USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1146 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 99 SER OG : rot -117:sc= 0.205 USER MOD Set 1.2: A 115 CYS SG : rot 180:sc= 0.195 USER MOD Set 1.3: A 119 THR OG1 : rot 55:sc= 0.692 USER MOD Set 2.1: A 102 ASN : amide:sc= 0.246 K(o=0.33,f=-0.18) USER MOD Set 2.2: A 126 HIS : no HE2:sc= 0.0833 K(o=0.33,f=-5.1!) USER MOD Set 3.1: A 62 CYS SG : rot 146:sc= 0 USER MOD Set 3.2: A 142 MET CE :methyl -158:sc= -0.23 (180deg=-1.25) USER MOD Set 4.1: A 48 TYR OH : rot -36:sc= -1! USER MOD Set 4.2: A 54 HIS : no HD1:sc= -0.281 K(o=-2.3,f=-5.3!) USER MOD Set 4.3: A 111 GLN : amide:sc= -0.994 K(o=-2.3,f=-3!) USER MOD Set 5.1: A 35 ASN : amide:sc= 1.08 K(o=3.4,f=0.94) USER MOD Set 5.2: A 110 SER OG : rot 52:sc= 2.31 USER MOD Single : A 3 ASN : amide:sc= 0.191 K(o=0.19,f=-7.6!) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00809 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -101:sc= 1.14 (180deg=-0.454) USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0255) USER MOD Single : A 32 THR OG1 : rot -95:sc= -2.23! USER MOD Single : A 40 SER OG : rot 144:sc= -0.0743 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= -0.199 (180deg=-0.98) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= 0.529! (180deg=-0.36!) USER MOD Single : A 51 SER OG : rot 51:sc= -0.24 USER MOD Single : A 52 CYS SG : rot 180:sc= -0.304 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -3.5 K(o=-3.5,f=-16!) USER MOD Single : A 77 SER OG : rot -78:sc= 2.1 USER MOD Single : A 79 TYR OH : rot -155:sc= 0.96 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0.75 K(o=0.75,f=-5.7!) USER MOD Single : A 91 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.115) USER MOD Single : A 92 HIS : no HD1:sc= -1.97 X(o=-2,f=-2.5) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0704 USER MOD Single : A 100 MET CE :methyl 166:sc= 0 (180deg=-0.111) USER MOD Single : A 106 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.01) USER MOD Single : A 107 THR OG1 : rot 79:sc= 0.781 USER MOD Single : A 108 ASN : amide:sc= 0.725 K(o=0.72,f=-0.46) USER MOD Single : A 116 THR OG1 : rot 177:sc= 1.06 USER MOD Single : A 118 LYS NZ :NH3+ 173:sc= 0.483 (180deg=0.252) USER MOD Single : A 125 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.21) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ -138:sc= 1.24 (180deg=0.502) USER MOD Single : A 136 MET CE :methyl -161:sc= -0.0202 (180deg=-0.728) USER MOD Single : A 137 ASN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 147 SER OG : rot -7:sc= 1.03 USER MOD Single : A 149 ASN : amide:sc= -0.769 K(o=-0.77,f=-12!) USER MOD Single : A 151 LYS NZ :NH3+ -175:sc= 2.02 (180deg=1.93) USER MOD Single : A 152 THR OG1 : rot -140:sc= -0.499 USER MOD Single : A 153 SER OG : rot 170:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ -155:sc= 1.26 (180deg=0.362) USER MOD Single : A 155 LYS NZ :NH3+ -153:sc= 1.08 (180deg=-0.147) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 161 CYS SG : rot 176:sc= -0.0411 USER MOD Single : A 163 GLN : amide:sc= -0.0288 K(o=-0.029,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 3 -0.080 -18.467 -6.213 1.00 1.64 N ATOM 35 CA ASN A 3 0.137 -17.086 -5.815 1.00 1.47 C ATOM 36 C ASN A 3 0.481 -17.037 -4.326 1.00 1.43 C ATOM 37 O ASN A 3 -0.150 -17.715 -3.516 1.00 1.73 O ATOM 38 CB ASN A 3 -1.122 -16.245 -6.038 1.00 1.37 C ATOM 39 CG ASN A 3 -1.471 -16.163 -7.525 1.00 1.55 C ATOM 40 OD1 ASN A 3 -0.926 -15.369 -8.274 1.00 2.51 O ATOM 41 ND2 ASN A 3 -2.408 -17.026 -7.909 1.00 1.78 N ATOM 0 HA ASN A 3 0.951 -16.684 -6.419 1.00 1.47 H new ATOM 0 HB2 ASN A 3 -1.957 -16.681 -5.489 1.00 1.37 H new ATOM 0 HB3 ASN A 3 -0.968 -15.242 -5.641 1.00 1.37 H new ATOM 0 HD21 ASN A 3 -2.711 -17.050 -8.883 1.00 1.78 H new ATOM 0 HD22 ASN A 3 -2.823 -17.664 -7.230 1.00 1.78 H new ATOM 48 N PRO A 4 1.508 -16.207 -4.000 1.00 1.22 N ATOM 49 CA PRO A 4 1.893 -16.000 -2.615 1.00 1.24 C ATOM 50 C PRO A 4 0.889 -15.096 -1.896 1.00 0.91 C ATOM 51 O PRO A 4 0.056 -14.455 -2.536 1.00 0.88 O ATOM 52 CB PRO A 4 3.289 -15.403 -2.679 1.00 1.46 C ATOM 53 CG PRO A 4 3.450 -14.869 -4.093 1.00 1.42 C ATOM 54 CD PRO A 4 2.328 -15.447 -4.940 1.00 1.20 C ATOM 0 HA PRO A 4 1.896 -16.924 -2.037 1.00 1.24 H new ATOM 0 HB2 PRO A 4 3.407 -14.606 -1.945 1.00 1.46 H new ATOM 0 HB3 PRO A 4 4.046 -16.155 -2.457 1.00 1.46 H new ATOM 0 HG2 PRO A 4 3.409 -13.780 -4.097 1.00 1.42 H new ATOM 0 HG3 PRO A 4 4.421 -15.153 -4.500 1.00 1.42 H new ATOM 0 HD2 PRO A 4 1.750 -14.659 -5.423 1.00 1.20 H new ATOM 0 HD3 PRO A 4 2.718 -16.086 -5.732 1.00 1.20 H new ATOM 62 N THR A 5 1.001 -15.072 -0.576 1.00 1.08 N ATOM 63 CA THR A 5 0.138 -14.229 0.233 1.00 0.86 C ATOM 64 C THR A 5 0.971 -13.385 1.200 1.00 0.82 C ATOM 65 O THR A 5 2.025 -13.822 1.660 1.00 1.08 O ATOM 66 CB THR A 5 -0.881 -15.129 0.934 1.00 1.08 C ATOM 67 OG1 THR A 5 -1.408 -15.939 -0.113 1.00 1.70 O ATOM 68 CG2 THR A 5 -2.093 -14.352 1.451 1.00 0.92 C ATOM 0 H THR A 5 1.677 -15.623 -0.047 1.00 1.08 H new ATOM 0 HA THR A 5 -0.408 -13.515 -0.384 1.00 0.86 H new ATOM 0 HB THR A 5 -0.399 -15.642 1.766 1.00 1.08 H new ATOM 0 HG1 THR A 5 -2.076 -16.554 0.254 1.00 1.70 H new ATOM 0 HG21 THR A 5 -2.784 -15.039 1.940 1.00 0.92 H new ATOM 0 HG22 THR A 5 -1.764 -13.598 2.166 1.00 0.92 H new ATOM 0 HG23 THR A 5 -2.596 -13.864 0.616 1.00 0.92 H new ATOM 76 N VAL A 6 0.467 -12.192 1.480 1.00 0.66 N ATOM 77 CA VAL A 6 1.196 -11.248 2.309 1.00 0.91 C ATOM 78 C VAL A 6 0.217 -10.533 3.242 1.00 1.04 C ATOM 79 O VAL A 6 -0.971 -10.432 2.942 1.00 1.05 O ATOM 80 CB VAL A 6 1.992 -10.284 1.427 1.00 1.04 C ATOM 81 CG1 VAL A 6 3.004 -9.490 2.256 1.00 2.30 C ATOM 82 CG2 VAL A 6 2.686 -11.030 0.285 1.00 2.42 C ATOM 0 H VAL A 6 -0.437 -11.858 1.147 1.00 0.66 H new ATOM 0 HA VAL A 6 1.920 -11.769 2.935 1.00 0.91 H new ATOM 0 HB VAL A 6 1.289 -9.576 0.987 1.00 1.04 H new ATOM 0 HG11 VAL A 6 3.556 -8.813 1.605 1.00 2.30 H new ATOM 0 HG12 VAL A 6 2.478 -8.914 3.017 1.00 2.30 H new ATOM 0 HG13 VAL A 6 3.699 -10.178 2.737 1.00 2.30 H new ATOM 0 HG21 VAL A 6 3.245 -10.321 -0.326 1.00 2.42 H new ATOM 0 HG22 VAL A 6 3.370 -11.771 0.698 1.00 2.42 H new ATOM 0 HG23 VAL A 6 1.938 -11.530 -0.331 1.00 2.42 H new ATOM 92 N PHE A 7 0.752 -10.056 4.356 1.00 1.24 N ATOM 93 CA PHE A 7 -0.050 -9.315 5.315 1.00 1.47 C ATOM 94 C PHE A 7 0.837 -8.511 6.268 1.00 1.04 C ATOM 95 O PHE A 7 2.055 -8.687 6.285 1.00 0.94 O ATOM 96 CB PHE A 7 -0.845 -10.343 6.122 1.00 1.82 C ATOM 97 CG PHE A 7 -0.052 -10.987 7.262 1.00 1.52 C ATOM 98 CD1 PHE A 7 0.733 -12.070 7.017 1.00 2.00 C ATOM 99 CD2 PHE A 7 -0.133 -10.476 8.520 1.00 2.70 C ATOM 100 CE1 PHE A 7 1.469 -12.667 8.075 1.00 2.19 C ATOM 101 CE2 PHE A 7 0.602 -11.073 9.577 1.00 2.87 C ATOM 102 CZ PHE A 7 1.388 -12.156 9.333 1.00 1.99 C ATOM 0 H PHE A 7 1.732 -10.168 4.616 1.00 1.24 H new ATOM 0 HA PHE A 7 -0.702 -8.615 4.792 1.00 1.47 H new ATOM 0 HB2 PHE A 7 -1.730 -9.859 6.536 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -1.195 -11.126 5.449 1.00 1.82 H new ATOM 0 HD1 PHE A 7 0.797 -12.476 6.018 1.00 2.00 H new ATOM 0 HD2 PHE A 7 -0.757 -9.616 8.714 1.00 2.70 H new ATOM 0 HE1 PHE A 7 2.093 -13.527 7.881 1.00 2.19 H new ATOM 0 HE2 PHE A 7 0.537 -10.667 10.576 1.00 2.87 H new ATOM 0 HZ PHE A 7 1.947 -12.610 10.138 1.00 1.99 H new ATOM 112 N PHE A 8 0.193 -7.646 7.037 1.00 1.02 N ATOM 113 CA PHE A 8 0.876 -6.950 8.114 1.00 0.92 C ATOM 114 C PHE A 8 -0.125 -6.399 9.132 1.00 0.81 C ATOM 115 O PHE A 8 -1.291 -6.180 8.805 1.00 0.96 O ATOM 116 CB PHE A 8 1.636 -5.783 7.481 1.00 1.77 C ATOM 117 CG PHE A 8 0.732 -4.704 6.880 1.00 1.59 C ATOM 118 CD1 PHE A 8 0.280 -3.685 7.659 1.00 3.39 C ATOM 119 CD2 PHE A 8 0.382 -4.764 5.568 1.00 2.02 C ATOM 120 CE1 PHE A 8 -0.558 -2.684 7.101 1.00 4.78 C ATOM 121 CE2 PHE A 8 -0.457 -3.763 5.010 1.00 3.57 C ATOM 122 CZ PHE A 8 -0.909 -2.744 5.789 1.00 4.71 C ATOM 0 H PHE A 8 -0.794 -7.411 6.936 1.00 1.02 H new ATOM 0 HA PHE A 8 1.544 -7.635 8.636 1.00 0.92 H new ATOM 0 HB2 PHE A 8 2.276 -5.327 8.237 1.00 1.77 H new ATOM 0 HB3 PHE A 8 2.291 -6.170 6.700 1.00 1.77 H new ATOM 0 HD1 PHE A 8 0.558 -3.637 8.701 1.00 3.39 H new ATOM 0 HD2 PHE A 8 0.742 -5.573 4.950 1.00 2.02 H new ATOM 0 HE1 PHE A 8 -0.917 -1.874 7.719 1.00 4.78 H new ATOM 0 HE2 PHE A 8 -0.736 -3.811 3.968 1.00 3.57 H new ATOM 0 HZ PHE A 8 -1.547 -1.982 5.365 1.00 4.71 H new ATOM 132 N ASP A 9 0.366 -6.189 10.344 1.00 0.76 N ATOM 133 CA ASP A 9 -0.504 -5.843 11.455 1.00 0.71 C ATOM 134 C ASP A 9 -0.424 -4.336 11.709 1.00 0.72 C ATOM 135 O ASP A 9 0.629 -3.727 11.524 1.00 0.80 O ATOM 136 CB ASP A 9 -0.075 -6.562 12.736 1.00 0.79 C ATOM 137 CG ASP A 9 -0.971 -6.310 13.950 1.00 1.44 C ATOM 138 OD1 ASP A 9 -1.990 -7.026 14.061 1.00 2.19 O ATOM 139 OD2 ASP A 9 -0.618 -5.408 14.739 1.00 2.51 O ATOM 0 H ASP A 9 1.356 -6.252 10.581 1.00 0.76 H new ATOM 0 HA ASP A 9 -1.519 -6.145 11.195 1.00 0.71 H new ATOM 0 HB2 ASP A 9 -0.046 -7.634 12.541 1.00 0.79 H new ATOM 0 HB3 ASP A 9 0.941 -6.256 12.984 1.00 0.79 H new ATOM 144 N ILE A 10 -1.550 -3.779 12.130 1.00 0.72 N ATOM 145 CA ILE A 10 -1.624 -2.353 12.399 1.00 0.75 C ATOM 146 C ILE A 10 -1.754 -2.129 13.907 1.00 0.78 C ATOM 147 O ILE A 10 -2.510 -2.830 14.579 1.00 0.82 O ATOM 148 CB ILE A 10 -2.748 -1.711 11.583 1.00 0.80 C ATOM 149 CG1 ILE A 10 -2.433 -1.756 10.086 1.00 0.98 C ATOM 150 CG2 ILE A 10 -3.032 -0.287 12.067 1.00 0.97 C ATOM 151 CD1 ILE A 10 -2.651 -3.162 9.523 1.00 1.18 C ATOM 0 H ILE A 10 -2.418 -4.289 12.291 1.00 0.72 H new ATOM 0 HA ILE A 10 -0.707 -1.857 12.080 1.00 0.75 H new ATOM 0 HB ILE A 10 -3.658 -2.291 11.738 1.00 0.80 H new ATOM 0 HG12 ILE A 10 -3.067 -1.045 9.556 1.00 0.98 H new ATOM 0 HG13 ILE A 10 -1.401 -1.449 9.918 1.00 0.98 H new ATOM 0 HG21 ILE A 10 -3.835 0.147 11.471 1.00 0.97 H new ATOM 0 HG22 ILE A 10 -3.331 -0.312 13.115 1.00 0.97 H new ATOM 0 HG23 ILE A 10 -2.133 0.320 11.961 1.00 0.97 H new ATOM 0 HD11 ILE A 10 -2.420 -3.167 8.458 1.00 1.18 H new ATOM 0 HD12 ILE A 10 -1.998 -3.866 10.039 1.00 1.18 H new ATOM 0 HD13 ILE A 10 -3.690 -3.456 9.671 1.00 1.18 H new ATOM 163 N ALA A 11 -1.005 -1.151 14.395 1.00 0.83 N ATOM 164 CA ALA A 11 -1.014 -0.838 15.814 1.00 0.86 C ATOM 165 C ALA A 11 -1.521 0.592 16.012 1.00 0.87 C ATOM 166 O ALA A 11 -0.949 1.538 15.474 1.00 1.01 O ATOM 167 CB ALA A 11 0.387 -1.045 16.392 1.00 1.02 C ATOM 0 H ALA A 11 -0.388 -0.565 13.833 1.00 0.83 H new ATOM 0 HA ALA A 11 -1.689 -1.505 16.350 1.00 0.86 H new ATOM 0 HB1 ALA A 11 0.380 -0.810 17.456 1.00 1.02 H new ATOM 0 HB2 ALA A 11 0.689 -2.083 16.251 1.00 1.02 H new ATOM 0 HB3 ALA A 11 1.092 -0.390 15.881 1.00 1.02 H new ATOM 173 N VAL A 12 -2.590 0.704 16.787 1.00 0.86 N ATOM 174 CA VAL A 12 -3.105 2.009 17.167 1.00 1.01 C ATOM 175 C VAL A 12 -2.509 2.413 18.518 1.00 0.99 C ATOM 176 O VAL A 12 -3.039 2.050 19.567 1.00 1.10 O ATOM 177 CB VAL A 12 -4.635 1.987 17.171 1.00 1.24 C ATOM 178 CG1 VAL A 12 -5.200 3.306 17.703 1.00 1.60 C ATOM 179 CG2 VAL A 12 -5.182 1.679 15.776 1.00 1.29 C ATOM 0 H VAL A 12 -3.113 -0.087 17.162 1.00 0.86 H new ATOM 0 HA VAL A 12 -2.806 2.764 16.440 1.00 1.01 H new ATOM 0 HB VAL A 12 -4.958 1.190 17.841 1.00 1.24 H new ATOM 0 HG11 VAL A 12 -6.289 3.265 17.696 1.00 1.60 H new ATOM 0 HG12 VAL A 12 -4.850 3.467 18.723 1.00 1.60 H new ATOM 0 HG13 VAL A 12 -4.864 4.127 17.070 1.00 1.60 H new ATOM 0 HG21 VAL A 12 -6.272 1.669 15.806 1.00 1.29 H new ATOM 0 HG22 VAL A 12 -4.845 2.444 15.076 1.00 1.29 H new ATOM 0 HG23 VAL A 12 -4.819 0.704 15.450 1.00 1.29 H new ATOM 189 N ASP A 13 -1.417 3.159 18.447 1.00 0.94 N ATOM 190 CA ASP A 13 -0.751 3.627 19.651 1.00 1.00 C ATOM 191 C ASP A 13 -0.534 2.447 20.600 1.00 1.08 C ATOM 192 O ASP A 13 -1.330 2.222 21.510 1.00 1.20 O ATOM 193 CB ASP A 13 -1.601 4.670 20.381 1.00 1.08 C ATOM 194 CG ASP A 13 -1.647 6.047 19.716 1.00 1.51 C ATOM 195 OD1 ASP A 13 -1.866 6.076 18.485 1.00 1.91 O ATOM 196 OD2 ASP A 13 -1.462 7.039 20.453 1.00 2.85 O ATOM 0 H ASP A 13 -0.976 3.451 17.575 1.00 0.94 H new ATOM 0 HA ASP A 13 0.198 4.076 19.358 1.00 1.00 H new ATOM 0 HB2 ASP A 13 -2.619 4.291 20.468 1.00 1.08 H new ATOM 0 HB3 ASP A 13 -1.217 4.785 21.394 1.00 1.08 H new ATOM 201 N GLY A 14 0.549 1.724 20.355 1.00 1.11 N ATOM 202 CA GLY A 14 0.947 0.647 21.245 1.00 1.28 C ATOM 203 C GLY A 14 -0.232 -0.280 21.546 1.00 1.30 C ATOM 204 O GLY A 14 -0.422 -0.699 22.687 1.00 1.48 O ATOM 0 H GLY A 14 1.163 1.863 19.553 1.00 1.11 H new ATOM 0 HA2 GLY A 14 1.757 0.076 20.791 1.00 1.28 H new ATOM 0 HA3 GLY A 14 1.334 1.063 22.175 1.00 1.28 H new ATOM 208 N GLU A 15 -0.994 -0.573 20.502 1.00 1.17 N ATOM 209 CA GLU A 15 -2.110 -1.495 20.626 1.00 1.25 C ATOM 210 C GLU A 15 -2.451 -2.102 19.264 1.00 1.09 C ATOM 211 O GLU A 15 -2.685 -1.377 18.298 1.00 1.08 O ATOM 212 CB GLU A 15 -3.329 -0.801 21.237 1.00 1.38 C ATOM 213 CG GLU A 15 -4.357 -1.825 21.724 1.00 1.61 C ATOM 214 CD GLU A 15 -5.596 -1.130 22.292 1.00 1.82 C ATOM 215 OE1 GLU A 15 -6.371 -0.593 21.471 1.00 2.48 O ATOM 216 OE2 GLU A 15 -5.740 -1.153 23.533 1.00 2.97 O ATOM 0 H GLU A 15 -0.860 -0.188 19.567 1.00 1.17 H new ATOM 0 HA GLU A 15 -1.817 -2.301 21.298 1.00 1.25 H new ATOM 0 HB2 GLU A 15 -3.014 -0.172 22.070 1.00 1.38 H new ATOM 0 HB3 GLU A 15 -3.787 -0.144 20.497 1.00 1.38 H new ATOM 0 HG2 GLU A 15 -4.647 -2.476 20.899 1.00 1.61 H new ATOM 0 HG3 GLU A 15 -3.909 -2.460 22.488 1.00 1.61 H new ATOM 223 N PRO A 16 -2.469 -3.461 19.228 1.00 0.98 N ATOM 224 CA PRO A 16 -2.751 -4.174 17.994 1.00 0.86 C ATOM 225 C PRO A 16 -4.241 -4.112 17.653 1.00 0.86 C ATOM 226 O PRO A 16 -5.074 -4.626 18.398 1.00 0.91 O ATOM 227 CB PRO A 16 -2.256 -5.591 18.236 1.00 0.82 C ATOM 228 CG PRO A 16 -2.143 -5.741 19.745 1.00 0.92 C ATOM 229 CD PRO A 16 -2.222 -4.352 20.358 1.00 1.02 C ATOM 0 HA PRO A 16 -2.252 -3.734 17.131 1.00 0.86 H new ATOM 0 HB2 PRO A 16 -2.949 -6.323 17.822 1.00 0.82 H new ATOM 0 HB3 PRO A 16 -1.292 -5.756 17.754 1.00 0.82 H new ATOM 0 HG2 PRO A 16 -2.945 -6.373 20.127 1.00 0.92 H new ATOM 0 HG3 PRO A 16 -1.202 -6.223 20.011 1.00 0.92 H new ATOM 0 HD2 PRO A 16 -3.023 -4.289 21.094 1.00 1.02 H new ATOM 0 HD3 PRO A 16 -1.296 -4.093 20.872 1.00 1.02 H new ATOM 237 N LEU A 17 -4.531 -3.477 16.527 1.00 0.86 N ATOM 238 CA LEU A 17 -5.907 -3.334 16.082 1.00 0.92 C ATOM 239 C LEU A 17 -6.360 -4.632 15.411 1.00 0.83 C ATOM 240 O LEU A 17 -7.456 -5.123 15.676 1.00 0.89 O ATOM 241 CB LEU A 17 -6.057 -2.098 15.192 1.00 1.07 C ATOM 242 CG LEU A 17 -7.464 -1.822 14.659 1.00 0.71 C ATOM 243 CD1 LEU A 17 -8.404 -1.392 15.786 1.00 1.02 C ATOM 244 CD2 LEU A 17 -7.428 -0.800 13.521 1.00 1.90 C ATOM 0 H LEU A 17 -3.837 -3.056 15.910 1.00 0.86 H new ATOM 0 HA LEU A 17 -6.566 -3.168 16.934 1.00 0.92 H new ATOM 0 HB2 LEU A 17 -5.726 -1.226 15.756 1.00 1.07 H new ATOM 0 HB3 LEU A 17 -5.382 -2.202 14.342 1.00 1.07 H new ATOM 0 HG LEU A 17 -7.861 -2.750 14.247 1.00 0.71 H new ATOM 0 HD11 LEU A 17 -9.397 -1.202 15.379 1.00 1.02 H new ATOM 0 HD12 LEU A 17 -8.463 -2.184 16.533 1.00 1.02 H new ATOM 0 HD13 LEU A 17 -8.023 -0.483 16.251 1.00 1.02 H new ATOM 0 HD21 LEU A 17 -8.441 -0.622 13.160 1.00 1.90 H new ATOM 0 HD22 LEU A 17 -7.003 0.135 13.885 1.00 1.90 H new ATOM 0 HD23 LEU A 17 -6.815 -1.184 12.706 1.00 1.90 H new ATOM 256 N GLY A 18 -5.492 -5.152 14.555 1.00 0.74 N ATOM 257 CA GLY A 18 -5.797 -6.374 13.830 1.00 0.78 C ATOM 258 C GLY A 18 -4.881 -6.533 12.614 1.00 0.76 C ATOM 259 O GLY A 18 -4.070 -5.654 12.324 1.00 0.84 O ATOM 0 H GLY A 18 -4.578 -4.750 14.347 1.00 0.74 H new ATOM 0 HA2 GLY A 18 -5.681 -7.232 14.492 1.00 0.78 H new ATOM 0 HA3 GLY A 18 -6.838 -6.359 13.506 1.00 0.78 H new ATOM 263 N ARG A 19 -5.041 -7.660 11.936 1.00 0.80 N ATOM 264 CA ARG A 19 -4.199 -7.972 10.794 1.00 0.85 C ATOM 265 C ARG A 19 -4.955 -7.712 9.490 1.00 0.87 C ATOM 266 O ARG A 19 -6.170 -7.889 9.427 1.00 1.04 O ATOM 267 CB ARG A 19 -3.743 -9.432 10.829 1.00 0.96 C ATOM 268 CG ARG A 19 -2.412 -9.574 11.569 1.00 1.42 C ATOM 269 CD ARG A 19 -2.637 -9.743 13.073 1.00 2.67 C ATOM 270 NE ARG A 19 -3.041 -11.135 13.372 1.00 2.91 N ATOM 271 CZ ARG A 19 -2.184 -12.159 13.480 1.00 3.47 C ATOM 272 NH1 ARG A 19 -0.879 -11.970 13.240 1.00 3.77 N ATOM 273 NH2 ARG A 19 -2.631 -13.373 13.828 1.00 4.79 N ATOM 0 H ARG A 19 -5.741 -8.368 12.156 1.00 0.80 H new ATOM 0 HA ARG A 19 -3.321 -7.328 10.843 1.00 0.85 H new ATOM 0 HB2 ARG A 19 -4.502 -10.042 11.319 1.00 0.96 H new ATOM 0 HB3 ARG A 19 -3.639 -9.809 9.811 1.00 0.96 H new ATOM 0 HG2 ARG A 19 -1.866 -10.433 11.180 1.00 1.42 H new ATOM 0 HG3 ARG A 19 -1.795 -8.695 11.386 1.00 1.42 H new ATOM 0 HD2 ARG A 19 -1.724 -9.496 13.615 1.00 2.67 H new ATOM 0 HD3 ARG A 19 -3.407 -9.051 13.414 1.00 2.67 H new ATOM 0 HE ARG A 19 -4.034 -11.327 13.504 1.00 2.91 H new ATOM 0 HH11 ARG A 19 -0.538 -11.046 12.975 1.00 3.77 H new ATOM 0 HH12 ARG A 19 -0.227 -12.750 13.322 1.00 3.77 H new ATOM 0 HH21 ARG A 19 -3.624 -13.518 14.011 1.00 4.79 H new ATOM 0 HH22 ARG A 19 -1.978 -14.153 13.910 1.00 4.79 H new ATOM 287 N VAL A 20 -4.204 -7.294 8.481 1.00 0.84 N ATOM 288 CA VAL A 20 -4.763 -7.131 7.150 1.00 0.86 C ATOM 289 C VAL A 20 -3.907 -7.902 6.144 1.00 1.16 C ATOM 290 O VAL A 20 -2.697 -7.695 6.065 1.00 2.37 O ATOM 291 CB VAL A 20 -4.886 -5.643 6.814 1.00 0.85 C ATOM 292 CG1 VAL A 20 -5.609 -5.441 5.481 1.00 0.90 C ATOM 293 CG2 VAL A 20 -5.590 -4.883 7.940 1.00 0.84 C ATOM 0 H VAL A 20 -3.213 -7.063 8.559 1.00 0.84 H new ATOM 0 HA VAL A 20 -5.770 -7.546 7.105 1.00 0.86 H new ATOM 0 HB VAL A 20 -3.879 -5.237 6.715 1.00 0.85 H new ATOM 0 HG11 VAL A 20 -5.683 -4.375 5.265 1.00 0.90 H new ATOM 0 HG12 VAL A 20 -5.050 -5.934 4.686 1.00 0.90 H new ATOM 0 HG13 VAL A 20 -6.609 -5.870 5.541 1.00 0.90 H new ATOM 0 HG21 VAL A 20 -5.664 -3.828 7.676 1.00 0.84 H new ATOM 0 HG22 VAL A 20 -6.590 -5.292 8.085 1.00 0.84 H new ATOM 0 HG23 VAL A 20 -5.018 -4.987 8.862 1.00 0.84 H new ATOM 303 N SER A 21 -4.568 -8.776 5.400 1.00 0.70 N ATOM 304 CA SER A 21 -3.872 -9.633 4.455 1.00 0.69 C ATOM 305 C SER A 21 -4.297 -9.290 3.026 1.00 0.58 C ATOM 306 O SER A 21 -5.304 -8.614 2.819 1.00 0.71 O ATOM 307 CB SER A 21 -4.143 -11.110 4.749 1.00 0.84 C ATOM 308 OG SER A 21 -5.510 -11.454 4.544 1.00 1.75 O ATOM 0 H SER A 21 -5.579 -8.909 5.432 1.00 0.70 H new ATOM 0 HA SER A 21 -2.801 -9.459 4.560 1.00 0.69 H new ATOM 0 HB2 SER A 21 -3.514 -11.728 4.109 1.00 0.84 H new ATOM 0 HB3 SER A 21 -3.864 -11.331 5.779 1.00 0.84 H new ATOM 0 HG SER A 21 -5.641 -12.405 4.741 1.00 1.75 H new ATOM 314 N PHE A 22 -3.508 -9.772 2.076 1.00 0.53 N ATOM 315 CA PHE A 22 -3.755 -9.473 0.676 1.00 0.55 C ATOM 316 C PHE A 22 -3.336 -10.644 -0.216 1.00 0.55 C ATOM 317 O PHE A 22 -2.324 -11.294 0.042 1.00 0.67 O ATOM 318 CB PHE A 22 -2.906 -8.250 0.323 1.00 0.66 C ATOM 319 CG PHE A 22 -3.008 -7.109 1.337 1.00 0.60 C ATOM 320 CD1 PHE A 22 -2.166 -7.070 2.404 1.00 1.88 C ATOM 321 CD2 PHE A 22 -3.941 -6.133 1.171 1.00 2.12 C ATOM 322 CE1 PHE A 22 -2.261 -6.011 3.345 1.00 2.03 C ATOM 323 CE2 PHE A 22 -4.036 -5.074 2.112 1.00 2.03 C ATOM 324 CZ PHE A 22 -3.193 -5.035 3.179 1.00 0.76 C ATOM 0 H PHE A 22 -2.698 -10.367 2.249 1.00 0.53 H new ATOM 0 HA PHE A 22 -4.818 -9.290 0.516 1.00 0.55 H new ATOM 0 HB2 PHE A 22 -1.863 -8.556 0.239 1.00 0.66 H new ATOM 0 HB3 PHE A 22 -3.209 -7.880 -0.657 1.00 0.66 H new ATOM 0 HD1 PHE A 22 -1.425 -7.845 2.536 1.00 1.88 H new ATOM 0 HD2 PHE A 22 -4.610 -6.164 0.323 1.00 2.12 H new ATOM 0 HE1 PHE A 22 -1.593 -5.981 4.193 1.00 2.03 H new ATOM 0 HE2 PHE A 22 -4.777 -4.300 1.981 1.00 2.03 H new ATOM 0 HZ PHE A 22 -3.264 -4.229 3.894 1.00 0.76 H new ATOM 334 N GLU A 23 -4.135 -10.876 -1.247 1.00 0.59 N ATOM 335 CA GLU A 23 -3.806 -11.889 -2.235 1.00 0.64 C ATOM 336 C GLU A 23 -3.338 -11.230 -3.535 1.00 0.97 C ATOM 337 O GLU A 23 -4.037 -10.387 -4.094 1.00 1.84 O ATOM 338 CB GLU A 23 -4.997 -12.815 -2.489 1.00 0.82 C ATOM 339 CG GLU A 23 -5.643 -13.251 -1.172 1.00 2.00 C ATOM 340 CD GLU A 23 -6.733 -14.297 -1.415 1.00 2.48 C ATOM 341 OE1 GLU A 23 -7.198 -14.373 -2.573 1.00 2.22 O ATOM 342 OE2 GLU A 23 -7.075 -14.997 -0.438 1.00 3.80 O ATOM 0 H GLU A 23 -5.009 -10.380 -1.420 1.00 0.59 H new ATOM 0 HA GLU A 23 -2.991 -12.498 -1.844 1.00 0.64 H new ATOM 0 HB2 GLU A 23 -5.734 -12.304 -3.108 1.00 0.82 H new ATOM 0 HB3 GLU A 23 -4.668 -13.693 -3.045 1.00 0.82 H new ATOM 0 HG2 GLU A 23 -4.882 -13.661 -0.508 1.00 2.00 H new ATOM 0 HG3 GLU A 23 -6.072 -12.384 -0.669 1.00 2.00 H new ATOM 349 N LEU A 24 -2.158 -11.641 -3.977 1.00 0.87 N ATOM 350 CA LEU A 24 -1.532 -11.016 -5.129 1.00 1.01 C ATOM 351 C LEU A 24 -1.781 -11.877 -6.369 1.00 1.05 C ATOM 352 O LEU A 24 -1.880 -13.100 -6.270 1.00 1.31 O ATOM 353 CB LEU A 24 -0.052 -10.746 -4.855 1.00 1.11 C ATOM 354 CG LEU A 24 0.272 -10.080 -3.516 1.00 1.16 C ATOM 355 CD1 LEU A 24 1.778 -9.858 -3.364 1.00 1.72 C ATOM 356 CD2 LEU A 24 -0.518 -8.781 -3.346 1.00 2.24 C ATOM 0 H LEU A 24 -1.620 -12.399 -3.558 1.00 0.87 H new ATOM 0 HA LEU A 24 -1.979 -10.041 -5.322 1.00 1.01 H new ATOM 0 HB2 LEU A 24 0.485 -11.693 -4.906 1.00 1.11 H new ATOM 0 HB3 LEU A 24 0.336 -10.116 -5.655 1.00 1.11 H new ATOM 0 HG LEU A 24 -0.037 -10.753 -2.716 1.00 1.16 H new ATOM 0 HD11 LEU A 24 1.981 -9.383 -2.404 1.00 1.72 H new ATOM 0 HD12 LEU A 24 2.294 -10.817 -3.411 1.00 1.72 H new ATOM 0 HD13 LEU A 24 2.134 -9.215 -4.169 1.00 1.72 H new ATOM 0 HD21 LEU A 24 -0.270 -8.327 -2.387 1.00 2.24 H new ATOM 0 HD22 LEU A 24 -0.262 -8.092 -4.151 1.00 2.24 H new ATOM 0 HD23 LEU A 24 -1.586 -8.997 -3.380 1.00 2.24 H new ATOM 368 N PHE A 25 -1.875 -11.207 -7.508 1.00 0.94 N ATOM 369 CA PHE A 25 -2.065 -11.899 -8.771 1.00 0.95 C ATOM 370 C PHE A 25 -0.727 -12.130 -9.476 1.00 0.99 C ATOM 371 O PHE A 25 -0.508 -11.629 -10.578 1.00 1.27 O ATOM 372 CB PHE A 25 -2.941 -11.001 -9.646 1.00 0.97 C ATOM 373 CG PHE A 25 -4.321 -10.709 -9.053 1.00 0.85 C ATOM 374 CD1 PHE A 25 -5.075 -11.724 -8.552 1.00 1.66 C ATOM 375 CD2 PHE A 25 -4.794 -9.434 -9.026 1.00 1.95 C ATOM 376 CE1 PHE A 25 -6.355 -11.453 -8.001 1.00 1.58 C ATOM 377 CE2 PHE A 25 -6.074 -9.163 -8.476 1.00 2.12 C ATOM 378 CZ PHE A 25 -6.828 -10.179 -7.975 1.00 1.07 C ATOM 0 H PHE A 25 -1.823 -10.191 -7.582 1.00 0.94 H new ATOM 0 HA PHE A 25 -2.526 -12.871 -8.597 1.00 0.95 H new ATOM 0 HB2 PHE A 25 -2.422 -10.057 -9.814 1.00 0.97 H new ATOM 0 HB3 PHE A 25 -3.068 -11.473 -10.620 1.00 0.97 H new ATOM 0 HD1 PHE A 25 -4.700 -12.737 -8.573 1.00 1.66 H new ATOM 0 HD2 PHE A 25 -4.195 -8.628 -9.423 1.00 1.95 H new ATOM 0 HE1 PHE A 25 -6.953 -12.259 -7.602 1.00 1.58 H new ATOM 0 HE2 PHE A 25 -6.450 -8.151 -8.455 1.00 2.12 H new ATOM 0 HZ PHE A 25 -7.802 -9.973 -7.557 1.00 1.07 H new ATOM 388 N ALA A 26 0.133 -12.889 -8.812 1.00 0.79 N ATOM 389 CA ALA A 26 1.438 -13.202 -9.368 1.00 0.87 C ATOM 390 C ALA A 26 1.259 -13.978 -10.674 1.00 0.99 C ATOM 391 O ALA A 26 2.148 -13.983 -11.524 1.00 1.13 O ATOM 392 CB ALA A 26 2.259 -13.979 -8.336 1.00 0.93 C ATOM 0 H ALA A 26 -0.049 -13.296 -7.895 1.00 0.79 H new ATOM 0 HA ALA A 26 1.985 -12.288 -9.600 1.00 0.87 H new ATOM 0 HB1 ALA A 26 3.238 -14.214 -8.753 1.00 0.93 H new ATOM 0 HB2 ALA A 26 2.382 -13.373 -7.438 1.00 0.93 H new ATOM 0 HB3 ALA A 26 1.742 -14.904 -8.081 1.00 0.93 H new ATOM 398 N ASP A 27 0.103 -14.614 -10.793 1.00 1.08 N ATOM 399 CA ASP A 27 -0.223 -15.352 -12.002 1.00 1.19 C ATOM 400 C ASP A 27 -0.172 -14.405 -13.202 1.00 1.21 C ATOM 401 O ASP A 27 0.292 -14.783 -14.276 1.00 1.52 O ATOM 402 CB ASP A 27 -1.633 -15.941 -11.924 1.00 1.26 C ATOM 403 CG ASP A 27 -2.150 -16.557 -13.225 1.00 1.48 C ATOM 404 OD1 ASP A 27 -1.711 -17.686 -13.532 1.00 2.14 O ATOM 405 OD2 ASP A 27 -2.973 -15.885 -13.884 1.00 2.21 O ATOM 0 H ASP A 27 -0.619 -14.634 -10.073 1.00 1.08 H new ATOM 0 HA ASP A 27 0.500 -16.160 -12.109 1.00 1.19 H new ATOM 0 HB2 ASP A 27 -1.649 -16.705 -11.147 1.00 1.26 H new ATOM 0 HB3 ASP A 27 -2.322 -15.156 -11.613 1.00 1.26 H new ATOM 410 N LYS A 28 -0.657 -13.192 -12.980 1.00 1.24 N ATOM 411 CA LYS A 28 -0.784 -12.227 -14.059 1.00 1.30 C ATOM 412 C LYS A 28 0.493 -11.389 -14.141 1.00 1.32 C ATOM 413 O LYS A 28 0.919 -11.005 -15.229 1.00 1.50 O ATOM 414 CB LYS A 28 -2.056 -11.395 -13.885 1.00 1.27 C ATOM 415 CG LYS A 28 -3.291 -12.183 -14.326 1.00 1.61 C ATOM 416 CD LYS A 28 -4.171 -12.539 -13.126 1.00 2.27 C ATOM 417 CE LYS A 28 -5.454 -13.241 -13.576 1.00 2.61 C ATOM 418 NZ LYS A 28 -5.143 -14.567 -14.154 1.00 3.61 N ATOM 0 H LYS A 28 -0.967 -12.855 -12.068 1.00 1.24 H new ATOM 0 HA LYS A 28 -0.892 -12.737 -15.016 1.00 1.30 H new ATOM 0 HB2 LYS A 28 -2.162 -11.100 -12.841 1.00 1.27 H new ATOM 0 HB3 LYS A 28 -1.978 -10.478 -14.469 1.00 1.27 H new ATOM 0 HG2 LYS A 28 -3.866 -11.595 -15.041 1.00 1.61 H new ATOM 0 HG3 LYS A 28 -2.982 -13.094 -14.838 1.00 1.61 H new ATOM 0 HD2 LYS A 28 -3.618 -13.186 -12.444 1.00 2.27 H new ATOM 0 HD3 LYS A 28 -4.422 -11.634 -12.573 1.00 2.27 H new ATOM 0 HE2 LYS A 28 -6.129 -13.357 -12.728 1.00 2.61 H new ATOM 0 HE3 LYS A 28 -5.971 -12.628 -14.314 1.00 2.61 H new ATOM 0 HZ1 LYS A 28 -5.165 -14.507 -15.192 1.00 3.61 H new ATOM 0 HZ2 LYS A 28 -4.196 -14.867 -13.845 1.00 3.61 H new ATOM 0 HZ3 LYS A 28 -5.848 -15.260 -13.832 1.00 3.61 H new ATOM 432 N VAL A 29 1.069 -11.130 -12.976 1.00 1.23 N ATOM 433 CA VAL A 29 2.240 -10.274 -12.894 1.00 1.34 C ATOM 434 C VAL A 29 3.264 -10.907 -11.949 1.00 1.44 C ATOM 435 O VAL A 29 3.484 -10.412 -10.845 1.00 1.34 O ATOM 436 CB VAL A 29 1.828 -8.863 -12.470 1.00 1.26 C ATOM 437 CG1 VAL A 29 1.349 -8.047 -13.672 1.00 1.30 C ATOM 438 CG2 VAL A 29 0.759 -8.909 -11.377 1.00 1.17 C ATOM 0 H VAL A 29 0.746 -11.498 -12.081 1.00 1.23 H new ATOM 0 HA VAL A 29 2.714 -10.180 -13.871 1.00 1.34 H new ATOM 0 HB VAL A 29 2.707 -8.367 -12.058 1.00 1.26 H new ATOM 0 HG11 VAL A 29 1.062 -7.048 -13.343 1.00 1.30 H new ATOM 0 HG12 VAL A 29 2.153 -7.971 -14.404 1.00 1.30 H new ATOM 0 HG13 VAL A 29 0.490 -8.540 -14.127 1.00 1.30 H new ATOM 0 HG21 VAL A 29 0.484 -7.893 -11.094 1.00 1.17 H new ATOM 0 HG22 VAL A 29 -0.121 -9.432 -11.751 1.00 1.17 H new ATOM 0 HG23 VAL A 29 1.151 -9.435 -10.506 1.00 1.17 H new ATOM 448 N PRO A 30 3.878 -12.021 -12.430 1.00 1.74 N ATOM 449 CA PRO A 30 4.907 -12.700 -11.661 1.00 1.92 C ATOM 450 C PRO A 30 6.222 -11.918 -11.694 1.00 2.25 C ATOM 451 O PRO A 30 7.232 -12.418 -12.186 1.00 3.62 O ATOM 452 CB PRO A 30 5.020 -14.080 -12.288 1.00 2.22 C ATOM 453 CG PRO A 30 4.390 -13.965 -13.666 1.00 2.34 C ATOM 454 CD PRO A 30 3.611 -12.661 -13.715 1.00 2.00 C ATOM 0 HA PRO A 30 4.659 -12.777 -10.602 1.00 1.92 H new ATOM 0 HB2 PRO A 30 6.062 -14.392 -12.360 1.00 2.22 H new ATOM 0 HB3 PRO A 30 4.504 -14.827 -11.684 1.00 2.22 H new ATOM 0 HG2 PRO A 30 5.158 -13.980 -14.439 1.00 2.34 H new ATOM 0 HG3 PRO A 30 3.730 -14.811 -13.856 1.00 2.34 H new ATOM 0 HD2 PRO A 30 3.939 -12.035 -14.545 1.00 2.00 H new ATOM 0 HD3 PRO A 30 2.545 -12.842 -13.854 1.00 2.00 H new ATOM 462 N LYS A 31 6.166 -10.706 -11.163 1.00 1.64 N ATOM 463 CA LYS A 31 7.327 -9.832 -11.168 1.00 1.72 C ATOM 464 C LYS A 31 7.133 -8.727 -10.129 1.00 1.54 C ATOM 465 O LYS A 31 7.982 -8.528 -9.262 1.00 1.66 O ATOM 466 CB LYS A 31 7.597 -9.309 -12.580 1.00 1.91 C ATOM 467 CG LYS A 31 8.971 -9.761 -13.079 1.00 2.81 C ATOM 468 CD LYS A 31 10.089 -8.959 -12.409 1.00 3.02 C ATOM 469 CE LYS A 31 11.454 -9.601 -12.665 1.00 4.12 C ATOM 470 NZ LYS A 31 11.789 -9.550 -14.105 1.00 4.57 N ATOM 0 H LYS A 31 5.335 -10.308 -10.726 1.00 1.64 H new ATOM 0 HA LYS A 31 8.222 -10.385 -10.881 1.00 1.72 H new ATOM 0 HB2 LYS A 31 6.823 -9.668 -13.259 1.00 1.91 H new ATOM 0 HB3 LYS A 31 7.545 -8.220 -12.585 1.00 1.91 H new ATOM 0 HG2 LYS A 31 9.106 -10.823 -12.872 1.00 2.81 H new ATOM 0 HG3 LYS A 31 9.028 -9.637 -14.160 1.00 2.81 H new ATOM 0 HD2 LYS A 31 10.087 -7.937 -12.789 1.00 3.02 H new ATOM 0 HD3 LYS A 31 9.906 -8.900 -11.336 1.00 3.02 H new ATOM 0 HE2 LYS A 31 12.220 -9.082 -12.089 1.00 4.12 H new ATOM 0 HE3 LYS A 31 11.445 -10.636 -12.324 1.00 4.12 H new ATOM 0 HZ1 LYS A 31 12.765 -9.881 -14.246 1.00 4.57 H new ATOM 0 HZ2 LYS A 31 11.136 -10.162 -14.635 1.00 4.57 H new ATOM 0 HZ3 LYS A 31 11.702 -8.572 -14.447 1.00 4.57 H new ATOM 484 N THR A 32 6.009 -8.035 -10.250 1.00 1.33 N ATOM 485 CA THR A 32 5.753 -6.872 -9.419 1.00 1.18 C ATOM 486 C THR A 32 5.102 -7.292 -8.099 1.00 0.92 C ATOM 487 O THR A 32 5.038 -6.505 -7.156 1.00 0.97 O ATOM 488 CB THR A 32 4.905 -5.889 -10.229 1.00 1.17 C ATOM 489 OG1 THR A 32 5.633 -5.720 -11.442 1.00 1.47 O ATOM 490 CG2 THR A 32 4.880 -4.489 -9.611 1.00 1.31 C ATOM 0 H THR A 32 5.265 -8.258 -10.912 1.00 1.33 H new ATOM 0 HA THR A 32 6.681 -6.372 -9.143 1.00 1.18 H new ATOM 0 HB THR A 32 3.886 -6.269 -10.308 1.00 1.17 H new ATOM 0 HG1 THR A 32 6.205 -4.927 -11.373 1.00 1.47 H new ATOM 0 HG21 THR A 32 4.265 -3.831 -10.225 1.00 1.31 H new ATOM 0 HG22 THR A 32 4.463 -4.543 -8.606 1.00 1.31 H new ATOM 0 HG23 THR A 32 5.895 -4.095 -9.562 1.00 1.31 H new ATOM 498 N ALA A 33 4.634 -8.531 -8.076 1.00 0.88 N ATOM 499 CA ALA A 33 4.098 -9.106 -6.854 1.00 0.79 C ATOM 500 C ALA A 33 5.237 -9.323 -5.856 1.00 0.82 C ATOM 501 O ALA A 33 5.050 -9.163 -4.650 1.00 0.91 O ATOM 502 CB ALA A 33 3.355 -10.402 -7.182 1.00 0.83 C ATOM 0 H ALA A 33 4.615 -9.153 -8.884 1.00 0.88 H new ATOM 0 HA ALA A 33 3.380 -8.427 -6.393 1.00 0.79 H new ATOM 0 HB1 ALA A 33 2.953 -10.833 -6.265 1.00 0.83 H new ATOM 0 HB2 ALA A 33 2.538 -10.189 -7.871 1.00 0.83 H new ATOM 0 HB3 ALA A 33 4.044 -11.109 -7.644 1.00 0.83 H new ATOM 508 N GLU A 34 6.392 -9.685 -6.394 1.00 0.89 N ATOM 509 CA GLU A 34 7.552 -9.960 -5.563 1.00 1.05 C ATOM 510 C GLU A 34 7.997 -8.689 -4.836 1.00 0.92 C ATOM 511 O GLU A 34 8.400 -8.743 -3.675 1.00 0.95 O ATOM 512 CB GLU A 34 8.695 -10.545 -6.394 1.00 1.36 C ATOM 513 CG GLU A 34 9.884 -10.917 -5.505 1.00 1.57 C ATOM 514 CD GLU A 34 10.589 -12.171 -6.028 1.00 2.01 C ATOM 515 OE1 GLU A 34 11.467 -12.005 -6.902 1.00 2.60 O ATOM 516 OE2 GLU A 34 10.233 -13.266 -5.542 1.00 3.06 O ATOM 0 H GLU A 34 6.550 -9.794 -7.396 1.00 0.89 H new ATOM 0 HA GLU A 34 7.272 -10.703 -4.816 1.00 1.05 H new ATOM 0 HB2 GLU A 34 8.346 -11.428 -6.929 1.00 1.36 H new ATOM 0 HB3 GLU A 34 9.011 -9.821 -7.146 1.00 1.36 H new ATOM 0 HG2 GLU A 34 10.590 -10.087 -5.469 1.00 1.57 H new ATOM 0 HG3 GLU A 34 9.540 -11.087 -4.485 1.00 1.57 H new ATOM 523 N ASN A 35 7.909 -7.576 -5.549 1.00 0.94 N ATOM 524 CA ASN A 35 8.262 -6.289 -4.975 1.00 1.03 C ATOM 525 C ASN A 35 7.502 -6.097 -3.661 1.00 1.08 C ATOM 526 O ASN A 35 8.091 -5.720 -2.648 1.00 1.57 O ATOM 527 CB ASN A 35 7.880 -5.143 -5.914 1.00 1.28 C ATOM 528 CG ASN A 35 7.889 -3.803 -5.175 1.00 2.16 C ATOM 529 OD1 ASN A 35 6.860 -3.247 -4.831 1.00 3.79 O ATOM 530 ND2 ASN A 35 9.107 -3.316 -4.953 1.00 2.49 N ATOM 0 H ASN A 35 7.598 -7.539 -6.520 1.00 0.94 H new ATOM 0 HA ASN A 35 9.340 -6.277 -4.812 1.00 1.03 H new ATOM 0 HB2 ASN A 35 8.578 -5.106 -6.751 1.00 1.28 H new ATOM 0 HB3 ASN A 35 6.890 -5.325 -6.332 1.00 1.28 H new ATOM 0 HD21 ASN A 35 9.220 -2.426 -4.468 1.00 2.49 H new ATOM 0 HD22 ASN A 35 9.928 -3.833 -5.268 1.00 2.49 H new ATOM 537 N PHE A 36 6.206 -6.364 -3.719 1.00 1.06 N ATOM 538 CA PHE A 36 5.364 -6.250 -2.540 1.00 1.10 C ATOM 539 C PHE A 36 5.766 -7.276 -1.478 1.00 0.89 C ATOM 540 O PHE A 36 5.840 -6.953 -0.294 1.00 0.99 O ATOM 541 CB PHE A 36 3.928 -6.532 -2.986 1.00 1.23 C ATOM 542 CG PHE A 36 2.872 -6.208 -1.928 1.00 1.77 C ATOM 543 CD1 PHE A 36 2.699 -7.038 -0.864 1.00 2.87 C ATOM 544 CD2 PHE A 36 2.108 -5.090 -2.050 1.00 2.48 C ATOM 545 CE1 PHE A 36 1.719 -6.737 0.119 1.00 3.63 C ATOM 546 CE2 PHE A 36 1.128 -4.789 -1.067 1.00 3.10 C ATOM 547 CZ PHE A 36 0.954 -5.619 -0.004 1.00 3.37 C ATOM 0 H PHE A 36 5.718 -6.659 -4.565 1.00 1.06 H new ATOM 0 HA PHE A 36 5.467 -5.256 -2.105 1.00 1.10 H new ATOM 0 HB2 PHE A 36 3.717 -5.952 -3.884 1.00 1.23 H new ATOM 0 HB3 PHE A 36 3.843 -7.584 -3.259 1.00 1.23 H new ATOM 0 HD1 PHE A 36 3.307 -7.926 -0.767 1.00 2.87 H new ATOM 0 HD2 PHE A 36 2.246 -4.431 -2.894 1.00 2.48 H new ATOM 0 HE1 PHE A 36 1.581 -7.396 0.964 1.00 3.63 H new ATOM 0 HE2 PHE A 36 0.521 -3.901 -1.164 1.00 3.10 H new ATOM 0 HZ PHE A 36 0.208 -5.390 0.743 1.00 3.37 H new ATOM 557 N ARG A 37 6.017 -8.492 -1.941 1.00 0.75 N ATOM 558 CA ARG A 37 6.358 -9.580 -1.041 1.00 0.82 C ATOM 559 C ARG A 37 7.586 -9.212 -0.205 1.00 1.01 C ATOM 560 O ARG A 37 7.636 -9.498 0.990 1.00 1.24 O ATOM 561 CB ARG A 37 6.644 -10.868 -1.816 1.00 0.94 C ATOM 562 CG ARG A 37 6.887 -12.039 -0.862 1.00 1.47 C ATOM 563 CD ARG A 37 8.385 -12.279 -0.658 1.00 2.52 C ATOM 564 NE ARG A 37 8.710 -13.700 -0.915 1.00 3.25 N ATOM 565 CZ ARG A 37 9.080 -14.182 -2.109 1.00 3.84 C ATOM 566 NH1 ARG A 37 8.936 -13.430 -3.209 1.00 4.19 N ATOM 567 NH2 ARG A 37 9.594 -15.416 -2.203 1.00 5.02 N ATOM 0 H ARG A 37 5.991 -8.747 -2.928 1.00 0.75 H new ATOM 0 HA ARG A 37 5.504 -9.747 -0.385 1.00 0.82 H new ATOM 0 HB2 ARG A 37 5.804 -11.097 -2.471 1.00 0.94 H new ATOM 0 HB3 ARG A 37 7.517 -10.727 -2.454 1.00 0.94 H new ATOM 0 HG2 ARG A 37 6.414 -11.834 0.098 1.00 1.47 H new ATOM 0 HG3 ARG A 37 6.422 -12.940 -1.261 1.00 1.47 H new ATOM 0 HD2 ARG A 37 8.959 -11.639 -1.329 1.00 2.52 H new ATOM 0 HD3 ARG A 37 8.669 -12.011 0.359 1.00 2.52 H new ATOM 0 HE ARG A 37 8.648 -14.353 -0.134 1.00 3.25 H new ATOM 0 