USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 885 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 59 SER OG : rot -129:sc= 1.3 USER MOD Set 1.2: A 94 HIS : no HE2:sc= 1.96 K(o=3.3,f=-7!) USER MOD Set 2.1: A 52 HIS : no HE2:sc= 0.527 K(o=-2.8,f=-10!) USER MOD Set 2.2: A 77 ASN : amide:sc= -3.37! C(o=-2.8!,f=-9.9!) USER MOD Set 3.1: A 39 ASN : amide:sc= -1.49! K(o=3!,f=-0.3) USER MOD Set 3.2: A 70 LYS NZ :NH3+ -164:sc= 2.26 (180deg=0.864) USER MOD Set 3.3: A 75 TYR OH : rot 157:sc= 2.21 USER MOD Set 4.1: A 23 THR OG1 : rot -22:sc= 1.63 USER MOD Set 4.2: A 24 ASN : amide:sc= -1.67 K(o=-3.2,f=-9.8!) USER MOD Set 4.3: A 72 CYS SG : rot -150:sc= -2.1! USER MOD Set 4.4: A 74 HIS : no HE2:sc= -1.06 K(o=-3.2,f=-3.7) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0661 (180deg=-0.369) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.499 (180deg=-0.577) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= 1.18 (180deg=0.623) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 0.933 (180deg=0.484) USER MOD Single : A 26 THR OG1 : rot 160:sc= -0.267 USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 34 ASN : amide:sc= 1.53 K(o=1.5,f=0.35) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -160:sc= -0.133 (180deg=-0.615) USER MOD Single : A 47 THR OG1 : rot 50:sc= 1.2 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 60 SER OG : rot 94:sc= 1.24 USER MOD Single : A 61 SER OG : rot -130:sc= 0.673 USER MOD Single : A 67 SER OG : rot 180:sc= 0.179 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -4.36! C(o=-4.4!,f=-9.9!) USER MOD Single : A 89 HIS : no HD1:sc= -1.77 X(o=-1.8,f=-2.1) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0119 USER MOD Single : A 97 SER OG : rot 180:sc= -1.19 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0568 X(o=-0.057,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.734 -8.170 9.142 1.00 0.00 N ATOM 2 CA MET A 1 -10.957 -9.397 8.845 1.00 0.00 C ATOM 3 C MET A 1 -9.632 -9.044 8.201 1.00 0.00 C ATOM 4 O MET A 1 -8.965 -9.896 7.614 1.00 0.00 O ATOM 5 CB MET A 1 -11.746 -10.285 7.896 1.00 0.00 C ATOM 6 CG MET A 1 -13.110 -10.700 8.424 1.00 0.00 C ATOM 7 SD MET A 1 -13.017 -11.563 10.004 1.00 0.00 S ATOM 8 CE MET A 1 -12.094 -13.025 9.537 1.00 0.00 C ATOM 0 H1 MET A 1 -12.646 -8.431 9.567 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.200 -7.573 9.806 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.901 -7.643 8.261 1.00 0.00 H new ATOM 0 HA MET A 1 -10.771 -9.923 9.782 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.879 -9.760 6.950 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.162 -11.181 7.684 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.736 -9.814 8.536 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.597 -11.344 7.692 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.180 -13.776 10.322 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.494 -13.426 8.606 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.045 -12.764 9.398 1.00 0.00 H new ATOM 20 N TYR A 2 -9.261 -7.784 8.352 1.00 0.00 N ATOM 21 CA TYR A 2 -8.128 -7.190 7.641 1.00 0.00 C ATOM 22 C TYR A 2 -8.423 -7.102 6.150 1.00 0.00 C ATOM 23 O TYR A 2 -9.383 -7.693 5.653 1.00 0.00 O ATOM 24 CB TYR A 2 -6.817 -7.950 7.896 1.00 0.00 C ATOM 25 CG TYR A 2 -6.260 -7.736 9.286 1.00 0.00 C ATOM 26 CD1 TYR A 2 -6.734 -8.463 10.371 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.265 -6.794 9.513 1.00 0.00 C ATOM 28 CE1 TYR A 2 -6.231 -8.258 11.642 1.00 0.00 C ATOM 29 CE2 TYR A 2 -4.757 -6.581 10.779 1.00 0.00 C ATOM 30 CZ TYR A 2 -5.242 -7.315 11.842 1.00 0.00 C ATOM 31 OH TYR A 2 -4.737 -7.102 13.107 1.00 0.00 O ATOM 0 H TYR A 2 -9.738 -7.134 8.976 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.991 -6.182 8.033 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -6.987 -9.015 7.741 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -6.075 -7.635 7.163 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.508 -9.200 10.219 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.882 -6.218 8.684 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -6.609 -8.832 12.475 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -3.984 -5.844 10.937 1.00 0.00 H new ATOM 0 HH TYR A 2 -4.048 -6.406 13.071 1.00 0.00 H new ATOM 41 N LEU A 3 -7.621 -6.334 5.442 1.00 0.00 N ATOM 42 CA LEU A 3 -7.818 -6.169 4.016 1.00 0.00 C ATOM 43 C LEU A 3 -6.870 -7.069 3.252 1.00 0.00 C ATOM 44 O LEU A 3 -5.658 -7.019 3.461 1.00 0.00 O ATOM 45 CB LEU A 3 -7.605 -4.710 3.602 1.00 0.00 C ATOM 46 CG LEU A 3 -8.539 -3.698 4.268 1.00 0.00 C ATOM 47 CD1 LEU A 3 -8.248 -2.295 3.760 1.00 0.00 C ATOM 48 CD2 LEU A 3 -9.996 -4.068 4.024 1.00 0.00 C ATOM 0 H LEU A 3 -6.831 -5.817 5.827 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.845 -6.447 3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.575 -4.432 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.726 -4.635 2.521 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.360 -3.719 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.921 -1.586 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.216 -2.031 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.398 -2.260 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.643 -3.335 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.194 -4.078 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.195 -5.056 4.439 1.00 0.00 H new ATOM 60 N ARG A 4 -7.423 -7.913 2.395 1.00 0.00 N ATOM 61 CA ARG A 4 -6.604 -8.734 1.523 1.00 0.00 C ATOM 62 C ARG A 4 -5.866 -7.838 0.540 1.00 0.00 C ATOM 63 O ARG A 4 -6.313 -6.722 0.262 1.00 0.00 O ATOM 64 CB ARG A 4 -7.454 -9.746 0.750 1.00 0.00 C ATOM 65 CG ARG A 4 -8.200 -10.742 1.622 1.00 0.00 C ATOM 66 CD ARG A 4 -8.968 -11.734 0.762 1.00 0.00 C ATOM 67 NE ARG A 4 -9.784 -11.056 -0.247 1.00 0.00 N ATOM 68 CZ ARG A 4 -10.209 -11.618 -1.377 1.00 0.00 C ATOM 69 NH1 ARG A 4 -9.975 -12.903 -1.616 1.00 0.00 N ATOM 70 NH2 ARG A 4 -10.891 -10.900 -2.259 1.00 0.00 N ATOM 0 H ARG A 4 -8.428 -8.046 2.286 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.894 -9.287 2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.177 -9.203 0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.808 -10.295 0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.495 -11.275 2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.889 -10.213 2.280 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.267 -12.409 0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.608 -12.347 1.397 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.045 -10.086 -0.072 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.467 -13.465 -0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.303 -13.328 -2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.090 -9.917 -2.072 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.217 -11.330 -3.125 1.00 0.00 H new ATOM 84 N PRO A 5 -4.740 -8.312 -0.008 1.00 0.00 N ATOM 85 CA PRO A 5 -3.974 -7.574 -1.016 1.00 0.00 C ATOM 86 C PRO A 5 -4.869 -7.131 -2.169 1.00 0.00 C ATOM 87 O PRO A 5 -4.687 -6.059 -2.746 1.00 0.00 O ATOM 88 CB PRO A 5 -2.925 -8.587 -1.504 1.00 0.00 C ATOM 89 CG PRO A 5 -3.339 -9.906 -0.934 1.00 0.00 C ATOM 90 CD PRO A 5 -4.126 -9.604 0.308 1.00 0.00 C ATOM 0 HA PRO A 5 -3.528 -6.664 -0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.893 -8.624 -2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.927 -8.310 -1.165 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.942 -10.466 -1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.468 -10.519 -0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.875 -10.370 0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.486 -9.544 1.189 1.00 0.00 H new ATOM 98 N ASP A 6 -5.846 -7.974 -2.479 1.00 0.00 N ATOM 99 CA ASP A 6 -6.851 -7.666 -3.484 1.00 0.00 C ATOM 100 C ASP A 6 -7.630 -6.411 -3.100 1.00 0.00 C ATOM 101 O ASP A 6 -7.640 -5.433 -3.841 1.00 0.00 O ATOM 102 CB ASP A 6 -7.809 -8.849 -3.644 1.00 0.00 C ATOM 103 CG ASP A 6 -7.106 -10.107 -4.118 1.00 0.00 C ATOM 104 OD1 ASP A 6 -6.354 -10.714 -3.326 1.00 0.00 O ATOM 105 OD2 ASP A 6 -7.303 -10.501 -5.287 1.00 0.00 O ATOM 0 H ASP A 6 -5.962 -8.888 -2.041 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.347 -7.482 -4.433 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.298 -9.048 -2.690 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.592 -8.585 -4.355 1.00 0.00 H new ATOM 110 N GLU A 7 -8.259 -6.438 -1.923 1.00 0.00 N ATOM 111 CA GLU A 7 -9.060 -5.306 -1.448 1.00 0.00 C ATOM 112 C GLU A 7 -8.236 -4.025 -1.377 1.00 0.00 C ATOM 113 O GLU A 7 -8.726 -2.951 -1.728 1.00 0.00 O ATOM 114 CB GLU A 7 -9.679 -5.591 -0.075 1.00 0.00 C ATOM 115 CG GLU A 7 -10.994 -6.356 -0.128 1.00 0.00 C ATOM 116 CD GLU A 7 -10.820 -7.822 -0.459 1.00 0.00 C ATOM 117 OE1 GLU A 7 -10.437 -8.588 0.444 1.00 0.00 O ATOM 118 OE2 GLU A 7 -11.081 -8.219 -1.615 1.00 0.00 O ATOM 0 H GLU A 7 -8.230 -7.230 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.862 -5.167 -2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.965 -6.159 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.843 -4.645 0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.498 -6.265 0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.644 -5.897 -0.873 1.00 0.00 H new ATOM 125 N VAL A 8 -6.993 -4.141 -0.921 1.00 0.00 N ATOM 126 CA VAL A 8 -6.097 -2.989 -0.846 1.00 0.00 C ATOM 127 C VAL A 8 -5.932 -2.359 -2.227 1.00 0.00 C ATOM 128 O VAL A 8 -6.075 -1.145 -2.391 1.00 0.00 O ATOM 129 CB VAL A 8 -4.709 -3.380 -0.285 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.770 -2.181 -0.263 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.843 -3.973 1.110 1.00 0.00 C ATOM 0 H VAL A 8 -6.583 -5.017 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.547 -2.267 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.281 -4.135 -0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.802 -2.484 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.642 -1.800 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.193 -1.399 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.856 -4.242 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.299 -3.239 1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.470 -4.863 1.068 1.00 0.00 H new ATOM 141 N ALA A 9 -5.655 -3.200 -3.218 1.00 0.00 N ATOM 142 CA ALA A 9 -5.527 -2.753 -4.598 1.00 0.00 C ATOM 143 C ALA A 9 -6.824 -2.118 -5.100 1.00 0.00 C ATOM 144 O ALA A 9 -6.801 -1.093 -5.779 1.00 0.00 O ATOM 145 CB ALA A 9 -5.122 -3.921 -5.486 1.00 0.00 C ATOM 0 H ALA A 9 -5.514 -4.202 -3.088 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.750 -1.989 -4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.028 -3.579 -6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.166 -4.321 -5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.881 -4.701 -5.430 1.00 0.00 H new ATOM 151 N ARG A 10 -7.954 -2.729 -4.747 1.00 0.00 N ATOM 152 CA ARG A 10 -9.270 -2.232 -5.155 1.00 0.00 C ATOM 153 C ARG A 10 -9.513 -0.813 -4.642 1.00 0.00 C ATOM 154 O ARG A 10 -10.043 0.033 -5.363 1.00 0.00 O ATOM 155 CB ARG A 10 -10.381 -3.158 -4.648 1.00 0.00 C ATOM 156 CG ARG A 10 -10.754 -4.290 -5.601 1.00 0.00 C ATOM 157 CD ARG A 10 -9.546 -5.102 -6.033 1.00 0.00 C ATOM 158 NE ARG A 10 -9.871 -6.514 -6.224 1.00 0.00 N ATOM 159 CZ ARG A 10 -9.050 -7.398 -6.786 1.00 0.00 C ATOM 160 NH1 ARG A 10 -7.880 -7.011 -7.281 1.00 0.00 N ATOM 161 NH2 ARG A 10 -9.411 -8.672 -6.865 1.00 0.00 N ATOM 0 H ARG A 10 -7.986 -3.574 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.287 -2.215 -6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.069 -3.590 -3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.271 -2.560 -4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.476 -4.947 -5.116 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.243 -3.874 -6.482 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.149 -4.693 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.761 -5.010 -5.283 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.783 -6.842 -5.907 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.605 -6.030 -7.232 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.256 -7.695 -7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.314 -8.970 -6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.786 -9.354 -7.295 1.00 0.00 H new ATOM 175 N VAL A 11 -9.128 -0.560 -3.393 1.00 0.00 N ATOM 176 CA VAL A 11 -9.273 0.769 -2.808 1.00 0.00 C ATOM 177 C VAL A 11 -8.381 1.765 -3.538 1.00 0.00 C ATOM 178 O VAL A 11 -8.789 2.895 -3.814 1.00 0.00 O ATOM 179 CB VAL A 11 -8.940 0.782 -1.297 1.00 0.00 C ATOM 180 CG1 VAL A 11 -9.018 2.196 -0.733 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.882 -0.138 -0.535 1.00 0.00 C ATOM 0 H VAL A 11 -8.715 -1.254 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.318 1.058 -2.920 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.919 0.420 -1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.780 2.177 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.305 2.835 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.025 2.588 -0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.633 -0.116 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.910 0.198 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.779 -1.156 -0.911 1.00 0.00 H new ATOM 191 N LEU A 12 -7.172 1.328 -3.869 1.00 0.00 N ATOM 192 CA LEU A 12 -6.241 2.156 -4.622 1.00 0.00 C ATOM 193 C LEU A 12 -6.829 2.528 -5.978 1.00 0.00 C ATOM 194 O LEU A 12 -6.755 3.683 -6.399 1.00 0.00 O ATOM 195 CB LEU A 12 -4.904 1.435 -4.805 1.00 0.00 C ATOM 196 CG LEU A 12 -4.141 1.142 -3.513 