.675 6.849 -4.355 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.230 6.075 -2.108 1.00 0.00 H new ATOM 343 N ALA A 25 -8.416 2.635 -6.906 1.00 0.00 N ATOM 344 CA ALA A 25 -9.619 1.886 -6.584 1.00 0.00 C ATOM 345 C ALA A 25 -9.276 0.399 -6.480 1.00 0.00 C ATOM 346 O ALA A 25 -9.357 -0.186 -5.401 1.00 0.00 O ATOM 347 CB ALA A 25 -10.691 2.165 -7.640 1.00 0.00 C ATOM 0 H ALA A 25 -8.549 3.383 -7.586 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.021 2.199 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.594 1.604 -7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.919 3.231 -7.654 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.324 1.860 -8.620 1.00 0.00 H new ATOM 353 N ASN A 26 -8.899 -0.170 -7.616 1.00 0.00 N ATOM 354 CA ASN A 26 -8.543 -1.577 -7.666 1.00 0.00 C ATOM 355 C ASN A 26 -7.740 -1.941 -6.415 1.00 0.00 C ATOM 356 O ASN A 26 -8.093 -2.875 -5.697 1.00 0.00 O ATOM 357 CB ASN A 26 -7.676 -1.883 -8.889 1.00 0.00 C ATOM 358 CG ASN A 26 -8.456 -1.651 -10.185 1.00 0.00 C ATOM 359 OD1 ASN A 26 -9.155 -2.518 -10.683 1.00 0.00 O ATOM 360 ND2 ASN A 26 -8.297 -0.436 -10.701 1.00 0.00 N ATOM 0 H ASN A 26 -8.833 0.319 -8.509 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.465 -2.156 -7.723 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.788 -1.252 -8.877 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.333 -2.917 -8.847 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.775 -0.182 -11.565 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.697 0.243 -10.232 1.00 0.00 H new ATOM 367 N LYS A 27 -6.676 -1.183 -6.193 1.00 0.00 N ATOM 368 CA LYS A 27 -5.821 -1.414 -5.041 1.00 0.00 C ATOM 369 C LYS A 27 -6.672 -1.412 -3.770 1.00 0.00 C ATOM 370 O LYS A 27 -6.744 -2.417 -3.065 1.00 0.00 O ATOM 371 CB LYS A 27 -4.673 -0.402 -5.015 1.00 0.00 C ATOM 372 CG LYS A 27 -3.824 -0.502 -6.284 1.00 0.00 C ATOM 373 CD LYS A 27 -3.188 0.846 -6.626 1.00 0.00 C ATOM 374 CE LYS A 27 -1.666 0.786 -6.485 1.00 0.00 C ATOM 375 NZ LYS A 27 -1.074 0.000 -7.591 1.00 0.00 N ATOM 0 H LYS A 27 -6.387 -0.409 -6.791 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.350 -2.395 -5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.075 0.607 -4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.048 -0.579 -4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.044 -1.251 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.444 -0.837 -7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.451 1.128 -7.645 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.588 1.618 -5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.254 1.795 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.401 0.336 -5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.037 0.026 -7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.401 -0.985 -7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.368 0.407 -8.502 1.00 0.00 H new ATOM 389 N LEU A 28 -7.295 -0.270 -3.516 1.00 0.00 N ATOM 390 CA LEU A 28 -8.139 -0.124 -2.342 1.00 0.00 C ATOM 391 C LEU A 28 -8.925 -1.418 -2.119 1.00 0.00 C ATOM 392 O LEU A 28 -8.701 -2.123 -1.136 1.00 0.00 O ATOM 393 CB LEU A 28 -9.023 1.118 -2.469 1.00 0.00 C ATOM 394 CG LEU A 28 -9.525 1.721 -1.156 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.399 1.804 -0.124 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.186 3.081 -1.394 1.00 0.00 C ATOM 0 H LEU A 28 -7.232 0.562 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.529 0.036 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.464 1.884 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.887 0.863 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.288 1.059 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.783 2.236 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.014 0.804 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.596 2.431 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.534 3.488 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.462 3.765 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.033 2.961 -2.069 1.00 0.00 H new ATOM 408 N GLY A 29 -9.829 -1.691 -3.048 1.00 0.00 N ATOM 409 CA GLY A 29 -10.649 -2.887 -2.965 1.00 0.00 C ATOM 410 C GLY A 29 -11.822 -2.683 -2.004 1.00 0.00 C ATOM 411 O GLY A 29 -12.759 -1.947 -2.310 1.00 0.00 O ATOM 0 H GLY A 29 -10.012 -1.104 -3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.026 -3.143 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.041 -3.727 -2.629 1.00 0.00 H new ATOM 415 N GLU A 30 -11.732 -3.347 -0.861 1.00 0.00 N ATOM 416 CA GLU A 30 -12.773 -3.248 0.147 1.00 0.00 C ATOM 417 C GLU A 30 -12.305 -2.369 1.309 1.00 0.00 C ATOM 418 O GLU A 30 -13.018 -2.212 2.299 1.00 0.00 O ATOM 419 CB GLU A 30 -13.192 -4.633 0.641 1.00 0.00 C ATOM 420 CG GLU A 30 -12.078 -5.281 1.466 1.00 0.00 C ATOM 421 CD GLU A 30 -12.658 -6.168 2.570 1.00 0.00 C ATOM 422 OE1 GLU A 30 -13.306 -7.174 2.207 1.00 0.00 O ATOM 423 OE2 GLU A 30 -12.440 -5.821 3.751 1.00 0.00 O ATOM 0 H GLU A 30 -10.953 -3.956 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.647 -2.781 -0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.095 -4.550 1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.436 -5.268 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.438 -5.876 0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.451 -4.507 1.908 1.00 0.00 H new ATOM 430 N GLN A 31 -11.110 -1.820 1.149 1.00 0.00 N ATOM 431 CA GLN A 31 -10.539 -0.961 2.173 1.00 0.00 C ATOM 432 C GLN A 31 -10.971 0.490 1.951 1.00 0.00 C ATOM 433 O GLN A 31 -10.477 1.398 2.618 1.00 0.00 O ATOM 434 CB GLN A 31 -9.014 -1.081 2.200 1.00 0.00 C ATOM 435 CG GLN A 31 -8.564 -2.111 3.237 1.00 0.00 C ATOM 436 CD GLN A 31 -7.399 -2.950 2.707 1.00 0.00 C ATOM 437 OE1 GLN A 31 -6.712 -2.581 1.768 1.00 0.00 O ATOM 438 NE2 GLN A 31 -7.216 -4.095 3.358 1.00 0.00 N ATOM 0 H GLN A 31 -10.522 -1.953 0.326 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.914 -1.286 3.143 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.651 -1.370 1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.573 -0.111 2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.263 -1.603 4.153 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.399 -2.763 3.494 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.828 -4.343 4.136 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.464 -4.725 3.080 1.00 0.00 H new ATOM 447 N TRP A 32 -11.889 0.663 1.011 1.00 0.00 N ATOM 448 CA TRP A 32 -12.394 1.988 0.693 1.00 0.00 C ATOM 449 C TRP A 32 -13.214 2.481 1.887 1.00 0.00 C ATOM 450 O TRP A 32 -13.142 3.654 2.252 1.00 0.00 O ATOM 451 CB TRP A 32 -13.190 1.972 -0.613 1.00 0.00 C ATOM 452 CG TRP A 32 -14.542 1.263 -0.510 1.00 0.00 C ATOM 453 CD1 TRP A 32 -14.821 -0.022 -0.764 1.00 0.00 C ATOM 454 CD2 TRP A 32 -15.795 1.857 -0.111 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.157 -0.300 -0.560 1.00 0.00 N ATOM 456 CE2 TRP A 32 -16.769 0.879 -0.150 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.097 3.176 0.270 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.108 1.117 0.181 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.440 3.398 0.597 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.432 2.424 0.563 1.00 0.00 C ATOM 0 H TRP A 32 -12.296 -0.092 0.459 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.572 2.684 0.524 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.354 2.999 -0.939 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.593 1.484 -1.384 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.092 -0.750 -1.088 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.612 -1.204 -0.687 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.352 3.957 0.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -18.851 0.334 0.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.726 4.396 0.897 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.448 2.675 0.830 1.00 0.00 H new ATOM 471 N LYS A 33 -13.974 1.561 2.462 1.00 0.00 N ATOM 472 CA LYS A 33 -14.807 1.888 3.607 1.00 0.00 C ATOM 473 C LYS A 33 -13.915 2.160 4.820 1.00 0.00 C ATOM 474 O LYS A 33 -14.388 2.643 5.848 1.00 0.00 O ATOM 475 CB LYS A 33 -15.847 0.791 3.843 1.00 0.00 C ATOM 476 CG LYS A 33 -17.234 1.393 4.081 1.00 0.00 C ATOM 477 CD LYS A 33 -18.294 0.297 4.201 1.00 0.00 C ATOM 478 CE LYS A 33 -19.396 0.705 5.182 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.381 -0.389 5.338 1.00 0.00 N ATOM 0 H LYS A 33 -14.031 0.589 2.157 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.375 2.799 3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.879 0.124 2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.556 0.188 4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.222 1.994 4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.490 2.063 3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.729 0.098 3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.828 -0.629 4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.958 0.949 6.150 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.896 1.604 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.157 -0.072 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.762 -0.649 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.917 -1.216 5.765 1.00 0.00 H new ATOM 493 N ILE A 34 -12.639 1.840 4.660 1.00 0.00 N ATOM 494 CA ILE A 34 -11.677 2.044 5.729 1.00 0.00 C ATOM 495 C ILE A 34 -11.005 3.407 5.551 1.00 0.00 C ATOM 496 O ILE A 34 -10.495 3.982 6.512 1.00 0.00 O ATOM 497 CB ILE A 34 -10.690 0.876 5.792 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.419 -0.443 6.060 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.591 1.142 6.822 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.460 -1.631 5.955 1.00 0.00 C ATOM 0 H ILE A 34 -12.249 1.441 3.806 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.180 2.059 6.696 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.205 0.785 4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.867 -0.420 7.053 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.233 -0.564 5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.903 0.297 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.046 2.045 6.548 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.039 1.274 7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.003 -2.556 6.150 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.032 -1.666 4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.660 -1.519 6.687 1.00 0.00 H new ATOM 512 N LEU A 35 -11.025 3.884 4.316 1.00 0.00 N ATOM 513 CA LEU A 35 -10.425 5.169 3.999 1.00 0.00 C ATOM 514 C LEU A 35 -11.503 6.253 4.032 1.00 0.00 C ATOM 515 O LEU A 35 -11.192 7.443 4.028 1.00 0.00 O ATOM 516 CB LEU A 35 -9.667 5.094 2.672 1.00 0.00 C ATOM 517 CG LEU A 35 -8.144 4.996 2.773 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.478 5.452 1.474 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.624 5.770 3.987 1.00 0.00 C ATOM 0 H LEU A 35 -11.448 3.404 3.522 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.681 5.437 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.031 4.229 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.916 5.977 2.084 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.878 3.949 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.395 5.372 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.815 4.821 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.749 6.488 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.538 5.684 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.901 6.820 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.062 5.358 4.896 1.00 0.00 H new ATOM 531 N ALA A 36 -12.749 5.803 4.063 1.00 0.00 N ATOM 532 CA ALA A 36 -13.875 6.720 4.097 1.00 0.00 C ATOM 533 C ALA A 36 -13.830 7.530 5.394 1.00 0.00 C ATOM 534 O ALA A 36 -13.919 8.757 5.367 1.00 0.00 O ATOM 535 CB ALA A 36 -15.179 5.934 3.946 1.00 0.00 C ATOM 0 H ALA A 36 -13.003 4.815 4.065 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.820 7.424 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.024 6.622 3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.174 5.400 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.269 5.218 4.763 1.00 0.00 H new ATOM 541 N PRO A 37 -13.687 6.793 6.527 1.00 0.00 N ATOM 542 CA PRO A 37 -13.629 7.430 7.832 1.00 0.00 C ATOM 543 C PRO A 37 -12.271 8.099 8.055 1.00 0.00 C ATOM 544 O PRO A 37 -12.025 8.674 9.114 1.00 0.00 O ATOM 545 CB PRO A 37 -13.913 6.316 8.827 1.00 0.00 C ATOM 546 CG PRO A 37 -13.660 5.016 8.080 1.00 0.00 C ATOM 547 CD PRO A 37 -13.578 5.339 6.597 1.00 0.00 C ATOM 0 HA PRO A 37 -14.355 8.236 7.939 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.265 6.397 9.700 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.941 6.366 9.187 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.734 4.553 8.422 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.462 4.303 8.272 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.638 4.991 6.168 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.381 4.855 6.041 1.00 0.00 H new ATOM 555 N TYR A 38 -11.425 8.001 7.040 1.00 0.00 N ATOM 556 CA TYR A 38 -10.099 8.589 7.112 1.00 0.00 C ATOM 557 C TYR A 38 -9.896 9.622 6.002 1.00 0.00 C ATOM 558 O TYR A 38 -8.837 10.242 5.911 1.00 0.00 O ATOM 559 CB TYR A 38 -9.114 7.437 6.907 1.00 0.00 C ATOM 560 CG TYR A 38 -8.714 6.722 8.199 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.504 5.706 8.699 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.563 7.092 8.865 1.00 0.00 C ATOM 563 CE1 TYR A 38 -9.127 5.033 9.915 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.187 6.420 10.081 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.987 5.423 10.546 1.00 0.00 C ATOM 566 OH TYR A 38 -7.632 4.788 11.695 1.00 0.00 O ATOM 0 H TYR A 38 -11.633 7.523 6.163 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.956 9.096 8.066 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.557 6.711 6.225 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.216 7.822 6.424 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.405 5.416 8.178 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.944 7.886 8.474 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.736 4.237 10.317 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.290 6.701 10.612 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.703 4.482 11.626 1.00 0.00 H new ATOM 576 N LEU A 39 -10.928 9.775 5.185 1.00 0.00 N ATOM 577 CA LEU A 39 -10.876 10.722 4.084 1.00 0.00 C ATOM 578 C LEU A 39 -11.716 11.952 4.434 1.00 0.00 C ATOM 579 O LEU A 39 -11.741 12.925 3.683 1.00 0.00 O ATOM 580 CB LEU A 39 -11.291 10.046 2.776 1.00 0.00 C ATOM 581 CG LEU A 39 -10.151 9.538 1.891 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.091 8.816 2.725 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.685 8.660 0.758 1.00 0.00 C ATOM 0 H LEU A 39 -11.805 9.259 5.263 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.854 11.068 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.941 9.204 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.886 10.753 2.198 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.667 10.399 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.292 8.465 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.680 9.503 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.545 7.965 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.854 8.312 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.209 7.802 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.373 9.239 0.142 1.00 0.00 H new ATOM 595 N GLU A 40 -12.384 11.867 5.575 1.00 0.00 N ATOM 596 CA GLU A 40 -13.223 12.960 6.035 1.00 0.00 C ATOM 597 C GLU A 40 -14.476 13.070 5.163 1.00 0.00 C ATOM 598 O GLU A 40 -14.815 14.153 4.690 1.00 0.00 O ATOM 599 CB GLU A 40 -12.448 14.279 6.048 1.00 0.00 C ATOM 600 CG GLU A 40 -11.080 14.104 6.712 1.00 0.00 C ATOM 601 CD GLU A 40 -11.204 14.127 8.236 1.00 0.00 C ATOM 602 OE1 GLU A 40 -11.688 15.158 8.751 1.00 0.00 O ATOM 603 OE2 GLU A 40 -10.812 13.113 8.853 1.00 0.00 O ATOM 0 H GLU A 40 -12.361 11.057 6.195 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.532 12.748 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.318 14.639 5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.021 15.037 6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.635 13.161 6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.409 14.899 6.386 1.00 0.00 H new ATOM 610 N MET A 41 -15.131 11.933 4.978 1.00 0.00 N ATOM 611 CA MET A 41 -16.339 11.887 4.172 1.00 0.00 C ATOM 612 C MET A 41 -17.588 11.945 5.054 1.00 0.00 C ATOM 613 O MET A 41 -17.497 12.220 6.249 1.00 0.00 O ATOM 614 CB MET A 41 -16.355 10.598 3.348 1.00 0.00 C ATOM 615 CG MET A 41 -15.041 10.420 2.585 1.00 0.00 C ATOM 616 SD MET A 41 -14.773 11.808 1.495 1.00 0.00 S ATOM 617 CE MET A 41 -15.193 11.058 -0.070 1.00 0.00 C ATOM 0 H MET A 41 -14.848 11.036 5.373 1.00 0.00 H new ATOM 0 HA MET A 41 -16.344 12.752 3.509 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.517 9.744 4.005 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.188 10.622 2.645 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.212 10.334 3.288 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.068 9.495 2.009 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.579 11.820 -0.747 1.00 0.00 H new ATOM 0 HE2 MET A 41 -14.304 10.603 -0.506 1.00 0.00 H new ATOM 0 HE3 MET A 41 -15.953 10.293 0.086 1.00 0.00 H new ATOM 627 N LYS A 42 -18.727 11.682 4.429 1.00 0.00 N ATOM 628 CA LYS A 42 -19.993 11.700 5.141 1.00 0.00 C ATOM 629 C LYS A 42 -20.531 10.273 5.254 1.00 0.00 C ATOM 630 O LYS A 42 -20.388 9.477 4.327 1.00 0.00 O ATOM 631 CB LYS A 42 -20.968 12.674 4.476 1.00 0.00 C ATOM 632 CG LYS A 42 -20.327 14.051 4.291 1.00 0.00 C ATOM 633 CD LYS A 42 -20.818 15.032 5.357 1.00 0.00 C ATOM 634 CE LYS A 42 -22.264 15.453 5.090 1.00 0.00 C ATOM 635 NZ LYS A 42 -22.878 16.008 6.318 1.00 0.00 N ATOM 0 H LYS A 42 -18.799 11.455 3.437 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.853 12.069 6.157 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -21.278 12.280 3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.867 12.766 5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.242 13.961 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.565 14.437 3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -20.746 14.571 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.176 15.912 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -22.291 16.198 4.294 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -22.841 14.595 4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -23.859 16.289 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -22.869 15.287 7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -22.337 16.839 6.632 1.00 0.00 H new ATOM 649 N ASP A 43 -21.139 9.992 6.397 1.00 0.00 N ATOM 650 CA ASP A 43 -21.699 8.674 6.643 1.00 0.00 C ATOM 651 C ASP A 43 -22.581 8.270 5.459 1.00 0.00 C ATOM 652 O ASP A 43 -22.483 7.150 4.961 1.00 0.00 O ATOM 653 CB ASP A 43 -22.568 8.671 7.902 1.00 0.00 C ATOM 654 CG ASP A 43 -22.784 7.295 8.535 1.00 0.00 C ATOM 655 OD1 ASP A 43 -23.019 6.343 7.759 1.00 0.00 O ATOM 656 OD2 ASP A 43 -22.710 7.225 9.781 1.00 0.00 O ATOM 0 H ASP A 43 -21.256 10.655 7.163 1.00 0.00 H new ATOM 0 HA ASP A 43 -20.872 7.976 6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -22.111 9.327 8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -23.540 9.097 7.655 1.00 0.00 H new ATOM 661 N SER A 44 -23.422 9.206 5.043 1.00 0.00 N ATOM 662 CA SER A 44 -24.320 8.962 3.927 1.00 0.00 C ATOM 663 C SER A 44 -23.515 8.611 2.674 1.00 0.00 C ATOM 664 O SER A 44 -23.767 7.590 2.035 1.00 0.00 O ATOM 665 CB SER A 44 -25.212 10.176 3.662 1.00 0.00 C ATOM 666 OG SER A 44 -24.450 11.358 3.433 1.00 0.00 O ATOM 0 H SER A 44 -23.500 10.134 5.459 1.00 0.00 H new ATOM 0 HA SER A 44 -24.964 8.121 4.184 1.00 0.00 H new ATOM 0 HB2 SER A 44 -25.845 9.979 2.797 1.00 0.00 H new ATOM 0 HB3 SER A 44 -25.875 10.331 4.513 