HH11 ARG A 37 8.545 -12.491 -3.137 1.00 4.19 H new ATOM 0 HH12 ARG A 37 9.218 -13.797 -4.118 1.00 4.19 H new ATOM 0 HH21 ARG A 37 9.703 -15.988 -1.366 1.00 5.02 H new ATOM 0 HH22 ARG A 37 9.876 -15.783 -3.112 1.00 5.02 H new ATOM 581 N ALA A 38 8.546 -8.583 -0.867 1.00 1.01 N ATOM 582 CA ALA A 38 9.823 -8.293 -0.238 1.00 1.22 C ATOM 583 C ALA A 38 9.657 -7.118 0.726 1.00 1.41 C ATOM 584 O ALA A 38 10.407 -6.992 1.693 1.00 1.75 O ATOM 585 CB ALA A 38 10.873 -8.018 -1.317 1.00 1.10 C ATOM 0 H ALA A 38 8.465 -8.266 -1.833 1.00 1.01 H new ATOM 0 HA ALA A 38 10.168 -9.149 0.342 1.00 1.22 H new ATOM 0 HB1 ALA A 38 11.831 -7.800 -0.845 1.00 1.10 H new ATOM 0 HB2 ALA A 38 10.975 -8.894 -1.958 1.00 1.10 H new ATOM 0 HB3 ALA A 38 10.562 -7.163 -1.918 1.00 1.10 H new ATOM 591 N LEU A 39 8.668 -6.286 0.431 1.00 1.34 N ATOM 592 CA LEU A 39 8.503 -5.034 1.149 1.00 1.65 C ATOM 593 C LEU A 39 7.870 -5.314 2.514 1.00 1.86 C ATOM 594 O LEU A 39 7.868 -4.451 3.390 1.00 2.44 O ATOM 595 CB LEU A 39 7.719 -4.030 0.302 1.00 1.71 C ATOM 596 CG LEU A 39 8.540 -3.209 -0.695 1.00 1.71 C ATOM 597 CD1 LEU A 39 8.730 -1.774 -0.198 1.00 1.48 C ATOM 598 CD2 LEU A 39 9.874 -3.891 -1.000 1.00 2.10 C ATOM 0 H LEU A 39 7.973 -6.455 -0.296 1.00 1.34 H new ATOM 0 HA LEU A 39 9.472 -4.571 1.335 1.00 1.65 H new ATOM 0 HB2 LEU A 39 6.950 -4.572 -0.249 1.00 1.71 H new ATOM 0 HB3 LEU A 39 7.205 -3.342 0.973 1.00 1.71 H new ATOM 0 HG LEU A 39 7.985 -3.155 -1.632 1.00 1.71 H new ATOM 0 HD11 LEU A 39 9.317 -1.212 -0.925 1.00 1.48 H new ATOM 0 HD12 LEU A 39 7.756 -1.300 -0.073 1.00 1.48 H new ATOM 0 HD13 LEU A 39 9.253 -1.786 0.758 1.00 1.48 H new ATOM 0 HD21 LEU A 39 10.437 -3.287 -1.711 1.00 2.10 H new ATOM 0 HD22 LEU A 39 10.447 -3.997 -0.079 1.00 2.10 H new ATOM 0 HD23 LEU A 39 9.689 -4.876 -1.428 1.00 2.10 H new ATOM 610 N SER A 40 7.348 -6.524 2.651 1.00 1.51 N ATOM 611 CA SER A 40 6.811 -6.967 3.927 1.00 1.73 C ATOM 612 C SER A 40 7.954 -7.284 4.893 1.00 2.25 C ATOM 613 O SER A 40 8.168 -6.561 5.865 1.00 3.00 O ATOM 614 CB SER A 40 5.911 -8.192 3.750 1.00 1.60 C ATOM 615 OG SER A 40 5.451 -8.700 4.999 1.00 2.80 O ATOM 0 H SER A 40 7.285 -7.211 1.900 1.00 1.51 H new ATOM 0 HA SER A 40 6.205 -6.161 4.342 1.00 1.73 H new ATOM 0 HB2 SER A 40 5.055 -7.927 3.129 1.00 1.60 H new ATOM 0 HB3 SER A 40 6.459 -8.972 3.221 1.00 1.60 H new ATOM 0 HG SER A 40 4.533 -9.029 4.900 1.00 2.80 H new ATOM 621 N THR A 41 8.658 -8.365 4.593 1.00 2.06 N ATOM 622 CA THR A 41 9.838 -8.727 5.361 1.00 2.58 C ATOM 623 C THR A 41 10.781 -7.530 5.487 1.00 3.29 C ATOM 624 O THR A 41 11.507 -7.408 6.472 1.00 4.39 O ATOM 625 CB THR A 41 10.484 -9.941 4.690 1.00 2.74 C ATOM 626 OG1 THR A 41 11.708 -10.118 5.397 1.00 3.73 O ATOM 627 CG2 THR A 41 10.922 -9.652 3.253 1.00 3.10 C ATOM 0 H THR A 41 8.434 -9.002 3.829 1.00 2.06 H new ATOM 0 HA THR A 41 9.576 -9.002 6.382 1.00 2.58 H new ATOM 0 HB THR A 41 9.781 -10.774 4.694 1.00 2.74 H new ATOM 0 HG1 THR A 41 12.191 -10.886 5.027 1.00 3.73 H new ATOM 0 HG21 THR A 41 11.374 -10.546 2.824 1.00 3.10 H new ATOM 0 HG22 THR A 41 10.055 -9.363 2.659 1.00 3.10 H new ATOM 0 HG23 THR A 41 11.650 -8.841 3.251 1.00 3.10 H new ATOM 635 N GLY A 42 10.739 -6.675 4.475 1.00 2.87 N ATOM 636 CA GLY A 42 11.382 -5.375 4.567 1.00 3.75 C ATOM 637 C GLY A 42 12.896 -5.523 4.736 1.00 3.89 C ATOM 638 O GLY A 42 13.519 -4.759 5.471 1.00 4.62 O ATOM 0 H GLY A 42 10.270 -6.857 3.588 1.00 2.87 H new ATOM 0 HA2 GLY A 42 11.168 -4.795 3.669 1.00 3.75 H new ATOM 0 HA3 GLY A 42 10.971 -4.821 5.411 1.00 3.75 H new ATOM 642 N GLU A 43 13.443 -6.511 4.043 1.00 3.68 N ATOM 643 CA GLU A 43 14.872 -6.542 3.784 1.00 4.25 C ATOM 644 C GLU A 43 15.212 -5.668 2.575 1.00 4.55 C ATOM 645 O GLU A 43 14.369 -4.911 2.095 1.00 6.04 O ATOM 646 CB GLU A 43 15.362 -7.976 3.579 1.00 4.44 C ATOM 647 CG GLU A 43 16.581 -8.271 4.456 1.00 5.47 C ATOM 648 CD GLU A 43 16.172 -8.459 5.918 1.00 6.53 C ATOM 649 OE1 GLU A 43 15.612 -9.536 6.216 1.00 6.47 O ATOM 650 OE2 GLU A 43 16.429 -7.522 6.705 1.00 7.90 O ATOM 0 H GLU A 43 12.922 -7.296 3.653 1.00 3.68 H new ATOM 0 HA GLU A 43 15.387 -6.139 4.656 1.00 4.25 H new ATOM 0 HB2 GLU A 43 14.561 -8.675 3.817 1.00 4.44 H new ATOM 0 HB3 GLU A 43 15.618 -8.130 2.531 1.00 4.44 H new ATOM 0 HG2 GLU A 43 17.083 -9.169 4.097 1.00 5.47 H new ATOM 0 HG3 GLU A 43 17.297 -7.453 4.377 1.00 5.47 H new ATOM 657 N LYS A 44 16.448 -5.802 2.117 1.00 3.67 N ATOM 658 CA LYS A 44 16.892 -5.076 0.939 1.00 3.87 C ATOM 659 C LYS A 44 16.982 -3.584 1.269 1.00 4.22 C ATOM 660 O LYS A 44 17.176 -2.759 0.379 1.00 4.91 O ATOM 661 CB LYS A 44 15.989 -5.387 -0.255 1.00 3.84 C ATOM 662 CG LYS A 44 15.786 -6.896 -0.410 1.00 3.21 C ATOM 663 CD LYS A 44 15.648 -7.282 -1.884 1.00 3.00 C ATOM 664 CE LYS A 44 16.912 -6.922 -2.666 1.00 2.35 C ATOM 665 NZ LYS A 44 18.119 -7.184 -1.850 1.00 3.58 N ATOM 0 H LYS A 44 17.156 -6.402 2.540 1.00 3.67 H new ATOM 0 HA LYS A 44 17.891 -5.400 0.646 1.00 3.87 H new ATOM 0 HB2 LYS A 44 15.024 -4.898 -0.123 1.00 3.84 H new ATOM 0 HB3 LYS A 44 16.430 -4.980 -1.165 1.00 3.84 H new ATOM 0 HG2 LYS A 44 16.629 -7.427 0.031 1.00 3.21 H new ATOM 0 HG3 LYS A 44 14.894 -7.205 0.135 1.00 3.21 H new ATOM 0 HD2 LYS A 44 15.457 -8.352 -1.967 1.00 3.00 H new ATOM 0 HD3 LYS A 44 14.789 -6.770 -2.319 1.00 3.00 H new ATOM 0 HE2 LYS A 44 16.955 -7.504 -3.587 1.00 2.35 H new ATOM 0 HE3 LYS A 44 16.882 -5.871 -2.954 1.00 2.35 H new ATOM 0 HZ1 LYS A 44 18.948 -7.265 -2.473 1.00 3.58 H new ATOM 0 HZ2 LYS A 44 18.263 -6.400 -1.182 1.00 3.58 H new ATOM 0 HZ3 LYS A 44 17.995 -8.071 -1.321 1.00 3.58 H new ATOM 679 N GLY A 45 16.838 -3.285 2.552 1.00 4.11 N ATOM 680 CA GLY A 45 17.121 -1.948 3.045 1.00 4.68 C ATOM 681 C GLY A 45 15.877 -1.060 2.966 1.00 4.76 C ATOM 682 O GLY A 45 15.984 0.148 2.760 1.00 5.94 O ATOM 0 H GLY A 45 16.529 -3.946 3.265 1.00 4.11 H new ATOM 0 HA2 GLY A 45 17.468 -2.003 4.077 1.00 4.68 H new ATOM 0 HA3 GLY A 45 17.927 -1.504 2.461 1.00 4.68 H new ATOM 686 N PHE A 46 14.725 -1.694 3.134 1.00 3.82 N ATOM 687 CA PHE A 46 13.473 -0.961 3.214 1.00 4.04 C ATOM 688 C PHE A 46 12.291 -1.914 3.402 1.00 3.13 C ATOM 689 O PHE A 46 12.450 -3.131 3.311 1.00 2.52 O ATOM 690 CB PHE A 46 13.306 -0.215 1.889 1.00 4.29 C ATOM 691 CG PHE A 46 13.756 -1.013 0.664 1.00 3.38 C ATOM 692 CD1 PHE A 46 13.059 -2.115 0.277 1.00 3.54 C ATOM 693 CD2 PHE A 46 14.853 -0.622 -0.038 1.00 3.70 C ATOM 694 CE1 PHE A 46 13.476 -2.856 -0.860 1.00 3.44 C ATOM 695 CE2 PHE A 46 15.271 -1.363 -1.175 1.00 3.45 C ATOM 696 CZ PHE A 46 14.574 -2.465 -1.562 1.00 3.00 C ATOM 0 H PHE A 46 14.633 -2.706 3.217 1.00 3.82 H new ATOM 0 HA PHE A 46 13.494 -0.280 4.064 1.00 4.04 H new ATOM 0 HB2 PHE A 46 12.258 0.058 1.767 1.00 4.29 H new ATOM 0 HB3 PHE A 46 13.874 0.714 1.933 1.00 4.29 H new ATOM 0 HD1 PHE A 46 12.188 -2.426 0.835 1.00 3.54 H new ATOM 0 HD2 PHE A 46 15.407 0.253 0.269 1.00 3.70 H new ATOM 0 HE1 PHE A 46 12.922 -3.730 -1.168 1.00 3.44 H new ATOM 0 HE2 PHE A 46 16.142 -1.052 -1.732 1.00 3.45 H new ATOM 0 HZ PHE A 46 14.892 -3.029 -2.426 1.00 3.00 H new ATOM 706 N GLY A 47 11.133 -1.326 3.660 1.00 3.30 N ATOM 707 CA GLY A 47 9.924 -2.108 3.861 1.00 2.61 C ATOM 708 C GLY A 47 8.912 -1.342 4.715 1.00 2.80 C ATOM 709 O GLY A 47 9.045 -0.135 4.910 1.00 4.03 O ATOM 0 H GLY A 47 11.005 -0.317 3.735 1.00 3.30 H new ATOM 0 HA2 GLY A 47 9.480 -2.352 2.896 1.00 2.61 H new ATOM 0 HA3 GLY A 47 10.173 -3.052 4.345 1.00 2.61 H new ATOM 713 N TYR A 48 7.921 -2.076 5.201 1.00 1.91 N ATOM 714 CA TYR A 48 6.829 -1.464 5.939 1.00 2.15 C ATOM 715 C TYR A 48 7.113 -1.470 7.443 1.00 1.92 C ATOM 716 O TYR A 48 6.323 -0.951 8.229 1.00 2.76 O ATOM 717 CB TYR A 48 5.597 -2.327 5.661 1.00 2.39 C ATOM 718 CG TYR A 48 4.618 -1.709 4.661 1.00 3.68 C ATOM 719 CD1 TYR A 48 5.093 -1.081 3.528 1.00 4.37 C ATOM 720 CD2 TYR A 48 3.259 -1.780 4.892 1.00 4.93 C ATOM 721 CE1 TYR A 48 4.172 -0.500 2.586 1.00 5.70 C ATOM 722 CE2 TYR A 48 2.337 -1.199 3.950 1.00 6.28 C ATOM 723 CZ TYR A 48 2.839 -0.587 2.844 1.00 6.40 C ATOM 724 OH TYR A 48 1.969 -0.038 1.955 1.00 7.78 O ATOM 0 H TYR A 48 7.852 -3.088 5.098 1.00 1.91 H new ATOM 0 HA TYR A 48 6.691 -0.427 5.632 1.00 2.15 H new ATOM 0 HB2 TYR A 48 5.923 -3.296 5.284 1.00 2.39 H new ATOM 0 HB3 TYR A 48 5.075 -2.510 6.600 1.00 2.39 H new ATOM 0 HD1 TYR A 48 6.156 -1.025 3.348 1.00 4.37 H new ATOM 0 HD2 TYR A 48 2.887 -2.271 5.779 1.00 4.93 H new ATOM 0 HE1 TYR A 48 4.531 -0.006 1.695 1.00 5.70 H new ATOM 0 HE2 TYR A 48 1.271 -1.248 4.118 1.00 6.28 H new ATOM 0 HH TYR A 48 2.352 0.786 1.589 1.00 7.78 H new ATOM 734 N LYS A 49 8.243 -2.064 7.797 1.00 1.35 N ATOM 735 CA LYS A 49 8.643 -2.140 9.192 1.00 1.29 C ATOM 736 C LYS A 49 9.350 -0.842 9.587 1.00 1.45 C ATOM 737 O LYS A 49 10.482 -0.869 10.066 1.00 1.45 O ATOM 738 CB LYS A 49 9.480 -3.397 9.441 1.00 1.40 C ATOM 739 CG LYS A 49 8.973 -4.160 10.666 1.00 1.79 C ATOM 740 CD LYS A 49 9.267 -3.387 11.954 1.00 2.13 C ATOM 741 CE LYS A 49 8.095 -3.486 12.932 1.00 2.88 C ATOM 742 NZ LYS A 49 8.057 -4.824 13.563 1.00 2.71 N ATOM 0 H LYS A 49 8.894 -2.497 7.142 1.00 1.35 H new ATOM 0 HA LYS A 49 7.768 -2.235 9.835 1.00 1.29 H new ATOM 0 HB2 LYS A 49 9.442 -4.043 8.564 1.00 1.40 H new ATOM 0 HB3 LYS A 49 10.524 -3.120 9.587 1.00 1.40 H new ATOM 0 HG2 LYS A 49 7.900 -4.328 10.576 1.00 1.79 H new ATOM 0 HG3 LYS A 49 9.447 -5.141 10.710 1.00 1.79 H new ATOM 0 HD2 LYS A 49 10.169 -3.781 12.421 1.00 2.13 H new ATOM 0 HD3 LYS A 49 9.461 -2.341 11.718 1.00 2.13 H new ATOM 0 HE2 LYS A 49 8.189 -2.718 13.700 1.00 2.88 H new ATOM 0 HE3 LYS A 49 7.159 -3.299 12.407 1.00 2.88 H new ATOM 0 HZ1 LYS A 49 7.097 -5.015 13.915 1.00 2.71 H new ATOM 0 HZ2 LYS A 49 8.318 -5.546 12.862 1.00 2.71 H new ATOM 0 HZ3 LYS A 49 8.729 -4.853 14.356 1.00 2.71 H new ATOM 756 N GLY A 50 8.652 0.263 9.372 1.00 1.92 N ATOM 757 CA GLY A 50 9.148 1.558 9.806 1.00 2.24 C ATOM 758 C GLY A 50 8.252 2.152 10.895 1.00 1.81 C ATOM 759 O GLY A 50 8.516 3.246 11.392 1.00 2.67 O ATOM 0 H GLY A 50 7.747 0.288 8.903 1.00 1.92 H new ATOM 0 HA2 GLY A 50 10.165 1.454 10.184 1.00 2.24 H new ATOM 0 HA3 GLY A 50 9.192 2.238 8.955 1.00 2.24 H new ATOM 763 N SER A 51 7.212 1.404 11.234 1.00 1.88 N ATOM 764 CA SER A 51 6.283 1.837 12.264 1.00 3.23 C ATOM 765 C SER A 51 5.931 3.312 12.065 1.00 2.70 C ATOM 766 O SER A 51 6.383 4.170 12.823 1.00 3.91 O ATOM 767 CB SER A 51 6.867 1.614 13.660 1.00 5.40 C ATOM 768 OG SER A 51 8.283 1.777 13.679 1.00 5.99 O ATOM 0 H SER A 51 6.992 0.501 10.814 1.00 1.88 H new ATOM 0 HA SER A 51 5.375 1.240 12.179 1.00 3.23 H new ATOM 0 HB2 SER A 51 6.412 2.315 14.360 1.00 5.40 H new ATOM 0 HB3 SER A 51 6.613 0.611 14.003 1.00 5.40 H new ATOM 0 HG SER A 51 8.519 2.633 13.265 1.00 5.99 H new ATOM 774 N CYS A 52 5.127 3.563 11.042 1.00 1.94 N ATOM 775 CA CYS A 52 4.698 4.919 10.743 1.00 1.99 C ATOM 776 C CYS A 52 3.627 4.854 9.652 1.00 1.62 C ATOM 777 O CYS A 52 3.628 3.939 8.830 1.00 2.33 O ATOM 778 CB CYS A 52 5.875 5.808 10.334 1.00 2.97 C ATOM 779 SG CYS A 52 5.332 7.551 10.218 1.00 4.04 S ATOM 0 H CYS A 52 4.762 2.851 10.410 1.00 1.94 H new ATOM 0 HA CYS A 52 4.277 5.376 11.639 1.00 1.99 H new ATOM 0 HB2 CYS A 52 6.680 5.717 11.063 1.00 2.97 H new ATOM 0 HB3 CYS A 52 6.274 5.478 9.375 1.00 2.97 H new ATOM 0 HG CYS A 52 6.339 8.297 9.872 1.00 4.04 H new ATOM 785 N PHE A 53 2.739 5.837 9.680 1.00 1.70 N ATOM 786 CA PHE A 53 1.752 5.983 8.624 1.00 1.63 C ATOM 787 C PHE A 53 1.795 7.390 8.025 1.00 1.49 C ATOM 788 O PHE A 53 2.134 8.352 8.713 1.00 2.20 O ATOM 789 CB PHE A 53 0.379 5.755 9.261 1.00 2.43 C ATOM 790 CG PHE A 53 -0.163 4.336 9.078 1.00 3.63 C ATOM 791 CD1 PHE A 53 0.427 3.294 9.722 1.00 4.78 C ATOM 792 CD2 PHE A 53 -1.236 4.117 8.270 1.00 4.54 C ATOM 793 CE1 PHE A 53 -0.077 1.977 9.552 1.00 6.32 C ATOM 794 CE2 PHE A 53 -1.739 2.800 8.100 1.00 6.25 C ATOM 795 CZ PHE A 53 -1.149 1.758 8.745 1.00 6.93 C ATOM 0 H PHE A 53 2.683 6.540 10.417 1.00 1.70 H new ATOM 0 HA PHE A 53 1.954 5.270 7.825 1.00 1.63 H new ATOM 0 HB2 PHE A 53 0.443 5.974 10.327 1.00 2.43 H new ATOM 0 HB3 PHE A 53 -0.331 6.462 8.833 1.00 2.43 H new ATOM 0 HD1 PHE A 53 1.279 3.468 10.363 1.00 4.78 H new ATOM 0 HD2 PHE A 53 -1.705 4.945 7.758 1.00 4.54 H new ATOM 0 HE1 PHE A 53 0.391 1.149 10.064 1.00 6.32 H new ATOM 0 HE2 PHE A 53 -2.590 2.626 7.458 1.00 6.25 H new ATOM 0 HZ PHE A 53 -1.532 0.757 8.616 1.00 6.93 H new ATOM 805 N HIS A 54 1.446 7.466 6.749 1.00 1.27 N ATOM 806 CA HIS A 54 1.423 8.742 6.054 1.00 1.42 C ATOM 807 C HIS A 54 0.144 9.500 6.417 1.00 1.58 C ATOM 808 O HIS A 54 0.201 10.546 7.063 1.00 2.22 O ATOM 809 CB HIS A 54 1.585 8.543 4.546 1.00 1.93 C ATOM 810 CG HIS A 54 2.689 7.583 4.169 1.00 1.88 C ATOM 811 ND1 HIS A 54 2.715 6.909 2.961 1.00 1.88 N ATOM 812 CD2 HIS A 54 3.804 7.194 4.852 1.00 2.95 C ATOM 813 CE1 HIS A 54 3.801 6.150 2.929 1.00 2.57 C ATOM 814 NE2 HIS A 54 4.474 6.328 4.102 1.00 3.45 N ATOM 0 H HIS A 54 1.177 6.665 6.178 1.00 1.27 H new ATOM 0 HA HIS A 54 2.269 9.350 6.374 1.00 1.42 H new ATOM 0 HB2 HIS A 54 0.644 8.178 4.135 1.00 1.93 H new ATOM 0 HB3 HIS A 54 1.783 9.509 4.081 1.00 1.93 H new ATOM 0 HD2 HIS A 54 4.092 7.533 5.836 1.00 2.95 H new ATOM 0 HE1 HIS A 54 4.100 5.504 2.117 1.00 2.57 H new ATOM 0 HE2 HIS A 54 5.348 5.871 4.360 1.00 3.45 H new ATOM 822 N ARG A 55 -0.978 8.943 5.987 1.00 1.33 N ATOM 823 CA ARG A 55 -2.260 9.603 6.173 1.00 1.65 C ATOM 824 C ARG A 55 -3.404 8.626 5.895 1.00 1.32 C ATOM 825 O ARG A 55 -3.227 7.645 5.175 1.00 1.37 O ATOM 826 CB ARG A 55 -2.395 10.813 5.247 1.00 2.16 C ATOM 827 CG ARG A 55 -2.070 10.437 3.801 1.00 1.52 C ATOM 828 CD ARG A 55 -2.664 11.453 2.823 1.00 1.62 C ATOM 829 NE ARG A 55 -2.432 11.010 1.430 1.00 2.23 N ATOM 830 CZ ARG A 55 -3.101 11.484 0.370 1.00 3.42 C ATOM 831 NH1 ARG A 55 -3.857 12.584 0.492 1.00 4.04 N ATOM 832 NH2 ARG A 55 -3.015 10.858 -0.812 1.00 4.91 N ATOM 0 H ARG A 55 -1.027 8.042 5.510 1.00 1.33 H new ATOM 0 HA ARG A 55 -2.312 9.944 7.207 1.00 1.65 H new ATOM 0 HB2 ARG A 55 -3.409 11.208 5.304 1.00 2.16 H new ATOM 0 HB3 ARG A 55 -1.725 11.606 5.579 1.00 2.16 H new ATOM 0 HG2 ARG A 55 -0.989 10.388 3.668 1.00 1.52 H new ATOM 0 HG3 ARG A 55 -2.463 9.444 3.583 1.00 1.52 H new ATOM 0 HD2 ARG A 55 -3.733 11.563 3.005 1.00 1.62 H new ATOM 0 HD3 ARG A 55 -2.211 12.431 2.982 1.00 1.62 H new ATOM 0 HE ARG A 55 -1.718 10.300 1.267 1.00 2.23 H new ATOM 0 HH11 ARG A 55 -3.923 13.060 1.392 1.00 4.04 H new ATOM 0 HH12 ARG A 55 -4.366 12.945 -0.315 1.00 4.04 H new ATOM 0 HH21 ARG A 55 -2.440 10.021 -0.905 1.00 4.91 H new ATOM 0 HH22 ARG A 55 -3.524 11.219 -1.619 1.00 4.91 H new ATOM 846 N ILE A 56 -4.554 8.929 6.480 1.00 1.21 N ATOM 847 CA ILE A 56 -5.732 8.102 6.288 1.00 0.97 C ATOM 848 C ILE A 56 -6.947 9.000 6.044 1.00 0.98 C ATOM 849 O ILE A 56 -7.341 9.768 6.920 1.00 1.37 O ATOM 850 CB ILE A 56 -5.907 7.137 7.463 1.00 1.09 C ATOM 851 CG1 ILE A 56 -4.659 6.273 7.653 1.00 1.06 C ATOM 852 CG2 ILE A 56 -7.170 6.290 7.294 1.00 1.11 C ATOM 853 CD1 ILE A 56 -4.862 5.258 8.779 1.00 1.23 C ATOM 0 H ILE A 56 -4.694 9.736 7.087 1.00 1.21 H new ATOM 0 HA ILE A 56 -5.616 7.475 5.404 1.00 0.97 H new ATOM 0 HB ILE A 56 -6.033 7.725 8.372 1.00 1.09 H new ATOM 0 HG12 ILE A 56 -4.429 5.750 6.724 1.00 1.06 H new ATOM 0 HG13 ILE A 56 -3.803 6.909 7.881 1.00 1.06 H new ATOM 0 HG21 ILE A 56 -7.270 5.613 8.142 1.00 1.11 H new ATOM 0 HG22 ILE A 56 -8.042 6.942 7.245 1.00 1.11 H new ATOM 0 HG23 ILE A 56 -7.099 5.710 6.374 1.00 1.11 H new ATOM 0 HD11 ILE A 56 -3.960 4.656 8.894 1.00 1.23 H new ATOM 0 HD12 ILE A 56 -5.068 5.785 9.711 1.00 1.23 H new ATOM 0 HD13 ILE A 56 -5.703 4.609 8.536 1.00 1.23 H new ATOM 865 N ILE A 57 -7.506 8.874 4.849 1.00 0.65 N ATOM 866 CA ILE A 57 -8.718 9.599 4.510 1.00 0.66 C ATOM 867 C ILE A 57 -9.908 8.638 4.542 1.00 0.65 C ATOM 868 O ILE A 57 -9.872 7.578 3.918 1.00 0.62 O ATOM 869 CB ILE A 57 -8.551 10.326 3.174 1.00 0.66 C ATOM 870 CG1 ILE A 57 -7.506 11.438 3.282 1.00 0.78 C ATOM 871 CG2 ILE A 57 -9.895 10.851 2.664 1.00 0.70 C ATOM 872 CD1 ILE A 57 -6.953 11.806 1.904 1.00 0.83 C ATOM 0 H ILE A 57 -7.141 8.280 4.104 1.00 0.65 H new ATOM 0 HA ILE A 57 -8.916 10.377 5.248 1.00 0.66 H new ATOM 0 HB ILE A 57 -8.185 9.610 2.439 1.00 0.66 H new ATOM 0 HG12 ILE A 57 -7.952 12.318 3.745 1.00 0.78 H new ATOM 0 HG13 ILE A 57 -6.691 11.115 3.930 1.00 0.78 H new ATOM 0 HG21 ILE A 57 -9.748 11.364 1.713 1.00 0.70 H new ATOM 0 HG22 ILE A 57 -10.582 10.017 2.524 1.00 0.70 H new ATOM 0 HG23 ILE A 57 -10.313 11.547 3.391 1.00 0.70 H new ATOM 0 HD11 ILE A 57 -6.212 12.599 2.009 1.00 0.83 H new ATOM 0 HD12 ILE A 57 -6.486 10.930 1.454 1.00 0.83 