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.856 0.395 -3.812 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.843 2.431 -2.761 1.00 0.00 C ATOM 0 H LEU A 12 -6.814 0.404 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.067 3.071 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.085 0.493 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.270 2.039 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.768 0.513 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.326 0.195 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.090 -0.548 -4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.227 1.000 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.300 2.200 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.237 3.086 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.779 2.931 -2.512 1.00 0.00 H new ATOM 210 N GLU A 13 -7.430 1.553 -6.653 1.00 0.00 N ATOM 211 CA GLU A 13 -8.069 1.793 -7.937 1.00 0.00 C ATOM 212 C GLU A 13 -9.162 2.846 -7.816 1.00 0.00 C ATOM 213 O GLU A 13 -9.338 3.680 -8.704 1.00 0.00 O ATOM 214 CB GLU A 13 -8.666 0.503 -8.477 1.00 0.00 C ATOM 215 CG GLU A 13 -7.641 -0.561 -8.803 1.00 0.00 C ATOM 216 CD GLU A 13 -8.230 -1.664 -9.647 1.00 0.00 C ATOM 217 OE1 GLU A 13 -8.387 -1.452 -10.868 1.00 0.00 O ATOM 218 OE2 GLU A 13 -8.554 -2.736 -9.097 1.00 0.00 O ATOM 0 H GLU A 13 -7.486 0.588 -6.329 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.308 2.158 -8.626 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.367 0.105 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.239 0.729 -9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.802 -0.108 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.247 -0.982 -7.878 1.00 0.00 H new ATOM 225 N LYS A 14 -9.882 2.802 -6.702 1.00 0.00 N ATOM 226 CA LYS A 14 -10.946 3.759 -6.422 1.00 0.00 C ATOM 227 C LYS A 14 -10.369 5.160 -6.295 1.00 0.00 C ATOM 228 O LYS A 14 -10.979 6.142 -6.708 1.00 0.00 O ATOM 229 CB LYS A 14 -11.647 3.376 -5.125 1.00 0.00 C ATOM 230 CG LYS A 14 -13.048 3.955 -4.985 1.00 0.00 C ATOM 231 CD LYS A 14 -13.781 3.360 -3.793 1.00 0.00 C ATOM 232 CE LYS A 14 -13.148 3.761 -2.469 1.00 0.00 C ATOM 233 NZ LYS A 14 -13.324 5.209 -2.183 1.00 0.00 N ATOM 0 H LYS A 14 -9.746 2.105 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.663 3.744 -7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.706 2.289 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.041 3.711 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.986 5.037 -4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.615 3.762 -5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.821 3.685 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.785 2.273 -3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.591 3.176 -1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.085 3.522 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.314 5.363 -1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.549 5.746 -2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.233 5.532 -2.573 1.00 0.00 H new ATOM 247 N ALA A 15 -9.182 5.225 -5.714 1.00 0.00 N ATOM 248 CA ALA A 15 -8.464 6.488 -5.542 1.00 0.00 C ATOM 249 C ALA A 15 -7.836 6.966 -6.858 1.00 0.00 C ATOM 250 O ALA A 15 -7.226 8.034 -6.915 1.00 0.00 O ATOM 251 CB ALA A 15 -7.399 6.338 -4.465 1.00 0.00 C ATOM 0 H ALA A 15 -8.687 4.411 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.184 7.245 -5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.869 7.283 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.871 6.063 -3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.693 5.561 -4.757 1.00 0.00 H new ATOM 257 N GLY A 16 -7.985 6.173 -7.909 1.00 0.00 N ATOM 258 CA GLY A 16 -7.463 6.556 -9.207 1.00 0.00 C ATOM 259 C GLY A 16 -6.070 6.019 -9.451 1.00 0.00 C ATOM 260 O GLY A 16 -5.378 6.450 -10.374 1.00 0.00 O ATOM 0 H GLY A 16 -8.459 5.270 -7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.132 6.191 -9.986 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.449 7.643 -9.283 1.00 0.00 H new ATOM 264 N PHE A 17 -5.649 5.081 -8.619 1.00 0.00 N ATOM 265 CA PHE A 17 -4.325 4.498 -8.738 1.00 0.00 C ATOM 266 C PHE A 17 -4.277 3.450 -9.842 1.00 0.00 C ATOM 267 O PHE A 17 -5.280 2.805 -10.154 1.00 0.00 O ATOM 268 CB PHE A 17 -3.896 3.871 -7.418 1.00 0.00 C ATOM 269 CG PHE A 17 -3.347 4.850 -6.418 1.00 0.00 C ATOM 270 CD1 PHE A 17 -4.174 5.769 -5.793 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.996 4.849 -6.105 1.00 0.00 C ATOM 272 CE1 PHE A 17 -3.665 6.669 -4.876 1.00 0.00 C ATOM 273 CE2 PHE A 17 -1.482 5.746 -5.189 1.00 0.00 C ATOM 274 CZ PHE A 17 -2.317 6.657 -4.573 1.00 0.00 C ATOM 0 H PHE A 17 -6.208 4.707 -7.852 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.635 5.302 -8.996 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.752 3.360 -6.977 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.140 3.112 -7.618 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.229 5.782 -6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.338 4.138 -6.583 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.320 7.381 -4.397 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.428 5.735 -4.955 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.917 7.359 -3.856 1.00 0.00 H new ATOM 284 N THR A 18 -3.099 3.280 -10.419 1.00 0.00 N ATOM 285 CA THR A 18 -2.910 2.360 -11.527 1.00 0.00 C ATOM 286 C THR A 18 -1.731 1.427 -11.267 1.00 0.00 C ATOM 287 O THR A 18 -0.899 1.697 -10.397 1.00 0.00 O ATOM 288 CB THR A 18 -2.691 3.137 -12.840 1.00 0.00 C ATOM 289 OG1 THR A 18 -1.796 4.236 -12.614 1.00 0.00 O ATOM 290 CG2 THR A 18 -4.012 3.661 -13.382 1.00 0.00 C ATOM 0 H THR A 18 -2.252 3.772 -10.135 1.00 0.00 H new ATOM 0 HA THR A 18 -3.812 1.755 -11.621 1.00 0.00 H new ATOM 0 HB THR A 18 -2.257 2.457 -13.573 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.660 4.725 -13.452 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.834 4.206 -14.309 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.683 2.824 -13.576 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.467 4.328 -12.650 1.00 0.00 H new ATOM 298 N VAL A 19 -1.666 0.331 -12.015 1.00 0.00 N ATOM 299 CA VAL A 19 -0.602 -0.651 -11.846 1.00 0.00 C ATOM 300 C VAL A 19 0.722 -0.141 -12.426 1.00 0.00 C ATOM 301 O VAL A 19 0.758 0.437 -13.514 1.00 0.00 O ATOM 302 CB VAL A 19 -0.980 -2.011 -12.493 1.00 0.00 C ATOM 303 CG1 VAL A 19 -1.261 -1.856 -13.981 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.107 -3.048 -12.256 1.00 0.00 C ATOM 0 H VAL A 19 -2.339 0.100 -12.746 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.473 -0.805 -10.775 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.895 -2.361 -12.014 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.523 -2.826 -14.405 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.089 -1.162 -14.125 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.373 -1.469 -14.481 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.183 -3.991 -12.719 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.043 -2.701 -12.694 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.241 -3.196 -11.184 1.00 0.00 H new ATOM 314 N ASP A 20 1.789 -0.325 -11.663 1.00 0.00 N ATOM 315 CA ASP A 20 3.138 0.018 -12.099 1.00 0.00 C ATOM 316 C ASP A 20 3.853 -1.240 -12.566 1.00 0.00 C ATOM 317 O ASP A 20 4.511 -1.259 -13.607 1.00 0.00 O ATOM 318 CB ASP A 20 3.921 0.658 -10.946 1.00 0.00 C ATOM 319 CG ASP A 20 5.361 0.969 -11.309 1.00 0.00 C ATOM 320 OD1 ASP A 20 6.233 0.096 -11.121 1.00 0.00 O ATOM 321 OD2 ASP A 20 5.628 2.092 -11.780 1.00 0.00 O ATOM 0 H ASP A 20 1.746 -0.717 -10.722 1.00 0.00 H new ATOM 0 HA ASP A 20 3.076 0.731 -12.921 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.422 1.578 -10.642 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.905 -0.013 -10.087 1.00 0.00 H new ATOM 326 N VAL A 21 3.693 -2.294 -11.785 1.00 0.00 N ATOM 327 CA VAL A 21 4.311 -3.578 -12.065 1.00 0.00 C ATOM 328 C VAL A 21 3.530 -4.665 -11.330 1.00 0.00 C ATOM 329 O VAL A 21 2.714 -4.361 -10.461 1.00 0.00 O ATOM 330 CB VAL A 21 5.801 -3.592 -11.630 1.00 0.00 C ATOM 331 CG1 VAL A 21 5.938 -3.480 -10.118 1.00 0.00 C ATOM 332 CG2 VAL A 21 6.523 -4.832 -12.141 1.00 0.00 C ATOM 0 H VAL A 21 3.129 -2.283 -10.935 1.00 0.00 H new ATOM 0 HA VAL A 21 4.285 -3.762 -13.139 1.00 0.00 H new ATOM 0 HB VAL A 21 6.273 -2.719 -12.080 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.994 -3.493 -9.846 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.488 -2.547 -9.780 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.431 -4.320 -9.644 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.563 -4.807 -11.817 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.040 -5.724 -11.742 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.483 -4.854 -13.230 1.00 0.00 H new ATOM 342 N VAL A 22 3.748 -5.916 -11.684 1.00 0.00 N ATOM 343 CA VAL A 22 3.098 -7.020 -11.005 1.00 0.00 C ATOM 344 C VAL A 22 4.031 -8.225 -10.945 1.00 0.00 C ATOM 345 O VAL A 22 4.453 -8.751 -11.973 1.00 0.00 O ATOM 346 CB VAL A 22 1.748 -7.387 -11.675 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.906 -7.555 -13.178 1.00 0.00 C ATOM 348 CG2 VAL A 22 1.147 -8.640 -11.053 1.00 0.00 C ATOM 0 H VAL A 22 4.373 -6.194 -12.441 1.00 0.00 H new ATOM 0 HA VAL A 22 2.873 -6.706 -9.986 1.00 0.00 H new ATOM 0 HB VAL A 22 1.060 -6.560 -11.499 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.943 -7.812 -13.619 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.267 -6.623 -13.612 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.622 -8.351 -13.382 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.202 -8.872 -11.543 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.836 -9.475 -11.179 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.973 -8.471 -9.990 1.00 0.00 H new ATOM 358 N THR A 23 4.389 -8.625 -9.734 1.00 0.00 N ATOM 359 CA THR A 23 5.271 -9.764 -9.551 1.00 0.00 C ATOM 360 C THR A 23 4.592 -10.827 -8.698 1.00 0.00 C ATOM 361 O THR A 23 3.609 -10.544 -8.008 1.00 0.00 O ATOM 362 CB THR A 23 6.621 -9.355 -8.914 1.00 0.00 C ATOM 363 OG1 THR A 23 6.423 -8.796 -7.607 1.00 0.00 O ATOM 364 CG2 THR A 23 7.350 -8.346 -9.793 1.00 0.00 C ATOM 0 H THR A 23 4.083 -8.180 -8.869 1.00 0.00 H new ATOM 0 HA THR A 23 5.482 -10.173 -10.539 1.00 0.00 H new ATOM 0 HB THR A 23 7.229 -10.255 -8.825 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.503 -8.468 -7.528 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.296 -8.073 -9.326 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.542 -8.787 -10.771 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.734 -7.455 -9.912 1.00 0.00 H new ATOM 372 N ASN A 24 5.129 -12.039 -8.743 1.00 0.00 N ATOM 373 CA ASN A 24 4.558 -13.185 -8.034 1.00 0.00 C ATOM 374 C ASN A 24 4.436 -12.954 -6.526 1.00 0.00 C ATOM 375 O ASN A 24 3.622 -13.597 -5.860 1.00 0.00 O ATOM 376 CB ASN A 24 5.400 -14.442 -8.298 1.00 0.00 C ATOM 377 CG ASN A 24 6.896 -14.223 -8.101 1.00 0.00 C ATOM 378 OD1 ASN A 24 7.327 -13.359 -7.334 1.00 0.00 O ATOM 379 ND2 ASN A 24 7.701 -15.010 -8.795 1.00 0.00 N ATOM 0 H ASN A 24 5.973 -12.259 -9.271 1.00 0.00 H new ATOM 0 HA ASN A 24 3.548 -13.321 -8.421 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.067 -15.239 -7.634 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.222 -14.782 -9.318 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.712 -14.912 -8.705 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.311 -15.715 -9.421 1.00 0.00 H new ATOM 386 N LYS A 25 5.236 -12.047 -5.988 1.00 0.00 N ATOM 387 CA LYS A 25 5.263 -11.826 -4.550 1.00 0.00 C ATOM 388 C LYS A 25 4.569 -10.527 -4.148 1.00 0.00 C ATOM 389 O LYS A 25 4.226 -10.342 -2.980 1.00 0.00 O ATOM 390 CB LYS A 25 6.706 -11.824 -4.047 1.00 0.00 C ATOM 391 CG LYS A 25 7.386 -13.179 -4.164 1.00 0.00 C ATOM 392 CD LYS A 25 8.879 -13.090 -3.896 1.00 0.00 C ATOM 393 CE LYS A 25 9.181 -12.651 -2.473 1.00 0.00 C ATOM 394 NZ LYS A 25 8.787 -13.675 -1.465 1.00 0.00 N ATOM 0 H LYS A 25 5.872 -11.455 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 25 4.712 -12.645 -4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.279 -11.088 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.719 -11.507 -3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.932 -13.875 -3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.220 -13.583 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.338 -14.061 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.331 -12.386 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.247 -12.444 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.655 -11.719 -2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.821 -13.257 -0.