1.00 0.00 H new ATOM 0 HG SER A 44 -24.176 11.394 2.493 1.00 0.00 H new ATOM 672 N GLU A 45 -22.563 9.477 2.360 1.00 0.00 N ATOM 673 CA GLU A 45 -21.719 9.272 1.195 1.00 0.00 C ATOM 674 C GLU A 45 -21.226 7.824 1.145 1.00 0.00 C ATOM 675 O GLU A 45 -21.274 7.184 0.096 1.00 0.00 O ATOM 676 CB GLU A 45 -20.544 10.251 1.189 1.00 0.00 C ATOM 677 CG GLU A 45 -20.927 11.563 0.500 1.00 0.00 C ATOM 678 CD GLU A 45 -22.242 12.112 1.059 1.00 0.00 C ATOM 679 OE1 GLU A 45 -23.263 11.409 0.901 1.00 0.00 O ATOM 680 OE2 GLU A 45 -22.195 13.222 1.631 1.00 0.00 O ATOM 0 H GLU A 45 -22.357 10.322 2.892 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.314 9.464 0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.228 10.452 2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.694 9.801 0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -20.133 12.297 0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -21.024 11.400 -0.573 1.00 0.00 H new ATOM 687 N ILE A 46 -20.763 7.350 2.293 1.00 0.00 N ATOM 688 CA ILE A 46 -20.262 5.990 2.393 1.00 0.00 C ATOM 689 C ILE A 46 -21.372 5.012 2.005 1.00 0.00 C ATOM 690 O ILE A 46 -21.145 4.087 1.227 1.00 0.00 O ATOM 691 CB ILE A 46 -19.677 5.736 3.784 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.551 6.725 4.094 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.220 4.283 3.929 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.112 6.614 5.556 1.00 0.00 C ATOM 0 H ILE A 46 -20.724 7.884 3.161 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.441 5.834 1.693 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.463 5.902 4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.701 6.531 3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.887 7.741 3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -18.808 4.129 4.926 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.070 3.618 3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.455 4.066 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.311 7.327 5.751 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -18.958 6.832 6.208 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -17.754 5.604 5.753 1.00 0.00 H new ATOM 706 N ARG A 47 -22.549 5.250 2.564 1.00 0.00 N ATOM 707 CA ARG A 47 -23.696 4.402 2.286 1.00 0.00 C ATOM 708 C ARG A 47 -24.137 4.566 0.831 1.00 0.00 C ATOM 709 O ARG A 47 -24.602 3.612 0.208 1.00 0.00 O ATOM 710 CB ARG A 47 -24.868 4.740 3.209 1.00 0.00 C ATOM 711 CG ARG A 47 -24.714 4.052 4.567 1.00 0.00 C ATOM 712 CD ARG A 47 -26.073 3.611 5.115 1.00 0.00 C ATOM 713 NE ARG A 47 -25.921 3.105 6.498 1.00 0.00 N ATOM 714 CZ ARG A 47 -26.901 2.514 7.193 1.00 0.00 C ATOM 715 NH1 ARG A 47 -28.111 2.350 6.640 1.00 0.00 N ATOM 716 NH2 ARG A 47 -26.672 2.085 8.442 1.00 0.00 N ATOM 0 H ARG A 47 -22.734 6.019 3.209 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.395 3.369 2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -24.926 5.819 3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.803 4.429 2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -24.059 3.186 4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.237 4.733 5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -26.770 4.449 5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -26.496 2.833 4.479 1.00 0.00 H new ATOM 0 HE ARG A 47 -25.013 3.213 6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -28.286 2.675 5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -28.857 1.900 7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -25.751 2.209 8.863 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -27.419 1.635 8.972 1.00 0.00 H new ATOM 730 N GLN A 48 -23.976 5.782 0.331 1.00 0.00 N ATOM 731 CA GLN A 48 -24.352 6.084 -1.040 1.00 0.00 C ATOM 732 C GLN A 48 -23.512 5.256 -2.015 1.00 0.00 C ATOM 733 O GLN A 48 -24.054 4.494 -2.814 1.00 0.00 O ATOM 734 CB GLN A 48 -24.214 7.579 -1.331 1.00 0.00 C ATOM 735 CG GLN A 48 -25.316 8.378 -0.633 1.00 0.00 C ATOM 736 CD GLN A 48 -26.701 7.844 -1.007 1.00 0.00 C ATOM 737 OE1 GLN A 48 -27.481 7.426 -0.168 1.00 0.00 O ATOM 738 NE2 GLN A 48 -26.960 7.882 -2.311 1.00 0.00 N ATOM 0 H GLN A 48 -23.590 6.570 0.851 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.400 5.817 -1.175 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.238 7.930 -0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.262 7.750 -2.406 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.181 8.324 0.447 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -25.240 9.429 -0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.261 8.245 -2.959 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -27.857 7.548 -2.663 1.00 0.00 H new ATOM 747 N ILE A 49 -22.203 5.434 -1.917 1.00 0.00 N ATOM 748 CA ILE A 49 -21.283 4.713 -2.781 1.00 0.00 C ATOM 749 C ILE A 49 -21.691 3.239 -2.835 1.00 0.00 C ATOM 750 O ILE A 49 -21.976 2.709 -3.908 1.00 0.00 O ATOM 751 CB ILE A 49 -19.839 4.935 -2.329 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.388 6.368 -2.620 1.00 0.00 C ATOM 753 CG2 ILE A 49 -18.902 3.901 -2.957 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.228 6.773 -1.708 1.00 0.00 C ATOM 0 H ILE A 49 -21.757 6.067 -1.253 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.336 5.097 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.794 4.796 -1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -19.082 6.452 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.224 7.052 -2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -17.882 4.082 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.212 2.900 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -18.944 3.984 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.926 7.796 -1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.545 6.711 -0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.385 6.101 -1.871 1.00 0.00 H new ATOM 766 N GLU A 50 -21.705 2.618 -1.664 1.00 0.00 N ATOM 767 CA GLU A 50 -22.073 1.216 -1.565 1.00 0.00 C ATOM 768 C GLU A 50 -23.266 0.915 -2.474 1.00 0.00 C ATOM 769 O GLU A 50 -23.240 -0.047 -3.240 1.00 0.00 O ATOM 770 CB GLU A 50 -22.376 0.830 -0.116 1.00 0.00 C ATOM 771 CG GLU A 50 -21.241 -0.006 0.478 1.00 0.00 C ATOM 772 CD GLU A 50 -21.791 -1.136 1.352 1.00 0.00 C ATOM 773 OE1 GLU A 50 -22.513 -1.987 0.789 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.477 -1.122 2.561 1.00 0.00 O ATOM 0 H GLU A 50 -21.467 3.060 -0.776 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.227 0.614 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.520 1.730 0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.308 0.267 -0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.634 -0.425 -0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.587 0.632 1.072 1.00 0.00 H new ATOM 781 N CYS A 51 -24.285 1.754 -2.358 1.00 0.00 N ATOM 782 CA CYS A 51 -25.485 1.590 -3.160 1.00 0.00 C ATOM 783 C CYS A 51 -25.136 1.900 -4.617 1.00 0.00 C ATOM 784 O CYS A 51 -25.371 1.081 -5.503 1.00 0.00 O ATOM 785 CB CYS A 51 -26.631 2.464 -2.648 1.00 0.00 C ATOM 786 SG CYS A 51 -28.236 1.784 -3.207 1.00 0.00 S ATOM 0 H CYS A 51 -24.304 2.550 -1.720 1.00 0.00 H new ATOM 0 HA CYS A 51 -25.839 0.562 -3.084 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.606 2.510 -1.559 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.512 3.484 -3.013 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.202 2.533 -2.765 1.00 0.00 H new ATOM 792 N ASP A 52 -24.581 3.086 -4.819 1.00 0.00 N ATOM 793 CA ASP A 52 -24.198 3.516 -6.153 1.00 0.00 C ATOM 794 C ASP A 52 -23.609 2.328 -6.916 1.00 0.00 C ATOM 795 O ASP A 52 -24.162 1.899 -7.928 1.00 0.00 O ATOM 796 CB ASP A 52 -23.134 4.614 -6.094 1.00 0.00 C ATOM 797 CG ASP A 52 -23.545 5.946 -6.726 1.00 0.00 C ATOM 798 OD1 ASP A 52 -24.175 6.747 -6.002 1.00 0.00 O ATOM 799 OD2 ASP A 52 -23.218 6.133 -7.918 1.00 0.00 O ATOM 0 H ASP A 52 -24.387 3.763 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.087 3.902 -6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -22.872 4.789 -5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.234 4.254 -6.593 1.00 0.00 H new ATOM 804 N SER A 53 -22.494 1.829 -6.402 1.00 0.00 N ATOM 805 CA SER A 53 -21.824 0.699 -7.023 1.00 0.00 C ATOM 806 C SER A 53 -21.768 -0.477 -6.047 1.00 0.00 C ATOM 807 O SER A 53 -21.492 -0.293 -4.862 1.00 0.00 O ATOM 808 CB SER A 53 -20.413 1.078 -7.478 1.00 0.00 C ATOM 809 OG SER A 53 -20.398 2.300 -8.210 1.00 0.00 O ATOM 0 H SER A 53 -22.038 2.187 -5.563 1.00 0.00 H new ATOM 0 HA SER A 53 -22.395 0.405 -7.904 1.00 0.00 H new ATOM 0 HB2 SER A 53 -19.764 1.169 -6.607 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.005 0.279 -8.098 1.00 0.00 H new ATOM 0 HG SER A 53 -20.200 2.115 -9.152 1.00 0.00 H new ATOM 815 N GLU A 54 -22.036 -1.661 -6.579 1.00 0.00 N ATOM 816 CA GLU A 54 -22.020 -2.867 -5.770 1.00 0.00 C ATOM 817 C GLU A 54 -20.608 -3.454 -5.720 1.00 0.00 C ATOM 818 O GLU A 54 -20.174 -3.948 -4.680 1.00 0.00 O ATOM 819 CB GLU A 54 -23.022 -3.895 -6.298 1.00 0.00 C ATOM 820 CG GLU A 54 -24.458 -3.391 -6.142 1.00 0.00 C ATOM 821 CD GLU A 54 -25.415 -4.545 -5.836 1.00 0.00 C ATOM 822 OE1 GLU A 54 -25.441 -4.964 -4.658 1.00 0.00 O ATOM 823 OE2 GLU A 54 -26.098 -4.983 -6.787 1.00 0.00 O ATOM 0 H GLU A 54 -22.266 -1.810 -7.562 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.320 -2.604 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -22.817 -4.101 -7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -22.902 -4.835 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.503 -2.654 -5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.771 -2.887 -7.056 1.00 0.00 H new ATOM 830 N ASP A 55 -19.930 -3.380 -6.856 1.00 0.00 N ATOM 831 CA ASP A 55 -18.576 -3.898 -6.954 1.00 0.00 C ATOM 832 C ASP A 55 -17.683 -3.173 -5.945 1.00 0.00 C ATOM 833 O ASP A 55 -17.912 -2.005 -5.635 1.00 0.00 O ATOM 834 CB ASP A 55 -17.997 -3.665 -8.351 1.00 0.00 C ATOM 835 CG ASP A 55 -18.085 -4.865 -9.296 1.00 0.00 C ATOM 836 OD1 ASP A 55 -18.099 -6.000 -8.772 1.00 0.00 O ATOM 837 OD2 ASP A 55 -18.136 -4.621 -10.521 1.00 0.00 O ATOM 0 H ASP A 55 -20.293 -2.969 -7.716 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.609 -4.968 -6.751 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.517 -2.823 -8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.951 -3.377 -8.251 1.00 0.00 H new ATOM 842 N MET A 56 -16.683 -3.896 -5.461 1.00 0.00 N ATOM 843 CA MET A 56 -15.755 -3.337 -4.494 1.00 0.00 C ATOM 844 C MET A 56 -14.858 -2.280 -5.143 1.00 0.00 C ATOM 845 O MET A 56 -14.721 -1.174 -4.622 1.00 0.00 O ATOM 846 CB MET A 56 -14.887 -4.455 -3.913 1.00 0.00 C ATOM 847 CG MET A 56 -14.892 -4.414 -2.383 1.00 0.00 C ATOM 848 SD MET A 56 -16.563 -4.568 -1.774 1.00 0.00 S ATOM 849 CE MET A 56 -16.263 -5.485 -0.273 1.00 0.00 C ATOM 0 H MET A 56 -16.496 -4.864 -5.721 1.00 0.00 H new ATOM 0 HA MET A 56 -16.330 -2.861 -3.700 1.00 0.00 H new ATOM 0 HB2 MET A 56 -15.256 -5.422 -4.256 1.00 0.00 H new ATOM 0 HB3 MET A 56 -13.865 -4.355 -4.280 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.276 -5.222 -1.987 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.454 -3.479 -2.035 1.00 0.00 H new ATOM 0 HE1 MET A 56 -17.135 -6.097 -0.040 1.00 0.00 H new ATOM 0 HE2 MET A 56 -15.394 -6.129 -0.407 1.00 0.00 H new ATOM 0 HE3 MET A 56 -16.077 -4.791 0.547 1.00 0.00 H new ATOM 859 N LYS A 57 -14.272 -2.658 -6.269 1.00 0.00 N ATOM 860 CA LYS A 57 -13.393 -1.756 -6.994 1.00 0.00 C ATOM 861 C LYS A 57 -14.098 -0.412 -7.192 1.00 0.00 C ATOM 862 O LYS A 57 -13.625 0.617 -6.713 1.00 0.00 O ATOM 863 CB LYS A 57 -12.922 -2.401 -8.299 1.00 0.00 C ATOM 864 CG LYS A 57 -12.283 -3.766 -8.036 1.00 0.00 C ATOM 865 CD LYS A 57 -10.878 -3.839 -8.638 1.00 0.00 C ATOM 866 CE LYS A 57 -10.768 -4.994 -9.635 1.00 0.00 C ATOM 867 NZ LYS A 57 -9.606 -5.851 -9.308 1.00 0.00 N ATOM 0 H LYS A 57 -14.388 -3.576 -6.697 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.489 -1.560 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.767 -2.516 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.203 -1.748 -8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.232 -3.947 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.907 -4.552 -8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.643 -2.899 -9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.144 -3.969 -7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.682 -5.587 -9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.664 -4.601 -10.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.545 -6.630 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.735 -5.285 -9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.721 -6.241 -8.351 1.00 0.00 H new ATOM 881 N MET A 58 -15.218 -0.466 -7.898 1.00 0.00 N ATOM 882 CA MET A 58 -15.993 0.733 -8.165 1.00 0.00 C ATOM 883 C MET A 58 -16.202 1.547 -6.886 1.00 0.00 C ATOM 884 O MET A 58 -15.784 2.700 -6.804 1.00 0.00 O ATOM 885 CB MET A 58 -17.352 0.344 -8.751 1.00 0.00 C ATOM 886 CG MET A 58 -17.196 -0.233 -10.160 1.00 0.00 C ATOM 887 SD MET A 58 -16.650 1.041 -11.285 1.00 0.00 S ATOM 888 CE MET A 58 -18.128 2.038 -11.365 1.00 0.00 C ATOM 0 H MET A 58 -15.607 -1.322 -8.293 1.00 0.00 H new ATOM 0 HA MET A 58 -15.443 1.347 -8.878 1.00 0.00 H new ATOM 0 HB2 MET A 58 -17.834 -0.390 -8.105 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.003 1.218 -8.782 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.477 -1.052 -10.149 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.145 -0.647 -10.500 1.00 0.00 H new ATOM 0 HE1 MET A 58 -18.154 2.574 -12.313 1.00 0.00 H new ATOM 0 HE2 MET A 58 -19.005 1.395 -11.287 1.00 0.00 H new ATOM 0 HE3 MET A 58 -18.129 2.754 -10.543 1.00 0.00 H new ATOM 898 N ARG A 59 -16.850 0.913 -5.920 1.00 0.00 N ATOM 899 CA ARG A 59 -17.120 1.563 -4.649 1.00 0.00 C ATOM 900 C ARG A 59 -15.904 2.375 -4.199 1.00 0.00 C ATOM 901 O ARG A 59 -16.040 3.524 -3.781 1.00 0.00 O ATOM 902 CB ARG A 59 -17.468 0.537 -3.568 1.00 0.00 C ATOM 903 CG ARG A 59 -18.889 0.001 -3.759 1.00 0.00 C ATOM 904 CD ARG A 59 -19.161 -1.176 -2.819 1.00 0.00 C ATOM 905 NE ARG A 59 -20.591 -1.553 -2.881 1.00 0.00 N ATOM 906 CZ ARG A 59 -21.122 -2.594 -2.225 1.00 0.00 C ATOM 907 NH1 ARG A 59 -20.346 -3.367 -1.454 1.00 0.00 N ATOM 908 NH2 ARG A 59 -22.430 -2.861 -2.341 1.00 0.00 N ATOM 0 H ARG A 59 -17.196 -0.044 -5.992 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.972 2.227 -4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.756 -0.288 -3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.378 0.996 -2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.610 0.796 -3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.027 -0.315 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.540 -2.027 -3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.891 -0.906 -1.798 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.211 -0.985 -3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.350 -3.163 -1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.751 -4.159 -0.955 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.021 -2.272 -2.928 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -22.835 -3.653 -1.842 1.00 0.00 H new ATOM 922 N ALA A 60 -14.743 1.746 -4.299 1.00 0.00 N ATOM 923 CA ALA A 60 -13.503 2.395 -3.907 1.00 0.00 C ATOM 924 C ALA A 60 -13.259 3.605 -4.812 1.00 0.00 C ATOM 925 O ALA A 60 -12.975 4.699 -4.327 1.00 0.00 O ATOM 926 CB ALA A 60 -12.357 1.384 -3.963 1.00 0.00 C ATOM 0 H ALA A 60 -14.634 0.793 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.567 2.757 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.427 1.871 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.566 0.559 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.260 1.000 -4.978 1.00 0.00 H new ATOM 932 N LYS A 61 -13.377 3.367 -6.110 1.00 0.00 N ATOM 933 CA LYS A 61 -13.172 4.423 -7.086 1.00 0.00 C ATOM 934 C LYS A 61 -14.082 5.606 -6.750 1.00 0.00 C ATOM 935 O LYS A 61 -13.604 6.715 -6.518 1.00 0.00 O ATOM 936 CB LYS A 61 -13.364 3.885 -8.506 1.00 0.00 C ATOM 937 CG LYS A 61 -13.207 5.000 -9.541 1.00 0.00 C ATOM 938 CD LYS A 61 -13.965 4.666 -10.827 1.00 0.00 C ATOM 939 CE LYS A 61 -13.546 5.595 -11.968 1.00 0.00 C ATOM 940 NZ LYS A 61 -13.212 4.811 -13.178 1.00 0.00 N ATOM 0 H LYS A 61 -13.612 2.458 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.145 4.787 -7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.636 3.097 -8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.353 3.435 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.579 5.938 -9.129 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.150 5.147 -9.765 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.773 3.630 -11.108 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.038 4.756 -10.655 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.353 6.293 -12.191 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.685 6.189 -11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.930 5.457 -13.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.428 4.162 -12.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.044 4.263 -13.477 1.00 0.00 H new ATOM 954 N GLN A 62 -15.378 5.329 -6.733 1.00 0.00 N ATOM 955 CA GLN A 62 -16.359 6.357 -6.429 1.00 0.00 C ATOM 956 C GLN A 62 -15.854 7.253 -5.296 1.00 0.00 C ATOM 957 O GLN A 62 -15.951 8.477 -5.377 1.00 0.00 O ATOM 958 CB GLN A 62 -17.712 5.736 -6.076 1.00 0.00 C ATOM 959 CG GLN A 62 -18.471 5.323 -7.338 1.00 0.00 C ATOM 960 CD GLN A 62 -19.356 6.464 -7.844 1.00 0.00 C ATOM 961 OE1 GLN A 62 -18.984 7.233 -8.715 1.00 0.00 O ATOM 962 NE2 GLN A 62 -20.545 6.530 -7.252 1.00 0.00 N ATOM 0 H GLN A 62 -15.771 4.408 -6.925 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.500 6.972 -7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.561 4.866 -5.437 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.307 6.450 -5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.763 5.036 -8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.085 4.448 -7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.793 5.854 -6.530 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.209 7.256 -7.520 1.00 0.00 H new ATOM 971 N LEU A 63 -15.327 6.609 -4.265 1.00 0.00 N ATOM 972 CA LEU A 63 -14.807 7.332 -3.117 1.00 0.00 C ATOM 973 C LEU A 63 -13.649 8.226 -3.564 1.00 0.00 C ATOM 974 O LEU A 63 -13.702 9.444 -3.402 1.00 0.00 O ATOM 975 CB LEU A 63 -14.436 6.361 -1.995 1.00 0.00 C ATOM 976 CG LEU A 63 -13.650 6.956 -0.825 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.518 7.922 -0.016 1.00 0.00 C ATOM 978 CD2 LEU A 63 -13.051 5.854 0.051 1.00 0.00 C ATOM 0 H LEU A 63 -15.249 5.594 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.573 7.986 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.354 5.921 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.850 5.548 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.819 7.532 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.935 8.331 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.855 8.735 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.383 7.390 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.498 6.305 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.851 5.231 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.377 5.241 -0.546 1.00 0.00 H new ATOM 990 N LEU A 64 -12.630 7.586 -4.119 1.00 0.00 N ATOM 991 CA LEU A 64 -11.460 8.308 -4.591 1.00 0.00 C ATOM 992 C LEU A 64 -11.910 9.525 -5.402 1.00 0.00 C ATOM 993 O LEU A 64 -11.307 10.593 -5.313 1.00 0.00 O ATOM 994 CB LEU A 64 -10.525 7.371 -5.356 1.00 0.00 C ATOM 995 CG LEU A 64 -9.731 6.375 -4.508 1.00 0.00 C ATOM 996 CD1 LEU A 64 -9.977 6.608 -3.016 1.00 0.00 C ATOM 997 CD2 LEU A 64 -10.039 4.935 -4.921 1.00 0.00 C ATOM 0 H LEU A 64 -12.590 6.576 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.878 8.683 -3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.117 6.811 -6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.819 7.978 -5.923 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.669 6.542 