H new ATOM 0 HD13 ILE A 57 -7.766 12.152 1.266 1.00 0.83 H new ATOM 884 N PRO A 58 -10.962 9.052 5.295 1.00 0.73 N ATOM 885 CA PRO A 58 -12.145 8.223 5.448 1.00 0.77 C ATOM 886 C PRO A 58 -12.999 8.246 4.179 1.00 0.75 C ATOM 887 O PRO A 58 -13.612 9.263 3.858 1.00 0.93 O ATOM 888 CB PRO A 58 -12.867 8.788 6.660 1.00 0.91 C ATOM 889 CG PRO A 58 -12.314 10.189 6.860 1.00 0.95 C ATOM 890 CD PRO A 58 -11.055 10.317 6.019 1.00 0.84 C ATOM 0 HA PRO A 58 -11.904 7.171 5.599 1.00 0.77 H new ATOM 0 HB2 PRO A 58 -13.944 8.813 6.496 1.00 0.91 H new ATOM 0 HB3 PRO A 58 -12.693 8.170 7.541 1.00 0.91 H new ATOM 0 HG2 PRO A 58 -13.050 10.936 6.562 1.00 0.95 H new ATOM 0 HG3 PRO A 58 -12.090 10.364 7.912 1.00 0.95 H new ATOM 0 HD2 PRO A 58 -11.121 11.162 5.333 1.00 0.84 H new ATOM 0 HD3 PRO A 58 -10.177 10.481 6.643 1.00 0.84 H new ATOM 898 N GLY A 59 -13.011 7.113 3.492 1.00 0.67 N ATOM 899 CA GLY A 59 -13.837 6.967 2.305 1.00 0.72 C ATOM 900 C GLY A 59 -13.050 7.318 1.042 1.00 0.66 C ATOM 901 O GLY A 59 -13.542 8.049 0.183 1.00 0.73 O ATOM 0 H GLY A 59 -12.462 6.288 3.734 1.00 0.67 H new ATOM 0 HA2 GLY A 59 -14.203 5.943 2.236 1.00 0.72 H new ATOM 0 HA3 GLY A 59 -14.711 7.613 2.384 1.00 0.72 H new ATOM 905 N PHE A 60 -11.840 6.782 0.968 1.00 0.61 N ATOM 906 CA PHE A 60 -11.024 6.938 -0.224 1.00 0.58 C ATOM 907 C PHE A 60 -9.981 5.823 -0.324 1.00 0.57 C ATOM 908 O PHE A 60 -10.076 4.956 -1.191 1.00 0.61 O ATOM 909 CB PHE A 60 -10.305 8.283 -0.100 1.00 0.57 C ATOM 910 CG PHE A 60 -9.251 8.527 -1.182 1.00 0.61 C ATOM 911 CD1 PHE A 60 -9.368 7.922 -2.395 1.00 1.85 C ATOM 912 CD2 PHE A 60 -8.196 9.348 -0.931 1.00 1.94 C ATOM 913 CE1 PHE A 60 -8.390 8.148 -3.399 1.00 1.80 C ATOM 914 CE2 PHE A 60 -7.218 9.574 -1.936 1.00 2.07 C ATOM 915 CZ PHE A 60 -7.336 8.969 -3.148 1.00 0.85 C ATOM 0 H PHE A 60 -11.405 6.239 1.714 1.00 0.61 H new ATOM 0 HA PHE A 60 -11.652 6.892 -1.114 1.00 0.58 H new ATOM 0 HB2 PHE A 60 -11.044 9.083 -0.140 1.00 0.57 H new ATOM 0 HB3 PHE A 60 -9.827 8.339 0.878 1.00 0.57 H new ATOM 0 HD1 PHE A 60 -10.205 7.270 -2.594 1.00 1.85 H new ATOM 0 HD2 PHE A 60 -8.102 9.828 0.032 1.00 1.94 H new ATOM 0 HE1 PHE A 60 -8.483 7.668 -4.362 1.00 1.80 H new ATOM 0 HE2 PHE A 60 -6.381 10.226 -1.737 1.00 2.07 H new ATOM 0 HZ PHE A 60 -6.592 9.141 -3.912 1.00 0.85 H new ATOM 925 N MET A 61 -9.010 5.882 0.576 1.00 0.54 N ATOM 926 CA MET A 61 -7.886 4.964 0.524 1.00 0.57 C ATOM 927 C MET A 61 -7.214 4.842 1.893 1.00 0.60 C ATOM 928 O MET A 61 -7.466 5.650 2.786 1.00 0.67 O ATOM 929 CB MET A 61 -6.866 5.462 -0.502 1.00 0.62 C ATOM 930 CG MET A 61 -5.754 6.266 0.175 1.00 1.08 C ATOM 931 SD MET A 61 -6.441 7.710 0.967 1.00 1.51 S ATOM 932 CE MET A 61 -5.160 8.045 2.164 1.00 1.54 C ATOM 0 H MET A 61 -8.979 6.551 1.345 1.00 0.54 H new ATOM 0 HA MET A 61 -8.257 3.981 0.233 1.00 0.57 H new ATOM 0 HB2 MET A 61 -6.434 4.613 -1.032 1.00 0.62 H new ATOM 0 HB3 MET A 61 -7.366 6.082 -1.246 1.00 0.62 H new ATOM 0 HG2 MET A 61 -5.242 5.646 0.911 1.00 1.08 H new ATOM 0 HG3 MET A 61 -5.009 6.565 -0.563 1.00 1.08 H new ATOM 0 HE1 MET A 61 -5.430 8.924 2.750 1.00 1.54 H new ATOM 0 HE2 MET A 61 -5.048 7.187 2.827 1.00 1.54 H new ATOM 0 HE3 MET A 61 -4.218 8.229 1.647 1.00 1.54 H new ATOM 942 N CYS A 62 -6.372 3.826 2.016 1.00 0.71 N ATOM 943 CA CYS A 62 -5.677 3.577 3.267 1.00 0.95 C ATOM 944 C CYS A 62 -4.378 2.831 2.955 1.00 1.32 C ATOM 945 O CYS A 62 -4.389 1.834 2.234 1.00 1.52 O ATOM 946 CB CYS A 62 -6.553 2.807 4.258 1.00 1.20 C ATOM 947 SG CYS A 62 -5.601 2.431 5.775 1.00 2.24 S ATOM 0 H CYS A 62 -6.156 3.166 1.269 1.00 0.71 H new ATOM 0 HA CYS A 62 -5.443 4.526 3.751 1.00 0.95 H new ATOM 0 HB2 CYS A 62 -7.436 3.395 4.509 1.00 1.20 H new ATOM 0 HB3 CYS A 62 -6.906 1.882 3.802 1.00 1.20 H new ATOM 0 HG CYS A 62 -6.394 2.463 6.804 1.00 2.24 H new ATOM 953 N GLN A 63 -3.291 3.342 3.513 1.00 1.67 N ATOM 954 CA GLN A 63 -2.018 2.645 3.448 1.00 2.29 C ATOM 955 C GLN A 63 -0.982 3.348 4.327 1.00 1.87 C ATOM 956 O GLN A 63 -1.318 3.884 5.382 1.00 2.25 O ATOM 957 CB GLN A 63 -1.526 2.535 2.003 1.00 3.11 C ATOM 958 CG GLN A 63 -0.767 1.226 1.780 1.00 4.69 C ATOM 959 CD GLN A 63 -1.700 0.021 1.919 1.00 6.38 C ATOM 960 OE1 GLN A 63 -2.498 -0.283 1.047 1.00 7.29 O ATOM 961 NE2 GLN A 63 -1.556 -0.647 3.060 1.00 7.30 N ATOM 0 H GLN A 63 -3.265 4.231 4.013 1.00 1.67 H new ATOM 0 HA GLN A 63 -2.161 1.633 3.827 1.00 2.29 H new ATOM 0 HB2 GLN A 63 -2.375 2.588 1.321 1.00 3.11 H new ATOM 0 HB3 GLN A 63 -0.877 3.380 1.771 1.00 3.11 H new ATOM 0 HG2 GLN A 63 -0.315 1.228 0.788 1.00 4.69 H new ATOM 0 HG3 GLN A 63 0.047 1.146 2.501 1.00 4.69 H new ATOM 0 HE21 GLN A 63 -0.869 -0.339 3.748 1.00 7.30 H new ATOM 0 HE22 GLN A 63 -2.133 -1.467 3.247 1.00 7.30 H new ATOM 970 N GLY A 64 0.258 3.324 3.860 1.00 1.44 N ATOM 971 CA GLY A 64 1.354 3.909 4.615 1.00 1.58 C ATOM 972 C GLY A 64 2.530 2.935 4.716 1.00 1.99 C ATOM 973 O GLY A 64 2.361 1.731 4.534 1.00 2.96 O ATOM 0 H GLY A 64 0.528 2.909 2.968 1.00 1.44 H new ATOM 0 HA2 GLY A 64 1.681 4.831 4.134 1.00 1.58 H new ATOM 0 HA3 GLY A 64 1.011 4.175 5.615 1.00 1.58 H new ATOM 977 N GLY A 65 3.696 3.494 5.007 1.00 2.12 N ATOM 978 CA GLY A 65 4.891 2.686 5.180 1.00 2.80 C ATOM 979 C GLY A 65 5.887 2.930 4.045 1.00 2.07 C ATOM 980 O GLY A 65 5.744 3.886 3.284 1.00 2.10 O ATOM 0 H GLY A 65 3.838 4.497 5.127 1.00 2.12 H new ATOM 0 HA2 GLY A 65 5.359 2.922 6.136 1.00 2.80 H new ATOM 0 HA3 GLY A 65 4.620 1.631 5.210 1.00 2.80 H new ATOM 984 N ASP A 66 6.873 2.049 3.966 1.00 2.74 N ATOM 985 CA ASP A 66 7.837 2.100 2.880 1.00 3.19 C ATOM 986 C ASP A 66 8.684 3.366 3.015 1.00 2.21 C ATOM 987 O ASP A 66 8.724 3.981 4.080 1.00 2.21 O ATOM 988 CB ASP A 66 7.135 2.143 1.522 1.00 4.77 C ATOM 989 CG ASP A 66 7.902 1.481 0.376 1.00 6.39 C ATOM 990 OD1 ASP A 66 9.143 1.394 0.499 1.00 7.06 O ATOM 991 OD2 ASP A 66 7.231 1.077 -0.598 1.00 7.38 O ATOM 0 H ASP A 66 7.025 1.296 4.636 1.00 2.74 H new ATOM 0 HA ASP A 66 8.457 1.205 2.937 1.00 3.19 H new ATOM 0 HB2 ASP A 66 6.163 1.658 1.617 1.00 4.77 H new ATOM 0 HB3 ASP A 66 6.947 3.184 1.260 1.00 4.77 H new ATOM 1142 N SER A 77 13.446 0.190 -4.488 1.00 1.65 N ATOM 1143 CA SER A 77 12.848 -1.083 -4.850 1.00 1.51 C ATOM 1144 C SER A 77 13.939 -2.136 -5.054 1.00 1.66 C ATOM 1145 O SER A 77 15.125 -1.810 -5.071 1.00 2.09 O ATOM 1146 CB SER A 77 11.995 -0.951 -6.114 1.00 1.50 C ATOM 1147 OG SER A 77 12.636 -1.521 -7.252 1.00 2.41 O ATOM 0 HA SER A 77 12.196 -1.398 -4.035 1.00 1.51 H new ATOM 0 HB2 SER A 77 11.034 -1.441 -5.956 1.00 1.50 H new ATOM 0 HB3 SER A 77 11.788 0.102 -6.304 1.00 1.50 H new ATOM 0 HG SER A 77 13.318 -0.902 -7.588 1.00 2.41 H new ATOM 1153 N ILE A 78 13.500 -3.377 -5.203 1.00 1.47 N ATOM 1154 CA ILE A 78 14.426 -4.486 -5.346 1.00 1.69 C ATOM 1155 C ILE A 78 14.988 -4.496 -6.770 1.00 1.89 C ATOM 1156 O ILE A 78 15.894 -5.268 -7.078 1.00 2.38 O ATOM 1157 CB ILE A 78 13.756 -5.800 -4.941 1.00 1.63 C ATOM 1158 CG1 ILE A 78 12.901 -6.355 -6.082 1.00 2.09 C ATOM 1159 CG2 ILE A 78 12.949 -5.629 -3.652 1.00 1.43 C ATOM 1160 CD1 ILE A 78 12.441 -7.782 -5.779 1.00 2.16 C ATOM 0 H ILE A 78 12.514 -3.639 -5.228 1.00 1.47 H new ATOM 0 HA ILE A 78 15.272 -4.365 -4.669 1.00 1.69 H new ATOM 0 HB ILE A 78 14.537 -6.533 -4.738 1.00 1.63 H new ATOM 0 HG12 ILE A 78 12.033 -5.714 -6.235 1.00 2.09 H new ATOM 0 HG13 ILE A 78 13.474 -6.343 -7.009 1.00 2.09 H new ATOM 0 HG21 ILE A 78 12.483 -6.578 -3.386 1.00 1.43 H new ATOM 0 HG22 ILE A 78 13.612 -5.312 -2.847 1.00 1.43 H new ATOM 0 HG23 ILE A 78 12.176 -4.875 -3.804 1.00 1.43 H new ATOM 0 HD11 ILE A 78 11.835 -8.152 -6.606 1.00 2.16 H new ATOM 0 HD12 ILE A 78 13.311 -8.425 -5.650 1.00 2.16 H new ATOM 0 HD13 ILE A 78 11.848 -7.787 -4.864 1.00 2.16 H new ATOM 1172 N TYR A 79 14.425 -3.630 -7.599 1.00 1.63 N ATOM 1173 CA TYR A 79 14.901 -3.484 -8.965 1.00 1.81 C ATOM 1174 C TYR A 79 15.533 -2.108 -9.181 1.00 1.92 C ATOM 1175 O TYR A 79 15.822 -1.724 -10.313 1.00 2.30 O ATOM 1176 CB TYR A 79 13.665 -3.611 -9.858 1.00 1.83 C ATOM 1177 CG TYR A 79 12.876 -4.905 -9.648 1.00 1.79 C ATOM 1178 CD1 TYR A 79 13.483 -6.126 -9.865 1.00 2.23 C ATOM 1179 CD2 TYR A 79 11.558 -4.851 -9.243 1.00 2.55 C ATOM 1180 CE1 TYR A 79 12.740 -7.344 -9.668 1.00 2.41 C ATOM 1181 CE2 TYR A 79 10.815 -6.069 -9.046 1.00 2.90 C ATOM 1182 CZ TYR A 79 11.443 -7.255 -9.268 1.00 2.41 C ATOM 1183 OH TYR A 79 10.742 -8.406 -9.082 1.00 2.91 O ATOM 0 H TYR A 79 13.644 -3.022 -7.352 1.00 1.63 H new ATOM 0 HA TYR A 79 15.658 -4.235 -9.190 1.00 1.81 H new ATOM 0 HB2 TYR A 79 13.007 -2.762 -9.673 1.00 1.83 H new ATOM 0 HB3 TYR A 79 13.975 -3.552 -10.901 1.00 1.83 H new ATOM 0 HD1 TYR A 79 14.514 -6.168 -10.182 1.00 2.23 H new ATOM 0 HD2 TYR A 79 11.084 -3.896 -9.074 1.00 2.55 H new ATOM 0 HE1 TYR A 79 13.202 -8.306 -9.834 1.00 2.41 H new ATOM 0 HE2 TYR A 79 9.783 -6.041 -8.729 1.00 2.90 H new ATOM 0 HH TYR A 79 9.785 -8.227 -9.189 1.00 2.91 H new ATOM 1193 N GLY A 80 15.728 -1.402 -8.077 1.00 1.73 N ATOM 1194 CA GLY A 80 16.253 -0.048 -8.137 1.00 1.87 C ATOM 1195 C GLY A 80 15.278 0.947 -7.504 1.00 1.87 C ATOM 1196 O GLY A 80 14.190 0.568 -7.075 1.00 2.96 O ATOM 0 H GLY A 80 15.532 -1.742 -7.136 1.00 1.73 H new ATOM 0 HA2 GLY A 80 17.211 -0.003 -7.620 1.00 1.87 H new ATOM 0 HA3 GLY A 80 16.438 0.229 -9.175 1.00 1.87 H new ATOM 1200 N GLU A 81 15.704 2.201 -7.466 1.00 1.60 N ATOM 1201 CA GLU A 81 14.897 3.247 -6.862 1.00 1.50 C ATOM 1202 C GLU A 81 13.736 3.621 -7.785 1.00 1.60 C ATOM 1203 O GLU A 81 12.878 4.422 -7.417 1.00 1.96 O ATOM 1204 CB GLU A 81 15.749 4.474 -6.529 1.00 1.48 C ATOM 1205 CG GLU A 81 16.137 5.233 -7.799 1.00 3.02 C ATOM 1206 CD GLU A 81 17.164 6.325 -7.493 1.00 3.28 C ATOM 1207 OE1 GLU A 81 17.479 6.488 -6.294 1.00 3.48 O ATOM 1208 OE2 GLU A 81 17.612 6.972 -8.464 1.00 4.06 O ATOM 0 H GLU A 81 16.598 2.516 -7.844 1.00 1.60 H new ATOM 0 HA GLU A 81 14.485 2.867 -5.927 1.00 1.50 H new ATOM 0 HB2 GLU A 81 15.196 5.134 -5.861 1.00 1.48 H new ATOM 0 HB3 GLU A 81 16.649 4.163 -5.998 1.00 1.48 H new ATOM 0 HG2 GLU A 81 16.547 4.538 -8.531 1.00 3.02 H new ATOM 0 HG3 GLU A 81 15.249 5.679 -8.246 1.00 3.02 H new ATOM 1215 N LYS A 82 13.745 3.023 -8.967 1.00 1.49 N ATOM 1216 CA LYS A 82 12.596 3.097 -9.853 1.00 1.55 C ATOM 1217 C LYS A 82 12.424 1.757 -10.572 1.00 1.30 C ATOM 1218 O LYS A 82 13.292 0.889 -10.490 1.00 1.28 O ATOM 1219 CB LYS A 82 12.724 4.291 -10.800 1.00 1.94 C ATOM 1220 CG LYS A 82 14.176 4.486 -11.242 1.00 3.33 C ATOM 1221 CD LYS A 82 14.632 3.340 -12.148 1.00 4.90 C ATOM 1222 CE LYS A 82 15.835 3.758 -12.996 1.00 6.25 C ATOM 1223 NZ LYS A 82 15.391 4.507 -14.193 1.00 6.68 N ATOM 0 H LYS A 82 14.531 2.485 -9.332 1.00 1.49 H new ATOM 0 HA LYS A 82 11.685 3.271 -9.280 1.00 1.55 H new ATOM 0 HB2 LYS A 82 12.092 4.136 -11.674 1.00 1.94 H new ATOM 0 HB3 LYS A 82 12.367 5.193 -10.304 1.00 1.94 H new ATOM 0 HG2 LYS A 82 14.275 5.434 -11.771 1.00 3.33 H new ATOM 0 HG3 LYS A 82 14.822 4.541 -10.366 1.00 3.33 H new ATOM 0 HD2 LYS A 82 14.894 2.474 -11.541 1.00 4.90 H new ATOM 0 HD3 LYS A 82 13.811 3.037 -12.798 1.00 4.90 H new ATOM 0 HE2 LYS A 82 16.509 4.376 -12.402 1.00 6.25 H new ATOM 0 HE3 LYS A 82 16.397 2.875 -13.300 1.00 6.25 H new ATOM 0 HZ1 LYS A 82 16.220 4.783 -14.757 1.00 6.68 H new ATOM 0 HZ2 LYS A 82 14.766 3.905 -14.767 1.00 6.68 H new ATOM 0 HZ3 LYS A 82 14.874 5.360 -13.897 1.00 6.68 H new ATOM 1237 N PHE A 83 11.299 1.631 -11.261 1.00 1.32 N ATOM 1238 CA PHE A 83 10.960 0.380 -11.918 1.00 1.24 C ATOM 1239 C PHE A 83 9.814 0.576 -12.911 1.00 1.15 C ATOM 1240 O PHE A 83 8.875 1.324 -12.642 1.00 1.07 O ATOM 1241 CB PHE A 83 10.512 -0.592 -10.825 1.00 1.46 C ATOM 1242 CG PHE A 83 9.452 -1.596 -11.282 1.00 1.40 C ATOM 1243 CD1 PHE A 83 9.775 -2.563 -12.183 1.00 2.81 C ATOM 1244 CD2 PHE A 83 8.187 -1.522 -10.788 1.00 2.01 C ATOM 1245 CE1 PHE A 83 8.791 -3.495 -12.607 1.00 3.58 C ATOM 1246 CE2 PHE A 83 7.203 -2.454 -11.212 1.00 2.17 C ATOM 1247 CZ PHE A 83 7.526 -3.421 -12.113 1.00 2.72 C ATOM 0 H PHE A 83 10.611 2.375 -11.378 1.00 1.32 H new ATOM 0 HA PHE A 83 11.822 0.003 -12.469 1.00 1.24 H new ATOM 0 HB2 PHE A 83 11.382 -1.138 -10.460 1.00 1.46 H new ATOM 0 HB3 PHE A 83 10.118 -0.021 -9.984 1.00 1.46 H new ATOM 0 HD1 PHE A 83 10.779 -2.622 -12.576 1.00 2.81 H new ATOM 0 HD2 PHE A 83 7.931 -0.754 -10.073 1.00 2.01 H new ATOM 0 HE1 PHE A 83 9.047 -4.263 -13.322 1.00 3.58 H new ATOM 0 HE2 PHE A 83 6.199 -2.395 -10.819 1.00 2.17 H new ATOM 0 HZ PHE A 83 6.778 -4.130 -12.436 1.00 2.72 H new ATOM 1257 N GLU A 84 9.927 -0.109 -14.040 1.00 1.23 N ATOM 1258 CA GLU A 84 8.963 0.053 -15.114 1.00 1.20 C ATOM 1259 C GLU A 84 7.590 -0.462 -14.677 1.00 1.11 C ATOM 1260 O GLU A 84 7.452 -1.030 -13.595 1.00 1.08 O ATOM 1261 CB GLU A 84 9.434 -0.654 -16.386 1.00 1.35 C ATOM 1262 CG GLU A 84 10.494 0.175 -17.114 1.00 2.41 C ATOM 1263 CD GLU A 84 11.210 -0.661 -18.176 1.00 2.83 C ATOM 1264 OE1 GLU A 84 12.044 -1.500 -17.772 1.00 3.01 O ATOM 1265 OE2 GLU A 84 10.909 -0.442 -19.370 1.00 3.88 O ATOM 0 H GLU A 84 10.672 -0.778 -14.234 1.00 1.23 H new ATOM 0 HA GLU A 84 8.876 1.116 -15.340 1.00 1.20 H new ATOM 0 HB2 GLU A 84 9.843 -1.632 -16.132 1.00 1.35 H new ATOM 0 HB3 GLU A 84 8.584 -0.825 -17.047 1.00 1.35 H new ATOM 0 HG2 GLU A 84 10.025 1.040 -17.582 1.00 2.41 H new ATOM 0 HG3 GLU A 84 11.220 0.556 -16.395 1.00 2.41 H new ATOM 1272 N ASP A 85 6.609 -0.245 -15.541 1.00 1.18 N ATOM 1273 CA ASP A 85 5.261 -0.719 -15.277 1.00 1.17 C ATOM 1274 C ASP A 85 5.033 -2.035 -16.022 1.00 1.18 C ATOM 1275 O ASP A 85 5.937 -2.545 -16.682 1.00 1.85 O ATOM 1276 CB ASP A 85 4.218 0.288 -15.767 1.00 1.29 C ATOM 1277 CG ASP A 85 2.924 0.326 -14.952 1.00 2.10 C ATOM 1278 OD1 ASP A 85 2.038 -0.502 -15.254 1.00 3.48 O ATOM 1279 OD2 ASP A 85 2.849 1.183 -14.045 1.00 2.54 O ATOM 0 H ASP A 85 6.721 0.253 -16.424 1.00 1.18 H new ATOM 0 HA ASP A 85 5.155 -0.854 -14.201 1.00 1.17 H new ATOM 0 HB2 ASP A 85 4.664 1.283 -15.760 1.00 1.29 H new ATOM 0 HB3 ASP A 85 3.971 0.057 -16.803 1.00 1.29 H new ATOM 1284 N GLU A 86 3.818 -2.549 -15.891 1.00 1.05 N ATOM 1285 CA GLU A 86 3.472 -3.818 -16.510 1.00 1.03 C ATOM 1286 C GLU A 86 2.360 -3.619 -17.542 1.00 1.04 C ATOM 1287 O GLU A 86 2.582 -3.791 -18.739 1.00 1.23 O ATOM 1288 CB GLU A 86 3.063 -4.848 -15.455 1.00 1.04 C ATOM 1289 CG GLU A 86 3.907 -4.700 -14.188 1.00 1.84 C ATOM 1290 CD GLU A 86 3.548 -5.777 -13.161 1.00 2.94 C ATOM 1291 OE1 GLU A 86 4.185 -6.851 -13.218 1.00 3.46 O ATOM 1292 OE2 GLU A 86 2.644 -5.501 -12.343 1.00 4.29 O ATOM 0 H GLU A 86 3.062 -2.110 -15.366 1.00 1.05 H new ATOM 0 HA GLU A 86 4.353 -4.202 -17.024 1.00 1.03 H new ATOM 0 HB2 GLU A 86 2.008 -4.724 -15.210 1.00 1.04 H new ATOM 0 HB3 GLU A 86 3.180 -5.854 -15.859 1.00 1.04 H new ATOM 0 HG2 GLU A 86 4.965 -4.772 -14.441 1.00 1.84 H new ATOM 0 HG3 GLU A 86 3.749 -3.712 -13.755 1.00 1.84 H new ATOM 1299 N ASN A 87 1.188 -3.258 -17.040 1.00 0.93 N ATOM 1300 CA ASN A 87 0.015 -3.140 -17.889 1.00 0.94 C ATOM 1301 C ASN A 87 -1.169 -2.654 -17.051 1.00 0.89 C ATOM 1302 O ASN A 87 -1.021 -2.379 -15.861 1.00 0.98 O ATOM 1303 CB ASN A 87 -0.361 -4.491 -18.500 1.00 0.96 C ATOM 1304 CG ASN A 87 -0.728 -5.502 -17.411 1.00 1.37 C ATOM 1305 OD1 ASN A 87 -1.849 -5.561 -16.935 1.00 2.70 O ATOM 1306 ND2 ASN A 87 0.278 -6.292 -17.046 1.00 1.05 N ATOM 0 H ASN A 87 1.026 -3.043 -16.056 1.00 0.93 H new ATOM 0 HA ASN A 87 0.246 -2.435 -18.688 1.00 0.94 H new ATOM 0 HB2 ASN A 87 -1.202 -4.364 -19.182 1.00 0.96 H new ATOM 0 HB3 ASN A 87 0.473 -4.872 -19.089 1.00 0.96 H new ATOM 0 HD21 ASN A 87 0.135 -7.001 -16.326 1.00 1.05 H new ATOM 0 HD22 ASN A 87 1.193 -6.189 -17.486 1.00 1.05 H new ATOM 1313 N PHE A 88 -2.318 -2.563 -17.704 1.00 0.98 N ATOM 1314 CA PHE A 88 -3.547 -2.211 -17.013 1.00 0.96 C ATOM 1315 C PHE A 88 -4.705 -3.103 -17.464 1.00 1.01 C ATOM 1316 O PHE A 88 -5.809 -2.617 -17.707 1.00 1.00 O ATOM 1317 CB PHE A 88 -3.864 -0.759 -17.377 1.00 0.90 C ATOM 1318 CG PHE A 88 -2.789 0.240 -16.945 1.00 0.86 C ATOM 1319 CD1 PHE A 88 -2.556 0.459 -15.623 1.00 1.78 C ATOM 1320 CD2 PHE A 88 -2.067 0.910 -17.883 1.00 1.79 C ATOM 1321 CE1 PHE A 88 -1.558 1.387 -15.223 1.00 1.91 C ATOM 1322 CE2 PHE A 88 -1.070 1.838 -17.483 1.00 1.72 C ATOM 1323 CZ PHE A 88 -0.836 2.056 -16.161 1.00 0.99 C ATOM 0 H PHE A 88 -2.424 -2.727 -18.705 1.00 0.98 H new ATOM 0 HA PHE A 88 -3.421 -2.343 -15.938 1.00 0.96 H new ATOM 0 HB2 PHE A 88 -4.000 -0.687 -18.456 1.00 0.90 H new ATOM 0 HB3 PHE A 88 -4.812 -0.479 -16.917 1.00 0.90 H new ATOM 0 HD1 PHE A 88 -3.129 -0.072 -14.878 1.00 1.78 H new ATOM 0 HD2 PHE A 88 -2.252 0.736 -18.933 1.00 1.79 H new ATOM 0 HE1 PHE