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.821 -14.004 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.444 -14.480 -1.513 1.00 0.00 H new ATOM 408 N THR A 26 4.351 -9.626 -5.103 1.00 0.00 N ATOM 409 CA THR A 26 3.757 -8.333 -4.783 1.00 0.00 C ATOM 410 C THR A 26 3.401 -7.530 -6.034 1.00 0.00 C ATOM 411 O THR A 26 4.050 -7.645 -7.079 1.00 0.00 O ATOM 412 CB THR A 26 4.704 -7.509 -3.869 1.00 0.00 C ATOM 413 OG1 THR A 26 4.203 -6.185 -3.662 1.00 0.00 O ATOM 414 CG2 THR A 26 6.106 -7.440 -4.446 1.00 0.00 C ATOM 0 H THR A 26 4.573 -9.764 -6.089 1.00 0.00 H new ATOM 0 HA THR A 26 2.827 -8.534 -4.251 1.00 0.00 H new ATOM 0 HB THR A 26 4.746 -8.022 -2.908 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.615 -5.801 -2.860 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.744 -6.856 -3.783 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.509 -8.448 -4.543 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.073 -6.966 -5.427 1.00 0.00 H new ATOM 422 N TYR A 27 2.354 -6.722 -5.910 1.00 0.00 N ATOM 423 CA TYR A 27 1.954 -5.796 -6.957 1.00 0.00 C ATOM 424 C TYR A 27 2.747 -4.507 -6.825 1.00 0.00 C ATOM 425 O TYR A 27 3.285 -4.206 -5.760 1.00 0.00 O ATOM 426 CB TYR A 27 0.469 -5.436 -6.852 1.00 0.00 C ATOM 427 CG TYR A 27 -0.502 -6.572 -7.055 1.00 0.00 C ATOM 428 CD1 TYR A 27 -0.756 -7.075 -8.322 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.194 -7.115 -5.981 1.00 0.00 C ATOM 430 CE1 TYR A 27 -1.669 -8.094 -8.515 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.113 -8.129 -6.165 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.347 -8.616 -7.432 1.00 0.00 C ATOM 433 OH TYR A 27 -3.269 -9.622 -7.618 1.00 0.00 O ATOM 0 H TYR A 27 1.761 -6.692 -5.081 1.00 0.00 H new ATOM 0 HA TYR A 27 2.142 -6.284 -7.913 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.289 -5.002 -5.868 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.250 -4.661 -7.587 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.232 -6.664 -9.172 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.011 -6.738 -4.986 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.851 -8.480 -9.507 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.646 -8.538 -5.319 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.011 -10.163 -8.393 1.00 0.00 H new ATOM 443 N GLY A 28 2.811 -3.760 -7.904 1.00 0.00 N ATOM 444 CA GLY A 28 3.350 -2.423 -7.863 1.00 0.00 C ATOM 445 C GLY A 28 2.297 -1.433 -8.298 1.00 0.00 C ATOM 446 O GLY A 28 1.671 -1.617 -9.338 1.00 0.00 O ATOM 0 H GLY A 28 2.494 -4.060 -8.826 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.688 -2.188 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.220 -2.352 -8.515 1.00 0.00 H new ATOM 450 N TYR A 29 2.079 -0.405 -7.507 1.00 0.00 N ATOM 451 CA TYR A 29 0.994 0.526 -7.750 1.00 0.00 C ATOM 452 C TYR A 29 1.485 1.967 -7.703 1.00 0.00 C ATOM 453 O TYR A 29 2.352 2.306 -6.901 1.00 0.00 O ATOM 454 CB TYR A 29 -0.101 0.289 -6.713 1.00 0.00 C ATOM 455 CG TYR A 29 -1.268 -0.516 -7.244 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.214 -1.903 -7.287 1.00 0.00 C ATOM 457 CD2 TYR A 29 -2.418 0.109 -7.714 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.270 -2.645 -7.781 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.478 -0.628 -8.211 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.399 -2.004 -8.241 1.00 0.00 C ATOM 461 OH TYR A 29 -4.452 -2.740 -8.737 1.00 0.00 O ATOM 0 H TYR A 29 2.642 -0.190 -6.684 1.00 0.00 H new ATOM 0 HA TYR A 29 0.592 0.357 -8.749 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.328 -0.229 -5.855 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.466 1.251 -6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.331 -2.411 -6.928 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.485 1.187 -7.691 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.210 -3.723 -7.806 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.364 -0.128 -8.574 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.170 -2.135 -9.018 1.00 0.00 H new ATOM 471 N ARG A 30 0.941 2.814 -8.571 1.00 0.00 N ATOM 472 CA ARG A 30 1.379 4.202 -8.639 1.00 0.00 C ATOM 473 C ARG A 30 0.254 5.135 -9.085 1.00 0.00 C ATOM 474 O ARG A 30 -0.641 4.741 -9.840 1.00 0.00 O ATOM 475 CB ARG A 30 2.564 4.338 -9.604 1.00 0.00 C ATOM 476 CG ARG A 30 2.184 4.173 -11.070 1.00 0.00 C ATOM 477 CD ARG A 30 3.376 4.361 -11.996 1.00 0.00 C ATOM 478 NE ARG A 30 2.971 4.370 -13.403 1.00 0.00 N ATOM 479 CZ ARG A 30 3.429 3.521 -14.323 1.00 0.00 C ATOM 480 NH1 ARG A 30 4.352 2.624 -14.012 1.00 0.00 N ATOM 481 NH2 ARG A 30 2.973 3.586 -15.564 1.00 0.00 N ATOM 0 H ARG A 30 0.203 2.566 -9.231 1.00 0.00 H new ATOM 0 HA ARG A 30 1.683 4.493 -7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.023 5.317 -9.465 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.317 3.593 -9.347 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.759 3.181 -11.224 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.409 4.895 -11.326 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.879 5.298 -11.756 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.096 3.560 -11.830 1.00 0.00 H new ATOM 0 HE ARG A 30 2.293 5.073 -13.699 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.719 2.578 -13.061 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.696 1.979 -14.723 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.273 4.284 -15.814 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.322 2.938 -16.270 1.00 0.00 H new ATOM 495 N ARG A 31 0.298 6.362 -8.585 1.00 0.00 N ATOM 496 CA ARG A 31 -0.523 7.448 -9.107 1.00 0.00 C ATOM 497 C ARG A 31 0.262 8.743 -8.977 1.00 0.00 C ATOM 498 O ARG A 31 0.666 9.114 -7.872 1.00 0.00 O ATOM 499 CB ARG A 31 -1.859 7.583 -8.368 1.00 0.00 C ATOM 500 CG ARG A 31 -2.933 8.250 -9.216 1.00 0.00 C ATOM 501 CD ARG A 31 -4.083 8.799 -8.382 1.00 0.00 C ATOM 502 NE ARG A 31 -3.828 10.169 -7.938 1.00 0.00 N ATOM 503 CZ ARG A 31 -4.716 11.160 -8.038 1.00 0.00 C ATOM 504 NH1 ARG A 31 -5.953 10.917 -8.465 1.00 0.00 N ATOM 505 NH2 ARG A 31 -4.371 12.389 -7.690 1.00 0.00 N ATOM 0 H ARG A 31 0.901 6.633 -7.809 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.757 7.228 -10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.203 6.594 -8.064 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.709 8.162 -7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.485 9.062 -9.789 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.323 7.529 -9.935 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.002 8.772 -8.968 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.240 8.159 -7.514 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.918 10.379 -7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.228 9.968 -8.718 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.626 11.680 -8.539 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.429 12.576 -7.347 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.047 13.149 -7.765 1.00 0.00 H new ATOM 519 N GLY A 32 0.490 9.419 -10.093 1.00 0.00 N ATOM 520 CA GLY A 32 1.344 10.589 -10.081 1.00 0.00 C ATOM 521 C GLY A 32 2.776 10.215 -9.756 1.00 0.00 C ATOM 522 O GLY A 32 3.443 9.555 -10.551 1.00 0.00 O ATOM 0 H GLY A 32 0.100 9.179 -11.005 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.305 11.082 -11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.976 11.304 -9.346 1.00 0.00 H new ATOM 526 N GLU A 33 3.248 10.615 -8.587 1.00 0.00 N ATOM 527 CA GLU A 33 4.584 10.231 -8.144 1.00 0.00 C ATOM 528 C GLU A 33 4.495 9.397 -6.871 1.00 0.00 C ATOM 529 O GLU A 33 5.497 9.131 -6.209 1.00 0.00 O ATOM 530 CB GLU A 33 5.455 11.468 -7.918 1.00 0.00 C ATOM 531 CG GLU A 33 6.947 11.167 -7.920 1.00 0.00 C ATOM 532 CD GLU A 33 7.799 12.400 -7.715 1.00 0.00 C ATOM 533 OE1 GLU A 33 7.324 13.517 -8.015 1.00 0.00 O ATOM 534 OE2 GLU A 33 8.952 12.265 -7.257 1.00 0.00 O ATOM 0 H GLU A 33 2.733 11.201 -7.930 1.00 0.00 H new ATOM 0 HA GLU A 33 5.049 9.628 -8.924 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.239 12.202 -8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.185 11.924 -6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.167 10.445 -7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.216 10.699 -8.867 1.00 0.00 H new ATOM 541 N ASN A 34 3.289 8.962 -6.546 1.00 0.00 N ATOM 542 CA ASN A 34 3.071 8.145 -5.359 1.00 0.00 C ATOM 543 C ASN A 34 3.198 6.672 -5.716 1.00 0.00 C ATOM 544 O ASN A 34 2.338 6.113 -6.404 1.00 0.00 O ATOM 545 CB ASN A 34 1.690 8.410 -4.750 1.00 0.00 C ATOM 546 CG ASN A 34 1.461 9.871 -4.417 1.00 0.00 C ATOM 547 OD1 ASN A 34 1.782 10.329 -3.323 1.00 0.00 O ATOM 548 ND2 ASN A 34 0.896 10.610 -5.360 1.00 0.00 N ATOM 0 H ASN A 34 2.446 9.159 -7.085 1.00 0.00 H new ATOM 0 HA ASN A 34 3.828 8.411 -4.621 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.921 8.077 -5.447 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.578 7.814 -3.844 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.712 11.599 -5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.645 10.190 -6.255 1.00 0.00 H new ATOM 555 N TYR A 35 4.277 6.054 -5.264 1.00 0.00 N ATOM 556 CA TYR A 35 4.531 4.650 -5.551 1.00 0.00 C ATOM 557 C TYR A 35 4.305 3.805 -4.303 1.00 0.00 C ATOM 558 O TYR A 35 4.815 4.126 -3.231 1.00 0.00 O ATOM 559 CB TYR A 35 5.967 4.445 -6.045 1.00 0.00 C ATOM 560 CG TYR A 35 6.359 5.324 -7.214 1.00 0.00 C ATOM 561 CD1 TYR A 35 5.928 5.037 -8.504 1.00 0.00 C ATOM 562 CD2 TYR A 35 7.171 6.433 -7.024 1.00 0.00 C ATOM 563 CE1 TYR A 35 6.297 5.835 -9.572 1.00 0.00 C ATOM 564 CE2 TYR A 35 7.543 7.236 -8.085 1.00 0.00 C ATOM 565 CZ TYR A 35 7.104 6.934 -9.356 1.00 0.00 C ATOM 566 OH TYR A 35 7.475 7.733 -10.412 1.00 0.00 O ATOM 0 H TYR A 35 4.994 6.504 -4.695 1.00 0.00 H new ATOM 0 HA TYR A 35 3.839 4.338 -6.333 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.653 4.633 -5.219 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.094 3.401 -6.333 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.296 4.178 -8.675 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.518 6.673 -6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.956 5.600 -10.569 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.175 8.096 -7.919 1.00 0.00 H new ATOM 0 HH TYR A 35 8.042 8.463 -10.086 1.00 0.00 H new ATOM 576 N VAL A 36 3.535 2.738 -4.452 1.00 0.00 N ATOM 577 CA VAL A 36 3.281 1.803 -3.364 1.00 0.00 C ATOM 578 C VAL A 36 3.292 0.371 -3.888 1.00 0.00 C ATOM 579 O VAL A 36 2.918 0.119 -5.030 1.00 0.00 O ATOM 580 CB VAL A 36 1.924 2.075 -2.663 1.00 0.00 C ATOM 581 CG1 VAL A 36 1.954 3.392 -1.903 1.00 0.00 C ATOM 582 CG2 VAL A 36 0.781 2.076 -3.668 1.00 0.00 C ATOM 0 H VAL A 36 3.070 2.495 -5.327 1.00 0.00 H new ATOM 0 HA VAL A 36 4.076 1.943 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 36 1.757 1.269 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.990 3.556 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.737 3.357 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.157 4.208 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.159 2.269 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.952 2.854 -4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.730 1.106 -4.162 1.00 0.00 H new ATOM 592 N TYR A 37 3.741 -0.561 -3.071 1.00 0.00 N ATOM 593 CA TYR A 37 3.740 -1.964 -3.450 1.00 0.00 C ATOM 594 C TYR A 37 2.722 -2.739 -2.626 1.00 0.00 C ATOM 595 O TYR A 37 2.783 -2.753 -1.395 1.00 0.00 O ATOM 596 CB TYR A 37 5.135 -2.572 -3.288 1.00 0.00 C ATOM 597 CG TYR A 37 6.115 -2.141 -4.360 1.00 0.00 C ATOM 598 CD1 TYR A 37 6.852 -0.969 -4.236 1.00 0.00 C ATOM 599 CD2 TYR A 37 6.295 -2.910 -5.502 1.00 0.00 C ATOM 600 CE1 TYR A 37 7.742 -0.578 -5.222 1.00 0.00 C ATOM 601 CE2 TYR A 37 7.181 -2.527 -6.491 1.00 0.00 C ATOM 602 CZ TYR A 37 7.901 -1.360 -6.347 1.00 0.00 C ATOM 603 OH TYR A 37 8.782 -0.975 -7.337 1.00 0.00 O ATOM 0 H TYR A 37 4.112 -0.374 -2.139 1.00 0.00 H new ATOM 0 HA TYR A 37 3.458 -2.032 -4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.532 -2.293 -2.312 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.052 -3.659 -3.300 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.729 -0.354 -3.357 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.732 -3.824 -5.620 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.309 0.335 -5.111 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.309 -3.139 -7.372 1.00 0.00 H new ATOM 0 HH TYR A 37 8.774 -1.638 -8.058 1.00 0.00 H new ATOM 613 N VAL A 38 1.774 -3.360 -3.311 1.00 0.00 N ATOM 614 CA VAL A 38 0.754 -4.158 -2.653 1.00 0.00 C ATOM 615 C VAL A 38 1.204 -5.608 -2.598 1.00 0.00 C ATOM 616 O VAL A 38 1.123 -6.332 -3.592 1.00 0.00 O ATOM 617 CB VAL A 38 -0.606 -4.066 -3.373 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.668 -4.847 -2.618 1.00 0.00 C ATOM 619 CG2 VAL A 38 -1.026 -2.618 -3.539 1.00 0.00 C ATOM 0 H VAL A 38 1.691 -3.325 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 38 0.622 -3.764 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.497 -4.507 -4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.620 -4.769 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.373 -5.895 -2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.774 -4.439 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.988 -2.574 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.114 -2.150 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.278 -2.088 -4.129 1.00 0.00 H new ATOM 629 N ASN A 39 1.683 -6.023 -1.437 1.00 0.00 N ATOM 630 CA ASN A 39 2.297 -7.336 -1.284 1.00 0.00 C ATOM 631 C ASN A 39 1.292 -8.446 -1.577 1.00 0.00 C ATOM 632 O ASN A 39 0.195 -8.469 -1.023 1.00 0.00 O ATOM 633 CB ASN A 39 2.868 -7.494 0.125 1.00 0.00 C ATOM 634 CG ASN A 39 3.814 -8.672 0.231 1.00 0.00 C ATOM 635 OD1 ASN A 39 5.004 -8.548 -0.034 1.00 0.00 O ATOM 636 ND2 ASN A 39 3.302 -9.818 0.633 1.00 0.00 N ATOM 0 H ASN A 39 1.659 -5.468 -0.581 1.00 0.00 H new ATOM 0 HA ASN A 39 3.111 -7.417 -2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.394 -6.582 0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.050 -7.622 0.834 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.901 -10.637 0.732 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.307 -9.885 0.845 1.00 0.00 H new ATOM 643 N ARG A 40 1.685 -9.383 -2.431 1.00 0.00 N ATOM 644 CA ARG A 40 0.775 -10.408 -2.922 1.00 0.00 C ATOM 645 C ARG A 40 0.708 -11.571 -1.946 1.00 0.00 C ATOM 646 O ARG A 40 -0.285 -12.293 -1.880 1.00 0.00 O ATOM 647 CB ARG A 40 1.228 -10.900 -4.303 1.00 0.00 C ATOM 648 CG ARG A 40 0.238 -11.834 -4.970 1.00 0.00 C ATOM 649 CD ARG A 40 -1.149 -11.235 -4.929 