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.401 5.887 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.667 7.619 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.038 6.484 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.462 4.248 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.103 4.738 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.773 4.792 -5.968 1.00 0.00 H new ATOM 1009 N VAL A 65 -12.967 9.323 -6.175 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.505 10.390 -7.001 1.00 0.00 C ATOM 1011 C VAL A 65 -14.080 11.485 -6.101 1.00 0.00 C ATOM 1012 O VAL A 65 -13.641 12.633 -6.155 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.532 9.824 -7.984 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.049 10.913 -8.925 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -13.947 8.650 -8.773 1.00 0.00 C ATOM 0 H VAL A 65 -13.465 8.436 -6.247 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.716 10.843 -7.601 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.378 9.451 -7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.777 10.484 -9.613 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.522 11.703 -8.342 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.216 11.330 -9.492 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.697 8.266 -9.464 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.075 8.987 -9.334 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.651 7.860 -8.083 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.055 11.093 -5.294 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.695 12.027 -4.384 1.00 0.00 C ATOM 1027 C ALA A 66 -14.629 12.690 -3.508 1.00 0.00 C ATOM 1028 O ALA A 66 -14.745 13.866 -3.167 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.753 11.293 -3.558 1.00 0.00 C ATOM 0 H ALA A 66 -15.417 10.140 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.204 12.815 -4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.233 11.994 -2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.502 10.865 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.279 10.496 -2.985 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.616 11.907 -3.169 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.531 12.403 -2.340 1.00 0.00 C ATOM 1037 C TRP A 67 -11.684 13.353 -3.189 1.00 0.00 C ATOM 1038 O TRP A 67 -11.144 14.333 -2.678 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.721 11.248 -1.748 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.370 11.669 -1.167 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.119 12.207 0.034 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.085 11.565 -1.816 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.773 12.456 0.206 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.124 12.053 -0.955 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.746 11.074 -3.090 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.761 12.098 -1.272 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.380 11.126 -3.392 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.400 11.614 -2.536 1.00 0.00 C ATOM 0 H TRP A 67 -13.524 10.932 -3.454 1.00 0.00 H new ATOM 0 HA TRP A 67 -12.921 12.954 -1.484 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.309 10.770 -0.964 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.554 10.500 -2.523 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.876 12.419 0.775 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.335 12.861 1.033 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.481 10.688 -3.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.028 12.485 -0.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.066 10.761 -4.359 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.365 11.620 -2.844 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.595 13.031 -4.471 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.823 13.843 -5.395 1.00 0.00 C ATOM 1061 C GLN A 68 -11.569 15.142 -5.710 1.00 0.00 C ATOM 1062 O GLN A 68 -10.974 16.219 -5.708 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.508 13.068 -6.676 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.756 13.946 -7.678 1.00 0.00 C ATOM 1065 CD GLN A 68 -9.425 13.165 -8.952 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -10.112 13.247 -9.957 1.00 0.00 O ATOM 1067 NE2 GLN A 68 -8.338 12.406 -8.854 1.00 0.00 N ATOM 0 H GLN A 68 -12.045 12.218 -4.892 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.875 14.096 -4.921 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.909 12.190 -6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.434 12.709 -7.125 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.361 14.818 -7.928 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.836 14.316 -7.225 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.808 12.384 -7.983 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.034 11.846 -9.650 1.00 0.00 H new ATOM 1076 N ASP A 69 -12.859 14.998 -5.973 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.692 16.146 -6.289 1.00 0.00 C ATOM 1078 C ASP A 69 -13.814 17.038 -5.052 1.00 0.00 C ATOM 1079 O ASP A 69 -13.840 18.262 -5.165 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.100 15.709 -6.697 1.00 0.00 C ATOM 1081 CG ASP A 69 -15.491 16.051 -8.136 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -14.850 15.485 -9.048 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -16.422 16.871 -8.292 1.00 0.00 O ATOM 0 H ASP A 69 -13.348 14.103 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.227 16.683 -7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.184 14.631 -6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.818 16.173 -6.021 1.00 0.00 H new ATOM 1088 N GLN A 70 -13.885 16.389 -3.899 1.00 0.00 N ATOM 1089 CA GLN A 70 -14.004 17.108 -2.642 1.00 0.00 C ATOM 1090 C GLN A 70 -12.741 17.932 -2.380 1.00 0.00 C ATOM 1091 O GLN A 70 -12.821 19.134 -2.128 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.280 16.147 -1.484 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.761 16.717 -0.162 1.00 0.00 C ATOM 1094 CD GLN A 70 -14.639 16.272 1.009 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -15.855 16.372 0.980 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -13.958 15.778 2.039 1.00 0.00 N ATOM 0 H GLN A 70 -13.862 15.373 -3.809 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.851 17.790 -2.715 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.351 15.961 -1.408 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.803 15.187 -1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.735 16.388 0.002 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.742 17.806 -0.214 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.940 15.722 1.998 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.453 15.455 2.870 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.605 17.254 -2.450 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.328 17.908 -2.224 1.00 0.00 C ATOM 1107 C GLU A 71 -9.847 18.590 -3.507 1.00 0.00 C ATOM 1108 O GLU A 71 -8.709 19.052 -3.579 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.286 16.914 -1.708 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.569 16.527 -0.256 1.00 0.00 C ATOM 1111 CD GLU A 71 -9.061 17.602 0.707 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -7.903 18.031 0.518 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -9.842 17.969 1.611 1.00 0.00 O ATOM 0 H GLU A 71 -11.543 16.258 -2.660 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.464 18.672 -1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.289 16.021 -2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.291 17.353 -1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.641 16.385 -0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.089 15.575 -0.030 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.737 18.632 -4.487 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.418 19.250 -5.762 1.00 0.00 C ATOM 1122 C GLY A 72 -8.970 18.963 -6.163 1.00 0.00 C ATOM 1123 O GLY A 72 -8.510 17.826 -6.071 1.00 0.00 O ATOM 0 H GLY A 72 -11.680 18.248 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.093 18.875 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.575 20.327 -5.698 1.00 0.00 H new ATOM 1127 N VAL A 73 -8.291 20.014 -6.600 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.904 19.889 -7.015 1.00 0.00 C ATOM 1129 C VAL A 73 -6.008 19.834 -5.776 1.00 0.00 C ATOM 1130 O VAL A 73 -5.095 20.645 -5.629 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.538 21.030 -7.967 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -6.312 22.334 -7.198 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.312 20.670 -8.808 1.00 0.00 C ATOM 0 H VAL A 73 -8.676 20.956 -6.676 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.753 18.961 -7.567 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.377 21.182 -8.646 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.053 23.129 -7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.223 22.604 -6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.499 22.200 -6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.073 21.498 -9.476 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.464 20.478 -8.151 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.524 19.778 -9.397 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.301 18.869 -4.916 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.533 18.698 -3.694 1.00 0.00 C ATOM 1145 C HIS A 74 -5.333 17.206 -3.419 1.00 0.00 C ATOM 1146 O HIS A 74 -4.237 16.779 -3.061 1.00 0.00 O ATOM 1147 CB HIS A 74 -6.197 19.432 -2.528 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.697 20.813 -2.876 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -7.989 21.232 -2.610 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -6.066 21.866 -3.471 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -8.118 22.482 -3.030 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -6.926 22.873 -3.564 1.00 0.00 N ATOM 0 H