A 88 -1.373 1.561 -14.173 1.00 1.91 H new ATOM 0 HE2 PHE A 88 -0.498 2.371 -18.228 1.00 1.72 H new ATOM 0 HZ PHE A 88 -0.076 2.761 -15.856 1.00 0.99 H new ATOM 1333 N ILE A 89 -4.414 -4.391 -17.563 1.00 1.10 N ATOM 1334 CA ILE A 89 -5.441 -5.368 -17.884 1.00 1.16 C ATOM 1335 C ILE A 89 -6.511 -5.354 -16.791 1.00 1.12 C ATOM 1336 O ILE A 89 -7.698 -5.498 -17.078 1.00 1.17 O ATOM 1337 CB ILE A 89 -4.816 -6.746 -18.116 1.00 1.29 C ATOM 1338 CG1 ILE A 89 -4.056 -6.787 -19.443 1.00 1.39 C ATOM 1339 CG2 ILE A 89 -5.872 -7.849 -18.025 1.00 1.34 C ATOM 1340 CD1 ILE A 89 -3.000 -7.894 -19.436 1.00 1.40 C ATOM 0 H ILE A 89 -3.482 -4.781 -17.427 1.00 1.10 H new ATOM 0 HA ILE A 89 -5.937 -5.107 -18.819 1.00 1.16 H new ATOM 0 HB ILE A 89 -4.090 -6.930 -17.324 1.00 1.29 H new ATOM 0 HG12 ILE A 89 -4.756 -6.952 -20.262 1.00 1.39 H new ATOM 0 HG13 ILE A 89 -3.578 -5.824 -19.622 1.00 1.39 H new ATOM 0 HG21 ILE A 89 -5.402 -8.818 -18.194 1.00 1.34 H new ATOM 0 HG22 ILE A 89 -6.329 -7.835 -17.035 1.00 1.34 H new ATOM 0 HG23 ILE A 89 -6.639 -7.682 -18.781 1.00 1.34 H new ATOM 0 HD11 ILE A 89 -2.474 -7.901 -20.391 1.00 1.40 H new ATOM 0 HD12 ILE A 89 -2.288 -7.712 -18.631 1.00 1.40 H new ATOM 0 HD13 ILE A 89 -3.484 -8.858 -19.281 1.00 1.40 H new ATOM 1352 N LEU A 90 -6.052 -5.180 -15.560 1.00 1.06 N ATOM 1353 CA LEU A 90 -6.958 -5.118 -14.426 1.00 1.01 C ATOM 1354 C LEU A 90 -7.518 -3.699 -14.303 1.00 0.88 C ATOM 1355 O LEU A 90 -6.965 -2.758 -14.871 1.00 0.90 O ATOM 1356 CB LEU A 90 -6.263 -5.616 -13.157 1.00 1.07 C ATOM 1357 CG LEU A 90 -5.919 -7.106 -13.122 1.00 1.35 C ATOM 1358 CD1 LEU A 90 -4.542 -7.366 -13.735 1.00 1.28 C ATOM 1359 CD2 LEU A 90 -6.027 -7.660 -11.700 1.00 2.44 C ATOM 0 H LEU A 90 -5.065 -5.080 -15.323 1.00 1.06 H new ATOM 0 HA LEU A 90 -7.807 -5.784 -14.580 1.00 1.01 H new ATOM 0 HB2 LEU A 90 -5.343 -5.048 -13.024 1.00 1.07 H new ATOM 0 HB3 LEU A 90 -6.903 -5.391 -12.304 1.00 1.07 H new ATOM 0 HG LEU A 90 -6.648 -7.639 -13.732 1.00 1.35 H new ATOM 0 HD11 LEU A 90 -4.323 -8.433 -13.697 1.00 1.28 H new ATOM 0 HD12 LEU A 90 -4.536 -7.031 -14.772 1.00 1.28 H new ATOM 0 HD13 LEU A 90 -3.785 -6.820 -13.173 1.00 1.28 H new ATOM 0 HD21 LEU A 90 -5.777 -8.721 -11.703 1.00 2.44 H new ATOM 0 HD22 LEU A 90 -5.335 -7.126 -11.048 1.00 2.44 H new ATOM 0 HD23 LEU A 90 -7.045 -7.528 -11.334 1.00 2.44 H new ATOM 1371 N LYS A 91 -8.609 -3.590 -13.560 1.00 0.88 N ATOM 1372 CA LYS A 91 -9.297 -2.318 -13.421 1.00 0.81 C ATOM 1373 C LYS A 91 -9.692 -2.113 -11.958 1.00 0.84 C ATOM 1374 O LYS A 91 -9.387 -2.946 -11.106 1.00 0.92 O ATOM 1375 CB LYS A 91 -10.476 -2.237 -14.394 1.00 0.94 C ATOM 1376 CG LYS A 91 -11.536 -3.287 -14.057 1.00 2.30 C ATOM 1377 CD LYS A 91 -12.628 -3.327 -15.129 1.00 2.34 C ATOM 1378 CE LYS A 91 -13.820 -4.168 -14.667 1.00 3.46 C ATOM 1379 NZ LYS A 91 -13.407 -5.570 -14.438 1.00 5.37 N ATOM 0 H LYS A 91 -9.034 -4.363 -13.047 1.00 0.88 H new ATOM 0 HA LYS A 91 -8.634 -1.496 -13.690 1.00 0.81 H new ATOM 0 HB2 LYS A 91 -10.919 -1.242 -14.353 1.00 0.94 H new ATOM 0 HB3 LYS A 91 -10.122 -2.387 -15.414 1.00 0.94 H new ATOM 0 HG2 LYS A 91 -11.068 -4.268 -13.973 1.00 2.30 H new ATOM 0 HG3 LYS A 91 -11.981 -3.062 -13.088 1.00 2.30 H new ATOM 0 HD2 LYS A 91 -12.959 -2.313 -15.354 1.00 2.34 H new ATOM 0 HD3 LYS A 91 -12.222 -3.742 -16.052 1.00 2.34 H new ATOM 0 HE2 LYS A 91 -14.234 -3.750 -13.749 1.00 3.46 H new ATOM 0 HE3 LYS A 91 -14.610 -4.133 -15.417 1.00 3.46 H new ATOM 0 HZ1 LYS A 91 -14.248 -6.155 -14.257 1.00 5.37 H new ATOM 0 HZ2 LYS A 91 -12.911 -5.928 -15.279 1.00 5.37 H new ATOM 0 HZ3 LYS A 91 -12.771 -5.615 -13.616 1.00 5.37 H new ATOM 1393 N HIS A 92 -10.365 -0.999 -11.710 1.00 0.82 N ATOM 1394 CA HIS A 92 -10.804 -0.673 -10.364 1.00 0.80 C ATOM 1395 C HIS A 92 -12.312 -0.897 -10.247 1.00 0.83 C ATOM 1396 O HIS A 92 -13.103 -0.047 -10.653 1.00 0.93 O ATOM 1397 CB HIS A 92 -10.384 0.749 -9.985 1.00 0.73 C ATOM 1398 CG HIS A 92 -8.893 0.983 -10.033 1.00 0.84 C ATOM 1399 ND1 HIS A 92 -8.188 1.544 -8.982 1.00 1.13 N ATOM 1400 CD2 HIS A 92 -7.981 0.725 -11.014 1.00 2.32 C ATOM 1401 CE1 HIS A 92 -6.911 1.617 -9.327 1.00 0.76 C ATOM 1402 NE2 HIS A 92 -6.785 1.109 -10.587 1.00 1.83 N ATOM 0 H HIS A 92 -10.617 -0.310 -12.419 1.00 0.82 H new ATOM 0 HA HIS A 92 -10.317 -1.336 -9.649 1.00 0.80 H new ATOM 0 HB2 HIS A 92 -10.874 1.453 -10.658 1.00 0.73 H new ATOM 0 HB3 HIS A 92 -10.743 0.967 -8.979 1.00 0.73 H new ATOM 0 HD2 HIS A 92 -8.196 0.283 -11.976 1.00 2.32 H new ATOM 0 HE1 HIS A 92 -6.110 2.010 -8.718 1.00 0.76 H new ATOM 0 HE2 HIS A 92 -5.915 1.036 -11.114 1.00 1.83 H new ATOM 1410 N THR A 93 -12.666 -2.046 -9.690 1.00 0.81 N ATOM 1411 CA THR A 93 -14.064 -2.428 -9.588 1.00 0.87 C ATOM 1412 C THR A 93 -14.742 -1.671 -8.444 1.00 0.80 C ATOM 1413 O THR A 93 -15.965 -1.536 -8.422 1.00 0.81 O ATOM 1414 CB THR A 93 -14.128 -3.949 -9.432 1.00 0.99 C ATOM 1415 OG1 THR A 93 -13.154 -4.237 -8.432 1.00 0.94 O ATOM 1416 CG2 THR A 93 -13.619 -4.687 -10.671 1.00 1.14 C ATOM 0 H THR A 93 -12.009 -2.725 -9.305 1.00 0.81 H new ATOM 0 HA THR A 93 -14.615 -2.155 -10.488 1.00 0.87 H new ATOM 0 HB THR A 93 -15.156 -4.249 -9.228 1.00 0.99 H new ATOM 0 HG1 THR A 93 -13.130 -5.203 -8.267 1.00 0.94 H new ATOM 0 HG21 THR A 93 -13.686 -5.763 -10.507 1.00 1.14 H new ATOM 0 HG22 THR A 93 -14.227 -4.413 -11.533 1.00 1.14 H new ATOM 0 HG23 THR A 93 -12.581 -4.413 -10.857 1.00 1.14 H new ATOM 1424 N GLY A 94 -13.918 -1.197 -7.521 1.00 0.81 N ATOM 1425 CA GLY A 94 -14.422 -0.451 -6.380 1.00 0.77 C ATOM 1426 C GLY A 94 -13.519 -0.639 -5.160 1.00 0.73 C ATOM 1427 O GLY A 94 -12.295 -0.594 -5.276 1.00 0.72 O ATOM 0 H GLY A 94 -12.905 -1.315 -7.540 1.00 0.81 H new ATOM 0 HA2 GLY A 94 -14.483 0.608 -6.632 1.00 0.77 H new ATOM 0 HA3 GLY A 94 -15.433 -0.782 -6.143 1.00 0.77 H new ATOM 1431 N PRO A 95 -14.174 -0.852 -3.987 1.00 0.73 N ATOM 1432 CA PRO A 95 -13.444 -1.027 -2.743 1.00 0.72 C ATOM 1433 C PRO A 95 -12.801 -2.413 -2.675 1.00 0.77 C ATOM 1434 O PRO A 95 -13.316 -3.370 -3.250 1.00 0.87 O ATOM 1435 CB PRO A 95 -14.473 -0.795 -1.648 1.00 0.72 C ATOM 1436 CG PRO A 95 -15.831 -0.958 -2.310 1.00 0.75 C ATOM 1437 CD PRO A 95 -15.622 -0.932 -3.815 1.00 0.75 C ATOM 0 HA PRO A 95 -12.611 -0.332 -2.642 1.00 0.72 H new ATOM 0 HB2 PRO A 95 -14.346 -1.510 -0.835 1.00 0.72 H new ATOM 0 HB3 PRO A 95 -14.366 0.200 -1.216 1.00 0.72 H new ATOM 0 HG2 PRO A 95 -16.294 -1.896 -2.005 1.00 0.75 H new ATOM 0 HG3 PRO A 95 -16.503 -0.157 -2.004 1.00 0.75 H new ATOM 0 HD2 PRO A 95 -16.028 -1.827 -4.287 1.00 0.75 H new ATOM 0 HD3 PRO A 95 -16.123 -0.077 -4.270 1.00 0.75 H new ATOM 1445 N GLY A 96 -11.683 -2.477 -1.966 1.00 0.76 N ATOM 1446 CA GLY A 96 -10.979 -3.736 -1.791 1.00 0.82 C ATOM 1447 C GLY A 96 -9.989 -3.974 -2.932 1.00 0.81 C ATOM 1448 O GLY A 96 -9.559 -5.104 -3.161 1.00 0.89 O ATOM 0 H GLY A 96 -11.248 -1.677 -1.506 1.00 0.76 H new ATOM 0 HA2 GLY A 96 -10.448 -3.730 -0.839 1.00 0.82 H new ATOM 0 HA3 GLY A 96 -11.697 -4.555 -1.751 1.00 0.82 H new ATOM 1452 N ILE A 97 -9.655 -2.891 -3.619 1.00 0.90 N ATOM 1453 CA ILE A 97 -8.725 -2.969 -4.733 1.00 0.89 C ATOM 1454 C ILE A 97 -7.340 -2.513 -4.268 1.00 0.78 C ATOM 1455 O ILE A 97 -7.184 -1.398 -3.773 1.00 0.75 O ATOM 1456 CB ILE A 97 -9.260 -2.184 -5.933 1.00 0.90 C ATOM 1457 CG1 ILE A 97 -10.362 -2.965 -6.652 1.00 1.25 C ATOM 1458 CG2 ILE A 97 -8.125 -1.791 -6.881 1.00 0.88 C ATOM 1459 CD1 ILE A 97 -9.767 -3.972 -7.638 1.00 1.39 C ATOM 0 H ILE A 97 -10.012 -1.955 -3.426 1.00 0.90 H new ATOM 0 HA ILE A 97 -8.624 -3.999 -5.074 1.00 0.89 H new ATOM 0 HB ILE A 97 -9.707 -1.261 -5.565 1.00 0.90 H new ATOM 0 HG12 ILE A 97 -10.978 -3.488 -5.921 1.00 1.25 H new ATOM 0 HG13 ILE A 97 -11.015 -2.273 -7.183 1.00 1.25 H new ATOM 0 HG21 ILE A 97 -8.532 -1.234 -7.725 1.00 0.88 H new ATOM 0 HG22 ILE A 97 -7.406 -1.169 -6.349 1.00 0.88 H new ATOM 0 HG23 ILE A 97 -7.628 -2.690 -7.245 1.00 0.88 H new ATOM 0 HD11 ILE A 97 -10.572 -4.513 -8.135 1.00 1.39 H new ATOM 0 HD12 ILE A 97 -9.171 -3.444 -8.382 1.00 1.39 H new ATOM 0 HD13 ILE A 97 -9.134 -4.677 -7.100 1.00 1.39 H new ATOM 1471 N LEU A 98 -6.371 -3.399 -4.445 1.00 0.81 N ATOM 1472 CA LEU A 98 -5.002 -3.096 -4.064 1.00 0.80 C ATOM 1473 C LEU A 98 -4.252 -2.540 -5.277 1.00 0.71 C ATOM 1474 O LEU A 98 -4.000 -3.262 -6.240 1.00 0.83 O ATOM 1475 CB LEU A 98 -4.336 -4.323 -3.439 1.00 0.94 C ATOM 1476 CG LEU A 98 -2.957 -4.093 -2.816 1.00 1.03 C ATOM 1477 CD1 LEU A 98 -3.077 -3.390 -1.463 1.00 1.26 C ATOM 1478 CD2 LEU A 98 -2.177 -5.405 -2.713 1.00 2.09 C ATOM 0 H LEU A 98 -6.507 -4.327 -4.847 1.00 0.81 H new ATOM 0 HA LEU A 98 -4.982 -2.325 -3.294 1.00 0.80 H new ATOM 0 HB2 LEU A 98 -4.999 -4.719 -2.670 1.00 0.94 H new ATOM 0 HB3 LEU A 98 -4.243 -5.092 -4.206 1.00 0.94 H new ATOM 0 HG LEU A 98 -2.391 -3.432 -3.473 1.00 1.03 H new ATOM 0 HD11 LEU A 98 -2.083 -3.239 -1.042 1.00 1.26 H new ATOM 0 HD12 LEU A 98 -3.565 -2.425 -1.597 1.00 1.26 H new ATOM 0 HD13 LEU A 98 -3.668 -4.005 -0.785 1.00 1.26 H new ATOM 0 HD21 LEU A 98 -1.201 -5.214 -2.267 1.00 2.09 H new ATOM 0 HD22 LEU A 98 -2.729 -6.109 -2.090 1.00 2.09 H new ATOM 0 HD23 LEU A 98 -2.044 -5.829 -3.709 1.00 2.09 H new ATOM 1490 N SER A 99 -3.916 -1.261 -5.189 1.00 0.69 N ATOM 1491 CA SER A 99 -3.306 -0.569 -6.311 1.00 0.70 C ATOM 1492 C SER A 99 -1.988 0.073 -5.876 1.00 0.68 C ATOM 1493 O SER A 99 -1.815 0.413 -4.706 1.00 0.67 O ATOM 1494 CB SER A 99 -4.250 0.490 -6.884 1.00 0.77 C ATOM 1495 OG SER A 99 -4.132 1.735 -6.201 1.00 1.54 O ATOM 0 H SER A 99 -4.055 -0.686 -4.358 1.00 0.69 H new ATOM 0 HA SER A 99 -3.105 -1.299 -7.095 1.00 0.70 H new ATOM 0 HB2 SER A 99 -4.033 0.635 -7.942 1.00 0.77 H new ATOM 0 HB3 SER A 99 -5.278 0.135 -6.815 1.00 0.77 H new ATOM 0 HG SER A 99 -4.984 1.952 -5.768 1.00 1.54 H new ATOM 1501 N MET A 100 -1.091 0.221 -6.840 1.00 0.91 N ATOM 1502 CA MET A 100 0.199 0.835 -6.575 1.00 0.89 C ATOM 1503 C MET A 100 0.096 2.361 -6.607 1.00 0.86 C ATOM 1504 O MET A 100 -0.944 2.909 -6.970 1.00 1.22 O ATOM 1505 CB MET A 100 1.211 0.370 -7.623 1.00 0.92 C ATOM 1506 CG MET A 100 1.510 -1.123 -7.472 1.00 1.59 C ATOM 1507 SD MET A 100 2.874 -1.583 -8.527 1.00 2.22 S ATOM 1508 CE MET A 100 4.243 -1.032 -7.522 1.00 1.43 C ATOM 0 H MET A 100 -1.232 -0.074 -7.806 1.00 0.91 H new ATOM 0 HA MET A 100 0.527 0.532 -5.581 1.00 0.89 H new ATOM 0 HB2 MET A 100 0.822 0.567 -8.622 1.00 0.92 H new ATOM 0 HB3 MET A 100 2.134 0.941 -7.521 1.00 0.92 H new ATOM 0 HG2 MET A 100 1.750 -1.351 -6.433 1.00 1.59 H new ATOM 0 HG3 MET A 100 0.627 -1.707 -7.731 1.00 1.59 H new ATOM 0 HE1 MET A 100 5.170 -1.458 -7.905 1.00 1.43 H new ATOM 0 HE2 MET A 100 4.303 0.056 -7.554 1.00 1.43 H new ATOM 0 HE3 MET A 100 4.093 -1.357 -6.493 1.00 1.43 H new ATOM 1518 N ALA A 101 1.188 3.004 -6.221 1.00 0.99 N ATOM 1519 CA ALA A 101 1.293 4.448 -6.354 1.00 0.99 C ATOM 1520 C ALA A 101 2.544 4.791 -7.165 1.00 1.09 C ATOM 1521 O ALA A 101 3.562 4.109 -7.062 1.00 1.82 O ATOM 1522 CB ALA A 101 1.304 5.089 -4.965 1.00 1.06 C ATOM 0 H ALA A 101 2.008 2.552 -5.816 1.00 0.99 H new ATOM 0 HA ALA A 101 0.433 4.848 -6.890 1.00 0.99 H new ATOM 0 HB1 ALA A 101 1.383 6.172 -5.064 1.00 1.06 H new ATOM 0 HB2 ALA A 101 0.381 4.839 -4.442 1.00 1.06 H new ATOM 0 HB3 ALA A 101 2.156 4.714 -4.398 1.00 1.06 H new ATOM 1528 N ASN A 102 2.427 5.849 -7.955 1.00 0.97 N ATOM 1529 CA ASN A 102 3.473 6.195 -8.902 1.00 1.06 C ATOM 1530 C ASN A 102 3.591 7.718 -8.990 1.00 0.99 C ATOM 1531 O ASN A 102 2.653 8.438 -8.650 1.00 1.15 O ATOM 1532 CB ASN A 102 3.148 5.665 -10.300 1.00 1.17 C ATOM 1533 CG ASN A 102 1.692 5.956 -10.672 1.00 2.01 C ATOM 1534 OD1 ASN A 102 0.795 5.164 -10.437 1.00 2.84 O ATOM 1535 ND2 ASN A 102 1.510 7.132 -11.264 1.00 3.30 N ATOM 0 H ASN A 102 1.624 6.478 -7.958 1.00 0.97 H new ATOM 0 HA ASN A 102 4.404 5.748 -8.554 1.00 1.06 H new ATOM 0 HB2 ASN A 102 3.813 6.125 -11.031 1.00 1.17 H new ATOM 0 HB3 ASN A 102 3.329 4.591 -10.337 1.00 1.17 H new ATOM 0 HD21 ASN A 102 0.574 7.419 -11.551 1.00 3.30 H new ATOM 0 HD22 ASN A 102 2.306 7.748 -11.431 1.00 3.30 H new ATOM 1542 N ALA A 103 4.752 8.164 -9.447 1.00 1.15 N ATOM 1543 CA ALA A 103 5.025 9.589 -9.533 1.00 1.18 C ATOM 1544 C ALA A 103 5.493 9.930 -10.949 1.00 1.13 C ATOM 1545 O ALA A 103 6.188 10.924 -11.155 1.00 1.27 O ATOM 1546 CB ALA A 103 6.054 9.976 -8.469 1.00 1.48 C ATOM 0 H ALA A 103 5.514 7.564 -9.762 1.00 1.15 H new ATOM 0 HA ALA A 103 4.121 10.166 -9.338 1.00 1.18 H new ATOM 0 HB1 ALA A 103 6.259 11.045 -8.533 1.00 1.48 H new ATOM 0 HB2 ALA A 103 5.661 9.741 -7.480 1.00 1.48 H new ATOM 0 HB3 ALA A 103 6.976 9.419 -8.635 1.00 1.48 H new ATOM 1552 N GLY A 104 5.094 9.085 -11.889 1.00 1.09 N ATOM 1553 CA GLY A 104 5.435 9.304 -13.285 1.00 1.11 C ATOM 1554 C GLY A 104 5.445 7.985 -14.059 1.00 1.09 C ATOM 1555 O GLY A 104 5.168 6.927 -13.496 1.00 1.12 O ATOM 0 H GLY A 104 4.538 8.248 -11.712 1.00 1.09 H new ATOM 0 HA2 GLY A 104 4.717 9.989 -13.736 1.00 1.11 H new ATOM 0 HA3 GLY A 104 6.414 9.778 -13.354 1.00 1.11 H new ATOM 1559 N PRO A 105 5.776 8.093 -15.374 1.00 1.20 N ATOM 1560 CA PRO A 105 5.836 6.920 -16.230 1.00 1.39 C ATOM 1561 C PRO A 105 7.095 6.098 -15.945 1.00 1.44 C ATOM 1562 O PRO A 105 8.176 6.655 -15.761 1.00 1.37 O ATOM 1563 CB PRO A 105 5.791 7.464 -17.648 1.00 1.63 C ATOM 1564 CG PRO A 105 6.175 8.931 -17.544 1.00 1.55 C ATOM 1565 CD PRO A 105 6.100 9.330 -16.079 1.00 1.30 C ATOM 0 HA PRO A 105 5.010 6.230 -16.056 1.00 1.39 H new ATOM 0 HB2 PRO A 105 6.482 6.924 -18.295 1.00 1.63 H new ATOM 0 HB3 PRO A 105 4.796 7.350 -18.079 1.00 1.63 H new ATOM 0 HG2 PRO A 105 7.181 9.091 -17.932 1.00 1.55 H new ATOM 0 HG3 PRO A 105 5.502 9.545 -18.142 1.00 1.55 H new ATOM 0 HD2 PRO A 105 7.046 9.747 -15.733 1.00 1.30 H new ATOM 0 HD3 PRO A 105 5.337 10.091 -15.914 1.00 1.30 H new ATOM 1573 N ASN A 106 6.913 4.785 -15.918 1.00 1.70 N ATOM 1574 CA ASN A 106 8.020 3.881 -15.659 1.00 1.86 C ATOM 1575 C ASN A 106 8.675 4.252 -14.327 1.00 1.77 C ATOM 1576 O ASN A 106 9.870 4.031 -14.136 1.00 1.87 O ATOM 1577 CB ASN A 106 9.084 3.986 -16.754 1.00 1.94 C ATOM 1578 CG ASN A 106 8.441 4.001 -18.142 1.00 3.12 C ATOM 1579 OD1 ASN A 106 7.889 3.019 -18.611 1.00 3.94 O ATOM 1580 ND2 ASN A 106 8.543 5.168 -18.772 1.00 3.92 N ATOM 0 H ASN A 106 6.015 4.326 -16.071 1.00 1.70 H new ATOM 0 HA ASN A 106 7.627 2.865 -15.634 1.00 1.86 H new ATOM 0 HB2 ASN A 106 9.670 4.894 -16.611 1.00 1.94 H new ATOM 0 HB3 ASN A 106 9.774 3.146 -16.678 1.00 1.94 H new ATOM 0 HD21 ASN A 106 8.146 5.280 -19.705 1.00 3.92 H new ATOM 0 HD22 ASN A 106 9.018 5.950 -18.322 1.00 3.92 H new ATOM 1587 N THR A 107 7.864 4.810 -13.440 1.00 1.69 N ATOM 1588 CA THR A 107 8.351 5.217 -12.133 1.00 1.70 C ATOM 1589 C THR A 107 7.436 4.679 -11.031 1.00 1.81 C ATOM 1590 O THR A 107 6.609 5.412 -10.493 1.00 2.56 O ATOM 1591 CB THR A 107 8.474 6.742 -12.129 1.00 1.69 C ATOM 1592 OG1 THR A 107 9.398 7.019 -13.178 1.00 3.02 O ATOM 1593 CG2 THR A 107 9.170 7.270 -10.872 1.00 1.78 C ATOM 0 H THR A 107 6.873 4.990 -13.601 1.00 1.69 H new ATOM 0 HA THR A 107 9.335 4.796 -11.929 1.00 1.70 H new ATOM 0 HB THR A 107 7.482 7.186 -12.209 1.00 1.69 H new ATOM 0 HG1 THR A 107 8.938 6.964 -14.042 1.00 3.02 H new ATOM 0 HG21 THR A 107 9.231 8.357 -10.920 1.00 1.78 H new ATOM 0 HG22 THR A 107 8.600 6.977 -9.990 1.00 1.78 H new ATOM 0 HG23 THR A 107 10.175 6.852 -10.810 1.00 1.78 H new ATOM 1601 N ASN A 108 7.615 3.401 -10.730 1.00 1.58 N ATOM 1602 CA ASN A 108 6.853 2.769 -9.666 1.00 1.62 C ATOM 1603 C ASN A 108 7.798 2.386 -8.525 1.00 1.37 C ATOM 1604 O ASN A 108 8.388 1.307 -8.539 1.00 1.66 O ATOM 1605 CB ASN A 108 6.169 1.494 -10.161 1.00 1.98 C ATOM 1606 CG ASN A 108 4.841 1.816 -10.850 1.00 2.75 C ATOM 1607 OD1 ASN A 108 3.852 2.153 -10.222 1.00 3.33 O ATOM 1608 ND2 ASN A 108 4.875 1.694 -12.174 1.00 3.95 N ATOM 0 H ASN A 108 8.276 2.786 -11.204 1.00 1.58 H new ATOM 0 HA ASN A 108 6.096 3.477 -9.328 1.00 1.62 H new ATOM 0 HB2 ASN A 108 6.826 0.971 -10.856 1.00 1.98 H new ATOM 0 HB3 ASN A 108 5.993 0.822 -9.321 1.00 1.98 H new ATOM 0 HD21 ASN A 108 4.039 1.887 -12.726 1.00 3.95 H new ATOM 0 HD22 ASN A 108 5.737 1.407 -12.638 1.00 3.95 H new ATOM 1615 N GLY A 109 7.912 3.292 -7.565 1.00 1.58 N ATOM 1616 CA GLY A 109 8.827 3.093 -6.453 1.00 1.81 C ATOM 1617 C GLY A 109 8.573 1.748 -5.769 1.00 1.69 C ATOM 1618 O GLY A 109 9.391 0.834 -5.866 1.00 2.65 O ATOM 0 H GLY A 109 7.386 4.166 -7.534 1.00 1.58 H new ATOM 0 HA2 GLY A 109 9.855 3.134 -6.812 1.00 1.81 H new ATOM 0 HA3 GLY A 109 8.709 3.901 -5.731 1.00 1.81 H new ATOM 1622 N SER A 110 7.437 1.670 -5.092 1.00 1.39 N ATOM 1623 CA SER A 110 7.086 0.468 -4.355 1.00 1.69 C ATOM 1624 C SER A 110 5.771 0.681 -3.602 1.00 1.73 C ATOM 1625 O SER A 110 4.899 -0.186 -3.612 1.00 2.74 O ATOM 1626 CB SER A 110 8.198 0.075 -3.381 1.00 1.98 C ATOM 1627 OG SER A 110 9.143 -0.810 -3.977 1.00 3.46 O ATOM 0 H SER A 110 6.748 2.420 -5.038 1.00 1.39 H new ATOM 0 HA SER A 110 6.961 -0.346 -5.069 1.00 1.69 H new ATOM 0 HB2 SER A 110 8.710 0.973 -3.035 1.00 1.98 H new ATOM 0 HB3 SER A 110 7.760 -0.400 -2.503 1.00 1.98 H new ATOM 0 HG SER A 110 9.466 -0.425 -4.818 1.00 3.46 H new ATOM 1633 N GLN A 111 5.671 1.839 -2.967 1.00 1.22 N ATOM 1634 CA GLN A 111 4.531 2.128 -2.114 1.00 1.35 C ATOM 1635 C GLN A 111 3.225 1.856 -2.863 1.00 1.30 C ATOM 1636 O GLN A 111 3.086 2.220 -4.029 1.00 1.80 O ATOM 1637 CB GLN A 111 4.580 3.570 -1.604 1.00 1.48 C ATOM 1638 CG GLN A 111 3.368 3.881 -0.723 1.00 3.01 C ATOM 1639 CD GLN A 111 3.229 2.852 0.402 1.00 4.94 C ATOM 1640 OE1 GLN A 111 2.408 1.951 0.355 1.00 6.23 O ATOM 1641 NE2 GLN A 111 4.075 3.037 1.411 1.00 5.71 N ATOM 0 H GLN A 111 6.361 2.588 -3.026 1.00 1.22 H new ATOM 0 HA GLN A 111 4.574 1.469 -1.247 1.00 1.35 H new ATOM 0 HB2 GLN A 111 5.497 3.728 -1.036 1.00 1.48 H new ATOM 0 HB3 GLN A 111 4.606 4.258 -2.449 1.00 1.48 H new ATOM 0 HG2 GLN A 111 3.470 4.879 -0.297 1.00 3.01 H new ATOM 0 HG3 GLN A 111 2.463 3.885 -1.331 1.00 3.01 H new ATOM 0 HE21 GLN A 111 4.737 3.812 1.386 1.00 5.71 H new ATOM 0 HE22 GLN A 111 4.062 2.403 2.210 1.00 5.71 H new ATOM 1650 N PHE A 112 2.300 1.218 -2.161 1.00 1.05 N ATOM 1651 CA PHE A 112 0.966 1.008 -2.697 1.00 0.94 C ATOM 1652 C PHE A 112 -0.095 1.636 -1.790 1.00 0.88 C ATOM 1653 O PHE A 112 0.232 2.398 -0.883 1.00 1.10 O ATOM 1654 CB PHE A 112 0.740 -0.504 -2.755 1.00 1.29 C ATOM 1655 CG PHE A 112 1.055 -1.231 -1.446 1.00 1.58 C ATOM 1656 CD1 PHE A 112 2.322 -1.657 -1.194 1.00 2.54 C ATOM 1657 CD2 PHE A 112 0.069 -1.451 -0.536 1.00 2.66 C ATOM 1658 CE1 PHE A 112 2.615 -2.332 0.021 1.00 2.88 C ATOM 1659 CE2 PHE A 112 0.362 -2.126 0.679 1.00 3.14 C ATOM 1660 CZ PHE A 112 1.629 -2.552 0.932 1.00 2.66 C ATOM 0 H PHE A 112 2.448 0.840 -1.225 1.00 1.05 H new ATOM 0 HA PHE A 112 0.884 1.470 -3.681 1.00 0.94 H new ATOM 0 HB2 PHE A 112 -0.299 -0.696 -3.024 1.00 1.29 H new ATOM 0 HB3 PHE A 112 1.358 -0.923 -3.549 1.00 1.29 H new ATOM 0 HD1 PHE A 112 3.105 -1.482 -1.917 1.00 2.54 H new ATOM 0 HD2 PHE A 112 -0.937 -1.113 -0.737 1.00 2.66 H new ATOM 0 HE1 PHE A 112 3.621 -2.671 0.222 1.00 2.88 H new ATOM 0 HE2 PHE A 112 -0.421 -2.301 1.402 1.00 3.14 H new ATOM 0 HZ PHE A 112 1.852 -3.065 1.856 1.00 2.66 H new ATOM 1670 N PHE A 113 -1.344 1.292 -2.068 1.00 0.84 N ATOM 1671 CA PHE A 113 -2.444 1.721 -1.222 1.00 1.07 C ATOM 1672 C PHE A 113 -3.666 0.821 -1.412 1.00 1.09 C ATOM 1673 O PHE A 113 -3.791 0.145 -2.432 1.00 1.81 O ATOM 1674 CB PHE A 113 -2.804 3.146 -1.645 1.00 1.29 C ATOM 1675 CG PHE A 113 -2.086 4.234 -0.845 1.00 2.29 C ATOM 1676 CD1 PHE A 113 -0.884 4.708 -1.268 1.00 2.93 C ATOM 1677 CD2 PHE A 113 -2.650 4.727 0.291 1.00 3.74 C ATOM 1678 CE1 PHE A 113 -0.217 5.718 -0.524 1.00 4.53 C ATOM 1679 CE2 PHE A 113 -1.983 5.737 1.034 1.00 5.25 C ATOM 1680 CZ PHE A 113 -0.781 6.211 0.611 1.00 5.50 C ATOM 0 H PHE A 113 -1.618 0.721 -2.867 1.00 0.84 H new ATOM 0 HA PHE A 113 -2.149 1.670 -0.174 1.00 1.07 H new ATOM 0 HB2 PHE A 113 -2.567 3.271 -2.702 1.00 1.29 H new ATOM 0 HB3 PHE A 113 -3.880 3.284 -1.541 1.00 1.29 H new ATOM 0 HD1 PHE A 113 -0.436 4.317 -2.170 1.00 2.93 H new ATOM 0 HD2 PHE A 113 -3.605 4.350 0.628 1.00 3.74 H new ATOM 0 HE1 PHE A 113 0.738 6.094 -0.860 1.00 4.53 H new ATOM 0 HE2 PHE A 113 -2.431 6.129 1.935 1.00 5.25 H new ATOM 0 HZ PHE A 113 -0.274 6.979 1.176 1.00 5.50 H new ATOM 1690 N ILE A 114 -4.537 0.841 -0.414 1.00 0.85 N ATOM 1691 CA ILE A 114 -5.834 0.196 -0.539 1.00 0.75 C ATOM 1692 C ILE A 114 -6.857 1.214 -1.047 1.00 0.64 C ATOM 1693 O ILE A 114 -6.911 2.342 -0.560 1.00 1.00 O ATOM 1694 CB ILE A 114 -6.231 -0.470 0.780 1.00 0.95 C ATOM 1695 CG1 ILE A 114 -5.236 -1.568 1.161 1.00 1.29 C ATOM 1696 CG2 ILE A 114 -7.667 -0.994 0.719 1.00 1.16 C ATOM 1697 CD1 ILE A 114 -4.844 -1.465 2.636 1.00 1.23 C ATOM 0 H ILE A 114 -4.371 1.294 0.485 1.00 0.85 H new ATOM 0 HA ILE A 114 -5.791 -0.608 -1.274 1.00 0.75 H new ATOM 0 HB ILE A 114 -6.196 0.283 1.567 1.00 0.95 H new ATOM 0 HG12 ILE A 114 -5.676 -2.546 0.965 1.00 1.29 H new ATOM 0 HG13 ILE A 114 -4.345 -1.489 0.538 1.00 1.29 H new ATOM 0 HG21 ILE A 114 -7.924 -1.463 1.669 1.00 1.16 H new ATOM 0 HG22 ILE A 114 -8.349 -0.166 0.527 1.00 1.16 H new ATOM 0 HG23 ILE A 114 -7.753 -1.728 -0.082 1.00 1.16 H new ATOM 0 HD11 ILE A 114 -4.136 -2.257 2.881 1.00 1.23 H new ATOM 0 HD12 ILE A 114 -4.383 -0.495 2.823 1.00 1.23 H new ATOM 0 HD13 ILE A 114 -5.734 -1.569 3.257 1.00 1.23 H new ATOM 1709 N CYS A 115 -7.645 0.778 -2.020 1.00 0.61 N ATOM 1710 CA CYS A 115 -8.757 1.581 -2.498 1.00 0.58 C ATOM 1711 C CYS A 115 -10.025 1.127 -1.772 1.00 0.65 C ATOM 1712 O CYS A 115 -10.452 -0.017 -1.918 1.00 0.91 O ATOM 1713 CB CYS A 115 -8.907 1.492 -4.018 1.00 0.66 C ATOM 1714 SG CYS A 115 -7.373 2.068 -4.834 1.00 1.57 S ATOM 0 H CYS A 115 -7.535 -0.121 -2.490 1.00 0.61 H new ATOM 0 HA CYS A 115 -8.570 2.632 -2.278 1.00 0.58 H new ATOM 0 HB2 CYS A 115 -9.120 0.464 -4.311 1.00 0.66 H new ATOM 0 HB3 CYS A 115 -9.752 2.098 -4.344 1.00 0.66 H new ATOM 0 HG CYS A 115 -7.511 1.986 -6.124 1.00 1.57 H new ATOM 1720 N THR A 116 -10.590 2.047 -1.004 1.00 0.55 N ATOM 1721 CA THR A 116 -11.794 1.751 -0.245 1.00 0.64 C ATOM 1722 C THR A 116 -13.023 2.330 -0.948 1.00 0.69 C ATOM 1723 O THR A 116 -14.062 2.536 -0.321 1.00 0.86 O ATOM 1724 CB THR A 116 -11.599 2.284 1.176 1.00 0.78 C ATOM 1725 OG1 THR A 116 -10.245 1.962 1.485 1.00 1.17 O ATOM 1726 CG2 THR A 116 -12.413 1.503 2.210 1.00 1.31 C ATOM 0 H THR A 116 -10.237 2.997 -0.891 1.00 0.55 H new ATOM 0 HA THR A 116 -11.970 0.677 -0.184 1.00 0.64 H new ATOM 0 HB THR A 116 -11.881 3.336 1.211 1.00 0.78 H new ATOM 0 HG1 THR A 116 -10.020 2.311 2.373 1.00 1.17 H new ATOM 0 HG21 THR A 116 -12.239 1.921 3.201 1.00 1.31 H new ATOM 0 HG22 THR A 116 -13.473 1.574 1.967 1.00 1.31 H new ATOM 0 HG23 THR A 116 -12.107 0.457 2.199 1.00 1.31 H new ATOM 1734 N ALA A 117 -12.865 2.577 -2.240 1.00 0.64 N ATOM 1735 CA ALA A 117 -13.960 3.097 -3.042 1.00 0.74 C ATOM 1736 C ALA A 117 -13.590 3.003 -4.523 1.00 0.74 C ATOM 1737 O ALA A 117 -12.489 2.577 -4.866 1.00 0.68 O ATOM 1738 CB ALA A 117 -14.275 4.530 -2.609 1.00 0.85 C ATOM 0 H ALA A 117 -11.995 2.427 -2.752 1.00 0.64 H new ATOM 0 HA ALA A 117 -14.863 2.505 -2.889 1.00 0.74 H new ATOM 0 HB1 ALA A 117 -15.096 4.920 -3.211 1.00 0.85 H new ATOM 0 HB2 ALA A 117 -14.560 4.538 -1.557 1.00 0.85 H new ATOM 0 HB3 ALA A 117 -13.393 5.155 -2.750 1.00 0.85 H new ATOM 1744 N LYS A 118 -14.533 3.408 -5.362 1.00 0.89 N ATOM 1745 CA LYS A 118 -14.314 3.389 -6.799 1.00 0.98 C ATOM 1746 C LYS A 118 -13.472 4.603 -7.197 1.00 0.91 C ATOM 1747 O LYS A 118 -14.012 5.663 -7.509 1.00 1.29 O ATOM 1748 CB LYS A 118 -15.648 3.296 -7.543 1.00 1.25 C ATOM 1749 CG LYS A 118 -15.444 3.436 -9.053 1.00 1.55 C ATOM 1750 CD LYS A 118 -16.594 2.784 -9.824 1.00 1.78 C ATOM 1751 CE LYS A 118 -16.258 1.336 -10.188 1.00 2.56 C ATOM 1752 NZ LYS A 118 -15.359 1.292 -11.362 1.00 3.71 N ATOM 0 H LYS A 118 -15.450 3.751 -5.074 1.00 0.89 H new ATOM 0 HA LYS A 118 -13.752 2.501 -7.087 1.00 0.98 H new ATOM 0 HB2 LYS A 118 -16.125 2.341 -7.324 1.00 1.25 H new ATOM 0 HB3 LYS A 118 -16.321 4.077 -7.189 1.00 1.25 H new ATOM 0 HG2 LYS A 118 -15.376 4.491 -9.318 1.00 1.55 H new ATOM 0 HG3 LYS A 118 -14.500 2.973 -9.341 1.00 1.55 H new ATOM 0 HD2 LYS A 118 -17.502 2.810 -9.221 1.00 1.78 H new ATOM 0 HD3 LYS A 118 -16.797 3.353 -10.731 1.00 1.78 H new ATOM 0 HE2 LYS A 118 -15.783 0.843 -9.340 1.00 2.56 H new ATOM 0 HE3 LYS A 118 -17.175 0.787 -10.404 1.00 2.56 H new ATOM 0 HZ1 LYS A 118 -15.046 0.313 -11.523 1.00 3.71 H new ATOM 0 HZ2 LYS A 118 -15.867 1.636 -12.202 1.00 3.71 H new ATOM 0 HZ3 LYS A 118 -14.530 1.896 -11.188 1.00 3.71 H new ATOM 1766 N THR A 119 -12.161 4.406 -7.175 1.00 0.80 N ATOM 1767 CA THR A 119 -11.242 5.439 -7.624 1.00 0.82 C ATOM 1768 C THR A 119 -11.084 5.387 -9.144 1.00 0.82 C ATOM 1769 O THR A 119 -10.105 4.842 -9.652 1.00 0.88 O ATOM 1770 CB THR A 119 -9.924 5.258 -6.869 1.00 0.94 C ATOM 1771 OG1 THR A 119 -9.531 3.921 -7.170 1.00 1.17 O ATOM 1772 CG2 THR A 119 -10.113 5.257 -5.351 1.00 1.03 C ATOM 0 H THR A 119 -11.714 3.547 -6.854 1.00 0.80 H new ATOM 0 HA THR A 119 -11.626 6.435 -7.403 1.00 0.82 H new ATOM 0 HB THR A 119 -9.235 6.055 -7.148 1.00 0.94 H new ATOM 0 HG1 THR A 119 -9.502 3.800 -8.142 1.00 1.17 H new ATOM 0 HG21 THR A 119 -9.147 5.125 -4.864 1.00 1.03 H new ATOM 0 HG22 THR A 119 -10.551 6.205 -5.038 1.00 1.03 H new ATOM 0 HG23 THR A 119 -10.776 4.440 -5.067 1.00 1.03 H new ATOM 1780 N GLU A 120 -12.062 5.963 -9.829 1.00 0.87 N ATOM 1781 CA GLU A 120 -12.175 5.783 -11.266 1.00 0.93 C ATOM 1782 C GLU A 120 -11.141 6.646 -11.992 1.00 0.88 C ATOM 1783 O GLU A 120 -10.873 6.437 -13.174 1.00 0.89 O ATOM 1784 CB GLU A 120 -13.592 6.103 -11.748 1.00 1.34 C ATOM 1785 CG GLU A 120 -13.954 5.267 -12.978 1.00 1.85 C ATOM 1786 CD GLU A 120 -14.456 3.880 -12.569 1.00 2.71 C ATOM 1787 OE1 GLU A 120 -13.702 3.195 -11.844 1.00 3.94 O ATOM 1788 OE2 GLU A 120 -15.581 3.537 -12.991 1.00 3.10 O ATOM 0 H GLU A 120 -12.783 6.554 -9.415 1.00 0.87 H new ATOM 0 HA GLU A 120 -11.974 4.737 -11.499 1.00 0.93 H new ATOM 0 HB2 GLU A 120 -14.305 5.907 -10.948 1.00 1.34 H new ATOM 0 HB3 GLU A 120 -13.667 7.163 -11.989 1.00 1.34 H new ATOM 0 HG2 GLU A 120 -14.722 5.779 -13.557 1.00 1.85 H new ATOM 0 HG3 GLU A 120 -13.082 5.166 -13.624 1.00 1.85 H new ATOM 1795 N TRP A 121 -10.588 7.597 -11.254 1.00 0.92 N ATOM 1796 CA TRP A 121 -9.688 8.574 -11.843 1.00 0.99 C ATOM 1797 C TRP A 121 -8.255 8.076 -11.646 1.00 0.89 C ATOM 1798 O TRP A 121 -7.312 8.662 -12.176 1.00 0.98 O ATOM 1799 CB TRP A 121 -9.925 9.965 -11.251 1.00 1.15 C ATOM 1800 CG TRP A 121 -9.574 10.077 -9.766 1.00 0.97 C ATOM 1801 CD1 TRP A 121 -8.424 10.496 -9.220 1.00 0.97 C ATOM 1802 CD2 TRP A 121 -10.430 9.747 -8.653 1.00 0.85 C ATOM 1803 NE1 TRP A 121 -8.477 10.460 -7.842 1.00 0.85 N ATOM 1804 CE2 TRP A 121 -9.736 9.990 -7.486 1.00 0.76 C ATOM 1805 CE3 TRP A 121 -11.749 9.259 -8.633 1.00 0.88 C ATOM 1806 CZ2 TRP A 121 -10.277 9.775 -6.213 1.00 0.69 C ATOM 1807 CZ3 TRP A 121 -12.275 9.049 -7.352 1.00 0.82 C ATOM 1808 CH2 TRP A 121 -11.589 9.289 -6.168 1.00 0.72 C ATOM 0 H TRP A 121 -10.746 7.712 -10.253 1.00 0.92 H new ATOM 0 HA TRP A 121 -9.877 8.677 -12.912 1.00 0.99 H new ATOM 0 HB2 TRP A 121 -9.335 10.692 -11.809 1.00 1.15 H new ATOM 0 HB3 TRP A 121 -10.973 10.233 -11.387 1.00 1.15 H new ATOM 0 HD1 TRP A 121 -7.564 10.821 -9.787 1.00 0.97 H new ATOM 0 HE1 TRP A 121 -7.730 10.729 -7.202 1.00 0.85 H new ATOM 0 HE3 TRP A 121 -12.311 9.062 -9.534 1.00 0.88 H new ATOM 0 HZ2 TRP A 121 -9.713 9.973 -5.314 1.00 0.69 H new ATOM 0 HZ3 TRP A 121 -13.285 8.674 -7.280 1.00 0.82 H new ATOM 0 HH2 TRP A 121 -12.066 9.101 -5.217 1.00 0.72 H new ATOM 1819 N LEU A 122 -8.136 7.001 -10.881 1.00 0.78 N ATOM 1820 CA LEU A 122 -6.840 6.384 -10.653 1.00 0.74 C ATOM 1821 C LEU A 122 -6.681 5.181 -11.585 1.00 0.76 C ATOM 1822 O LEU A 122 -5.562 4.760 -11.875 1.00 1.03 O ATOM 1823 CB LEU A 122 -6.662 6.043 -9.172 1.00 0.66 C ATOM 1824 CG LEU A 122 -6.741 7.220 -8.198 1.00 0.78 C ATOM 1825 CD1 LEU A 122 -6.466 6.764 -6.764 1.00 0.94 C ATOM 1826 CD2 LEU A 122 -5.806 8.352 -8.629 1.00 0.81 C ATOM 0 H LEU A 122 -8.916 6.541 -10.411 1.00 0.78 H new ATOM 0 HA LEU A 122 -6.038 7.082 -10.894 1.00 0.74 H new ATOM 0 HB2 LEU A 122 -7.424 5.315 -8.893 1.00 0.66 H new ATOM 0 HB3 LEU A 122 -5.695 5.557 -9.045 1.00 0.66 H new ATOM 0 HG LEU A 122 -7.757 7.615 -8.221 1.00 0.78 H new ATOM 0 HD11 LEU A 122 -6.528 7.620 -6.092 1.00 0.94 H new ATOM 0 HD12 LEU A 122 -7.205 6.018 -6.471 1.00 0.94 H new ATOM 0 HD13 LEU A 122 -5.468 6.329 -6.706 1.00 0.94 H new ATOM 0 HD21 LEU A 122 -5.881 9.176 -7.920 1.00 0.81 H new ATOM 0 HD22 LEU A 122 -4.779 7.987 -8.653 1.00 0.81 H new ATOM 0 HD23 LEU A 122 -6.090 8.701 -9.622 1.00 0.81 H new ATOM 1838 N ASP A 123 -7.817 4.662 -12.028 1.00 0.70 N ATOM 1839 CA ASP A 123 -7.817 3.526 -12.933 1.00 0.75 C ATOM 1840 C ASP A 123 -7.096 3.909 -14.227 1.00 1.00 C ATOM 1841 O ASP A 123 -7.405 4.934 -14.833 1.00 2.55 O ATOM 1842 CB ASP A 123 -9.244 3.108 -13.292 1.00 0.76 C ATOM 1843 CG ASP A 123 -9.362 1.767 -14.019 1.00 0.85 C ATOM 1844 OD1 ASP A 123 -8.553 1.552 -14.947 1.00 2.05 O ATOM 1845 OD2 ASP A 123 -10.259 0.988 -13.631 1.00 1.85 O ATOM 0 H ASP A 123 -8.743 5.008 -11.777 1.00 0.70 H new ATOM 0 HA ASP A 123 -7.313 2.698 -12.434 1.00 0.75 H new ATOM 0 HB2 ASP A 123 -9.834 3.061 -12.377 1.00 0.76 H new ATOM 0 HB3 ASP A 123 -9.687 3.883 -13.917 1.00 0.76 H new ATOM 1850 N GLY A 124 -6.150 3.066 -14.612 1.00 1.44 N ATOM 1851 CA GLY A 124 -5.387 3.300 -15.826 1.00 1.42 C ATOM 1852 C GLY A 124 -4.034 3.939 -15.508 1.00 1.56 C ATOM 1853 O GLY A 124 -3.129 3.932 -16.341 1.00 2.32 O ATOM 0 H GLY A 124 -5.894 2.219 -14.104 1.00 1.44 H new ATOM 0 HA2 GLY A 124 -5.234 2.357 -16.351 1.00 1.42 H new ATOM 0 HA3 GLY A 124 -5.952 3.949 -16.495 1.00 1.42 H new ATOM 1857 N LYS A 125 -3.938 4.476 -14.300 1.00 1.12 N ATOM 1858 CA LYS A 125 -2.707 5.110 -13.859 1.00 1.24 C ATOM 1859 C LYS A 125 -1.984 4.184 -12.879 1.00 1.17 C ATOM 1860 O LYS A 125 -0.788 3.936 -13.020 1.00 1.43 O ATOM 1861 CB LYS A 125 -2.995 6.501 -13.292 1.00 1.38 C ATOM 1862 CG LYS A 125 -3.418 7.468 -14.400 1.00 1.77 C ATOM 1863 CD LYS A 125 -4.535 8.396 -13.921 1.00 2.98 C ATOM 1864 CE LYS A 125 -4.034 9.338 -12.824 1.00 3.70 C ATOM 1865 NZ LYS A 125 -5.102 10.280 -12.421 1.00 5.14 N ATOM 0 H LYS A 125 -4.692 4.485 -13.613 1.00 1.12 H new ATOM 0 HA LYS A 125 -2.036 5.268 -14.703 1.00 1.24 H new ATOM 0 HB2 LYS A 125 -3.782 6.436 -12.541 1.00 1.38 H new ATOM 0 HB3 LYS A 125 -2.107 6.884 -12.790 1.00 1.38 H new ATOM 0 HG2 LYS A 125 -2.560 8.060 -14.718 1.00 1.77 H new ATOM 0 HG3 LYS A 125 -3.756 6.905 -15.270 1.00 1.77 H new ATOM 0 HD2 LYS A 125 -4.913 8.979 -14.761 1.00 2.98 H new ATOM 0 HD3 LYS A 125 -5.368 7.803 -13.543 1.00 2.98 H new ATOM 0 HE2 LYS A 125 -3.707 8.759 -11.960 1.00 3.70 H new ATOM 0 HE3 LYS A 125 -3.167 9.894 -13.182 1.00 3.70 H new ATOM 0 HZ1 LYS A 125 -4.761 10.878 -11.641 1.00 5.14 H new ATOM 0 HZ2 LYS A 125 -5.359 10.880 -13.231 1.00 5.14 H new ATOM 0 HZ3 LYS A 125 -5.937 9.745 -12.108 1.00 5.14 H new ATOM 1879 N HIS A 126 -2.742 3.697 -11.906 1.00 0.96 N ATOM 1880 CA HIS A 126 -2.188 2.805 -10.902 1.00 1.03 C ATOM 1881 C HIS A 126 -2.293 1.358 -11.388 1.00 1.01 C ATOM 1882 O HIS A 126 -3.181 1.024 -12.171 1.00 1.71 O ATOM 1883 CB HIS A 126 -2.864 3.026 -9.547 1.00 1.12 C ATOM 1884 CG HIS A 126 -2.684 4.418 -8.991 1.00 1.21 C ATOM 1885 ND1 HIS A 126 -1.778 5.323 -9.515 1.00 1.12 N ATOM 1886 CD2 HIS A 126 -3.302 5.049 -7.952 1.00 2.23 C ATOM 1887 CE1 HIS A 126 -1.856 6.446 -8.816 1.00 1.02 C ATOM 1888 NE2 HIS A 126 -2.801 6.274 -7.847 1.00 1.92 N ATOM 0 H HIS A 126 -3.734 3.904 -11.792 1.00 0.96 H new ATOM 0 HA HIS A 126 -1.131 3.027 -10.756 1.00 1.03 H new ATOM 0 HB2 HIS A 126 -3.930 2.821 -9.646 1.00 1.12 H new ATOM 0 HB3 HIS A 126 -2.466 2.306 -8.832 1.00 1.12 H new ATOM 0 HD1 HIS A 126 -1.156 5.154 -10.305 1.00 1.12 H new ATOM 0 HD2 HIS A 126 -4.069 4.624 -7.321 1.00 2.23 H new ATOM 0 HE1 HIS A 126 -1.274 7.340 -8.984 1.00 1.02 H new ATOM 1896 N VAL A 127 -1.373 0.537 -10.903 1.00 0.98 N ATOM 1897 CA VAL A 127 -1.369 -0.874 -11.252 1.00 0.89 C ATOM 1898 C VAL A 127 -2.124 -1.662 -10.179 1.00 0.90 C ATOM 1899 O VAL A 127 -1.808 -1.566 -8.995 1.00 1.30 O ATOM 1900 CB VAL A 127 0.067 -1.360 -11.450 1.00 1.08 C ATOM 1901 CG1 VAL A 127 0.107 -2.872 -11.681 1.00 1.18 C ATOM 1902 CG2 VAL A 127 0.745 -0.613 -12.600 1.00 1.05 C ATOM 0 H VAL A 127 -0.625 0.822 -10.271 1.00 0.98 H new ATOM 0 HA VAL A 127 -1.886 -1.035 -12.198 1.00 0.89 H new ATOM 0 HB VAL A 127 0.622 -1.145 -10.537 1.00 1.08 H new ATOM 0 HG11 VAL A 127 1.140 -3.192 -11.819 1.00 1.18 H new ATOM 0 HG12 VAL A 127 -0.319 -3.383 -10.818 1.00 1.18 H new ATOM 0 HG13 VAL A 127 -0.471 -3.120 -12.571 1.00 1.18 H new ATOM 0 HG21 VAL A 127 1.765 -0.978 -12.719 1.00 1.05 H new ATOM 0 HG22 VAL A 127 0.189 -0.782 -13.522 1.00 1.05 H new ATOM 0 HG23 VAL A 127 0.765 0.454 -12.379 1.00 1.05 H new ATOM 1912 N VAL A 128 -3.109 -2.423 -10.633 1.00 0.69 N ATOM 1913 CA VAL A 128 -3.836 -3.315 -9.746 1.00 0.79 C ATOM 1914 C VAL A 128 -3.265 -4.729 -9.873 1.00 0.86 C ATOM 1915 O VAL A 128 -3.269 -5.309 -10.958 