1.00 0.00 C ATOM 650 NE ARG A 40 -2.144 -12.048 -5.627 1.00 0.00 N ATOM 651 CZ ARG A 40 -3.456 -11.979 -5.388 1.00 0.00 C ATOM 652 NH1 ARG A 40 -3.917 -11.172 -4.437 1.00 0.00 N ATOM 653 NH2 ARG A 40 -4.306 -12.716 -6.095 1.00 0.00 N ATOM 0 H ARG A 40 2.634 -9.453 -2.799 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.221 -9.974 -3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.394 -10.038 -4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.185 -11.411 -4.201 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.535 -12.013 -6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.241 -12.800 -4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.454 -11.110 -3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.123 -10.241 -5.375 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.818 -12.705 -6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.268 -10.606 -3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.919 -11.119 -4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.957 -13.338 -6.824 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.307 -12.660 -5.908 1.00 0.00 H new ATOM 667 N GLU A 41 1.763 -11.721 -1.170 1.00 0.00 N ATOM 668 CA GLU A 41 1.865 -12.799 -0.198 1.00 0.00 C ATOM 669 C GLU A 41 1.099 -12.441 1.074 1.00 0.00 C ATOM 670 O GLU A 41 1.264 -13.076 2.115 1.00 0.00 O ATOM 671 CB GLU A 41 3.337 -13.035 0.122 1.00 0.00 C ATOM 672 CG GLU A 41 4.216 -13.022 -1.115 1.00 0.00 C ATOM 673 CD GLU A 41 5.692 -13.134 -0.786 1.00 0.00 C ATOM 674 OE1 GLU A 41 6.309 -12.112 -0.402 1.00 0.00 O ATOM 675 OE2 GLU A 41 6.252 -14.245 -0.921 1.00 0.00 O ATOM 0 H GLU A 41 2.574 -11.102 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 41 1.429 -13.708 -0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.681 -12.267 0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.445 -13.994 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.930 -13.847 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.041 -12.101 -1.670 1.00 0.00 H new ATOM 682 N ALA A 42 0.251 -11.426 0.971 1.00 0.00 N ATOM 683 CA ALA A 42 -0.495 -10.911 2.109 1.00 0.00 C ATOM 684 C ALA A 42 -1.672 -11.812 2.467 1.00 0.00 C ATOM 685 O ALA A 42 -2.830 -11.428 2.321 1.00 0.00 O ATOM 686 CB ALA A 42 -0.993 -9.513 1.803 1.00 0.00 C ATOM 0 H ALA A 42 0.062 -10.937 0.096 1.00 0.00 H new ATOM 0 HA ALA A 42 0.178 -10.886 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.551 -9.130 2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.144 -8.860 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.643 -9.542 0.928 1.00 0.00 H new ATOM 692 N ARG A 43 -1.374 -13.019 2.920 1.00 0.00 N ATOM 693 CA ARG A 43 -2.400 -13.905 3.455 1.00 0.00 C ATOM 694 C ARG A 43 -2.847 -13.382 4.814 1.00 0.00 C ATOM 695 O ARG A 43 -3.879 -13.781 5.355 1.00 0.00 O ATOM 696 CB ARG A 43 -1.868 -15.332 3.562 1.00 0.00 C ATOM 697 CG ARG A 43 -1.615 -15.983 2.212 1.00 0.00 C ATOM 698 CD ARG A 43 -0.793 -17.249 2.357 1.00 0.00 C ATOM 699 NE ARG A 43 0.582 -16.953 2.763 1.00 0.00 N ATOM 700 CZ ARG A 43 1.063 -17.163 3.988 1.00 0.00 C ATOM 701 NH1 ARG A 43 0.291 -17.694 4.931 1.00 0.00 N ATOM 702 NH2 ARG A 43 2.315 -16.835 4.270 1.00 0.00 N ATOM 0 H ARG A 43 -0.432 -13.409 2.929 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.258 -13.924 2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.940 -15.324 4.133 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.581 -15.937 4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.567 -16.217 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.095 -15.282 1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.258 -17.903 3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.786 -17.790 1.410 1.00 0.00 H new ATOM 0 HE ARG A 43 1.212 -16.561 2.063 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.675 -17.943 4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.665 -17.852 5.867 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.909 -16.423 3.550 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.685 -16.995 5.207 1.00 0.00 H new ATOM 716 N MET A 44 -2.037 -12.484 5.354 1.00 0.00 N ATOM 717 CA MET A 44 -2.379 -11.728 6.542 1.00 0.00 C ATOM 718 C MET A 44 -2.341 -10.245 6.199 1.00 0.00 C ATOM 719 O MET A 44 -1.282 -9.708 5.873 1.00 0.00 O ATOM 720 CB MET A 44 -1.405 -12.029 7.686 1.00 0.00 C ATOM 721 CG MET A 44 -1.437 -13.471 8.159 1.00 0.00 C ATOM 722 SD MET A 44 -0.288 -13.780 9.516 1.00 0.00 S ATOM 723 CE MET A 44 1.285 -13.446 8.722 1.00 0.00 C ATOM 0 H MET A 44 -1.117 -12.260 4.974 1.00 0.00 H new ATOM 0 HA MET A 44 -3.377 -12.013 6.874 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.393 -11.786 7.362 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.636 -11.376 8.528 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.448 -13.722 8.479 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.194 -14.129 7.325 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.087 -13.920 9.289 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.273 -13.846 7.708 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.453 -12.370 8.686 1.00 0.00 H new ATOM 733 N GLY A 45 -3.500 -9.599 6.244 1.00 0.00 N ATOM 734 CA GLY A 45 -3.606 -8.195 5.866 1.00 0.00 C ATOM 735 C GLY A 45 -2.917 -7.217 6.816 1.00 0.00 C ATOM 736 O GLY A 45 -3.298 -6.050 6.877 1.00 0.00 O ATOM 0 H GLY A 45 -4.379 -10.025 6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.182 -8.070 4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.661 -7.931 5.799 1.00 0.00 H new ATOM 740 N ARG A 46 -1.918 -7.680 7.563 1.00 0.00 N ATOM 741 CA ARG A 46 -1.074 -6.798 8.343 1.00 0.00 C ATOM 742 C ARG A 46 0.118 -6.389 7.491 1.00 0.00 C ATOM 743 O ARG A 46 0.826 -5.431 7.791 1.00 0.00 O ATOM 744 CB ARG A 46 -0.569 -7.505 9.598 1.00 0.00 C ATOM 745 CG ARG A 46 -1.646 -8.206 10.402 1.00 0.00 C ATOM 746 CD ARG A 46 -1.219 -8.420 11.848 1.00 0.00 C ATOM 747 NE ARG A 46 0.152 -8.923 11.961 1.00 0.00 N ATOM 748 CZ ARG A 46 0.469 -10.148 12.382 1.00 0.00 C ATOM 749 NH1 ARG A 46 -0.482 -11.022 12.677 1.00 0.00 N ATOM 750 NH2 ARG A 46 1.743 -10.489 12.522 1.00 0.00 N ATOM 0 H ARG A 46 -1.677 -8.668 7.640 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.652 -5.924 8.644 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.185 -8.237 9.309 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.074 -6.774 10.237 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.562 -7.615 10.376 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.874 -9.168 9.944 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.303 -7.479 12.391 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.901 -9.124 12.324 1.00 0.00 H new ATOM 0 HE ARG A 46 0.913 -8.296 11.701 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.463 -10.759 12.583 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.233 -11.957 12.998 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.478 -9.815 12.308 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.988 -11.425 12.844 1.00 0.00 H new ATOM 764 N THR A 47 0.316 -7.134 6.417 1.00 0.00 N ATOM 765 CA THR A 47 1.443 -6.963 5.541 1.00 0.00 C ATOM 766 C THR A 47 0.935 -7.013 4.116 1.00 0.00 C ATOM 767 O THR A 47 0.830 -8.080 3.523 1.00 0.00 O ATOM 768 CB THR A 47 2.512 -8.065 5.761 1.00 0.00 C ATOM 769 OG1 THR A 47 1.965 -9.356 5.457 1.00 0.00 O ATOM 770 CG2 THR A 47 2.996 -8.075 7.198 1.00 0.00 C ATOM 0 H THR A 47 -0.315 -7.883 6.132 1.00 0.00 H new ATOM 0 HA THR A 47 1.920 -6.006 5.752 1.00 0.00 H new ATOM 0 HB THR A 47 3.350 -7.847 5.099 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.534 -9.330 4.577 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.745 -8.857 7.324 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.437 -7.108 7.440 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.155 -8.267 7.864 1.00 0.00 H new ATOM 778 N ALA A 48 0.618 -5.863 3.574 1.00 0.00 N ATOM 779 CA ALA A 48 -0.063 -5.794 2.287 1.00 0.00 C ATOM 780 C ALA A 48 0.087 -4.425 1.635 1.00 0.00 C ATOM 781 O ALA A 48 0.037 -4.315 0.413 1.00 0.00 O ATOM 782 CB ALA A 48 -1.544 -6.115 2.482 1.00 0.00 C ATOM 0 H ALA A 48 0.817 -4.957 3.998 1.00 0.00 H new ATOM 0 HA ALA A 48 0.397 -6.525 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.057 -6.064 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.647 -7.118 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.986 -5.392 3.168 1.00 0.00 H new ATOM 788 N LEU A 49 0.297 -3.387 2.426 1.00 0.00 N ATOM 789 CA LEU A 49 0.581 -2.080 1.861 1.00 0.00 C ATOM 790 C LEU A 49 2.008 -1.683 2.186 1.00 0.00 C ATOM 791 O LEU A 49 2.329 -1.353 3.324 1.00 0.00 O ATOM 792 CB LEU A 49 -0.381 -1.005 2.375 1.00 0.00 C ATOM 793 CG LEU A 49 -0.141 0.386 1.775 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.457 0.389 0.288 1.00 0.00 C ATOM 795 CD2 LEU A 49 -0.961 1.438 2.496 1.00 0.00 C ATOM 0 H LEU A 49 0.277 -3.422 3.445 1.00 0.00 H new ATOM 0 HA LEU A 49 0.446 -2.153 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.404 -1.312 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.293 -0.942 3.460 1.00 0.00 H new ATOM 0 HG LEU A 49 0.913 0.632 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.281 1.384 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.184 -0.330 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.501 0.115 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.772 2.415 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.020 1.197 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.681 1.459 3.549 1.00 0.00 H new ATOM 807 N ILE A 50 2.874 -1.741 1.202 1.00 0.00 N ATOM 808 CA ILE A 50 4.251 -1.354 1.407 1.00 0.00 C ATOM 809 C ILE A 50 4.556 -0.094 0.617 1.00 0.00 C ATOM 810 O ILE A 50 4.782 -0.135 -0.588 1.00 0.00 O ATOM 811 CB ILE A 50 5.210 -2.502 1.043 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.876 -3.724 1.909 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.657 -2.072 1.242 1.00 0.00 C ATOM 814 CD1 ILE A 50 5.626 -4.980 1.537 1.00 0.00 C ATOM 0 H ILE A 50 2.652 -2.051 0.256 1.00 0.00 H new ATOM 0 HA ILE A 50 4.403 -1.138 2.465 1.00 0.00 H new ATOM 0 HB ILE A 50 5.086 -2.763 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.089 -3.484 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.806 -3.921 1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.321 -2.896 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.873 -1.215 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.815 -1.797 2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.328 -5.792 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.395 -5.250 0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.698 -4.806 1.635 1.00 0.00 H new ATOM 826 N ILE A 51 4.516 1.028 1.321 1.00 0.00 N ATOM 827 CA ILE A 51 4.652 2.337 0.702 1.00 0.00 C ATOM 828 C ILE A 51 6.089 2.617 0.248 1.00 0.00 C ATOM 829 O ILE A 51 6.436 2.414 -0.912 1.00 0.00 O ATOM 830 CB ILE A 51 4.168 3.457 1.665 1.00 0.00 C ATOM 831 CG1 ILE A 51 4.749 3.264 3.076 1.00 0.00 C ATOM 832 CG2 ILE A 51 2.645 3.478 1.723 1.00 0.00 C ATOM 833 CD1 ILE A 51 4.584 4.470 3.978 1.00 0.00 C ATOM 0 H ILE A 51 4.389 1.056 2.333 1.00 0.00 H new ATOM 0 HA ILE A 51 4.020 2.333 -0.186 1.00 0.00 H new ATOM 0 HB ILE A 51 4.524 4.412 1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.267 2.405 3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.810 3.028 2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.318 4.266 2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.246 3.667 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.281 2.516 2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.018 4.256 4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.091 5.328 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.524 4.695 4.094 1.00 0.00 H new ATOM 845 N HIS A 52 6.916 3.057 1.183 1.00 0.00 N ATOM 846 CA HIS A 52 8.265 3.502 0.900 1.00 0.00 C ATOM 847 C HIS A 52 8.924 3.873 2.224 1.00 0.00 C ATOM 848 O HIS A 52 8.267 4.446 3.095 1.00 0.00 O ATOM 849 CB HIS A 52 8.220 4.719 -0.052 1.00 0.00 C ATOM 850 CG HIS A 52 9.555 5.325 -0.387 1.00 0.00 C ATOM 851 ND1 HIS A 52 10.270 6.076 0.509 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.291 5.310 -1.525 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.384 6.499 -0.041 1.00 0.00 C ATOM 854 NE2 HIS A 52 11.429 6.053 -1.288 1.00 0.00 N ATOM 0 H HIS A 52 6.664 3.115 2.170 1.00 0.00 H new ATOM 0 HA HIS A 52 8.840 2.715 0.413 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.735 4.416 -0.980 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.593 5.489 0.399 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.978 6.277 1.465 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.034 4.809 -2.447 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.136 7.107 0.441 1.00 0.00 H new ATOM 863 N PRO A 53 10.202 3.503 2.420 1.00 0.00 N ATOM 864 CA PRO A 53 11.004 3.955 3.572 1.00 0.00 C ATOM 865 C PRO A 53 11.011 5.485 3.713 1.00 0.00 C ATOM 866 O PRO A 53 10.275 6.183 3.018 1.00 0.00 O ATOM 867 CB PRO A 53 12.418 3.438 3.260 1.00 0.00 C ATOM 868 CG PRO A 53 12.377 2.941 1.849 1.00 0.00 C ATOM 869 CD PRO A 53 10.953 2.573 1.570 1.00 0.00 C ATOM 0 HA PRO A 53 10.602 3.582 4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.157 4.232 3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.701 2.640 3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.722 3.709 1.157 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.033 2.079 1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.703 2.697 0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.746 1.534 1.827 1.00 0.00 H new ATOM 877 N ARG A 54 11.830 6.006 4.617 1.00 0.00 N ATOM 878 CA ARG A 