HIS A 74 -7.059 18.198 -5.041 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.546 19.146 -3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.034 18.835 -2.165 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.483 19.511 -1.708 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -8.718 20.673 -2.166 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.040 21.878 -3.809 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.011 23.086 -2.961 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.410 16.454 -3.598 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.366 15.019 -3.374 1.00 0.00 C ATOM 1162 C ALA A 75 -5.120 14.440 -4.045 1.00 0.00 C ATOM 1163 O ALA A 75 -5.141 14.122 -5.234 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.657 14.382 -3.892 1.00 0.00 C ATOM 0 H ALA A 75 -7.318 16.812 -3.895 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.298 14.799 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.624 13.305 -3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.510 14.806 -3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.758 14.580 -4.959 1.00 0.00 H new ATOM 1170 N THR A 76 -4.063 14.321 -3.256 1.00 0.00 N ATOM 1171 CA THR A 76 -2.809 13.785 -3.759 1.00 0.00 C ATOM 1172 C THR A 76 -2.573 12.376 -3.212 1.00 0.00 C ATOM 1173 O THR A 76 -3.214 11.966 -2.245 1.00 0.00 O ATOM 1174 CB THR A 76 -1.696 14.771 -3.399 1.00 0.00 C ATOM 1175 OG1 THR A 76 -1.972 15.129 -2.048 1.00 0.00 O ATOM 1176 CG2 THR A 76 -1.811 16.090 -4.165 1.00 0.00 C ATOM 0 H THR A 76 -4.049 14.587 -2.271 1.00 0.00 H new ATOM 0 HA THR A 76 -2.831 13.679 -4.844 1.00 0.00 H new ATOM 0 HB THR A 76 -0.728 14.315 -3.605 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.204 15.608 -1.673 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.997 16.753 -3.872 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.753 15.895 -5.236 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.765 16.563 -3.934 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.628 11.654 -3.871 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.299 10.300 -3.461 1.00 0.00 C ATOM 1186 C PRO A 77 -0.457 10.302 -2.184 1.00 0.00 C ATOM 1187 O PRO A 77 -0.409 9.305 -1.465 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.573 9.694 -4.651 1.00 0.00 C ATOM 1189 CG PRO A 77 -0.112 10.867 -5.500 1.00 0.00 C ATOM 1190 CD PRO A 77 -0.849 12.107 -5.020 1.00 0.00 C ATOM 0 HA PRO A 77 -2.181 9.712 -3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.274 9.091 -4.325 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.233 9.037 -5.218 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.966 11.004 -5.409 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.322 10.682 -6.553 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.153 12.898 -4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.493 12.512 -5.801 1.00 0.00 H new ATOM 1198 N GLU A 78 0.187 11.434 -1.941 1.00 0.00 N ATOM 1199 CA GLU A 78 1.026 11.580 -0.763 1.00 0.00 C ATOM 1200 C GLU A 78 0.161 11.802 0.480 1.00 0.00 C ATOM 1201 O GLU A 78 0.480 11.305 1.559 1.00 0.00 O ATOM 1202 CB GLU A 78 2.031 12.719 -0.943 1.00 0.00 C ATOM 1203 CG GLU A 78 3.344 12.411 -0.220 1.00 0.00 C ATOM 1204 CD GLU A 78 3.867 13.646 0.517 1.00 0.00 C ATOM 1205 OE1 GLU A 78 3.267 13.980 1.561 1.00 0.00 O ATOM 1206 OE2 GLU A 78 4.854 14.228 0.018 1.00 0.00 O ATOM 0 H GLU A 78 0.145 12.259 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 78 1.593 10.659 -0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.224 12.874 -2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.608 13.646 -0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.191 11.598 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.088 12.070 -0.940 1.00 0.00 H new ATOM 1213 N ASN A 79 -0.916 12.549 0.286 1.00 0.00 N ATOM 1214 CA ASN A 79 -1.829 12.843 1.378 1.00 0.00 C ATOM 1215 C ASN A 79 -2.667 11.600 1.685 1.00 0.00 C ATOM 1216 O ASN A 79 -3.005 11.345 2.840 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.785 13.978 1.006 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.037 15.307 0.884 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -0.977 15.507 1.453 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -2.647 16.201 0.111 1.00 0.00 N ATOM 0 H ASN A 79 -1.177 12.959 -0.611 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.236 13.140 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.280 13.747 0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.565 14.064 1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.228 17.119 -0.035 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.534 15.968 -0.336 1.00 0.00 H new ATOM 1227 N LEU A 80 -2.977 10.860 0.631 1.00 0.00 N ATOM 1228 CA LEU A 80 -3.769 9.650 0.774 1.00 0.00 C ATOM 1229 C LEU A 80 -2.929 8.574 1.466 1.00 0.00 C ATOM 1230 O LEU A 80 -3.355 7.996 2.465 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.331 9.214 -0.581 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.508 8.238 -0.536 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.689 8.838 0.230 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -5.905 7.793 -1.945 1.00 0.00 C ATOM 0 H LEU A 80 -2.694 11.075 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.636 9.835 1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.644 10.105 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.526 8.755 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.192 7.347 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.512 8.124 0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.383 9.064 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.014 9.755 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.744 7.100 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.195 8.664 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.059 7.298 -2.422 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.751 8.338 0.907 1.00 0.00 N ATOM 1247 CA ILE A 81 -0.848 7.342 1.458 1.00 0.00 C ATOM 1248 C ILE A 81 -0.715 7.559 2.967 1.00 0.00 C ATOM 1249 O ILE A 81 -0.580 6.600 3.726 1.00 0.00 O ATOM 1250 CB ILE A 81 0.489 7.362 0.714 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.374 6.659 -0.640 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.605 6.768 1.576 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.699 6.718 -1.403 1.00 0.00 C ATOM 0 H ILE A 81 -1.401 8.819 0.078 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.252 6.340 1.314 1.00 0.00 H new ATOM 0 HB ILE A 81 0.754 8.401 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.082 5.619 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.412 7.128 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.544 6.794 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.706 7.350 2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.360 5.736 1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.590 6.211 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.975 7.759 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.477 6.226 -0.819 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.759 8.824 3.357 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.646 9.179 4.761 1.00 0.00 C ATOM 1267 C ASN A 82 -1.822 8.574 5.532 1.00 0.00 C ATOM 1268 O ASN A 82 -1.628 7.927 6.560 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.686 10.696 4.951 1.00 0.00 C ATOM 1270 CG ASN A 82 0.399 11.156 5.926 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.089 10.363 6.546 1.00 0.00 O ATOM 1272 ND2 ASN A 82 0.512 12.477 6.027 1.00 0.00 N ATOM 0 H ASN A 82 -0.871 9.616 2.725 1.00 0.00 H new ATOM 0 HA ASN A 82 0.305 8.795 5.130 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.549 11.190 3.989 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.666 10.993 5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.208 12.883 6.652 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.098 13.084 5.479 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.015 8.807 5.005 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.222 8.294 5.631 1.00 0.00 C ATOM 1281 C ALA A 83 -4.152 6.766 5.686 1.00 0.00 C ATOM 1282 O ALA A 83 -4.389 6.168 6.735 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.447 8.794 4.864 1.00 0.00 C ATOM 0 H ALA A 83 -3.172 9.344 4.152 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.308 8.658 6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.352 8.409 5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.466 9.884 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.397 8.446 3.832 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.827 6.179 4.544 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.723 4.733 4.450 1.00 0.00 C ATOM 1291 C LEU A 84 -2.907 4.206 5.632 1.00 0.00 C ATOM 1292 O LEU A 84 -3.258 3.189 6.229 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.164 4.324 3.086 1.00 0.00 C ATOM 1294 CG LEU A 84 -4.055 4.623 1.878 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.232 4.685 0.591 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.200 3.612 1.779 1.00 0.00 C ATOM 0 H LEU A 84 -3.632 6.678 3.676 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.710 4.275 4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.209 4.828 2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.960 3.253 3.106 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.504 5.606 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.890 4.899 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.483 5.472 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.736 3.728 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.818 3.846 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.790 2.608 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.808 3.661 2.682 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.833 4.921 5.934 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.964 4.538 7.034 1.00 0.00 C ATOM 1310 C ASN A 85 -1.791 4.429 8.317 1.00 0.00 C ATOM 1311 O ASN A 85 -1.996 3.333 8.836 1.00 0.00 