1.00 0.91 O ATOM 1916 CB VAL A 128 -5.334 -3.246 -10.045 1.00 0.81 C ATOM 1917 CG1 VAL A 128 -6.115 -4.224 -9.166 1.00 1.15 C ATOM 1918 CG2 VAL A 128 -5.861 -1.819 -9.880 1.00 0.71 C ATOM 0 H VAL A 128 -3.421 -2.440 -11.604 1.00 0.69 H new ATOM 0 HA VAL A 128 -3.712 -3.006 -8.708 1.00 0.79 H new ATOM 0 HB VAL A 128 -5.481 -3.540 -11.084 1.00 0.81 H new ATOM 0 HG11 VAL A 128 -7.177 -4.154 -9.399 1.00 1.15 H new ATOM 0 HG12 VAL A 128 -5.768 -5.240 -9.355 1.00 1.15 H new ATOM 0 HG13 VAL A 128 -5.957 -3.976 -8.116 1.00 1.15 H new ATOM 0 HG21 VAL A 128 -6.929 -1.798 -10.099 1.00 0.71 H new ATOM 0 HG22 VAL A 128 -5.694 -1.485 -8.856 1.00 0.71 H new ATOM 0 HG23 VAL A 128 -5.337 -1.156 -10.568 1.00 0.71 H new ATOM 1928 N PHE A 129 -2.790 -5.245 -8.749 1.00 0.95 N ATOM 1929 CA PHE A 129 -2.032 -6.484 -8.755 1.00 0.97 C ATOM 1930 C PHE A 129 -2.478 -7.406 -7.619 1.00 1.18 C ATOM 1931 O PHE A 129 -1.791 -8.373 -7.293 1.00 1.48 O ATOM 1932 CB PHE A 129 -0.563 -6.111 -8.546 1.00 1.00 C ATOM 1933 CG PHE A 129 -0.280 -5.424 -7.208 1.00 1.60 C ATOM 1934 CD1 PHE A 129 -0.560 -4.103 -7.050 1.00 2.63 C ATOM 1935 CD2 PHE A 129 0.252 -6.135 -6.178 1.00 2.73 C ATOM 1936 CE1 PHE A 129 -0.297 -3.466 -5.808 1.00 3.43 C ATOM 1937 CE2 PHE A 129 0.515 -5.498 -4.937 1.00 3.51 C ATOM 1938 CZ PHE A 129 0.235 -4.177 -4.778 1.00 3.47 C ATOM 0 H PHE A 129 -2.916 -4.827 -7.827 1.00 0.95 H new ATOM 0 HA PHE A 129 -2.188 -7.010 -9.697 1.00 0.97 H new ATOM 0 HB2 PHE A 129 0.044 -7.014 -8.615 1.00 1.00 H new ATOM 0 HB3 PHE A 129 -0.247 -5.452 -9.355 1.00 1.00 H new ATOM 0 HD1 PHE A 129 -0.982 -3.538 -7.868 1.00 2.63 H new ATOM 0 HD2 PHE A 129 0.474 -7.184 -6.304 1.00 2.73 H new ATOM 0 HE1 PHE A 129 -0.520 -2.417 -5.682 1.00 3.43 H new ATOM 0 HE2 PHE A 129 0.938 -6.063 -4.119 1.00 3.51 H new ATOM 0 HZ PHE A 129 0.435 -3.692 -3.834 1.00 3.47 H new ATOM 1948 N GLY A 130 -3.627 -7.075 -7.048 1.00 1.09 N ATOM 1949 CA GLY A 130 -4.166 -7.852 -5.945 1.00 1.27 C ATOM 1950 C GLY A 130 -5.444 -7.214 -5.397 1.00 1.00 C ATOM 1951 O GLY A 130 -5.838 -6.133 -5.832 1.00 0.83 O ATOM 0 H GLY A 130 -4.200 -6.279 -7.329 1.00 1.09 H new ATOM 0 HA2 GLY A 130 -4.377 -8.867 -6.280 1.00 1.27 H new ATOM 0 HA3 GLY A 130 -3.423 -7.926 -5.151 1.00 1.27 H new ATOM 1955 N LYS A 131 -6.057 -7.911 -4.451 1.00 1.05 N ATOM 1956 CA LYS A 131 -7.256 -7.404 -3.807 1.00 0.88 C ATOM 1957 C LYS A 131 -7.196 -7.716 -2.310 1.00 0.77 C ATOM 1958 O LYS A 131 -6.397 -8.545 -1.877 1.00 0.83 O ATOM 1959 CB LYS A 131 -8.507 -7.948 -4.499 1.00 1.09 C ATOM 1960 CG LYS A 131 -8.681 -7.325 -5.885 1.00 2.35 C ATOM 1961 CD LYS A 131 -10.052 -7.669 -6.473 1.00 3.00 C ATOM 1962 CE LYS A 131 -11.158 -6.858 -5.796 1.00 4.07 C ATOM 1963 NZ LYS A 131 -12.031 -7.743 -4.992 1.00 4.18 N ATOM 0 H LYS A 131 -5.745 -8.822 -4.115 1.00 1.05 H new ATOM 0 HA LYS A 131 -7.312 -6.320 -3.905 1.00 0.88 H new ATOM 0 HB2 LYS A 131 -8.434 -9.032 -4.590 1.00 1.09 H new ATOM 0 HB3 LYS A 131 -9.385 -7.737 -3.889 1.00 1.09 H new ATOM 0 HG2 LYS A 131 -8.572 -6.243 -5.817 1.00 2.35 H new ATOM 0 HG3 LYS A 131 -7.896 -7.684 -6.550 1.00 2.35 H new ATOM 0 HD2 LYS A 131 -10.053 -7.468 -7.544 1.00 3.00 H new ATOM 0 HD3 LYS A 131 -10.248 -8.734 -6.348 1.00 3.00 H new ATOM 0 HE2 LYS A 131 -10.717 -6.094 -5.156 1.00 4.07 H new ATOM 0 HE3 LYS A 131 -11.751 -6.340 -6.550 1.00 4.07 H new ATOM 0 HZ1 LYS A 131 -12.777 -7.177 -4.539 1.00 4.18 H new ATOM 0 HZ2 LYS A 131 -12.466 -8.457 -5.611 1.00 4.18 H new ATOM 0 HZ3 LYS A 131 -11.465 -8.218 -4.261 1.00 4.18 H new ATOM 1977 N VAL A 132 -8.052 -7.036 -1.562 1.00 0.72 N ATOM 1978 CA VAL A 132 -8.164 -7.289 -0.135 1.00 0.67 C ATOM 1979 C VAL A 132 -9.217 -8.372 0.106 1.00 0.88 C ATOM 1980 O VAL A 132 -10.414 -8.090 0.105 1.00 1.30 O ATOM 1981 CB VAL A 132 -8.467 -5.984 0.605 1.00 0.58 C ATOM 1982 CG1 VAL A 132 -8.346 -6.172 2.119 1.00 0.66 C ATOM 1983 CG2 VAL A 132 -7.559 -4.854 0.118 1.00 0.80 C ATOM 0 H VAL A 132 -8.675 -6.310 -1.917 1.00 0.72 H new ATOM 0 HA VAL A 132 -7.220 -7.661 0.262 1.00 0.67 H new ATOM 0 HB VAL A 132 -9.497 -5.704 0.383 1.00 0.58 H new ATOM 0 HG11 VAL A 132 -8.566 -5.230 2.621 1.00 0.66 H new ATOM 0 HG12 VAL A 132 -9.053 -6.933 2.449 1.00 0.66 H new ATOM 0 HG13 VAL A 132 -7.332 -6.487 2.367 1.00 0.66 H new ATOM 0 HG21 VAL A 132 -7.795 -3.938 0.660 1.00 0.80 H new ATOM 0 HG22 VAL A 132 -6.517 -5.122 0.295 1.00 0.80 H new ATOM 0 HG23 VAL A 132 -7.716 -4.695 -0.949 1.00 0.80 H new ATOM 1993 N LYS A 133 -8.733 -9.589 0.308 1.00 1.08 N ATOM 1994 CA LYS A 133 -9.618 -10.715 0.552 1.00 1.26 C ATOM 1995 C LYS A 133 -10.327 -10.519 1.893 1.00 1.22 C ATOM 1996 O LYS A 133 -11.556 -10.538 1.959 1.00 2.24 O ATOM 1997 CB LYS A 133 -8.848 -12.033 0.450 1.00 1.49 C ATOM 1998 CG LYS A 133 -9.716 -13.211 0.898 1.00 1.93 C ATOM 1999 CD LYS A 133 -9.268 -13.733 2.265 1.00 2.39 C ATOM 2000 CE LYS A 133 -10.354 -14.603 2.902 1.00 3.61 C ATOM 2001 NZ LYS A 133 -9.966 -14.991 4.276 1.00 5.05 N ATOM 0 H LYS A 133 -7.739 -9.820 0.308 1.00 1.08 H new ATOM 0 HA LYS A 133 -10.392 -10.765 -0.214 1.00 1.26 H new ATOM 0 HB2 LYS A 133 -8.520 -12.188 -0.578 1.00 1.49 H new ATOM 0 HB3 LYS A 133 -7.951 -11.983 1.067 1.00 1.49 H new ATOM 0 HG2 LYS A 133 -10.760 -12.900 0.947 1.00 1.93 H new ATOM 0 HG3 LYS A 133 -9.656 -14.012 0.161 1.00 1.93 H new ATOM 0 HD2 LYS A 133 -8.351 -14.312 2.155 1.00 2.39 H new ATOM 0 HD3 LYS A 133 -9.038 -12.894 2.921 1.00 2.39 H new ATOM 0 HE2 LYS A 133 -11.298 -14.059 2.924 1.00 3.61 H new ATOM 0 HE3 LYS A 133 -10.515 -15.495 2.297 1.00 3.61 H new ATOM 0 HZ1 LYS A 133 -10.205 -15.991 4.435 1.00 5.05 H new ATOM 0 HZ2 LYS A 133 -8.942 -14.856 4.399 1.00 5.05 H new ATOM 0 HZ3 LYS A 133 -10.478 -14.400 4.961 1.00 5.05 H new ATOM 2015 N GLU A 134 -9.523 -10.336 2.930 1.00 0.83 N ATOM 2016 CA GLU A 134 -10.058 -10.168 4.271 1.00 0.79 C ATOM 2017 C GLU A 134 -9.226 -9.147 5.050 1.00 0.93 C ATOM 2018 O GLU A 134 -7.998 -9.166 4.990 1.00 1.67 O ATOM 2019 CB GLU A 134 -10.115 -11.506 5.010 1.00 0.95 C ATOM 2020 CG GLU A 134 -10.471 -11.304 6.484 1.00 2.30 C ATOM 2021 CD GLU A 134 -10.987 -12.602 7.107 1.00 2.34 C ATOM 2022 OE1 GLU A 134 -10.711 -13.666 6.512 1.00 2.16 O ATOM 2023 OE2 GLU A 134 -11.646 -12.502 8.165 1.00 3.61 O ATOM 0 H GLU A 134 -8.505 -10.300 2.869 1.00 0.83 H new ATOM 0 HA GLU A 134 -11.078 -9.791 4.190 1.00 0.79 H new ATOM 0 HB2 GLU A 134 -10.854 -12.154 4.539 1.00 0.95 H new ATOM 0 HB3 GLU A 134 -9.152 -12.011 4.931 1.00 0.95 H new ATOM 0 HG2 GLU A 134 -9.593 -10.959 7.030 1.00 2.30 H new ATOM 0 HG3 GLU A 134 -11.229 -10.526 6.575 1.00 2.30 H new ATOM 2030 N GLY A 135 -9.929 -8.279 5.762 1.00 0.73 N ATOM 2031 CA GLY A 135 -9.272 -7.246 6.544 1.00 0.82 C ATOM 2032 C GLY A 135 -9.908 -5.877 6.291 1.00 0.75 C ATOM 2033 O GLY A 135 -9.644 -4.922 7.018 1.00 0.90 O ATOM 0 H GLY A 135 -10.948 -8.270 5.814 1.00 0.73 H new ATOM 0 HA2 GLY A 135 -9.337 -7.491 7.604 1.00 0.82 H new ATOM 0 HA3 GLY A 135 -8.213 -7.211 6.290 1.00 0.82 H new ATOM 2037 N MET A 136 -10.734 -5.827 5.256 1.00 0.79 N ATOM 2038 CA MET A 136 -11.435 -4.601 4.917 1.00 0.86 C ATOM 2039 C MET A 136 -12.159 -4.027 6.136 1.00 0.82 C ATOM 2040 O MET A 136 -12.299 -2.812 6.266 1.00 0.91 O ATOM 2041 CB MET A 136 -12.449 -4.882 3.806 1.00 1.00 C ATOM 2042 CG MET A 136 -11.757 -4.988 2.446 1.00 1.37 C ATOM 2043 SD MET A 136 -10.995 -3.430 2.025 1.00 2.30 S ATOM 2044 CE MET A 136 -12.444 -2.484 1.587 1.00 1.26 C ATOM 0 H MET A 136 -10.933 -6.616 4.641 1.00 0.79 H new ATOM 0 HA MET A 136 -10.703 -3.869 4.576 1.00 0.86 H new ATOM 0 HB2 MET A 136 -12.981 -5.809 4.020 1.00 1.00 H new ATOM 0 HB3 MET A 136 -13.193 -4.086 3.778 1.00 1.00 H new ATOM 0 HG2 MET A 136 -11.004 -5.775 2.473 1.00 1.37 H new ATOM 0 HG3 MET A 136 -12.482 -5.266 1.681 1.00 1.37 H new ATOM 0 HE1 MET A 136 -12.149 -1.622 0.989 1.00 1.26 H new ATOM 0 HE2 MET A 136 -13.126 -3.109 1.010 1.00 1.26 H new ATOM 0 HE3 MET A 136 -12.944 -2.143 2.494 1.00 1.26 H new ATOM 2054 N ASN A 137 -12.601 -4.930 7.000 1.00 0.83 N ATOM 2055 CA ASN A 137 -13.303 -4.529 8.208 1.00 0.93 C ATOM 2056 C ASN A 137 -12.355 -3.729 9.102 1.00 0.91 C ATOM 2057 O ASN A 137 -12.754 -2.731 9.701 1.00 1.03 O ATOM 2058 CB ASN A 137 -13.782 -5.749 8.997 1.00 1.02 C ATOM 2059 CG ASN A 137 -14.544 -5.324 10.254 1.00 1.81 C ATOM 2060 OD1 ASN A 137 -15.742 -5.092 10.236 1.00 3.33 O ATOM 2061 ND2 ASN A 137 -13.785 -5.235 11.343 1.00 2.32 N ATOM 0 H ASN A 137 -12.487 -5.937 6.887 1.00 0.83 H new ATOM 0 HA ASN A 137 -14.164 -3.929 7.914 1.00 0.93 H new ATOM 0 HB2 ASN A 137 -14.425 -6.364 8.368 1.00 1.02 H new ATOM 0 HB3 ASN A 137 -12.927 -6.365 9.276 1.00 1.02 H new ATOM 0 HD21 ASN A 137 -14.200 -4.958 12.233 1.00 2.32 H new ATOM 0 HD22 ASN A 137 -12.788 -5.443 11.288 1.00 2.32 H new ATOM 2068 N ILE A 138 -11.117 -4.197 9.166 1.00 0.81 N ATOM 2069 CA ILE A 138 -10.112 -3.547 9.991 1.00 0.88 C ATOM 2070 C ILE A 138 -9.721 -2.213 9.353 1.00 0.95 C ATOM 2071 O ILE A 138 -9.485 -1.230 10.055 1.00 1.12 O ATOM 2072 CB ILE A 138 -8.928 -4.485 10.231 1.00 0.81 C ATOM 2073 CG1 ILE A 138 -9.379 -5.771 10.927 1.00 0.98 C ATOM 2074 CG2 ILE A 138 -7.814 -3.775 11.004 1.00 1.00 C ATOM 2075 CD1 ILE A 138 -9.763 -5.500 12.383 1.00 0.99 C ATOM 0 H ILE A 138 -10.787 -5.019 8.660 1.00 0.81 H new ATOM 0 HA ILE A 138 -10.516 -3.322 10.978 1.00 0.88 H new ATOM 0 HB ILE A 138 -8.517 -4.771 9.263 1.00 0.81 H new ATOM 0 HG12 ILE A 138 -10.230 -6.197 10.396 1.00 0.98 H new ATOM 0 HG13 ILE A 138 -8.578 -6.509 10.890 1.00 0.98 H new ATOM 0 HG21 ILE A 138 -6.984 -4.464 11.161 1.00 1.00 H new ATOM 0 HG22 ILE A 138 -7.467 -2.914 10.433 1.00 1.00 H new ATOM 0 HG23 ILE A 138 -8.196 -3.441 11.969 1.00 1.00 H new ATOM 0 HD11 ILE A 138 -10.080 -6.430 12.855 1.00 0.99 H new ATOM 0 HD12 ILE A 138 -8.903 -5.097 12.917 1.00 0.99 H new ATOM 0 HD13 ILE A 138 -10.581 -4.780 12.416 1.00 0.99 H new ATOM 2087 N VAL A 139 -9.663 -2.220 8.029 1.00 0.84 N ATOM 2088 CA VAL A 139 -9.341 -1.014 7.287 1.00 0.91 C ATOM 2089 C VAL A 139 -10.423 0.038 7.538 1.00 0.98 C ATOM 2090 O VAL A 139 -10.117 1.208 7.761 1.00 1.10 O ATOM 2091 CB VAL A 139 -9.160 -1.344 5.804 1.00 0.89 C ATOM 2092 CG1 VAL A 139 -9.098 -0.068 4.962 1.00 1.04 C ATOM 2093 CG2 VAL A 139 -7.918 -2.208 5.582 1.00 0.86 C ATOM 0 H VAL A 139 -9.834 -3.043 7.451 1.00 0.84 H new ATOM 0 HA VAL A 139 -8.395 -0.596 7.630 1.00 0.91 H new ATOM 0 HB VAL A 139 -10.029 -1.917 5.480 1.00 0.89 H new ATOM 0 HG11 VAL A 139 -8.969 -0.331 3.912 1.00 1.04 H new ATOM 0 HG12 VAL A 139 -10.024 0.494 5.084 1.00 1.04 H new ATOM 0 HG13 VAL A 139 -8.257 0.543 5.289 1.00 1.04 H new ATOM 0 HG21 VAL A 139 -7.813 -2.428 4.520 1.00 0.86 H new ATOM 0 HG22 VAL A 139 -7.035 -1.672 5.931 1.00 0.86 H new ATOM 0 HG23 VAL A 139 -8.019 -3.140 6.137 1.00 0.86 H new ATOM 2103 N GLU A 140 -11.667 -0.416 7.492 1.00 0.97 N ATOM 2104 CA GLU A 140 -12.795 0.464 7.744 1.00 1.06 C ATOM 2105 C GLU A 140 -12.722 1.028 9.165 1.00 1.14 C ATOM 2106 O GLU A 140 -12.913 2.226 9.372 1.00 1.14 O ATOM 2107 CB GLU A 140 -14.121 -0.263 7.511 1.00 1.07 C ATOM 2108 CG GLU A 140 -15.278 0.731 7.391 1.00 1.28 C ATOM 2109 CD GLU A 140 -15.873 1.048 8.764 1.00 2.68 C ATOM 2110 OE1 GLU A 140 -15.509 0.331 9.720 1.00 3.91 O ATOM 2111 OE2 GLU A 140 -16.679 2.002 8.826 1.00 3.55 O ATOM 0 H GLU A 140 -11.918 -1.382 7.284 1.00 0.97 H new ATOM 0 HA GLU A 140 -12.745 1.295 7.041 1.00 1.06 H new ATOM 0 HB2 GLU A 140 -14.056 -0.863 6.603 1.00 1.07 H new ATOM 0 HB3 GLU A 140 -14.312 -0.951 8.334 1.00 1.07 H new ATOM 0 HG2 GLU A 140 -14.926 1.650 6.923 1.00 1.28 H new ATOM 0 HG3 GLU A 140 -16.051 0.319 6.742 1.00 1.28 H new ATOM 2118 N ALA A 141 -12.444 0.139 10.107 1.00 1.25 N ATOM 2119 CA ALA A 141 -12.317 0.537 11.498 1.00 1.35 C ATOM 2120 C ALA A 141 -11.212 1.587 11.625 1.00 1.34 C ATOM 2121 O ALA A 141 -11.316 2.510 12.430 1.00 1.40 O ATOM 2122 CB ALA A 141 -12.050 -0.698 12.361 1.00 1.45 C ATOM 0 H ALA A 141 -12.303 -0.856 9.934 1.00 1.25 H new ATOM 0 HA ALA A 141 -13.243 0.989 11.853 1.00 1.35 H new ATOM 0 HB1 ALA A 141 -11.955 -0.399 13.405 1.00 1.45 H new ATOM 0 HB2 ALA A 141 -12.878 -1.399 12.259 1.00 1.45 H new ATOM 0 HB3 ALA A 141 -11.127 -1.177 12.035 1.00 1.45 H new ATOM 2128 N MET A 142 -10.177 1.411 10.816 1.00 1.33 N ATOM 2129 CA MET A 142 -9.056 2.335 10.823 1.00 1.35 C ATOM 2130 C MET A 142 -9.462 3.694 10.247 1.00 1.36 C ATOM 2131 O MET A 142 -9.140 4.735 10.818 1.00 1.62 O ATOM 2132 CB MET A 142 -7.909 1.752 9.995 1.00 1.41 C ATOM 2133 CG MET A 142 -6.555 2.078 10.629 1.00 1.60 C ATOM 2134 SD MET A 142 -5.257 1.913 9.415 1.00 1.43 S ATOM 2135 CE MET A 142 -5.626 0.283 8.786 1.00 2.15 C ATOM 0 H MET A 142 -10.092 0.642 10.151 1.00 1.33 H new ATOM 0 HA MET A 142 -8.735 2.480 11.854 1.00 1.35 H new ATOM 0 HB2 MET A 142 -8.026 0.671 9.915 1.00 1.41 H new ATOM 0 HB3 MET A 142 -7.946 2.153 8.982 1.00 1.41 H new ATOM 0 HG2 MET A 142 -6.565 3.093 11.027 1.00 1.60 H new ATOM 0 HG3 MET A 142 -6.367 1.409 11.468 1.00 1.60 H new ATOM 0 HE1 MET A 142 -4.733 -0.140 8.326 1.00 2.15 H new ATOM 0 HE2 MET A 142 -5.951 -0.358 9.605 1.00 2.15 H new ATOM 0 HE3 MET A 142 -6.420 0.351 8.042 1.00 2.15 H new ATOM 2145 N GLU A 143 -10.163 3.639 9.125 1.00 1.17 N ATOM 2146 CA GLU A 143 -10.566 4.853 8.435 1.00 1.17 C ATOM 2147 C GLU A 143 -11.552 5.648 9.292 1.00 1.34 C ATOM 2148 O GLU A 143 -11.574 6.877 9.242 1.00 1.46 O ATOM 2149 CB GLU A 143 -11.167 4.531 7.065 1.00 1.07 C ATOM 2150 CG GLU A 143 -10.075 4.424 5.999 1.00 1.41 C ATOM 2151 CD GLU A 143 -10.674 4.088 4.631 1.00 1.65 C ATOM 2152 OE1 GLU A 143 -11.666 4.755 4.267 1.00 1.92 O ATOM 2153 OE2 GLU A 143 -10.127 3.171 3.982 1.00 2.66 O ATOM 0 H GLU A 143 -10.462 2.773 8.676 1.00 1.17 H new ATOM 0 HA GLU A 143 -9.680 5.466 8.272 1.00 1.17 H new ATOM 0 HB2 GLU A 143 -11.721 3.594 7.118 1.00 1.07 H new ATOM 0 HB3 GLU A 143 -11.879 5.307 6.785 1.00 1.07 H new ATOM 0 HG2 GLU A 143 -9.527 5.364 5.939 1.00 1.41 H new ATOM 0 HG3 GLU A 143 -9.357 3.655 6.284 1.00 1.41 H new ATOM 2160 N ARG A 144 -12.345 4.915 10.060 1.00 1.45 N ATOM 2161 CA ARG A 144 -13.351 5.535 10.906 1.00 1.68 C ATOM 2162 C ARG A 144 -12.696 6.531 11.865 1.00 1.72 C ATOM 2163 O ARG A 144 -13.330 7.494 12.294 1.00 1.88 O ATOM 2164 CB ARG A 144 -14.114 4.485 11.715 1.00 1.78 C ATOM 2165 CG ARG A 144 -15.163 3.783 10.850 1.00 2.76 C ATOM 2166 CD ARG A 144 -16.519 4.486 10.954 1.00 3.24 C ATOM 2167 NE ARG A 144 -17.218 4.057 12.185 1.00 3.53 N ATOM 2168 CZ ARG A 144 -17.801 2.860 12.340 1.00 4.52 C ATOM 2169 NH1 ARG A 144 -17.803 1.980 11.329 1.00 5.25 N ATOM 2170 NH2 ARG A 144 -18.380 2.543 13.506 1.00 5.45 N ATOM 0 H ARG A 144 -12.311 3.897 10.114 1.00 1.45 H new ATOM 0 HA ARG A 144 -14.054 6.058 10.257 1.00 1.68 H new ATOM 0 HB2 ARG A 144 -13.415 3.750 12.114 1.00 1.78 H new ATOM 0 HB3 ARG A 144 -14.599 4.960 12.568 1.00 1.78 H new ATOM 0 HG2 ARG A 144 -14.834 3.771 9.811 1.00 2.76 H new ATOM 0 HG3 ARG A 144 -15.263 2.744 11.164 1.00 2.76 H new ATOM 0 HD2 ARG A 144 -16.378 5.567 10.964 1.00 3.24 H new ATOM 0 HD3 ARG A 144 -17.127 4.252 10.080 1.00 3.24 H new ATOM 0 HE ARG A 144 -17.259 4.713 12.965 1.00 3.53 H new ATOM 0 HH11 ARG A 144 -17.361 2.221 10.442 1.00 5.25 H new ATOM 0 HH12 ARG A 144 -18.247 1.069 11.447 1.00 5.25 H new ATOM 0 HH21 ARG A 144 -18.377 3.213 14.276 1.00 5.45 H new ATOM 0 HH22 ARG A 144 -18.824 1.632 13.624 1.00 5.45 H new ATOM 2184 N PHE A 145 -11.436 6.265 12.175 1.00 1.67 N ATOM 2185 CA PHE A 145 -10.689 7.123 13.079 1.00 1.77 C ATOM 2186 C PHE A 145 -9.607 7.901 12.328 1.00 1.53 C ATOM 2187 O PHE A 145 -8.570 8.237 12.898 1.00 1.55 O ATOM 2188 CB PHE A 145 -10.022 6.213 14.112 1.00 2.17 C ATOM 2189 CG PHE A 145 -10.969 5.714 15.205 1.00 2.74 C ATOM 2190 CD1 PHE A 145 -11.885 4.749 14.923 1.00 3.61 C ATOM 2191 CD2 PHE A 145 -10.896 6.236 16.459 1.00 3.39 C ATOM 2192 CE1 PHE A 145 -12.764 4.286 15.938 1.00 4.15 C ATOM 2193 CE2 PHE A 145 -11.774 5.773 17.474 1.00 3.97 C ATOM 2194 CZ PHE A 145 -12.690 4.808 17.192 1.00 3.98 C ATOM 0 H PHE A 145 -10.913 5.466 11.816 1.00 1.67 H new ATOM 0 HA PHE A 145 -11.360 7.844 13.546 1.00 1.77 H new ATOM 0 HB2 PHE A 145 -9.591 5.353 13.599 1.00 2.17 H new ATOM 0 HB3 PHE A 145 -9.198 6.753 14.578 1.00 2.17 H new ATOM 0 HD1 PHE A 145 -11.944 4.335 13.927 1.00 3.61 H new ATOM 0 HD2 PHE A 145 -10.170 7.003 16.683 1.00 3.39 H new ATOM 0 HE1 PHE A 145 -13.491 3.519 15.714 1.00 4.15 H new ATOM 0 HE2 PHE A 145 -11.715 6.187 18.470 1.00 3.97 H new ATOM 0 HZ PHE A 145 -13.359 4.456 17.964 1.00 3.98 H new ATOM 2204 N GLY A 146 -9.885 8.165 11.060 1.00 1.58 N ATOM 2205 CA GLY A 146 -8.970 8.939 10.238 1.00 1.40 C ATOM 2206 