54 11.903 7.453 4.878 1.00 0.00 C ATOM 879 C ARG A 54 10.638 7.969 5.582 1.00 0.00 C ATOM 880 O ARG A 54 10.719 8.719 6.551 1.00 0.00 O ATOM 881 CB ARG A 54 12.170 8.250 3.591 1.00 0.00 C ATOM 882 CG ARG A 54 11.980 9.752 3.752 1.00 0.00 C ATOM 883 CD ARG A 54 12.720 10.526 2.674 1.00 0.00 C ATOM 884 NE ARG A 54 14.169 10.455 2.866 1.00 0.00 N ATOM 885 CZ ARG A 54 15.074 10.675 1.909 1.00 0.00 C ATOM 886 NH1 ARG A 54 14.691 10.975 0.672 1.00 0.00 N ATOM 887 NH2 ARG A 54 16.366 10.607 2.196 1.00 0.00 N ATOM 0 H ARG A 54 12.462 5.449 5.191 1.00 0.00 H new ATOM 0 HA ARG A 54 12.747 7.608 5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.189 8.055 3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.504 7.890 2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.918 9.992 3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.337 10.062 4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.461 10.126 1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.400 11.568 2.687 1.00 0.00 H new ATOM 0 HE ARG A 54 14.512 10.221 3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.698 11.039 0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.390 11.141 -0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.667 10.387 3.146 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.060 10.774 1.467 1.00 0.00 H new ATOM 901 N LEU A 55 9.478 7.535 5.099 1.00 0.00 N ATOM 902 CA LEU A 55 8.186 7.935 5.650 1.00 0.00 C ATOM 903 C LEU A 55 7.850 7.155 6.913 1.00 0.00 C ATOM 904 O LEU A 55 6.714 7.183 7.382 1.00 0.00 O ATOM 905 CB LEU A 55 7.086 7.705 4.610 1.00 0.00 C ATOM 906 CG LEU A 55 7.057 8.709 3.462 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.981 8.340 2.451 1.00 0.00 C ATOM 908 CD2 LEU A 55 6.819 10.104 4.009 1.00 0.00 C ATOM 0 H LEU A 55 9.407 6.892 4.310 1.00 0.00 H new ATOM 0 HA LEU A 55 8.248 8.993 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.205 6.705 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.120 7.727 5.115 1.00 0.00 H new ATOM 0 HG LEU A 55 8.019 8.688 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.978 9.069 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.186 7.349 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.007 8.337 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.799 10.819 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.865 10.130 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.622 10.366 4.698 1.00 0.00 H new ATOM 920 N LYS A 56 8.840 6.471 7.456 1.00 0.00 N ATOM 921 CA LYS A 56 8.661 5.624 8.626 1.00 0.00 C ATOM 922 C LYS A 56 8.081 6.414 9.798 1.00 0.00 C ATOM 923 O LYS A 56 7.051 6.043 10.360 1.00 0.00 O ATOM 924 CB LYS A 56 10.002 5.002 9.012 1.00 0.00 C ATOM 925 CG LYS A 56 9.894 3.874 10.023 1.00 0.00 C ATOM 926 CD LYS A 56 11.243 3.219 10.256 1.00 0.00 C ATOM 927 CE LYS A 56 11.118 1.983 11.127 1.00 0.00 C ATOM 928 NZ LYS A 56 12.426 1.310 11.316 1.00 0.00 N ATOM 0 H LYS A 56 9.795 6.486 7.098 1.00 0.00 H new ATOM 0 HA LYS A 56 7.952 4.834 8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.487 4.624 8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.647 5.780 9.419 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.507 4.262 10.965 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.181 3.130 9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.687 2.947 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.918 3.932 10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.709 2.262 12.098 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.413 1.287 10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.301 0.470 11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.805 1.021 10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.091 1.966 11.773 1.00 0.00 H new ATOM 942 N ASP A 57 8.727 7.522 10.138 1.00 0.00 N ATOM 943 CA ASP A 57 8.324 8.325 11.290 1.00 0.00 C ATOM 944 C ASP A 57 7.018 9.067 11.024 1.00 0.00 C ATOM 945 O ASP A 57 6.241 9.323 11.945 1.00 0.00 O ATOM 946 CB ASP A 57 9.427 9.319 11.668 1.00 0.00 C ATOM 947 CG ASP A 57 9.746 10.308 10.565 1.00 0.00 C ATOM 948 OD1 ASP A 57 10.224 9.879 9.491 1.00 0.00 O ATOM 949 OD2 ASP A 57 9.527 11.519 10.770 1.00 0.00 O ATOM 0 H ASP A 57 9.534 7.887 9.633 1.00 0.00 H new ATOM 0 HA ASP A 57 8.161 7.643 12.124 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.123 9.866 12.560 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.331 8.767 11.925 1.00 0.00 H new ATOM 954 N ARG A 58 6.779 9.409 9.764 1.00 0.00 N ATOM 955 CA ARG A 58 5.548 10.090 9.371 1.00 0.00 C ATOM 956 C ARG A 58 4.366 9.128 9.370 1.00 0.00 C ATOM 957 O ARG A 58 3.352 9.367 10.024 1.00 0.00 O ATOM 958 CB ARG A 58 5.702 10.713 7.980 1.00 0.00 C ATOM 959 CG ARG A 58 4.413 11.290 7.397 1.00 0.00 C ATOM 960 CD ARG A 58 3.968 12.564 8.100 1.00 0.00 C ATOM 961 NE ARG A 58 3.603 12.330 9.494 1.00 0.00 N ATOM 962 CZ ARG A 58 4.029 13.081 10.507 1.00 0.00 C ATOM 963 NH1 ARG A 58 4.772 14.153 10.274 1.00 0.00 N ATOM 964 NH2 ARG A 58 3.711 12.760 11.753 1.00 0.00 N ATOM 0 H ARG A 58 7.422 9.226 8.994 1.00 0.00 H new ATOM 0 HA ARG A 58 5.357 10.877 10.100 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.449 11.505 8.031 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.087 9.956 7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.560 11.497 6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.621 10.545 7.469 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.771 13.300 8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.116 12.990 7.570 1.00 0.00 H new ATOM 0 HE ARG A 58 2.986 11.546 9.704 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.019 14.404 9.317 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.097 14.727 11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.139 11.936 11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.039 13.337 12.528 1.00 0.00 H new ATOM 978 N SER A 59 4.505 8.043 8.623 1.00 0.00 N ATOM 979 CA SER A 59 3.428 7.086 8.433 1.00 0.00 C ATOM 980 C SER A 59 2.971 6.458 9.754 1.00 0.00 C ATOM 981 O SER A 59 1.798 6.115 9.901 1.00 0.00 O ATOM 982 CB SER A 59 3.865 6.003 7.440 1.00 0.00 C ATOM 983 OG SER A 59 2.976 4.897 7.442 1.00 0.00 O ATOM 0 H SER A 59 5.366 7.802 8.133 1.00 0.00 H new ATOM 0 HA SER A 59 2.572 7.625 8.027 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.915 6.428 6.437 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.869 5.663 7.692 1.00 0.00 H new ATOM 0 HG SER A 59 3.487 4.067 7.543 1.00 0.00 H new ATOM 989 N SER A 60 3.895 6.307 10.702 1.00 0.00 N ATOM 990 CA SER A 60 3.577 5.709 12.001 1.00 0.00 C ATOM 991 C SER A 60 2.512 6.510 12.756 1.00 0.00 C ATOM 992 O SER A 60 1.817 5.974 13.620 1.00 0.00 O ATOM 993 CB SER A 60 4.843 5.580 12.848 1.00 0.00 C ATOM 994 OG SER A 60 5.781 4.723 12.219 1.00 0.00 O ATOM 0 H SER A 60 4.869 6.590 10.596 1.00 0.00 H new ATOM 0 HA SER A 60 3.167 4.717 11.813 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.287 6.564 13.000 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.589 5.189 13.833 1.00 0.00 H new ATOM 0 HG SER A 60 6.405 5.257 11.685 1.00 0.00 H new ATOM 1000 N SER A 61 2.378 7.790 12.428 1.00 0.00 N ATOM 1001 CA SER A 61 1.372 8.636 13.058 1.00 0.00 C ATOM 1002 C SER A 61 -0.032 8.268 12.579 1.00 0.00 C ATOM 1003 O SER A 61 -1.033 8.635 13.197 1.00 0.00 O ATOM 1004 CB SER A 61 1.655 10.105 12.749 1.00 0.00 C ATOM 1005 OG SER A 61 2.970 10.461 13.135 1.00 0.00 O ATOM 0 H SER A 61 2.952 8.264 11.731 1.00 0.00 H new ATOM 0 HA SER A 61 1.421 8.476 14.135 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.523 10.288 11.683 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.936 10.735 13.272 1.00 0.00 H new ATOM 0 HG SER A 61 2.943 11.279 13.674 1.00 0.00 H new ATOM 1011 N LEU A 62 -0.095 7.533 11.478 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.364 7.171 10.873 1.00 0.00 C ATOM 1013 C LEU A 62 -1.604 5.669 10.946 1.00 0.00 C ATOM 1014 O LEU A 62 -2.667 5.221 11.369 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.387 7.632 9.416 1.00 0.00 C ATOM 1016 CG LEU A 62 -1.288 9.146 9.214 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -1.212 9.481 7.735 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -2.477 9.848 9.857 1.00 0.00 C ATOM 0 H LEU A 62 0.723 7.175 10.985 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.161 7.666 11.428 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.562 7.155 8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.309 7.279 8.953 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.376 9.499 9.696 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.142 10.562 7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.332 9.008 7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.107 9.115 7.233 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.391 10.924 9.704 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.401 9.490 9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.492 9.634 10.926 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.607 4.895 10.547 1.00 0.00 N ATOM 1031 CA ALA A 63 -0.755 3.453 10.468 1.00 0.00 C ATOM 1032 C ALA A 63 0.417 2.744 11.128 1.00 0.00 C ATOM 1033 O ALA A 63 1.574 3.133 10.945 1.00 0.00 O ATOM 1034 CB ALA A 63 -0.886 3.026 9.015 1.00 0.00 C ATOM 0 H ALA A 63 0.312 5.242 10.273 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.660 3.170 11.006 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.997 1.943 8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.761 3.502 8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.006 3.326 8.466 1.00 0.00 H new ATOM 1040 N ASP A 64 0.111 1.703 11.889 1.00 0.00 N ATOM 1041 CA ASP A 64 1.130 0.947 12.606 1.00 0.00 C ATOM 1042 C ASP A 64 1.774 -0.084 11.692 1.00 0.00 C ATOM 1043 O ASP A 64 1.079 -0.872 11.049 1.00 0.00 O ATOM 1044 CB ASP A 64 0.529 0.238 13.824 1.00 0.00 C ATOM 1045 CG ASP A 64 -0.010 1.201 14.858 1.00 0.00 C ATOM 1046 OD1 ASP A 64 0.797 1.795 15.603 1.00 0.00 O ATOM 1047 OD2 ASP A 64 -1.246 1.364 14.938 1.00 0.00 O ATOM 0 H ASP A 64 -0.840 1.361 12.027 1.00 0.00 H new ATOM 0 HA ASP A 64 1.888 1.653 12.944 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.274 -0.421 13.495 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.290 -0.392 14.284 1.00 0.00 H new ATOM 1052 N PRO A 65 3.109 -0.080 11.606 1.00 0.00 N ATOM 1053 CA PRO A 65 3.849 -1.068 10.827 1.00 0.00 C ATOM 1054 C PRO A 65 3.808 -2.443 11.488 1.00 0.00 C ATOM 1055 O PRO A 65 4.045 -2.570 12.689 1.00 0.00 O ATOM 1056 CB PRO A 65 5.289 -0.526 10.810 1.00 0.00 C ATOM 1057 CG PRO A 65 5.203 0.865 11.350 1.00 0.00 C ATOM 1058 CD PRO A 65 4.007 0.883 12.255 1.00 0.00 C ATOM 0 HA PRO A 65 3.430 -1.202 9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.947 -1.143 11.421 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.697 -0.529 9.799 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.109 1.129 11.895 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.094 1.591 10.544 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.261 0.581 13.271 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.561 1.875 12.320 1.00 0.00 H new ATOM 1066 N ALA A 66 3.520 -3.469 10.696 1.00 0.00 N ATOM 1067 CA ALA A 66 3.425 -4.835 11.205 1.00 0.00 C ATOM 1068 C ALA A 66 4.804 -5.465 11.337 1.00 0.00 C ATOM 1069 O ALA A 66 4.939 -6.639 11.684 1.00 0.00 O ATOM 1070 CB ALA A 66 2.564 -5.677 10.284 1.00 0.00 C ATOM 0 H ALA A 66 3.347 -3.382 9.695 1.00 0.00 H new ATOM 0 HA ALA A 66 2.967 -4.796 12.193 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.500 -6.693 10.673 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.564 -5.247 10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.008 -5.697 9.289 1.00 0.00 H new ATOM 1076 N SER A 67 5.819 -4.676 11.051 1.00 0.00 N ATOM 1077 CA SER A 67 7.188 -5.146 11.051 1.00 0.00 C ATOM 1078 C SER A 67 8.130 -3.959 11.128 1.00 0.00 C ATOM 1079 O SER A 67 7.964 -3.060 11.958 1.00 0.00 O ATOM 1080 CB SER A 67 7.439 -5.979 9.786 1.00 0.00 C ATOM 1081 OG SER A 67 8.718 -6.593 9.801 1.00 0.00 O ATOM 0 H SER A 67 5.717 -3.690 10.812 1.00 0.00 H new ATOM 0 HA SER A 67 7.369 -5.780 11.919 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.669 -6.746 9.698 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.354 -5.339 8.908 1.00 0.00 H new ATOM 0 HG SER A 67 8.840 -7.115 8.981 1.00 0.00 H new ATOM 1087 N ASP A 68 9.085 -3.957 10.239 1.00 0.00 N ATOM 1088 CA ASP A 68 10.082 -2.903 10.162 1.00 0.00 C ATOM 1089 C ASP A 68 10.666 -2.869 8.765 1.00 0.00 C ATOM 1090 O ASP A 68 10.781 -1.810 8.149 1.00 0.00 O ATOM 1091 CB ASP A 68 11.206 -3.166 11.167 1.00 0.00 C ATOM 1092 CG ASP A 68 12.095 -1.958 11.367 1.00 0.00 C ATOM 1093 OD1 ASP A 68 11.719 -1.063 12.154 1.00 0.00 O ATOM 1094 OD2 ASP A 68 13.172 -1.893 10.742 1.00 0.00 O ATOM 0 H ASP A 68 9.202 -4.689 9.538 1.00 0.00 H new ATOM 0 HA ASP A 68 9.609 -1.949 10.394 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.773 -3.458 12.124 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.810 -4.005 10.821 1.00 0.00 H new ATOM 1099 N ILE A 69 11.003 -4.047 8.269 1.00 0.00 N ATOM 1100 CA ILE A 69 11.560 -4.197 6.936 1.00 0.00 C ATOM 1101 C ILE A 69 11.189 -5.544 6.336 1.00 0.00 C ATOM 1102 O ILE A 69 11.152 -6.563 7.025 1.00 0.00 O ATOM 1103 CB ILE A 69 13.096 -4.067 6.938 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.663 -4.668 8.220 1.00 0.00 C ATOM 1105 CG2 ILE A 69 13.515 -2.612 6.793 1.00 0.00 C ATOM 1106 CD1 ILE A 69 15.175 -4.705 8.266 1.00 0.00 C ATOM 0 H ILE A 69 10.898 -4.925 8.778 1.00 0.00 H new ATOM 0 HA ILE A 69 11.136 -3.394 6.333 1.00 0.00 H new ATOM 0 HB ILE A 69 13.496 -4.615 6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.298 -4.093 9.071 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.281 -5.683 8.333 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.603 -2.545 6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.130 -2.214 5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.113 -2.033 7.624 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.500 -5.146 9.209 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.550 -5.305 7.437 1.00 0.00 H new ATOM 0 HD13 ILE A 69 15.566 -3.691 8.186 1.00 0.00 H new ATOM 1118 N LYS A 70 10.901 -5.522 5.054 1.00 0.00 N ATOM 1119 CA LYS A 70 10.662 -6.735 4.285 1.00 0.00 C ATOM 1120 C LYS A 70 11.593 -6.727 3.080 1.00 0.00 C ATOM 1121 O LYS A 70 11.388 -5.963 2.134 1.00 0.00 O ATOM 1122 CB LYS A 70 9.190 -6.840 3.840 1.00 0.00 C ATOM 1123 CG LYS A 70 8.841 -8.163 3.167 1.00 0.00 C ATOM 1124 CD LYS A 70 7.356 -8.247 2.845 1.00 0.00 C ATOM 1125 CE LYS A 70 6.945 -9.635 2.358 1.00 0.00 C ATOM 1126 NZ LYS A 70 7.526 -9.972 1.029 1.00 0.00 N ATOM 0 H LYS A 70 10.824 -4.663 4.509 1.00 0.00 H new ATOM 0 HA LYS A 70 10.865 -7.606 4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.547 -6.705 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.970 -6.024 3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.420 -8.271 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.121 -8.990 3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.779 -7.991 3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.110 -7.509 2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.261 -10.380 3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.858 -9.688 2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.017 -10.783 0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.437 -9.154 0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.531 -10.215 1.141 1.00 0.00 H new ATOM 1140 N THR A 71 12.636 -7.544 3.147 1.00 0.00 N ATOM 1141 CA THR A 71 13.677 -7.555 2.133 1.00 0.00 C ATOM 1142 C THR A 71 13.362 -8.533 1.004 1.00 0.00 C ATOM 1143 O THR A 71 12.871 -9.644 1.242 1.00 0.00 O ATOM 1144 CB THR A 71 15.038 -7.910 2.758 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.901 -9.048 3.621 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.597 -6.735 3.546 1.00 0.00 C ATOM 0 H THR A 71 12.782 -8.214 3.902 1.00 0.00 H new ATOM 0 HA THR A 71 13.722 -6.551 1.710 1.00 0.00 H new ATOM 0 HB THR A 71 15.731 -8.148 1.951 1.00 0.00 H new ATOM 0 HG1 THR A 71 15.772 -9.268 4.013 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.559 -7.011 3.978 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.729 -5.881 2.881 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.904 -6.470 4.344 1.00 0.00 H new ATOM 1154 N CYS A 72 13.655 -8.097 -0.220 1.00 0.00 N ATOM 1155 CA CYS A 72 13.407 -8.861 -1.441 1.00 0.00 C ATOM 1156 C CYS A 72 13.573 -7.923 -2.620 1.00 0.00 C ATOM 1157 O CYS A 72 12.910 -6.885 -2.672 1.00 0.00 O ATOM 1158 CB CYS A 72 11.996 -9.453 -1.463 1.00 0.00 C ATOM 1159 SG CYS A 72 11.614 -10.405 -2.953 1.00 0.00 S ATOM 0 H CYS A 72 14.079 -7.186 -0.394 1.00 0.00 H new ATOM 0 HA CYS A 72 14.113 -9.690 -1.488 1.00 0.00 H new ATOM 0 HB2 CYS A 72 11.871 -10.097 -0.592 1.00 0.00 H new ATOM 0 HB3 CYS A 72 11.273 -8.643 -1.368 1.00 0.00 H new ATOM 0 HG CYS A 72 10.341 -10.326 -3.204 1.00 0.00 H new ATOM 1165 N ASP A 73 14.444 -8.276 -3.560 1.00 0.00 N ATOM 1166 CA ASP A 73 14.790 -7.381 -4.664 1.00 0.00 C ATOM 1167 C ASP A 73 13.641 -7.200 -5.659 1.00 0.00 C ATOM 1168 O ASP A 73 13.748 -7.540 -6.834 1.00 0.00 O ATOM 1169 CB ASP A 73 16.061 -7.857 -5.371 1.00 0.00 C ATOM 1170 CG ASP A 73 17.197 -6.865 -5.202 1.00 0.00 C ATOM 1171 OD1 ASP A 73 17.510 -6.507 -4.045 1.00 0.00 O ATOM 1172 OD2 ASP A 73 17.757 -6.413 -6.222 1.00 0.00 O ATOM 0 H ASP A 73 14.925 -9.175 -3.581 1.00 0.00 H new ATOM 0 HA ASP A 73 14.981 -6.400 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 73 16.360 -8.826 -4.971 1.00 0.00 H new ATOM 0 HB3 ASP A 73 15.856 -8.000 -6.432 1.00 0.00 H new ATOM 1177 N HIS A 74 12.536 -6.668 -5.150 1.00 0.00 N ATOM 1178 CA HIS A 74 11.388 -6.283 -5.956 1.00 0.00 C ATOM 1179 C HIS A 74 11.019 -4.839 -5.624 1.00 0.00 C ATOM 1180 O HIS A 74 10.791 -4.021 -6.511 1.00 0.00 O ATOM 1181 CB HIS A 74 10.172 -7.184 -5.681 1.00 0.00 C ATOM 1182 CG HIS A 74 10.304 -8.611 -6.140 1.00 0.00 C ATOM 1183 ND1 HIS A 74 9.228 -9.363 -6.569 1.00 0.00 N ATOM 1184 CD2 HIS A 74 11.374 -9.440 -6.183 1.00 0.00 C ATOM 1185 CE1 HIS A 74 9.636 -10.590 -6.845 1.00 0.00 C ATOM 1186 NE2 HIS A 74 10.932 -10.661 -6.623 1.00 0.00 N ATOM 0 H HIS A 74 12.412 -6.490 -4.153 1.00 0.00 H new ATOM 0 HA HIS A 74 11.657 -6.388 -7.007 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.976 -7.183 -4.609 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.300 -6.745 -6.165 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.270 -9.025 -6.659 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.390 -9.186 -5.919 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.011 -11.399 -7.194 1.00 0.00 H new ATOM 1195 N TYR A 75 10.982 -4.533 -4.327 1.00 0.00 N ATOM 1196 CA TYR A 75 10.634 -3.192 -3.859 1.00 0.00 C ATOM 1197 C TYR A 75 11.847 -2.275 -3.938 1.00 0.00 C ATOM 1198 O TYR A 75 12.535 -2.068 -2.938 1.00 0.00 O ATOM 1199 CB TYR A 75 10.152 -3.219 -2.404 1.00 0.00 C ATOM 1200 CG TYR A 75 9.435 -4.484 -1.996 1.00 0.00 C ATOM 1201 CD1 TYR A 75 10.142 -5.561 -1.478 1.00 0.00 C ATOM 1202 CD2 TYR A 75 8.060 -4.596 -2.109 1.00 0.00 C ATOM 1203 CE1 TYR A 75 9.497 -6.716 -1.088 1.00 0.00 C ATOM 1204 CE2 TYR A 75 7.405 -5.749 -1.722 1.00 0.00 C ATOM 1205 CZ TYR A 75 8.129 -6.807 -1.213 1.00 0.00 C ATOM 1206 OH TYR A 75 7.486 -7.958 -0.817 1.00 0.00 O ATOM 0 H TYR A 75 11.189 -5.197 -3.581 1.00 0.00 H new ATOM 0 HA TYR A 75 9.834 -2.823 -4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.012 -3.078 -1.749 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.485 -2.372 -2.241 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.215 -5.493 -1.379 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.490 -3.769 -2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.062 -7.544 -0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.332 -5.822 -1.817 1.00 0.00 H new ATOM 0 HH TYR A 75 6.548 -7.757 -0.619 1.00 0.00 H new ATOM 1216 N GLN A 76 12.122 -1.746 -5.119 1.00 0.00 N ATOM 1217 CA GLN A 76 13.319 -0.946 -5.331 1.00 0.00 C ATOM 1218 C GLN A 76 13.362 0.271 -4.407 1.00 0.00 C ATOM 1219 O GLN A 76 14.324 0.445 -3.661 1.00 0.00 O ATOM 1220 CB GLN A 76 13.424 -0.533 -6.798 1.00 0.00 C ATOM 1221 CG GLN A 76 12.156 0.092 -7.362 1.00 0.00 C ATOM 1222 CD GLN A 76 12.252 0.378 -8.848 1.00 0.00 C ATOM 1223 OE1 GLN A 76 13.332 0.640 -9.374 1.00 0.00 O ATOM 1224 NE2 GLN A 76 11.124 0.326 -9.534 1.00 0.00 N ATOM 0 H GLN A 76 11.534 -1.855 -5.945 1.00 0.00 H new ATOM 0 HA GLN A 76 14.183 -1.561 -5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 76 14.245 0.176 -6.906 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.680 -1.410 -7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.315 -0.576 -7.179 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.947 1.021 -6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.248 0.105 -9.060 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.129 0.507 -10.538 1.00 0.00 H new ATOM 1233 N ASN A 77 12.307 1.082 -4.448 1.00 0.00 N ATOM 1234 CA ASN A 77 12.186 2.278 -3.610 1.00 0.00 C ATOM 1235 C ASN A 77 13.301 3.285 -3.877 1.00 0.00 C ATOM 1236 O ASN A 77 13.126 4.198 -4.681 1.00 0.00 O ATOM 1237 CB ASN A 77 12.133 1.913 -2.122 1.00 0.00 C ATOM 1238 CG ASN A 77 10.781 1.364 -1.718 1.00 0.00 C ATOM 1239 OD1 ASN A 77 9.886 2.118 -1.350 1.00 0.00 O ATOM 1240 ND2 ASN A 77 10.627 0.053 -1.768 1.00 0.00 N ATOM 0 H ASN A 77 11.509 0.930 -5.064 1.00 0.00 H new ATOM 0 HA ASN A 77 11.244 2.755 -3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.904 1.174 -1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.358 2.796 -1.524 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.739 -0.367 -1.495 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.397 -0.539 -2.080 1.00 0.00 H new ATOM 1247 N PHE A 78 14.446 3.111 -3.221 1.00 0.00 N ATOM 1248 CA PHE A 78 15.552 4.059 -3.352 1.00 0.00 C ATOM 1249 C PHE A 78 16.818 3.591 -2.611 1.00 0.00 C ATOM 1250 O PHE A 78 17.853 3.384 -3.245 1.00 0.00 O ATOM 1251 CB PHE A 78 15.125 5.456 -2.862 1.00 0.00 C ATOM 1252 CG PHE A 78 16.183 6.510 -3.010 1.00 0.00 C ATOM 1253 CD1 PHE A 78 16.370 7.155 -4.220 1.00 0.00 C ATOM 1254 CD2 PHE A 78 16.988 6.858 -1.935 1.00 0.00 C ATOM 1255 CE1 PHE A 78 17.339 8.127 -4.357 1.00 0.00 C ATOM 1256 CE2 PHE A 78 17.958 7.829 -2.068 1.00 0.00 C ATOM 1257 CZ PHE A 78 18.136 8.463 -3.281 1.00 0.00 C ATOM 0 H PHE A 78 14.633 2.327 -2.596 1.00 0.00 H new ATOM 0 HA PHE A 78 15.804 4.113 -4.411 1.00 0.00 H new ATOM 0 HB2 PHE A 78 14.238 5.767 -3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 78 14.839 5.389 -1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 78 15.751 6.895 -5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 78 16.854 6.363 -0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 78 17.474 8.625 -5.306 1.00 0.00 H new ATOM 0 HE2 PHE A 78 18.578 8.093 -1.224 1.00 0.00 H new ATOM 0 HZ PHE A 78 18.898 9.221 -3.388 1.00 0.00 H new ATOM 1267 N PRO A 79 16.772 3.400 -1.269 1.00 0.00 N ATOM 1268 CA PRO A 79 17.982 3.199 -0.461 1.00 0.00 C ATOM 1269 C PRO A 79 18.548 1.784 -0.559 1.00 0.00 C ATOM 1270 O PRO A 79 19.762 1.611 -0.615 1.00 0.00 O ATOM 1271 CB PRO A 79 17.511 3.487 0.978 1.00 0.00 C ATOM 1272 CG PRO A 79 16.091 3.946 0.858 1.00 0.00 C ATOM 1273 CD PRO A 79 15.577 3.356 -0.417 1.00 0.00 C ATOM 0 HA PRO A 79 18.793 3.843 -0.802 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.582 2.594 1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 79 18.131 4.251 1.447 1.00 0.00 H new ATOM 0 HG2 PRO A 79 15.499 3.612 1.710 1.00 0.00 H new ATOM 0 HG3 PRO A 79 16.033 5.034 0.837 1.00 0.00 H new ATOM 0 HD2 PRO A 79 15.210 2.339 -0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.755 3.937 -0.835 1.00 0.00 H new ATOM 1281 N LEU A 80 17.641 0.803 -0.595 1.00 0.00 N ATOM 1282 CA LEU A 80 17.952 -0.640 -0.601 1.00 0.00 C ATOM 1283 C LEU A 80 19.008 -1.085 0.417 1.00 0.00 C ATOM 1284 O LEU A 80 20.184 -0.736 0.359 1.00 0.00 O ATOM 1285 CB LEU A 80 18.258 -1.189 -2.003 1.00 0.00 C ATOM 1286 CG LEU A 80 18.981 -0.271 -2.985 1.00 0.00 C ATOM 1287 CD1 LEU A 80 20.488 -0.311 -2.789 1.00 0.00 C ATOM 1288 CD2 LEU A 80 18.617 -0.697 -4.380 1.00 0.00 C ATOM 0 H LEU A 80 16.639 0.991 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 80 17.020 -1.094 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.857 -2.092 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.314 -1.490 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 80 18.670 0.759 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.966 0.356 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.732 0.011 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.848 -1.328 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.123 -0.054 -5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.925 -1.731 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.539 -0.616 -4.516 1.00 0.00 H new ATOM 1300 N TYR A 81 18.547 -1.924 1.325 1.00 0.00 N ATOM 1301 CA TYR A 81 19.359 -2.465 2.407 1.00 0.00 C ATOM 1302 C TYR A 81 19.384 -3.985 2.313 1.00 0.00 C ATOM 1303 O TYR A 81 18.337 -4.623 2.300 1.00 0.00 O ATOM 1304 CB TYR A 81 18.789 -2.015 3.757 1.00 0.00 C ATOM 1305 CG TYR A 81 19.330 -2.777 4.950 1.00 0.00 C ATOM 1306 CD1 TYR A 81 20.563 -2.461 5.506 1.00 0.00 C ATOM 1307 CD2 TYR A 81 18.603 -3.819 5.515 1.00 0.00 C ATOM 1308 CE1 TYR A 81 21.057 -3.164 6.590 1.00 0.00 C ATOM 1309 CE2 TYR A 81 19.089 -4.525 6.598 1.00 0.00 C ATOM 1310 CZ TYR A 81 20.317 -4.195 7.130 1.00 0.00 C ATOM 1311 OH TYR A 81 20.805 -4.897 8.210 1.00 0.00 O ATOM 0 H TYR A 81 17.583 -2.256 1.335 1.00 0.00 H new ATOM 0 HA TYR A 81 20.380 -2.092 2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 81 19.001 -0.954 3.892 1.00 0.00 H new ATOM 0 HB3 TYR A 81 17.705 -2.123 3.734 1.00 0.00 H new ATOM 0 HD1 TYR A 81 21.145 -1.654 5.086 1.00 0.00 H new ATOM 0 HD2 TYR A 81 17.641 -4.081 5.100 1.00 0.00 H new ATOM 0 HE1 TYR A 81 22.018 -2.907 7.011 1.00 0.00 H new ATOM 0 HE2 TYR A 81 18.510 -5.331 7.025 1.00 0.00 H new ATOM 0 HH TYR A 81 20.161 -5.589 8.468 1.00 0.00 H new ATOM 1321 N LEU A 82 20.579 -4.564 2.243 1.00 0.00 N ATOM 1322 CA LEU A 82 20.710 -6.002 2.051 1.00 0.00 C ATOM 1323 C LEU A 82 20.382 -6.696 3.372 1.00 0.00 C ATOM 1324 O LEU A 82 20.559 -6.096 4.430 1.00 0.00 O ATOM 1325 CB LEU A 82 22.128 -6.369 1.605 1.00 0.00 C ATOM 1326 CG LEU A 82 22.287 -7.756 0.954 1.00 0.00 C ATOM 1327 CD1 LEU A 82 22.456 -8.850 1.989 1.00 0.00 C ATOM 1328 CD2 LEU A 82 21.100 -8.063 0.057 1.00 0.00 C ATOM 0 H LEU A 82 21.464 -4.062 2.316 1.00 0.00 H new ATOM 0 HA LEU A 82 20.022 -6.327 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 82 22.473 -5.615 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 82 22.786 -6.318 2.472 1.00 0.00 H new ATOM 0 HG LEU A 82 23.194 -7.728 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 82 22.565 -9.812 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 82 23.345 -8.650 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 82 21.580 -8.876 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 82 21.230 -9.047 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 82 20.185 -8.053 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 82 21.033 -7.310 -0.728 1.00 0.00 H new ATOM 1340 N GLY A 83 19.892 -7.926 3.334 1.00 