O ATOM 1312 CB ASN A 85 0.128 5.585 7.263 1.00 0.00 C ATOM 1313 CG ASN A 85 1.517 4.988 7.027 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.083 4.314 7.872 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.033 5.272 5.835 1.00 0.00 N ATOM 0 H ASN A 85 -1.545 5.763 5.436 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.502 3.584 6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -0.027 6.430 6.593 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.061 5.969 8.281 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.956 4.920 5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.506 5.842 5.174 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.243 5.581 8.791 1.00 0.00 N ATOM 1323 CA LYS A 86 -3.042 5.628 10.003 1.00 0.00 C ATOM 1324 C LYS A 86 -4.239 4.686 9.857 1.00 0.00 C ATOM 1325 O LYS A 86 -4.639 4.031 10.819 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.432 7.071 10.332 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.203 7.708 9.174 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.445 9.197 9.430 1.00 0.00 C ATOM 1329 CE LYS A 86 -5.503 9.401 10.517 1.00 0.00 C ATOM 1330 NZ LYS A 86 -5.610 10.834 10.873 1.00 0.00 N ATOM 0 H LYS A 86 -2.071 6.488 8.358 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.461 5.276 10.856 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.043 7.090 11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.536 7.655 10.542 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.644 7.581 8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.157 7.198 9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.512 9.674 9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.768 9.681 8.508 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.468 9.034 10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.242 8.819 11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.332 10.955 11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.693 11.173 11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.881 11.382 10.031 1.00 0.00 H new ATOM 1344 N SER A 87 -4.777 4.648 8.647 1.00 0.00 N ATOM 1345 CA SER A 87 -5.920 3.797 8.363 1.00 0.00 C ATOM 1346 C SER A 87 -5.522 2.326 8.492 1.00 0.00 C ATOM 1347 O SER A 87 -6.380 1.444 8.486 1.00 0.00 O ATOM 1348 CB SER A 87 -6.480 4.075 6.967 1.00 0.00 C ATOM 1349 OG SER A 87 -5.926 3.202 5.986 1.00 0.00 O ATOM 0 H SER A 87 -4.443 5.193 7.852 1.00 0.00 H new ATOM 0 HA SER A 87 -6.701 4.020 9.089 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.564 3.962 6.982 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.271 5.109 6.692 1.00 0.00 H new ATOM 0 HG SER A 87 -4.984 3.031 6.195 1.00 0.00 H new ATOM 1355 N GLY A 88 -4.221 2.106 8.606 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.698 0.756 8.737 1.00 0.00 C ATOM 1357 C GLY A 88 -3.782 0.005 7.407 1.00 0.00 C ATOM 1358 O GLY A 88 -3.929 -1.216 7.387 1.00 0.00 O ATOM 0 H GLY A 88 -3.513 2.840 8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.662 0.794 9.072 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.260 0.217 9.500 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.685 0.766 6.327 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.748 0.188 4.995 1.00 0.00 C ATOM 1364 C LEU A 89 -2.353 0.210 4.368 1.00 0.00 C ATOM 1365 O LEU A 89 -2.213 0.430 3.166 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.812 0.895 4.154 1.00 0.00 C ATOM 1367 CG LEU A 89 -6.180 0.213 4.090 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.414 -0.664 5.322 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -7.297 1.240 3.897 1.00 0.00 C ATOM 0 H LEU A 89 -3.563 1.779 6.347 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.058 -0.856 5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.948 1.902 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.433 1.000 3.138 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.193 -0.444 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.393 -1.137 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.643 -1.433 5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.373 -0.048 6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.258 0.728 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.295 1.941 4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.134 1.784 2.966 1.00 0.00 H new ATOM 1381 N SER A 90 -1.357 -0.021 5.210 1.00 0.00 N ATOM 1382 CA SER A 90 0.023 -0.030 4.753 1.00 0.00 C ATOM 1383 C SER A 90 0.106 -0.647 3.355 1.00 0.00 C ATOM 1384 O SER A 90 0.825 -0.144 2.493 1.00 0.00 O ATOM 1385 CB SER A 90 0.920 -0.797 5.726 1.00 0.00 C ATOM 1386 OG SER A 90 0.441 -2.117 5.968 1.00 0.00 O ATOM 0 H SER A 90 -1.478 -0.203 6.206 1.00 0.00 H new ATOM 0 HA SER A 90 0.377 1.000 4.711 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.932 -0.847 5.324 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.979 -0.254 6.669 1.00 0.00 H new ATOM 0 HG SER A 90 1.042 -2.574 6.593 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.638 -1.728 3.175 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.657 -2.418 1.896 1.00 0.00 C ATOM 1394 C ASP A 91 -0.790 -1.392 0.769 1.00 0.00 C ATOM 1395 O ASP A 91 0.022 -1.371 -0.155 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.846 -3.377 1.806 1.00 0.00 C ATOM 1397 CG ASP A 91 -1.545 -4.718 1.132 1.00 0.00 C ATOM 1398 OD1 ASP A 91 -0.352 -4.954 0.846 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -2.516 -5.476 0.919 1.00 0.00 O ATOM 0 H ASP A 91 -1.232 -2.143 3.893 1.00 0.00 H new ATOM 0 HA ASP A 91 0.270 -2.983 1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.216 -3.569 2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.650 -2.885 1.259 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.821 -0.567 0.882 1.00 0.00 N ATOM 1405 CA LEU A 92 -2.071 0.459 -0.116 1.00 0.00 C ATOM 1406 C LEU A 92 -0.876 1.413 -0.170 1.00 0.00 C ATOM 1407 O LEU A 92 -0.209 1.520 -1.198 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.405 1.157 0.156 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.618 0.600 -0.590 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.945 1.451 -1.819 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.411 -0.873 -0.951 1.00 0.00 C ATOM 0 H LEU A 92 -2.493 -0.588 1.649 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.168 0.013 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.607 1.107 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.299 2.211 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.480 0.651 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.812 1.033 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.166 2.472 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.091 1.456 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.288 -1.245 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.533 -0.971 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.264 -1.454 -0.040 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.644 2.083 0.949 1.00 0.00 N ATOM 1424 CA ALA A 93 0.459 3.025 1.042 1.00 0.00 C ATOM 1425 C ALA A 93 1.670 2.462 0.296 1.00 0.00 C ATOM 1426 O ALA A 93 2.213 3.113 -0.595 1.00 0.00 O ATOM 1427 CB ALA A 93 0.762 3.313 2.513 1.00 0.00 C ATOM 0 H ALA A 93 -1.201 1.993 1.799 1.00 0.00 H new ATOM 0 HA ALA A 93 0.195 3.972 0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.589 4.019 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.121 3.740 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.034 2.385 3.017 1.00 0.00 H new ATOM 1433 N GLU A 94 2.058 1.257 0.687 1.00 0.00 N ATOM 1434 CA GLU A 94 3.195 0.598 0.067 1.00 0.00 C ATOM 1435 C GLU A 94 2.918 0.347 -1.417 1.00 0.00 C ATOM 1436 O GLU A 94 3.791 0.551 -2.258 1.00 0.00 O ATOM 1437 CB GLU A 94 3.535 -0.706 0.790 1.00 0.00 C ATOM 1438 CG GLU A 94 4.539 -0.462 1.918 1.00 0.00 C ATOM 1439 CD GLU A 94 5.891 -1.102 1.596 1.00 0.00 C ATOM 1440 OE1 GLU A 94 5.900 -2.333 1.381 1.00 0.00 O ATOM 1441 OE2 GLU A 94 6.886 -0.345 1.572 1.00 0.00 O ATOM 0 H GLU A 94 1.605 0.720 1.426 1.00 0.00 H new ATOM 0 HA GLU A 94 4.060 1.256 0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.626 -1.148 1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.948 -1.423 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.667 0.610 2.070 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.151 -0.872 2.850 1.00 0.00 H new ATOM 1448 N SER A 95 1.698 -0.093 -1.692 1.00 0.00 N ATOM 1449 CA SER A 95 1.295 -0.375 -3.059 1.00 0.00 C ATOM 1450 C SER A 95 1.556 0.846 -3.944 1.00 0.00 C ATOM 1451 O SER A 95 2.257 0.750 -4.950 1.00 0.00 O ATOM 1452 CB SER A 95 -0.180 -0.774 -3.127 1.00 0.00 C ATOM 1453 OG SER A 95 -0.434 -1.997 -2.441 1.00 0.00 O ATOM 0 H SER A 95 0.976 -0.261 -0.991 1.00 0.00 H new ATOM 0 HA SER A 95 1.888 -1.214 -3.424 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.790 0.018 -2.694 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.481 -0.874 -4.170 1.00 0.00 H new ATOM 0 HG SER A 95 0.049 -2.000 -1.588 1.00 0.00 H new ATOM 1459 N LEU A 96 0.978 1.966 -3.536 1.00 0.00 N ATOM 1460 CA LEU A 96 1.139 3.205 -4.279 1.00 0.00 C ATOM 1461 C LEU A 96 2.629 3.530 -4.403 1.00 0.00 C ATOM 1462 O LEU A 96 3.217 3.365 -5.471 1.00 0.00 O ATOM 1463 CB LEU A 96 0.317 4.325 -3.639 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.196 4.254 -3.857 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.550 4.483 -5.328 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.765 2.936 -3.328 1.00 0.00 C ATOM 0 H LEU A 96 0.398 2.042 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 96 0.750 3.095 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.510 4.323 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.676 5.279 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.661 5.057 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.631 4.427 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.198 5.467 -5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.073 3.718 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.842 2.911 