C GLY A 146 -9.516 10.346 9.985 1.00 1.19 C ATOM 2207 O GLY A 146 -10.596 10.691 10.460 1.00 1.81 O ATOM 0 H GLY A 146 -10.731 7.857 10.581 1.00 1.58 H new ATOM 0 HA2 GLY A 146 -8.000 9.005 10.731 1.00 1.40 H new ATOM 0 HA3 GLY A 146 -8.811 8.430 9.287 1.00 1.40 H new ATOM 2211 N SER A 147 -8.744 11.119 9.236 1.00 0.83 N ATOM 2212 CA SER A 147 -9.113 12.496 8.954 1.00 1.00 C ATOM 2213 C SER A 147 -8.293 13.027 7.776 1.00 1.55 C ATOM 2214 O SER A 147 -7.244 12.475 7.447 1.00 2.67 O ATOM 2215 CB SER A 147 -8.912 13.384 10.183 1.00 1.48 C ATOM 2216 OG SER A 147 -9.823 13.060 11.230 1.00 2.76 O ATOM 0 H SER A 147 -7.865 10.818 8.816 1.00 0.83 H new ATOM 0 HA SER A 147 -10.171 12.519 8.692 1.00 1.00 H new ATOM 0 HB2 SER A 147 -7.890 13.276 10.545 1.00 1.48 H new ATOM 0 HB3 SER A 147 -9.041 14.429 9.900 1.00 1.48 H new ATOM 0 HG SER A 147 -10.470 12.398 10.908 1.00 2.76 H new ATOM 2222 N ARG A 148 -8.802 14.092 7.174 1.00 1.66 N ATOM 2223 CA ARG A 148 -8.191 14.636 5.973 1.00 2.44 C ATOM 2224 C ARG A 148 -7.061 15.599 6.343 1.00 2.19 C ATOM 2225 O ARG A 148 -6.364 16.109 5.467 1.00 2.66 O ATOM 2226 CB ARG A 148 -9.222 15.374 5.117 1.00 3.33 C ATOM 2227 CG ARG A 148 -9.574 16.731 5.730 1.00 3.24 C ATOM 2228 CD ARG A 148 -10.785 17.351 5.030 1.00 4.18 C ATOM 2229 NE ARG A 148 -10.994 18.735 5.512 1.00 4.94 N ATOM 2230 CZ ARG A 148 -10.366 19.807 5.012 1.00 6.24 C ATOM 2231 NH1 ARG A 148 -9.383 19.650 4.115 1.00 6.83 N ATOM 2232 NH2 ARG A 148 -10.720 21.037 5.409 1.00 7.43 N ATOM 0 H ARG A 148 -9.631 14.593 7.495 1.00 1.66 H new ATOM 0 HA ARG A 148 -7.789 13.802 5.398 1.00 2.44 H new ATOM 0 HB2 ARG A 148 -8.829 15.517 4.110 1.00 3.33 H new ATOM 0 HB3 ARG A 148 -10.123 14.768 5.024 1.00 3.33 H new ATOM 0 HG2 ARG A 148 -9.786 16.610 6.792 1.00 3.24 H new ATOM 0 HG3 ARG A 148 -8.720 17.403 5.650 1.00 3.24 H new ATOM 0 HD2 ARG A 148 -10.631 17.352 3.951 1.00 4.18 H new ATOM 0 HD3 ARG A 148 -11.674 16.751 5.224 1.00 4.18 H new ATOM 0 HE ARG A 148 -11.658 18.881 6.272 1.00 4.94 H new ATOM 0 HH11 ARG A 148 -9.113 18.714 3.813 1.00 6.83 H new ATOM 0 HH12 ARG A 148 -8.905 20.467 3.734 1.00 6.83 H new ATOM 0 HH21 ARG A 148 -11.468 21.157 6.092 1.00 7.43 H new ATOM 0 HH22 ARG A 148 -10.242 21.853 5.028 1.00 7.43 H new ATOM 2246 N ASN A 149 -6.916 15.820 7.641 1.00 1.90 N ATOM 2247 CA ASN A 149 -5.894 16.728 8.136 1.00 2.32 C ATOM 2248 C ASN A 149 -4.548 16.001 8.176 1.00 2.46 C ATOM 2249 O ASN A 149 -3.521 16.606 8.478 1.00 3.32 O ATOM 2250 CB ASN A 149 -6.218 17.201 9.554 1.00 2.72 C ATOM 2251 CG ASN A 149 -6.370 16.014 10.507 1.00 2.65 C ATOM 2252 OD1 ASN A 149 -6.189 14.864 10.142 1.00 2.74 O ATOM 2253 ND2 ASN A 149 -6.713 16.355 11.746 1.00 3.42 N ATOM 0 H ASN A 149 -7.489 15.386 8.365 1.00 1.90 H new ATOM 0 HA ASN A 149 -5.856 17.589 7.469 1.00 2.32 H new ATOM 0 HB2 ASN A 149 -5.426 17.860 9.911 1.00 2.72 H new ATOM 0 HB3 ASN A 149 -7.138 17.785 9.545 1.00 2.72 H new ATOM 0 HD21 ASN A 149 -6.840 15.634 12.457 1.00 3.42 H new ATOM 0 HD22 ASN A 149 -6.849 17.337 11.986 1.00 3.42 H new ATOM 2260 N GLY A 150 -4.598 14.714 7.866 1.00 1.89 N ATOM 2261 CA GLY A 150 -3.390 13.908 7.824 1.00 2.31 C ATOM 2262 C GLY A 150 -3.019 13.403 9.220 1.00 2.35 C ATOM 2263 O GLY A 150 -1.840 13.249 9.536 1.00 3.16 O ATOM 0 H GLY A 150 -5.456 14.210 7.642 1.00 1.89 H new ATOM 0 HA2 GLY A 150 -3.537 13.061 7.154 1.00 2.31 H new ATOM 0 HA3 GLY A 150 -2.569 14.498 7.417 1.00 2.31 H new ATOM 2267 N LYS A 151 -4.047 13.159 10.019 1.00 2.16 N ATOM 2268 CA LYS A 151 -3.856 12.526 11.313 1.00 2.69 C ATOM 2269 C LYS A 151 -4.884 11.406 11.485 1.00 1.93 C ATOM 2270 O LYS A 151 -5.993 11.490 10.959 1.00 2.33 O ATOM 2271 CB LYS A 151 -3.893 13.570 12.431 1.00 4.14 C ATOM 2272 CG LYS A 151 -2.643 14.452 12.398 1.00 3.94 C ATOM 2273 CD LYS A 151 -2.929 15.783 11.700 1.00 4.86 C ATOM 2274 CE LYS A 151 -1.631 16.462 11.261 1.00 5.01 C ATOM 2275 NZ LYS A 151 -1.206 15.960 9.935 1.00 5.01 N ATOM 0 H LYS A 151 -5.015 13.388 9.795 1.00 2.16 H new ATOM 0 HA LYS A 151 -2.869 12.066 11.370 1.00 2.69 H new ATOM 0 HB2 LYS A 151 -4.783 14.190 12.325 1.00 4.14 H new ATOM 0 HB3 LYS A 151 -3.965 13.071 13.397 1.00 4.14 H new ATOM 0 HG2 LYS A 151 -2.298 14.638 13.415 1.00 3.94 H new ATOM 0 HG3 LYS A 151 -1.839 13.930 11.879 1.00 3.94 H new ATOM 0 HD2 LYS A 151 -3.566 15.613 10.832 1.00 4.86 H new ATOM 0 HD3 LYS A 151 -3.478 16.441 12.374 1.00 4.86 H new ATOM 0 HE2 LYS A 151 -1.775 17.542 11.219 1.00 5.01 H new ATOM 0 HE3 LYS A 151 -0.848 16.273 11.996 1.00 5.01 H new ATOM 0 HZ1 LYS A 151 -0.281 16.367 9.690 1.00 5.01 H new ATOM 0 HZ2 LYS A 151 -1.131 14.923 9.964 1.00 5.01 H new ATOM 0 HZ3 LYS A 151 -1.907 16.237 9.218 1.00 5.01 H new ATOM 2289 N THR A 152 -4.478 10.382 12.222 1.00 1.92 N ATOM 2290 CA THR A 152 -5.297 9.190 12.362 1.00 1.82 C ATOM 2291 C THR A 152 -5.131 8.590 13.759 1.00 3.01 C ATOM 2292 O THR A 152 -4.010 8.380 14.220 1.00 4.08 O ATOM 2293 CB THR A 152 -4.921 8.223 11.237 1.00 2.13 C ATOM 2294 OG1 THR A 152 -4.603 7.010 11.913 1.00 3.48 O ATOM 2295 CG2 THR A 152 -3.615 8.614 10.541 1.00 1.71 C ATOM 0 H THR A 152 -3.593 10.353 12.728 1.00 1.92 H new ATOM 0 HA THR A 152 -6.357 9.425 12.267 1.00 1.82 H new ATOM 0 HB THR A 152 -5.727 8.188 10.504 1.00 2.13 H new ATOM 0 HG1 THR A 152 -3.825 6.593 11.488 1.00 3.48 H new ATOM 0 HG21 THR A 152 -3.394 7.896 9.752 1.00 1.71 H new ATOM 0 HG22 THR A 152 -3.717 9.609 10.108 1.00 1.71 H new ATOM 0 HG23 THR A 152 -2.802 8.616 11.267 1.00 1.71 H new ATOM 2303 N SER A 153 -6.264 8.330 14.395 1.00 3.22 N ATOM 2304 CA SER A 153 -6.263 7.650 15.679 1.00 4.57 C ATOM 2305 C SER A 153 -4.950 7.926 16.416 1.00 3.56 C ATOM 2306 O SER A 153 -4.188 7.003 16.699 1.00 4.75 O ATOM 2307 CB SER A 153 -6.467 6.144 15.505 1.00 6.13 C ATOM 2308 OG SER A 153 -7.192 5.574 16.592 1.00 6.67 O ATOM 0 H SER A 153 -7.189 8.578 14.045 1.00 3.22 H new ATOM 0 HA SER A 153 -7.093 8.036 16.271 1.00 4.57 H new ATOM 0 HB2 SER A 153 -7.002 5.956 14.574 1.00 6.13 H new ATOM 0 HB3 SER A 153 -5.497 5.654 15.420 1.00 6.13 H new ATOM 0 HG SER A 153 -7.441 4.652 16.371 1.00 6.67 H new ATOM 2314 N LYS A 154 -4.727 9.199 16.705 1.00 2.18 N ATOM 2315 CA LYS A 154 -3.549 9.601 17.455 1.00 1.61 C ATOM 2316 C LYS A 154 -2.303 9.385 16.593 1.00 1.61 C ATOM 2317 O LYS A 154 -1.772 10.332 16.014 1.00 1.97 O ATOM 2318 CB LYS A 154 -3.498 8.877 18.801 1.00 1.69 C ATOM 2319 CG LYS A 154 -4.637 9.335 19.714 1.00 2.64 C ATOM 2320 CD LYS A 154 -4.846 8.351 20.866 1.00 2.91 C ATOM 2321 CE LYS A 154 -4.174 8.852 22.145 1.00 3.90 C ATOM 2322 NZ LYS A 154 -2.701 8.794 22.014 1.00 5.13 N ATOM 0 H LYS A 154 -5.342 9.966 16.433 1.00 2.18 H new ATOM 0 HA LYS A 154 -3.593 10.664 17.693 1.00 1.61 H new ATOM 0 HB2 LYS A 154 -3.565 7.801 18.642 1.00 1.69 H new ATOM 0 HB3 LYS A 154 -2.540 9.068 19.285 1.00 1.69 H new ATOM 0 HG2 LYS A 154 -4.413 10.324 20.112 1.00 2.64 H new ATOM 0 HG3 LYS A 154 -5.557 9.425 19.136 1.00 2.64 H new ATOM 0 HD2 LYS A 154 -5.913 8.213 21.042 1.00 2.91 H new ATOM 0 HD3 LYS A 154 -4.439 7.377 20.595 1.00 2.91 H new ATOM 0 HE2 LYS A 154 -4.487 9.876 22.350 1.00 3.90 H new ATOM 0 HE3 LYS A 154 -4.494 8.245 22.992 1.00 3.90 H new ATOM 0 HZ1 LYS A 154 -2.271 8.719 22.958 1.00 5.13 H new ATOM 0 HZ2 LYS A 154 -2.435 7.965 21.445 1.00 5.13 H new ATOM 0 HZ3 LYS A 154 -2.360 9.658 21.546 1.00 5.13 H new ATOM 2336 N LYS A 155 -1.873 8.133 16.534 1.00 1.37 N ATOM 2337 CA LYS A 155 -0.624 7.802 15.870 1.00 1.46 C ATOM 2338 C LYS A 155 -0.598 6.304 15.561 1.00 1.23 C ATOM 2339 O LYS A 155 -0.148 5.505 16.381 1.00 1.45 O ATOM 2340 CB LYS A 155 0.568 8.279 16.702 1.00 1.78 C ATOM 2341 CG LYS A 155 1.214 9.517 16.075 1.00 2.89 C ATOM 2342 CD LYS A 155 1.812 10.427 17.149 1.00 3.76 C ATOM 2343 CE LYS A 155 0.726 11.274 17.817 1.00 5.24 C ATOM 2344 NZ LYS A 155 0.104 12.188 16.833 1.00 6.99 N ATOM 0 H LYS A 155 -2.367 7.336 16.935 1.00 1.37 H new ATOM 0 HA LYS A 155 -0.548 8.326 14.917 1.00 1.46 H new ATOM 0 HB2 LYS A 155 0.240 8.510 17.715 1.00 1.78 H new ATOM 0 HB3 LYS A 155 1.305 7.480 16.780 1.00 1.78 H new ATOM 0 HG2 LYS A 155 1.994 9.211 15.377 1.00 2.89 H new ATOM 0 HG3 LYS A 155 0.470 10.068 15.500 1.00 2.89 H new ATOM 0 HD2 LYS A 155 2.321 9.823 17.900 1.00 3.76 H new ATOM 0 HD3 LYS A 155 2.563 11.079 16.702 1.00 3.76 H new ATOM 0 HE2 LYS A 155 -0.035 10.625 18.251 1.00 5.24 H new ATOM 0 HE3 LYS A 155 1.158 11.850 18.635 1.00 5.24 H new ATOM 0 HZ1 LYS A 155 -0.263 13.028 17.324 1.00 6.99 H new ATOM 0 HZ2 LYS A 155 0.815 12.480 16.132 1.00 6.99 H new ATOM 0 HZ3 LYS A 155 -0.677 11.699 16.351 1.00 6.99 H new ATOM 2358 N ILE A 156 -1.085 5.968 14.376 1.00 1.43 N ATOM 2359 CA ILE A 156 -1.093 4.583 13.935 1.00 1.27 C ATOM 2360 C ILE A 156 0.275 4.231 13.347 1.00 1.28 C ATOM 2361 O ILE A 156 0.853 5.016 12.597 1.00 1.57 O ATOM 2362 CB ILE A 156 -2.258 4.334 12.974 1.00 1.44 C ATOM 2363 CG1 ILE A 156 -3.596 4.660 13.639 1.00 1.89 C ATOM 2364 CG2 ILE A 156 -2.222 2.905 12.429 1.00 1.68 C ATOM 2365 CD1 ILE A 156 -4.766 4.145 12.798 1.00 1.72 C ATOM 0 H ILE A 156 -1.477 6.631 13.707 1.00 1.43 H new ATOM 0 HA ILE A 156 -1.258 3.915 14.780 1.00 1.27 H new ATOM 0 HB ILE A 156 -2.149 5.006 12.123 1.00 1.44 H new ATOM 0 HG12 ILE A 156 -3.632 4.211 14.632 1.00 1.89 H new ATOM 0 HG13 ILE A 156 -3.687 5.738 13.773 1.00 1.89 H new ATOM 0 HG21 ILE A 156 -3.060 2.754 11.749 1.00 1.68 H new ATOM 0 HG22 ILE A 156 -1.286 2.743 11.894 1.00 1.68 H new ATOM 0 HG23 ILE A 156 -2.294 2.198 13.256 1.00 1.68 H new ATOM 0 HD11 ILE A 156 -5.706 4.390 13.293 1.00 1.72 H new ATOM 0 HD12 ILE A 156 -4.741 4.614 11.814 1.00 1.72 H new ATOM 0 HD13 ILE A 156 -4.686 3.064 12.686 1.00 1.72 H new ATOM 2377 N THR A 157 0.754 3.050 13.711 1.00 1.11 N ATOM 2378 CA THR A 157 2.039 2.582 13.223 1.00 1.23 C ATOM 2379 C THR A 157 1.950 1.110 12.814 1.00 1.07 C ATOM 2380 O THR A 157 1.105 0.372 13.318 1.00 0.92 O ATOM 2381 CB THR A 157 3.083 2.848 14.310 1.00 1.40 C ATOM 2382 OG1 THR A 157 2.561 2.189 15.461 1.00 1.35 O ATOM 2383 CG2 THR A 157 3.141 4.321 14.718 1.00 1.78 C ATOM 0 H THR A 157 0.275 2.404 14.338 1.00 1.11 H new ATOM 0 HA THR A 157 2.340 3.120 12.324 1.00 1.23 H new ATOM 0 HB THR A 157 4.064 2.531 13.957 1.00 1.40 H new ATOM 0 HG1 THR A 157 3.177 2.309 16.214 1.00 1.35 H new ATOM 0 HG21 THR A 157 3.897 4.455 15.491 1.00 1.78 H new ATOM 0 HG22 THR A 157 3.398 4.929 13.850 1.00 1.78 H new ATOM 0 HG23 THR A 157 2.169 4.630 15.103 1.00 1.78 H new ATOM 2391 N ILE A 158 2.833 0.728 11.903 1.00 1.18 N ATOM 2392 CA ILE A 158 2.959 -0.669 11.522 1.00 1.10 C ATOM 2393 C ILE A 158 3.576 -1.455 12.680 1.00 1.12 C ATOM 2394 O ILE A 158 4.711 -1.195 13.077 1.00 1.18 O ATOM 2395 CB ILE A 158 3.733 -0.799 10.209 1.00 1.19 C ATOM 2396 CG1 ILE A 158 3.072 0.022 9.100 1.00 1.49 C ATOM 2397 CG2 ILE A 158 3.900 -2.267 9.814 1.00 1.19 C ATOM 2398 CD1 ILE A 158 1.957 -0.774 8.419 1.00 1.98 C ATOM 0 H ILE A 158 3.468 1.361 11.417 1.00 1.18 H new ATOM 0 HA ILE A 158 1.977 -1.101 11.330 1.00 1.10 H new ATOM 0 HB ILE A 158 4.733 -0.391 10.359 1.00 1.19 H new ATOM 0 HG12 ILE A 158 2.664 0.942 9.518 1.00 1.49 H new ATOM 0 HG13 ILE A 158 3.820 0.312 8.362 1.00 1.49 H new ATOM 0 HG21 ILE A 158 4.454 -2.331 8.877 1.00 1.19 H new ATOM 0 HG22 ILE A 158 4.447 -2.794 10.596 1.00 1.19 H new ATOM 0 HG23 ILE A 158 2.918 -2.724 9.687 1.00 1.19 H new ATOM 0 HD11 ILE A 158 1.504 -0.168 7.635 1.00 1.98 H new ATOM 0 HD12 ILE A 158 2.373 -1.681 7.981 1.00 1.98 H new ATOM 0 HD13 ILE A 158 1.199 -1.041 9.155 1.00 1.98 H new ATOM 2410 N ALA A 159 2.801 -2.401 13.191 1.00 1.17 N ATOM 2411 CA ALA A 159 3.252 -3.217 14.306 1.00 1.26 C ATOM 2412 C ALA A 159 4.320 -4.196 13.816 1.00 1.24 C ATOM 2413 O ALA A 159 5.445 -4.194 14.315 1.00 1.38 O ATOM 2414 CB ALA A 159 2.052 -3.929 14.935 1.00 1.31 C ATOM 0 H ALA A 159 1.864 -2.621 12.853 1.00 1.17 H new ATOM 0 HA ALA A 159 3.704 -2.596 15.079 1.00 1.26 H new ATOM 0 HB1 ALA A 159 2.390 -4.541 15.771 1.00 1.31 H new ATOM 0 HB2 ALA A 159 1.336 -3.189 15.293 1.00 1.31 H new ATOM 0 HB3 ALA A 159 1.574 -4.565 14.189 1.00 1.31 H new ATOM 2420 N ASP A 160 3.932 -5.010 12.846 1.00 1.11 N ATOM 2421 CA ASP A 160 4.842 -5.993 12.284 1.00 1.12 C ATOM 2422 C ASP A 160 4.376 -6.367 10.875 1.00 1.09 C ATOM 2423 O ASP A 160 3.219 -6.148 10.522 1.00 1.05 O ATOM 2424 CB ASP A 160 4.866 -7.269 13.128 1.00 1.16 C ATOM 2425 CG ASP A 160 5.554 -7.131 14.488 1.00 2.08 C ATOM 2426 OD1 ASP A 160 6.728 -6.702 14.490 1.00 3.23 O ATOM 2427 OD2 ASP A 160 4.890 -7.458 15.495 1.00 2.86 O ATOM 0 H ASP A 160 2.999 -5.009 12.434 1.00 1.11 H new ATOM 0 HA ASP A 160 5.840 -5.555 12.265 1.00 1.12 H new ATOM 0 HB2 ASP A 160 3.840 -7.600 13.288 1.00 1.16 H new ATOM 0 HB3 ASP A 160 5.369 -8.053 12.561 1.00 1.16 H new ATOM 2432 N CYS A 161 5.302 -6.925 10.109 1.00 1.22 N ATOM 2433 CA CYS A 161 5.016 -7.283 8.730 1.00 1.33 C ATOM 2434 C CYS A 161 4.957 -8.809 8.632 1.00 1.21 C ATOM 2435 O CYS A 161 5.463 -9.510 9.507 1.00 1.41 O ATOM 2436 CB CYS A 161 6.044 -6.689 7.766 1.00 1.65 C ATOM 2437 SG CYS A 161 6.113 -4.871 7.967 1.00 2.17 S ATOM 0 H CYS A 161 6.251 -7.138 10.417 1.00 1.22 H new ATOM 0 HA CYS A 161 4.054 -6.863 8.435 1.00 1.33 H new ATOM 0 HB2 CYS A 161 7.026 -7.122 7.957 1.00 1.65 H new ATOM 0 HB3 CYS A 161 5.779 -6.940 6.739 1.00 1.65 H new ATOM 0 HG CYS A 161 7.043 -4.385 7.200 1.00 2.17 H new ATOM 2443 N GLY A 162 4.334 -9.278 7.561 1.00 1.38 N ATOM 2444 CA GLY A 162 4.002 -10.687 7.445 1.00 1.95 C ATOM 2445 C GLY A 162 4.903 -11.381 6.422 1.00 1.34 C ATOM 2446 O GLY A 162 6.037 -11.744 6.732 1.00 2.79 O ATOM 0 H GLY A 162 4.050 -8.706 6.765 1.00 1.38 H new ATOM 0 HA2 GLY A 162 4.109 -11.170 8.416 1.00 1.95 H new ATOM 0 HA3 GLY A 162 2.959 -10.795 7.148 1.00 1.95 H new ATOM 2450 N GLN A 163 4.365 -11.545 5.222 1.00 1.99 N ATOM 2451 CA GLN A 163 5.029 -12.345 4.207 1.00 1.83 C ATOM 2452 C GLN A 163 4.801 -13.834 4.471 1.00 1.86 C ATOM 2453 O GLN A 163 5.521 -14.447 5.258 1.00 2.11 O ATOM 2454 CB GLN A 163 6.523 -12.021 4.145 1.00 2.72 C ATOM 2455 CG GLN A 163 7.111 -12.401 2.785 1.00 3.43 C ATOM 2456 CD GLN A 163 8.482 -13.062 2.945 1.00 3.83 C ATOM 2457 OE1 GLN A 163 9.521 -12.445 2.775 1.00 4.77 O ATOM 2458 NE2 GLN A 163 8.427 -14.347 3.282 1.00 3.84 N ATOM 0 H GLN A 163 3.477 -11.137 4.930 1.00 1.99 H new ATOM 0 HA GLN A 163 4.597 -12.098 3.237 1.00 1.83 H new ATOM 0 HB2 GLN A 163 6.676 -10.957 4.327 1.00 2.72 H new ATOM 0 HB3 GLN A 163 7.048 -12.558 4.935 1.00 2.72 H new ATOM 0 HG2 GLN A 163 6.433 -13.081 2.269 1.00 3.43 H new ATOM 0 HG3 GLN A 163 7.203 -11.511 2.163 1.00 3.43 H new ATOM 0 HE21 GLN A 163 7.523 -14.803 3.409 1.00 3.84 H new ATOM 0 HE22 GLN A 163 9.288 -14.877 3.414 1.00 3.84 H new ATOM 2467 N LEU A 164 3.796 -14.374 3.797 1.00 1.74 N ATOM 2468 CA LEU A 164 3.466 -15.782 3.946 1.00 1.94 C ATOM 2469 C LEU A 164 4.159 -16.583 2.843 1.00 2.39 C ATOM 2470 O LEU A 164 3.585 -16.806 1.778 1.00 2.45 O ATOM 2471 CB LEU A 164 1.949 -15.975 3.986 1.00 1.73 C ATOM 2472 CG LEU A 164 1.194 -15.150 5.030 1.00 1.42 C ATOM 2473 CD1 LEU A 164 -0.191 -14.751 4.518 1.00 1.63 C ATOM 2474 CD2 LEU A 164 1.119 -15.893 6.366 1.00 1.25 C ATOM 0 H LEU A 164 3.200 -13.862 3.147 1.00 1.74 H new ATOM 0 HA LEU A 164 3.838 -16.162 4.898 1.00 1.94 H new ATOM 0 HB2 LEU A 164 1.546 -15.735 3.002 1.00 1.73 H new ATOM 0 HB3 LEU A 164 1.742 -17.030 4.167 1.00 1.73 H new ATOM 0 HG LEU A 164 1.750 -14.229 5.204 1.00 1.42 H new ATOM 0 HD11 LEU A 164 -0.706 -14.166 5.280 1.00 1.63 H new ATOM 0 HD12 LEU A 164 -0.086 -14.155 3.612 1.00 1.63 H new ATOM 0 HD13 LEU A 164 -0.770 -15.648 4.297 1.00 1.63 H new ATOM 0 HD21 LEU A 164 0.577 -15.285 7.091 1.00 1.25 H new ATOM 0 HD22 LEU A 164 0.599 -16.841 6.227 1.00 1.25 H new ATOM 0 HD23 LEU A 164 2.127 -16.083 6.734 1.00 1.25 H new ATOM 2486 N GLU A 165 5.385 -16.994 3.135 1.00 2.95 N ATOM 2487 CA GLU A 165 6.182 -17.722 2.162 1.00 3.50 C ATOM 2488 C GLU A 165 5.475 -19.018 1.760 1.00 3.57 C ATOM 2489 O GLU A 165 5.288 -19.284 0.574 1.00 4.22 O ATOM 2490 CB GLU A 165 7.583 -18.007 2.705 1.00 4.13 C ATOM 2491 CG GLU A 165 8.605 -18.090 1.569 1.00 5.36 C ATOM 2492 CD GLU A 165 9.119 -16.699 1.192 1.00 6.39 C ATOM 2493 OE1 GLU A 165 9.943 -16.169 1.968 1.00 7.30 O ATOM 2494 OE2 GLU A 165 8.677 -16.198 0.136 1.00 6.78 O ATOM 0 H GLU A 165 5.845 -16.837 4.031 1.00 2.95 H new ATOM 0 HA GLU A 165 6.292 -17.101 1.273 1.00 3.50 H new ATOM 0 HB2 GLU A 165 7.873 -17.222 3.403 1.00 4.13 H new ATOM 0 HB3 GLU A 165 7.577 -18.943 3.263 1.00 4.13 H new ATOM 0 HG2 GLU A 165 9.441 -18.721 1.872 1.00 5.36 H new ATOM 0 HG3 GLU A 165 8.149 -18.562 0.698 1.00 5.36 H new