0.00 N ATOM 1341 CA GLY A 83 19.830 -8.717 4.554 1.00 0.00 C ATOM 1342 C GLY A 83 21.226 -9.090 5.039 1.00 0.00 C ATOM 1343 O GLY A 83 21.595 -10.262 5.082 1.00 0.00 O ATOM 0 H GLY A 83 19.540 -8.389 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.311 -8.154 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.250 -9.622 4.375 1.00 0.00 H new ATOM 1347 N GLY A 84 22.002 -8.071 5.373 1.00 0.00 N ATOM 1348 CA GLY A 84 23.393 -8.237 5.735 1.00 0.00 C ATOM 1349 C GLY A 84 24.170 -6.975 5.420 1.00 0.00 C ATOM 1350 O GLY A 84 24.466 -6.180 6.312 1.00 0.00 O ATOM 0 H GLY A 84 21.680 -7.104 5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 84 23.475 -8.468 6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 84 23.819 -9.080 5.192 1.00 0.00 H new ATOM 1354 N GLU A 85 24.495 -6.789 4.146 1.00 0.00 N ATOM 1355 CA GLU A 85 25.068 -5.541 3.664 1.00 0.00 C ATOM 1356 C GLU A 85 23.956 -4.503 3.483 1.00 0.00 C ATOM 1357 O GLU A 85 22.957 -4.525 4.193 1.00 0.00 O ATOM 1358 CB GLU A 85 25.776 -5.762 2.323 1.00 0.00 C ATOM 1359 CG GLU A 85 26.624 -7.023 2.240 1.00 0.00 C ATOM 1360 CD GLU A 85 25.803 -8.240 1.872 1.00 0.00 C ATOM 1361 OE1 GLU A 85 25.409 -8.356 0.691 1.00 0.00 O ATOM 1362 OE2 GLU A 85 25.521 -9.067 2.766 1.00 0.00 O ATOM 0 H GLU A 85 24.369 -7.496 3.422 1.00 0.00 H new ATOM 0 HA GLU A 85 25.794 -5.183 4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 85 25.024 -5.796 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 85 26.413 -4.901 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 85 27.412 -6.881 1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 85 27.114 -7.193 3.199 1.00 0.00 H new ATOM 1369 N THR A 86 24.115 -3.601 2.522 1.00 0.00 N ATOM 1370 CA THR A 86 23.057 -2.659 2.202 1.00 0.00 C ATOM 1371 C THR A 86 22.862 -2.524 0.684 1.00 0.00 C ATOM 1372 O THR A 86 23.541 -1.740 0.025 1.00 0.00 O ATOM 1373 CB THR A 86 23.313 -1.276 2.854 1.00 0.00 C ATOM 1374 OG1 THR A 86 22.327 -0.330 2.425 1.00 0.00 O ATOM 1375 CG2 THR A 86 24.711 -0.747 2.541 1.00 0.00 C ATOM 0 H THR A 86 24.959 -3.504 1.957 1.00 0.00 H new ATOM 0 HA THR A 86 22.133 -3.058 2.620 1.00 0.00 H new ATOM 0 HB THR A 86 23.241 -1.410 3.933 1.00 0.00 H new ATOM 0 HG1 THR A 86 22.501 0.538 2.846 1.00 0.00 H new ATOM 0 HG21 THR A 86 24.848 0.224 3.017 1.00 0.00 H new ATOM 0 HG22 THR A 86 25.457 -1.445 2.920 1.00 0.00 H new ATOM 0 HG23 THR A 86 24.827 -0.642 1.462 1.00 0.00 H new ATOM 1383 N HIS A 87 21.945 -3.327 0.124 1.00 0.00 N ATOM 1384 CA HIS A 87 21.617 -3.230 -1.300 1.00 0.00 C ATOM 1385 C HIS A 87 20.396 -4.062 -1.699 1.00 0.00 C ATOM 1386 O HIS A 87 20.150 -4.245 -2.887 1.00 0.00 O ATOM 1387 CB HIS A 87 22.807 -3.644 -2.173 1.00 0.00 C ATOM 1388 CG HIS A 87 23.256 -5.050 -1.933 1.00 0.00 C ATOM 1389 ND1 HIS A 87 22.734 -6.134 -2.602 1.00 0.00 N ATOM 1390 CD2 HIS A 87 24.163 -5.548 -1.064 1.00 0.00 C ATOM 1391 CE1 HIS A 87 23.301 -7.236 -2.152 1.00 0.00 C ATOM 1392 NE2 HIS A 87 24.178 -6.904 -1.225 1.00 0.00 N ATOM 0 H HIS A 87 21.424 -4.042 0.632 1.00 0.00 H new ATOM 0 HA HIS A 87 21.376 -2.181 -1.469 1.00 0.00 H new ATOM 0 HB2 HIS A 87 22.535 -3.531 -3.223 1.00 0.00 H new ATOM 0 HB3 HIS A 87 23.640 -2.967 -1.984 1.00 0.00 H new ATOM 0 HD2 HIS A 87 24.765 -4.979 -0.371 1.00 0.00 H new ATOM 0 HE1 HIS A 87 23.084 -8.240 -2.486 1.00 0.00 H new ATOM 0 HE2 HIS A 87 24.772 -7.555 -0.711 1.00 0.00 H new ATOM 1401 N GLU A 88 19.621 -4.539 -0.738 1.00 0.00 N ATOM 1402 CA GLU A 88 18.462 -5.361 -1.067 1.00 0.00 C ATOM 1403 C GLU A 88 17.222 -4.503 -1.104 1.00 0.00 C ATOM 1404 O GLU A 88 16.994 -3.679 -0.219 1.00 0.00 O ATOM 1405 CB GLU A 88 18.291 -6.508 -0.073 1.00 0.00 C ATOM 1406 CG GLU A 88 17.236 -7.524 -0.472 1.00 0.00 C ATOM 1407 CD GLU A 88 17.378 -8.834 0.275 1.00 0.00 C ATOM 1408 OE1 GLU A 88 17.928 -8.835 1.398 1.00 0.00 O ATOM 1409 OE2 GLU A 88 16.961 -9.877 -0.274 1.00 0.00 O ATOM 0 H GLU A 88 19.767 -4.377 0.258 1.00 0.00 H new ATOM 0 HA GLU A 88 18.623 -5.802 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.247 -7.019 0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 88 18.031 -6.094 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.246 -7.108 -0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.304 -7.712 -1.544 1.00 0.00 H new ATOM 1416 N HIS A 89 16.448 -4.669 -2.154 1.00 0.00 N ATOM 1417 CA HIS A 89 15.209 -3.935 -2.293 1.00 0.00 C ATOM 1418 C HIS A 89 14.309 -4.282 -1.114 1.00 0.00 C ATOM 1419 O HIS A 89 14.160 -5.451 -0.771 1.00 0.00 O ATOM 1420 CB HIS A 89 14.536 -4.281 -3.622 1.00 0.00 C ATOM 1421 CG HIS A 89 15.332 -3.891 -4.838 1.00 0.00 C ATOM 1422 ND1 HIS A 89 16.669 -3.553 -4.794 1.00 0.00 N ATOM 1423 CD2 HIS A 89 14.966 -3.783 -6.138 1.00 0.00 C ATOM 1424 CE1 HIS A 89 17.086 -3.247 -6.009 1.00 0.00 C ATOM 1425 NE2 HIS A 89 16.073 -3.381 -6.840 1.00 0.00 N ATOM 0 H HIS A 89 16.654 -5.305 -2.924 1.00 0.00 H new ATOM 0 HA HIS A 89 15.404 -2.863 -2.294 1.00 0.00 H new ATOM 0 HB2 HIS A 89 14.349 -5.354 -3.653 1.00 0.00 H new ATOM 0 HB3 HIS A 89 13.565 -3.787 -3.664 1.00 0.00 H new ATOM 0 HD2 HIS A 89 13.985 -3.977 -6.545 1.00 0.00 H new ATOM 0 HE1 HIS A 89 18.086 -2.940 -6.276 1.00 0.00 H new ATOM 0 HE2 HIS A 89 16.107 -3.213 -7.845 1.00 0.00 H new ATOM 1434 N TYR A 90 13.745 -3.276 -0.470 1.00 0.00 N ATOM 1435 CA TYR A 90 13.005 -3.508 0.759 1.00 0.00 C ATOM 1436 C TYR A 90 11.909 -2.470 0.940 1.00 0.00 C ATOM 1437 O TYR A 90 11.937 -1.409 0.316 1.00 0.00 O ATOM 1438 CB TYR A 90 13.956 -3.462 1.961 1.00 0.00 C ATOM 1439 CG TYR A 90 14.366 -2.060 2.364 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.284 -1.332 1.616 1.00 0.00 C ATOM 1441 CD2 TYR A 90 13.823 -1.464 3.494 1.00 0.00 C ATOM 1442 CE1 TYR A 90 15.643 -0.050 1.986 1.00 0.00 C ATOM 1443 CE2 TYR A 90 14.180 -0.185 3.872 1.00 0.00 C ATOM 1444 CZ TYR A 90 15.090 0.517 3.114 1.00 0.00 C ATOM 1445 OH TYR A 90 15.442 1.796 3.480 1.00 0.00 O ATOM 0 H TYR A 90 13.783 -2.302 -0.772 1.00 0.00 H new ATOM 0 HA TYR A 90 12.544 -4.493 0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.477 -3.948 2.810 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.851 -4.039 1.727 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.723 -1.774 0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.107 -2.012 4.089 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.354 0.506 1.393 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.749 0.261 4.756 1.00 0.00 H new ATOM 0 HH TYR A 90 14.962 2.046 4.297 1.00 0.00 H new ATOM 1455 N GLY A 91 10.956 -2.783 1.803 1.00 0.00 N ATOM 1456 CA GLY A 91 9.920 -1.834 2.147 1.00 0.00 C ATOM 1457 C GLY A 91 9.414 -2.051 3.557 1.00 0.00 C ATOM 1458 O GLY A 91 9.878 -2.958 4.252 1.00 0.00 O ATOM 0 H GLY A 91 10.882 -3.684 2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.308 -0.820 2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.092 -1.927 1.444 1.00 0.00 H new ATOM 1462 N ILE A 92 8.463 -1.230 3.980 1.00 0.00 N ATOM 1463 CA ILE A 92 7.913 -1.323 5.325 1.00 0.00 C ATOM 1464 C ILE A 92 6.465 -1.815 5.279 1.00 0.00 C ATOM 1465 O ILE A 92 5.585 -1.138 4.740 1.00 0.00 O ATOM 1466 CB ILE A 92 7.976 0.038 6.051 1.00 0.00 C ATOM 1467 CG1 ILE A 92 9.409 0.582 6.022 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.483 -0.101 7.488 1.00 0.00 C ATOM 1469 CD1 ILE A 92 9.559 1.954 6.640 1.00 0.00 C ATOM 0 H ILE A 92 8.055 -0.490 3.409 1.00 0.00 H new ATOM 0 HA ILE A 92 8.519 -2.039 5.880 1.00 0.00 H new ATOM 0 HB ILE A 92 7.325 0.743 5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.062 -0.115 6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.751 0.621 4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.534 0.868 7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.452 -0.454 7.486 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.110 -0.816 8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.601 2.268 6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.934 2.666 6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.250 1.918 7.685 1.00 0.00 H new ATOM 1481 N PRO A 93 6.211 -3.012 5.832 1.00 0.00 N ATOM 1482 CA PRO A 93 4.881 -3.640 5.831 1.00 0.00 C ATOM 1483 C PRO A 93 3.821 -2.837 6.584 1.00 0.00 C ATOM 1484 O PRO A 93 3.984 -2.503 7.759 1.00 0.00 O ATOM 1485 CB PRO A 93 5.112 -4.981 6.538 1.00 0.00 C ATOM 1486 CG PRO A 93 6.573 -5.226 6.436 1.00 0.00 C ATOM 1487 CD PRO A 93 7.214 -3.870 6.481 1.00 0.00 C ATOM 0 HA PRO A 93 4.496 -3.723 4.815 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.791 -4.938 7.579 1.00 0.00 H new ATOM 0 HB3 PRO A 93 4.544 -5.780 6.062 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.924 -5.853 7.256 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.820 -5.746 5.510 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.417 -3.552 7.504 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.165 -3.854 5.948 1.00 0.00 H new ATOM 1495 N HIS A 94 2.741 -2.520 5.884 1.00 0.00 N ATOM 1496 CA HIS A 94 1.568 -1.907 6.495 1.00 0.00 C ATOM 1497 C HIS A 94 0.349 -2.772 6.211 1.00 0.00 C ATOM 1498 O HIS A 94 0.409 -3.670 5.364 1.00 0.00 O ATOM 1499 CB HIS A 94 1.326 -0.497 5.947 1.00 0.00 C ATOM 1500 CG HIS A 94 2.366 0.507 6.332 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.655 0.478 5.851 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.291 1.594 7.132 1.00 0.00 C ATOM 1503 CE1 HIS A 94 4.327 1.499 6.339 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.525 2.198 7.120 1.00 0.00 N ATOM 0 H HIS A 94 2.652 -2.679 4.880 1.00 0.00 H new ATOM 0 HA HIS A 94 1.740 -1.830 7.569 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.274 -0.548 4.859 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.355 -0.147 6.297 1.00 0.00 H new ATOM 0 HD1 HIS A 94 4.031 -0.225 5.215 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.421 1.926 7.680 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.363 1.727 6.134 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.755 -2.478 6.882 1.00 0.00 N ATOM 1514 CA GLY A 95 -1.971 -3.244 6.687 1.00 0.00 C ATOM 1515 C GLY A 95 -3.124 -2.684 7.489 1.00 0.00 C ATOM 1516 O GLY A 95 -2.913 -1.979 8.480 1.00 0.00 O ATOM 0 H GLY A 95 -0.831 -1.720 7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.232 -3.247 5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.797 -4.281 6.976 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.346 -3.000 7.068 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.538 -2.367 7.625 1.00 0.00 C ATOM 1522 C PHE A 96 -6.685 -3.363 7.707 1.00 0.00 C ATOM 1523 O PHE A 96 -6.488 -4.563 7.522 1.00 0.00 O ATOM 1524 CB PHE A 96 -5.955 -1.175 6.754 1.00 0.00 C ATOM 1525 CG PHE A 96 -4.820 -0.254 6.424 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.392 0.701 7.332 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.165 -0.358 5.208 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.331 1.533 7.030 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.109 0.472 4.904 1.00 0.00 C ATOM 1530 CZ PHE A 96 -2.690 1.420 5.814 1.00 0.00 C ATOM 0 H PHE A 96 -4.537 -3.691 6.342 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.303 -2.018 8.630 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.393 -1.547 5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.732 -0.612 7.270 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.892 0.796 8.284 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.486 -1.098 4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.004 2.272 7.746 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.608 0.380 3.952 1.00 0.00 H new ATOM 0 HZ PHE A 96 -1.863 2.072 5.575 1.00 0.00 H new ATOM 1540 N SER A 97 -7.886 -2.861 7.968 1.00 0.00 N ATOM 1541 CA SER A 97 -9.061 -3.713 8.097 1.00 0.00 C ATOM 1542 C SER A 97 -10.335 -2.944 7.753 1.00 0.00 C ATOM 1543 O SER A 97 -11.439 -3.378 8.079 1.00 0.00 O ATOM 1544 CB SER A 97 -9.158 -4.254 9.526 1.00 0.00 C ATOM 1545 OG SER A 97 -7.990 -4.974 9.883 1.00 0.00 O ATOM 0 H SER A 97 -8.072 -1.866 8.095 1.00 0.00 H new ATOM 0 HA SER A 97 -8.958 -4.543 7.398 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.305 -3.427 10.221 1.00 0.00 H new ATOM 0 HB3 SER A 97 -10.029 -4.903 9.613 1.00 0.00 H new ATOM 0 HG SER A 97 -8.079 -5.307 10.800 1.00 0.00 H new ATOM 1551 N SER A 98 -10.180 -1.811 7.079 1.00 0.00 N ATOM 1552 CA SER A 98 -11.318 -0.978 6.713 1.00 0.00 C ATOM 1553 C SER A 98 -10.996 -0.145 5.477 1.00 0.00 C ATOM 1554 O SER A 98 -9.866 0.325 5.310 1.00 0.00 O ATOM 1555 CB SER A 98 -11.702 -0.065 7.882 1.00 0.00 C ATOM 1556 OG SER A 98 -12.081 -0.824 9.018 1.00 0.00 O ATOM 0 H SER A 98 -9.277 -1.448 6.775 1.00 0.00 H new ATOM 0 HA SER A 98 -12.162 -1.627 6.481 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.861 0.580 8.136 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.524 0.586 7.585 1.00 0.00 H new ATOM 0 HG SER A 98 -12.320 -0.219 9.751 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.997 0.023 4.615 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.847 0.789 3.380 1.00 0.00 C ATOM 1564 C ARG A 99 -11.460 2.228 3.691 1.00 0.00 C ATOM 1565 O ARG A 99 -10.424 2.719 3.244 1.00 0.00 O ATOM 1566 CB ARG A 99 -13.157 0.786 2.584 1.00 0.00 C ATOM 1567 CG ARG A 99 -13.716 -0.601 2.312 1.00 0.00 C ATOM 1568 CD ARG A 99 -15.078 -0.528 1.633 1.00 0.00 C ATOM 1569 NE ARG A 99 -14.993 -0.060 0.248 1.00 0.00 N ATOM 1570 CZ ARG A 99 -15.508 1.094 -0.188 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -16.052 1.952 0.666 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -15.469 1.392 -1.481 1.00 0.00 N ATOM 0 H ARG A 99 -12.930 -0.366 4.752 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.061 0.321 2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.902 