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.297 2.102 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.562 2.855 -2.260 1.00 0.00 H new ATOM 1478 N THR A 97 3.197 3.985 -3.296 1.00 0.00 N ATOM 1479 CA THR A 97 4.607 4.335 -3.268 1.00 0.00 C ATOM 1480 C THR A 97 5.431 3.292 -4.025 1.00 0.00 C ATOM 1481 O THR A 97 6.275 3.641 -4.849 1.00 0.00 O ATOM 1482 CB THR A 97 5.025 4.493 -1.804 1.00 0.00 C ATOM 1483 OG1 THR A 97 6.073 5.458 -1.845 1.00 0.00 O ATOM 1484 CG2 THR A 97 5.697 3.236 -1.248 1.00 0.00 C ATOM 0 H THR A 97 2.706 4.119 -2.412 1.00 0.00 H new ATOM 0 HA THR A 97 4.790 5.281 -3.778 1.00 0.00 H new ATOM 0 HB THR A 97 4.150 4.733 -1.200 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.402 5.622 -0.937 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.974 3.402 -0.207 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.005 2.396 -1.311 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.591 3.014 -1.830 1.00 0.00 H new ATOM 1492 N ASN A 98 5.156 2.032 -3.720 1.00 0.00 N ATOM 1493 CA ASN A 98 5.861 0.936 -4.362 1.00 0.00 C ATOM 1494 C ASN A 98 7.343 1.294 -4.491 1.00 0.00 C ATOM 1495 O ASN A 98 7.758 1.884 -5.488 1.00 0.00 O ATOM 1496 CB ASN A 98 5.313 0.676 -5.767 1.00 0.00 C ATOM 1497 CG ASN A 98 4.912 -0.790 -5.937 1.00 0.00 C ATOM 1498 OD1 ASN A 98 5.411 -1.502 -6.794 1.00 0.00 O ATOM 1499 ND2 ASN A 98 3.985 -1.201 -5.076 1.00 0.00 N ATOM 0 H ASN A 98 4.455 1.746 -3.037 1.00 0.00 H new ATOM 0 HA ASN A 98 5.725 0.044 -3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.450 1.316 -5.949 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.067 0.939 -6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.650 -2.164 -5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.609 -0.553 -4.383 1.00 0.00 H new ATOM 1506 N ASP A 99 8.100 0.923 -3.469 1.00 0.00 N ATOM 1507 CA ASP A 99 9.527 1.197 -3.456 1.00 0.00 C ATOM 1508 C ASP A 99 10.269 -0.010 -2.879 1.00 0.00 C ATOM 1509 O ASP A 99 9.658 -1.038 -2.589 1.00 0.00 O ATOM 1510 CB ASP A 99 9.846 2.411 -2.581 1.00 0.00 C ATOM 1511 CG ASP A 99 9.962 3.738 -3.333 1.00 0.00 C ATOM 1512 OD1 ASP A 99 9.621 3.741 -4.535 1.00 0.00 O ATOM 1513 OD2 ASP A 99 10.389 4.720 -2.688 1.00 0.00 O ATOM 0 H ASP A 99 7.752 0.435 -2.644 1.00 0.00 H new ATOM 0 HA ASP A 99 9.841 1.398 -4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.069 2.507 -1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.783 2.225 -2.056 1.00 0.00 H new ATOM 1518 N ASN A 100 11.575 0.155 -2.730 1.00 0.00 N ATOM 1519 CA ASN A 100 12.407 -0.908 -2.193 1.00 0.00 C ATOM 1520 C ASN A 100 12.224 -2.170 -3.039 1.00 0.00 C ATOM 1521 O ASN A 100 11.264 -2.915 -2.849 1.00 0.00 O ATOM 1522 CB ASN A 100 12.011 -1.244 -0.753 1.00 0.00 C ATOM 1523 CG ASN A 100 12.890 -0.490 0.247 1.00 0.00 C ATOM 1524 OD1 ASN A 100 14.015 -0.868 0.532 1.00 0.00 O ATOM 1525 ND2 ASN A 100 12.317 0.594 0.761 1.00 0.00 N ATOM 0 H ASN A 100 12.078 1.009 -2.972 1.00 0.00 H new ATOM 0 HA ASN A 100 13.442 -0.568 -2.213 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.965 -0.986 -0.590 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.104 -2.317 -0.587 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.823 1.166 1.438 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.372 0.854 0.479 1.00 0.00 H new ATOM 1532 N GLU A 101 13.160 -2.370 -3.955 1.00 0.00 N ATOM 1533 CA GLU A 101 13.114 -3.529 -4.831 1.00 0.00 C ATOM 1534 C GLU A 101 14.504 -3.817 -5.403 1.00 0.00 C ATOM 1535 O GLU A 101 15.422 -3.013 -5.248 1.00 0.00 O ATOM 1536 CB GLU A 101 12.091 -3.329 -5.951 1.00 0.00 C ATOM 1537 CG GLU A 101 12.545 -2.237 -6.921 1.00 0.00 C ATOM 1538 CD GLU A 101 11.905 -0.892 -6.572 1.00 0.00 C ATOM 1539 OE1 GLU A 101 10.717 -0.721 -6.922 1.00 0.00 O ATOM 1540 OE2 GLU A 101 12.617 -0.065 -5.962 1.00 0.00 O ATOM 0 H GLU A 101 13.955 -1.749 -4.110 1.00 0.00 H new ATOM 0 HA GLU A 101 12.798 -4.392 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.951 -4.265 -6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.125 -3.061 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.631 -2.146 -6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.278 -2.517 -7.940 1.00 0.00 H new ATOM 1547 N THR A 102 14.615 -4.966 -6.052 1.00 0.00 N ATOM 1548 CA THR A 102 15.877 -5.371 -6.648 1.00 0.00 C ATOM 1549 C THR A 102 16.551 -4.178 -7.328 1.00 0.00 C ATOM 1550 O THR A 102 15.965 -3.545 -8.206 1.00 0.00 O ATOM 1551 CB THR A 102 15.598 -6.535 -7.601 1.00 0.00 C ATOM 1552 OG1 THR A 102 16.888 -6.914 -8.073 1.00 0.00 O ATOM 1553 CG2 THR A 102 14.854 -6.095 -8.863 1.00 0.00 C ATOM 0 H THR A 102 13.851 -5.630 -6.179 1.00 0.00 H new ATOM 0 HA THR A 102 16.581 -5.715 -5.890 1.00 0.00 H new ATOM 0 HB THR A 102 15.014 -7.295 -7.083 1.00 0.00 H new ATOM 0 HG1 THR A 102 16.801 -7.665 -8.696 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.682 -6.960 -9.504 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.897 -5.653 -8.586 1.00 0.00 H new ATOM 0 HG23 THR A 102 15.452 -5.359 -9.400 1.00 0.00 H new ATOM 1561 N ASN A 103 17.775 -3.906 -6.897 1.00 0.00 N ATOM 1562 CA ASN A 103 18.536 -2.800 -7.454 1.00 0.00 C ATOM 1563 C ASN A 103 19.435 -3.320 -8.577 1.00 0.00 C ATOM 1564 O ASN A 103 19.585 -4.528 -8.748 1.00 0.00 O ATOM 1565 CB ASN A 103 19.430 -2.158 -6.391 1.00 0.00 C ATOM 1566 CG ASN A 103 20.539 -3.117 -5.955 1.00 0.00 C ATOM 1567 OD1 ASN A 103 21.513 -3.341 -6.655 1.00 0.00 O ATOM 1568 ND2 ASN A 103 20.337 -3.670 -4.762 1.00 0.00 N ATOM 0 H ASN A 103 18.258 -4.432 -6.169 1.00 0.00 H new ATOM 0 HA ASN A 103 17.830 -2.058 -7.828 1.00 0.00 H new ATOM 0 HB2 ASN A 103 19.871 -1.243 -6.786 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.828 -1.875 -5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 103 21.020 -4.325 -4.381 1.00 0.00 H new ATOM 0 HD22 ASN A 103 19.499 -3.439 -4.228 1.00 0.00 H new ATOM 1575 N SER A 104 20.008 -2.380 -9.315 1.00 0.00 N ATOM 1576 CA SER A 104 20.888 -2.728 -10.418 1.00 0.00 C ATOM 1577 C SER A 104 22.120 -1.821 -10.410 1.00 0.00 C ATOM 1578 O SER A 104 22.017 -0.631 -10.118 1.00 0.00 O ATOM 1579 CB SER A 104 20.159 -2.622 -11.759 1.00 0.00 C ATOM 1580 OG SER A 104 19.575 -3.862 -12.148 1.00 0.00 O ATOM 0 H SER A 104 19.880 -1.378 -9.171 1.00 0.00 H new ATOM 0 HA SER A 104 21.206 -3.763 -10.289 1.00 0.00 H new ATOM 0 HB2 SER A 104 19.382 -1.861 -11.690 1.00 0.00 H new ATOM 0 HB3 SER A 104 20.859 -2.294 -12.527 1.00 0.00 H new ATOM 0 HG SER A 104 19.118 -3.753 -13.008 1.00 0.00 H new ATOM 1586 N SER A 105 23.257 -2.418 -10.735 1.00 0.00 N ATOM 1587 CA SER A 105 24.508 -1.679 -10.769 1.00 0.00 C ATOM 1588 C SER A 105 24.606 -0.878 -12.068 1.00 0.00 C ATOM 1589 O SER A 105 23.876 -1.142 -13.022 1.00 0.00 O ATOM 1590 CB SER A 105 25.707 -2.620 -10.633 1.00 0.00 C ATOM 1591 OG SER A 105 25.761 -3.572 -11.691 1.00 0.00 O ATOM 0 H SER A 105 23.338 -3.405 -10.977 1.00 0.00 H new ATOM 0 HA SER A 105 24.523 -0.991 -9.924 1.00 0.00 H new ATOM 0 HB2 SER A 105 26.627 -2.036 -10.624 1.00 0.00 H new ATOM 0 HB3 SER A 105 25.651 -3.142 -9.678 1.00 0.00 H new ATOM 0 HG SER A 105 26.541 -4.153 -11.569 1.00 0.00 H new ATOM 1597 N GLY A 106 25.515 0.087 -12.064 1.00 0.00 N ATOM 1598 CA GLY A 106 25.719 0.929 -13.230 1.00 0.00 C ATOM 1599 C GLY A 106 24.490 1.799 -13.499 1.00 0.00 C ATOM 1600 O GLY A 106 23.373 1.433 -13.135 1.00 0.00 O ATOM 0 H GLY A 106 26.119 0.304 -11.271 1.00 0.00 H new ATOM 0 HA2 GLY A 106 26.592 1.564 -13.077 1.00 0.00 H new ATOM 0 HA3 GLY A 106 25.926 0.307 -14.101 1.00 0.00 H new ATOM 1604 N PRO A 107 24.743 2.966 -14.151 1.00 0.00 N ATOM 1605 CA PRO A 107 23.671 3.892 -14.472 1.00 0.00 C ATOM 1606 C PRO A 107 22.836 3.377 -15.647 1.00 0.00 C ATOM 1607 O PRO A 107 22.822 3.985 -16.716 1.00 0.00 O ATOM 1608 CB PRO A 107 24.366 5.210 -14.770 1.00 0.00 C ATOM 1609 CG PRO A 107 25.817 4.861 -15.059 1.00 0.00 C ATOM 1610 CD PRO A 107 26.053 3.432 -14.597 1.00 0.00 C ATOM 0 HA PRO A 107 22.957 4.009 -13.656 1.00 0.00 H new ATOM 0 HB2 PRO A 107 23.907 5.709 -15.623 1.00 0.00 H new ATOM 0 HB3 PRO A 107 24.290 5.892 -13.923 1.00 0.00 H new ATOM 0 HG2 PRO A 107 26.028 4.958 -16.124 1.00 0.00 H new ATOM 0 HG3 PRO A 107 26.486 5.546 -14.538 1.00 0.00 H new ATOM 0 HD2 PRO A 107 26.439 2.813 -15.407 1.00 0.00 H new ATOM 0 HD3 PRO A 107 26.784 3.392 -13.789 1.00 0.00 H new ATOM 1618 N SER A 108 22.161 2.262 -15.408 1.00 0.00 N ATOM 1619 CA SER A 108 21.325 1.659 -16.432 1.00 0.00 C ATOM 1620 C SER A 108 19.936 1.360 -15.866 1.00 0.00 C ATOM 1621 O SER A 108 19.805 0.981 -14.703 1.00 0.00 O ATOM 1622 CB SER A 108 21.962 0.380 -16.980 1.00 0.00 C ATOM 1623 OG SER A 108 22.745 0.630 -18.144 1.00 0.00 O ATOM 0 H SER A 108 22.176 1.760 -14.520 1.00 0.00 H new ATOM 0 HA SER A 108 21.229 2.367 -17.255 1.00 0.00 H new ATOM 0 HB2 SER A 108 22.589 -0.071 -16.211 1.00 0.00 H new ATOM 0 HB3 SER A 108 21.180 -0.342 -17.217 1.00 0.00 H new ATOM 0 HG SER A 108 23.136 -0.211 -18.462 1.00 0.00 H new ATOM 1629 N SER A 109 18.935 1.541 -16.714 1.00 0.00 N ATOM 1630 CA SER A 109 17.560 1.295 -16.312 1.00 0.00 C ATOM 1631 C SER A 109 16.944 0.207 -17.194 1.00 0.00 C ATOM 1632 O SER A 109 16.706 0.426 -18.381 1.00 0.00 O ATOM 1633 CB SER A 109 16.726 2.575 -16.388 1.00 0.00 C ATOM 1634 OG SER A 109 17.303 3.634 -15.628 1.00 0.00 O ATOM 0 H SER A 109 19.048 1.855 -17.678 1.00 0.00 H new ATOM 0 HA SER A 109 17.562 0.956 -15.276 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.632 2.885 -17.429 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.719 2.374 -16.023 1.00 0.00 H new ATOM 0 HG SER A 109 16.742 4.434 -15.703 1.00 0.00 H new ATOM 1640 N GLY A 110 16.702 -0.942 -16.580 1.00 0.00 N ATOM 1641 CA GLY A 110 16.118 -2.064 -17.294 1.00 0.00 C ATOM 1642 C GLY A 110 15.467 -3.052 -16.325 1.00 0.00 C ATOM 1643 O GLY A 110 15.775 -4.243 -16.346 1.00 0.00 O ATOM 0 H GLY A 110 16.900 -1.120 -15.595 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.374 -1.701 -18.003 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.889 -2.572 -17.873 1.00 0.00 H new TER 1647 GLY A 110