1.366 3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.993 1.292 1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -13.023 -1.157 1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.804 -1.150 3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.542 -1.514 1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -15.727 0.140 2.199 1.00 0.00 H new ATOM 0 HE ARG A 99 -14.510 -0.652 -0.427 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.079 1.733 1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -16.443 2.831 0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.046 0.740 -2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.862 2.273 -1.813 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.309 2.889 4.474 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.108 4.287 4.836 1.00 0.00 C ATOM 1588 C ILE A 100 -10.793 4.482 5.598 1.00 0.00 C ATOM 1589 O ILE A 100 -10.160 5.531 5.492 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.297 4.826 5.672 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -13.089 6.303 6.039 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.493 3.988 6.926 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -12.934 7.217 4.840 1.00 0.00 C ATOM 0 H ILE A 100 -13.150 2.472 4.873 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.053 4.856 3.908 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.197 4.753 5.062 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.936 6.642 6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.202 6.390 6.667 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.332 4.382 7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.699 2.955 6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.589 4.025 7.534 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.791 8.243 5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.069 6.905 4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.830 7.161 4.222 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.379 3.465 6.351 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.122 3.529 7.086 1.00 0.00 C ATOM 1607 C ALA A 101 -7.964 3.775 6.128 1.00 0.00 C ATOM 1608 O ALA A 101 -7.238 4.756 6.261 1.00 0.00 O ATOM 1609 CB ALA A 101 -8.899 2.251 7.881 1.00 0.00 C ATOM 0 H ALA A 101 -10.894 2.592 6.467 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.173 4.360 7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.955 2.319 8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.715 2.117 8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.866 1.400 7.200 1.00 0.00 H new ATOM 1615 N LEU A 102 -7.826 2.897 5.141 1.00 0.00 N ATOM 1616 CA LEU A 102 -6.788 3.044 4.127 1.00 0.00 C ATOM 1617 C LEU A 102 -6.957 4.365 3.381 1.00 0.00 C ATOM 1618 O LEU A 102 -5.986 5.080 3.130 1.00 0.00 O ATOM 1619 CB LEU A 102 -6.848 1.866 3.146 1.00 0.00 C ATOM 1620 CG LEU A 102 -5.952 1.982 1.906 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.498 2.165 2.301 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.110 0.756 1.020 1.00 0.00 C ATOM 0 H LEU A 102 -8.420 2.076 5.021 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.814 3.048 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.577 0.957 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.880 1.745 2.815 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.264 2.862 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.884 2.245 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.394 3.074 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.170 1.308 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.468 0.854 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.827 -0.136 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.148 0.670 0.700 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.203 4.686 3.067 1.00 0.00 N ATOM 1635 CA GLU A 103 -8.537 5.875 2.297 1.00 0.00 C ATOM 1636 C GLU A 103 -8.029 7.148 2.984 1.00 0.00 C ATOM 1637 O GLU A 103 -7.336 7.963 2.372 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.052 5.948 2.109 1.00 0.00 C ATOM 1639 CG GLU A 103 -10.470 6.550 0.782 1.00 0.00 C ATOM 1640 CD GLU A 103 -11.970 6.536 0.593 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -12.532 5.457 0.319 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -12.602 7.604 0.711 1.00 0.00 O ATOM 0 H GLU A 103 -9.013 4.128 3.339 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.047 5.805 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.469 4.944 2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.482 6.538 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.108 7.576 0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.998 5.997 -0.030 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.365 7.308 4.261 1.00 0.00 N ATOM 1650 CA ARG A 104 -7.986 8.506 5.005 1.00 0.00 C ATOM 1651 C ARG A 104 -6.485 8.550 5.272 1.00 0.00 C ATOM 1652 O ARG A 104 -5.910 9.623 5.442 1.00 0.00 O ATOM 1653 CB ARG A 104 -8.746 8.596 6.327 1.00 0.00 C ATOM 1654 CG ARG A 104 -8.476 7.450 7.283 1.00 0.00 C ATOM 1655 CD ARG A 104 -9.131 7.691 8.627 1.00 0.00 C ATOM 1656 NE ARG A 104 -8.575 8.861 9.307 1.00 0.00 N ATOM 1657 CZ ARG A 104 -9.298 9.704 10.043 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -10.616 9.566 10.100 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -8.712 10.706 10.686 1.00 0.00 N ATOM 0 H ARG A 104 -8.897 6.626 4.801 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.251 9.362 4.385 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.485 9.533 6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.815 8.633 6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.850 6.520 6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.401 7.330 7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.203 7.828 8.488 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.001 6.811 9.256 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.576 9.042 9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.073 8.816 9.581 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.172 10.210 10.663 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.702 10.834 10.618 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.271 11.348 11.248 1.00 0.00 H new ATOM 1673 N TYR A 105 -5.854 7.389 5.325 1.00 0.00 N ATOM 1674 CA TYR A 105 -4.421 7.324 5.520 1.00 0.00 C ATOM 1675 C TYR A 105 -3.685 7.718 4.243 1.00 0.00 C ATOM 1676 O TYR A 105 -2.655 8.384 4.302 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.007 5.934 6.001 1.00 0.00 C ATOM 1678 CG TYR A 105 -4.506 5.612 7.398 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -4.768 6.623 8.314 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -4.724 4.301 7.794 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -5.233 6.335 9.584 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -5.187 4.003 9.063 1.00 0.00 C ATOM 1683 CZ TYR A 105 -5.443 5.024 9.953 1.00 0.00 C ATOM 1684 OH TYR A 105 -5.908 4.734 11.217 1.00 0.00 O ATOM 0 H TYR A 105 -6.313 6.482 5.236 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.142 8.039 6.294 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.388 5.187 5.305 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -2.920 5.860 5.984 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.606 7.652 8.029 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.529 3.498 7.099 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.431 7.134 10.283 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.347 2.976 9.355 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.003 3.764 11.316 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.222 7.319 3.089 1.00 0.00 N ATOM 1695 CA LEU A 106 -3.704 7.794 1.804 1.00 0.00 C ATOM 1696 C LEU A 106 -3.831 9.310 1.748 1.00 0.00 C ATOM 1697 O LEU A 106 -2.912 10.022 1.333 1.00 0.00 O ATOM 1698 CB LEU A 106 -4.484 7.179 0.638 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.410 5.657 0.514 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.303 5.177 -0.622 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -2.974 5.203 0.292 1.00 0.00 C ATOM 0 H LEU A 106 -5.009 6.674 3.017 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.659 7.496 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.531 7.466 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.118 7.618 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.765 5.218 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.241 4.092 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.334 5.468 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.974 5.627 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.945 4.117 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.589 5.649 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.359 5.517 1.135 1.00 0.00 H new ATOM 1713 N ASN A 107 -4.994 9.774 2.184 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.305 11.194 2.294 1.00 0.00 C ATOM 1715 C ASN A 107 -4.247 11.922 3.108 1.00 0.00 C ATOM 1716 O ASN A 107 -3.613 12.861 2.632 1.00 0.00 O ATOM 1717 CB ASN A 107 -6.665 11.344 2.978 1.00 0.00 C ATOM 1718 CG ASN A 107 -7.067 12.786 3.226 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -7.664 13.434 2.367 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -6.765 13.286 4.417 1.00 0.00 N ATOM 0 H ASN A 107 -5.760 9.166 2.476 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.327 11.631 1.296 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.426 10.865 2.363 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.644 10.813 3.930 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -7.029 14.243 4.650 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.269 12.713 5.100 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.077 11.476 4.339 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.149 12.117 5.259 1.00 0.00 C ATOM 1729 C GLY A 108 -1.687 11.978 4.860 1.00 0.00 C ATOM 1730 O GLY A 108 -0.980 12.979 4.732 1.00 0.00 O ATOM 0 H GLY A 108 -4.569 10.671 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.397 13.176 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.286 11.691 6.253 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.242 10.740 4.652 1.00 0.00 N ATOM 1735 CA LEU A 109 0.173 10.450 4.413 1.00 0.00 C ATOM 1736 C LEU A 109 0.693 11.153 3.164 1.00 0.00 C ATOM 1737 O LEU A 109 1.673 11.896 3.221 1.00 0.00 O ATOM 1738 CB LEU A 109 0.390 8.940 4.279 1.00 0.00 C ATOM 1739 CG LEU A 109 1.832 8.507 3.999 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.744 8.898 5.149 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.900 7.009 3.753 1.00 0.00 C ATOM 0 H LEU A 109 -1.844 9.917 4.644 1.00 0.00 H new ATOM 0 HA LEU A 109 0.731 10.827 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.056 8.459 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.246 8.568 3.475 1.00 0.00 H new ATOM 0 HG LEU A 109 2.174 9.021 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.763 8.581 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.721 9.980 5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.403 8.414 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.932 6.719 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.536 6.479 4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.281 6.753 2.893 1.00 0.00 H new ATOM 1753 N PHE A 110 0.038 10.916 2.038 1.00 0.00 N ATOM 1754 CA PHE A 110 0.492 11.474 0.775 1.00 0.00 C ATOM 1755 C PHE A 110 -0.062 12.878 0.576 1.00 0.00 C ATOM 1756 O PHE A 110 0.694 13.824 0.347 1.00 0.00 O ATOM 1757 CB PHE A 110 0.086 10.569 -0.392 1.00 0.00 C ATOM 1758 CG PHE A 110 0.684 9.193 -0.310 1.00 0.00 C ATOM 1759 CD1 PHE A 110 2.055 9.013 -0.423 1.00 0.00 C ATOM 1760 CD2 PHE A 110 -0.119 8.083 -0.113 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.609 7.751 -0.343 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.431 6.818 -0.030 1.00 0.00 C ATOM 1763 CZ PHE A 110 1.796 6.653 -0.146 1.00 0.00 C ATOM 0 H PHE A 110 -0.804 10.345 1.973 1.00 0.00 H new ATOM 0 HA PHE A 110 1.580 11.535 0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.000 10.485 -0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 110 0.391 11.036 -1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.696 9.869 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.188 8.207 -0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.677 7.623 -0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.206 5.960 0.125 1.00 0.00 H new ATOM 0 HZ PHE A 110 2.228 5.665 -0.083 1.00 0.00 H new ATOM 1773 N GLY A 111 -1.379 13.011 0.692 1.00 0.00 N ATOM 1774 CA GLY A 111 -2.018 14.295 0.485 1.00 0.00 C ATOM 1775 C GLY A 111 -1.913 14.749 -0.950 1.00 0.00 C ATOM 1776 O GLY A 111 -1.488 15.873 -1.232 1.00 0.00 O ATOM 0 H GLY A 111 -2.016 12.249 0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.068 14.228 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.558 15.039 1.136 1.00 0.00 H new ATOM 1780 N ASP A 112 -2.303 13.876 -1.866 1.00 0.00 N ATOM 1781 CA ASP A 112 -2.186 14.141 -3.264 1.00 0.00 C ATOM 1782 C ASP A 112 -3.473 14.780 -3.743 1.00 0.00 C ATOM 1783 O ASP A 112 -4.075 15.601 -3.051 1.00 0.00 O ATOM 1784 CB ASP A 112 -1.910 12.814 -3.995 1.00 0.00 C ATOM 1785 CG ASP A 112 -1.363 12.987 -5.402 1.00 0.00 C ATOM 1786 OD1 ASP A 112 -0.147 13.208 -5.548 1.00 0.00 O ATOM 1787 OD2 ASP A 112 -2.155 12.880 -6.364 1.00 0.00 O ATOM 0 H ASP A 112 -2.708 12.966 -1.645 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.363 14.825 -3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.201 12.229 -3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -2.834 12.238 -4.044 1.00 0.00 H new TER 1792 ASP A 112