USER MOD reduce.3.24.130724 H: found=0, std=0, add=1443, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1445 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 74 ASN : amide:sc= -0.0505 K(o=0.45,f=-6.7!) USER MOD Set 1.2: B 85 LYS NZ :NH3+ 174:sc= 0.496 (180deg=0) USER MOD Set 2.1: A 85 LYS NZ :NH3+ 154:sc= 1.16 (180deg=0) USER MOD Set 2.2: B 74 ASN : amide:sc= 2.82 K(o=4,f=-5.9!) USER MOD Set 3.1: B 36 ASN : amide:sc= 2.06 K(o=4.2,f=-9.2!) USER MOD Set 3.2: B 39 LYS NZ :NH3+ -167:sc= 1.9 (180deg=0.637) USER MOD Set 3.3: B 67 GLN : amide:sc= 0.267 K(o=4.2,f=-8.9!) USER MOD Set 4.1: A 45 GLN : amide:sc= -0.623 K(o=-0.62,f=-2.3!) USER MOD Set 4.2: B 7 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 39 LYS NZ :NH3+ 175:sc= 1.14 (180deg=-0.234) USER MOD Set 5.2: A 43 THR OG1 : rot 50:sc= 0.979 USER MOD Set 6.1: A 36 ASN : amide:sc= 1.53 K(o=-0.94,f=-9!) USER MOD Set 6.2: A 67 GLN :FLIP amide:sc= -2.47! C(o=-2.3!,f=-0.94!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 71:sc= 1.04 USER MOD Single : A 15 THR OG1 : rot 136:sc= 1.25 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 92:sc= 0.181 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 1.16 K(o=1.2,f=-0.78) USER MOD Single : A 48 HIS :FLIP no HD1:sc= -0.744 F(o=-1.3,f=-0.74) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= -0.168 (180deg=-0.299) USER MOD Single : A 55 SER OG : rot 70:sc= -0.187 USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= 1.2 (180deg=0.542!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -148:sc= 2.31 (180deg=1.57) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00349 USER MOD Single : A 66 ASN : amide:sc= -0.0328 X(o=-0.033,f=-0.37) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 150:sc= 0.148! (180deg=-3.48!) USER MOD Single : A 76 TYR OH : rot 166:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -167:sc= 0.892 (180deg=0.655) USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00592) USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= 1.13 (180deg=0.957) USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= 2.13 (180deg=-0.898!) USER MOD Single : B 12 SER OG : rot -160:sc= -0.0975 USER MOD Single : B 15 THR OG1 : rot 92:sc= 1.23 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 80:sc= 1.28 USER MOD Single : B 22 THR OG1 : rot 77:sc= 1.08 USER MOD Single : B 30 LYS NZ :NH3+ -159:sc= 1.13 (180deg=0.708) USER MOD Single : B 32 SER OG : rot 170:sc= 0.215 USER MOD Single : B 34 SER OG : rot 75:sc= 1.24 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 GLN :FLIP amide:sc= -1.52 F(o=-2.7,f=-1.5) USER MOD Single : B 48 HIS : no HE2:sc= -0.337 K(o=-0.34,f=-5.2!) USER MOD Single : B 51 LYS NZ :NH3+ -171:sc= -0.188 (180deg=-0.333) USER MOD Single : B 55 SER OG : rot -120:sc= -0.428 USER MOD Single : B 59 LYS NZ :NH3+ -170:sc= 1.49 (180deg=0.834) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ -127:sc= 2.18 (180deg=-1.79) USER MOD Single : B 62 SER OG : rot 85:sc= 1.16 USER MOD Single : B 66 ASN : amide:sc= -0.28 K(o=-0.28,f=-1.4) USER MOD Single : B 69 SER OG : rot -35:sc= 0.229 USER MOD Single : B 72 LYS NZ :NH3+ -176:sc= 1.31 (180deg=1.26) USER MOD Single : B 76 TYR OH : rot 30:sc= -0.31 USER MOD Single : B 89 LYS NZ :NH3+ -166:sc= 0.62 (180deg=-0.39) USER MOD Single : B 90 LYS NZ :NH3+ -165:sc= 1.4 (180deg=1.11) USER MOD Single : B 91 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00677) USER MOD Single : B 94 LYS NZ :NH3+ 146:sc= 0.356 (180deg=-3.56!) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -14.064 -12.592 8.449 1.00 1.28 N ATOM 41 CA GLU A 4 -14.014 -11.501 7.481 1.00 1.38 C ATOM 42 C GLU A 4 -13.428 -12.101 6.197 1.00 1.63 C ATOM 43 O GLU A 4 -12.335 -12.671 6.253 1.00 1.93 O ATOM 44 CB GLU A 4 -13.155 -10.381 8.089 1.00 1.42 C ATOM 45 CG GLU A 4 -12.488 -9.381 7.133 1.00 2.18 C ATOM 46 CD GLU A 4 -13.476 -8.440 6.459 1.00 3.99 C ATOM 47 OE1 GLU A 4 -13.894 -7.468 7.127 1.00 4.90 O ATOM 48 OE2 GLU A 4 -13.817 -8.723 5.294 1.00 5.19 O ATOM 0 HA GLU A 4 -14.983 -11.063 7.244 1.00 1.38 H new ATOM 0 HB2 GLU A 4 -13.783 -9.816 8.778 1.00 1.42 H new ATOM 0 HB3 GLU A 4 -12.370 -10.848 8.684 1.00 1.42 H new ATOM 0 HG2 GLU A 4 -11.757 -8.792 7.687 1.00 2.18 H new ATOM 0 HG3 GLU A 4 -11.941 -9.931 6.367 1.00 2.18 H new ATOM 55 N PRO A 5 -14.158 -12.087 5.069 1.00 1.86 N ATOM 56 CA PRO A 5 -13.751 -12.784 3.864 1.00 2.37 C ATOM 57 C PRO A 5 -12.685 -11.956 3.147 1.00 2.42 C ATOM 58 O PRO A 5 -12.962 -11.243 2.182 1.00 2.60 O ATOM 59 CB PRO A 5 -15.036 -12.985 3.057 1.00 2.85 C ATOM 60 CG PRO A 5 -15.887 -11.781 3.450 1.00 2.69 C ATOM 61 CD PRO A 5 -15.464 -11.474 4.887 1.00 2.02 C ATOM 0 HA PRO A 5 -13.290 -13.755 4.044 1.00 2.37 H new ATOM 0 HB2 PRO A 5 -14.839 -13.006 1.985 1.00 2.85 H new ATOM 0 HB3 PRO A 5 -15.527 -13.925 3.309 1.00 2.85 H new ATOM 0 HG2 PRO A 5 -15.704 -10.932 2.791 1.00 2.69 H new ATOM 0 HG3 PRO A 5 -16.951 -12.009 3.388 1.00 2.69 H new ATOM 0 HD2 PRO A 5 -15.415 -10.398 5.056 1.00 2.02 H new ATOM 0 HD3 PRO A 5 -16.185 -11.877 5.599 1.00 2.02 H new ATOM 69 N LEU A 6 -11.444 -12.089 3.610 1.00 2.35 N ATOM 70 CA LEU A 6 -10.361 -11.214 3.203 1.00 2.34 C ATOM 71 C LEU A 6 -9.838 -11.644 1.830 1.00 2.39 C ATOM 72 O LEU A 6 -9.355 -12.758 1.647 1.00 3.12 O ATOM 73 CB LEU A 6 -9.256 -11.192 4.277 1.00 2.40 C ATOM 74 CG LEU A 6 -8.374 -12.450 4.428 1.00 2.51 C ATOM 75 CD1 LEU A 6 -7.364 -12.199 5.547 1.00 3.03 C ATOM 76 CD2 LEU A 6 -9.152 -13.728 4.771 1.00 2.89 C ATOM 0 H LEU A 6 -11.167 -12.808 4.278 1.00 2.35 H new ATOM 0 HA LEU A 6 -10.728 -10.192 3.108 1.00 2.34 H new ATOM 0 HB2 LEU A 6 -8.601 -10.347 4.066 1.00 2.40 H new ATOM 0 HB3 LEU A 6 -9.728 -10.997 5.240 1.00 2.40 H new ATOM 0 HG LEU A 6 -7.903 -12.616 3.459 1.00 2.51 H new ATOM 0 HD11 LEU A 6 -6.731 -13.078 5.669 1.00 3.03 H new ATOM 0 HD12 LEU A 6 -6.745 -11.338 5.293 1.00 3.03 H new ATOM 0 HD13 LEU A 6 -7.895 -12.002 6.479 1.00 3.03 H new ATOM 0 HD21 LEU A 6 -8.458 -14.564 4.859 1.00 2.89 H new ATOM 0 HD22 LEU A 6 -9.677 -13.591 5.716 1.00 2.89 H new ATOM 0 HD23 LEU A 6 -9.874 -13.937 3.982 1.00 2.89 H new ATOM 88 N THR A 7 -9.980 -10.751 0.852 1.00 1.74 N ATOM 89 CA THR A 7 -9.409 -10.906 -0.477 1.00 1.82 C ATOM 90 C THR A 7 -8.000 -10.297 -0.466 1.00 1.68 C ATOM 91 O THR A 7 -7.658 -9.557 0.456 1.00 1.56 O ATOM 92 CB THR A 7 -10.355 -10.217 -1.474 1.00 1.89 C ATOM 93 OG1 THR A 7 -11.671 -10.707 -1.298 1.00 2.20 O ATOM 94 CG2 THR A 7 -9.967 -10.450 -2.936 1.00 2.30 C ATOM 0 H THR A 7 -10.506 -9.885 0.967 1.00 1.74 H new ATOM 0 HA THR A 7 -9.310 -11.950 -0.776 1.00 1.82 H new ATOM 0 HB THR A 7 -10.286 -9.149 -1.268 1.00 1.89 H new ATOM 0 HG1 THR A 7 -12.272 -10.265 -1.933 1.00 2.20 H new ATOM 0 HG21 THR A 7 -10.675 -9.937 -3.587 1.00 2.30 H new ATOM 0 HG22 THR A 7 -8.964 -10.061 -3.113 1.00 2.30 H new ATOM 0 HG23 THR A 7 -9.985 -11.518 -3.151 1.00 2.30 H new ATOM 102 N GLU A 8 -7.185 -10.588 -1.481 1.00 1.76 N ATOM 103 CA GLU A 8 -5.786 -10.176 -1.594 1.00 1.72 C ATOM 104 C GLU A 8 -5.570 -8.711 -1.184 1.00 1.53 C ATOM 105 O GLU A 8 -4.618 -8.382 -0.473 1.00 1.49 O ATOM 106 CB GLU A 8 -5.232 -10.423 -3.016 1.00 1.95 C ATOM 107 CG GLU A 8 -6.111 -11.205 -4.010 1.00 1.66 C ATOM 108 CD GLU A 8 -6.406 -12.634 -3.574 1.00 2.48 C ATOM 109 OE1 GLU A 8 -5.558 -13.511 -3.836 1.00 4.04 O ATOM 110 OE2 GLU A 8 -7.492 -12.798 -2.973 1.00 3.15 O ATOM 0 H GLU A 8 -7.495 -11.141 -2.280 1.00 1.76 H new ATOM 0 HA GLU A 8 -5.230 -10.799 -0.894 1.00 1.72 H new ATOM 0 HB2 GLU A 8 -5.008 -9.453 -3.460 1.00 1.95 H new ATOM 0 HB3 GLU A 8 -4.286 -10.955 -2.918 1.00 1.95 H new ATOM 0 HG2 GLU A 8 -7.053 -10.674 -4.144 1.00 1.66 H new ATOM 0 HG3 GLU A 8 -5.616 -11.226 -4.981 1.00 1.66 H new ATOM 117 N LEU A 9 -6.449 -7.819 -1.652 1.00 1.43 N ATOM 118 CA LEU A 9 -6.339 -6.398 -1.374 1.00 1.26 C ATOM 119 C LEU A 9 -6.453 -6.172 0.136 1.00 1.21 C ATOM 120 O LEU A 9 -5.509 -5.677 0.756 1.00 1.25 O ATOM 121 CB LEU A 9 -7.413 -5.609 -2.136 1.00 1.24 C ATOM 122 CG LEU A 9 -7.233 -5.555 -3.667 1.00 1.27 C ATOM 123 CD1 LEU A 9 -5.881 -4.965 -4.055 1.00 2.26 C ATOM 124 CD2 LEU A 9 -7.492 -6.896 -4.374 1.00 2.23 C ATOM 0 H LEU A 9 -7.251 -8.068 -2.231 1.00 1.43 H new ATOM 0 HA LEU A 9 -5.369 -6.036 -1.715 1.00 1.26 H new ATOM 0 HB2 LEU A 9 -8.386 -6.048 -1.917 1.00 1.24 H new ATOM 0 HB3 LEU A 9 -7.430 -4.589 -1.753 1.00 1.24 H new ATOM 0 HG LEU A 9 -8.011 -4.882 -4.027 1.00 1.27 H new ATOM 0 HD11 LEU A 9 -5.792 -4.944 -5.141 1.00 2.26 H new ATOM 0 HD12 LEU A 9 -5.801 -3.951 -3.664 1.00 2.26 H new ATOM 0 HD13 LEU A 9 -5.083 -5.579 -3.637 1.00 2.26 H new ATOM 0 HD21 LEU A 9 -7.345 -6.776 -5.447 1.00 2.23 H new ATOM 0 HD22 LEU A 9 -6.799 -7.647 -3.995 1.00 2.23 H new ATOM 0 HD23 LEU A 9 -8.516 -7.217 -4.182 1.00 2.23 H new ATOM 136 N GLU A 10 -7.595 -6.570 0.717 1.00 1.17 N ATOM 137 CA GLU A 10 -7.811 -6.620 2.163 1.00 1.25 C ATOM 138 C GLU A 10 -6.554 -7.130 2.865 1.00 1.18 C ATOM 139 O GLU A 10 -5.982 -6.409 3.679 1.00 1.06 O ATOM 140 CB GLU A 10 -9.014 -7.523 2.505 1.00 1.73 C ATOM 141 CG GLU A 10 -10.265 -6.727 2.880 1.00 1.35 C ATOM 142 CD GLU A 10 -10.127 -6.000 4.211 1.00 1.78 C ATOM 143 OE1 GLU A 10 -9.283 -6.404 5.040 1.00 2.95 O ATOM 144 OE2 GLU A 10 -10.809 -4.970 4.418 1.00 2.35 O ATOM 0 H GLU A 10 -8.408 -6.871 0.180 1.00 1.17 H new ATOM 0 HA GLU A 10 -8.028 -5.611 2.513 1.00 1.25 H new ATOM 0 HB2 GLU A 10 -9.238 -8.161 1.650 1.00 1.73 H new ATOM 0 HB3 GLU A 10 -8.746 -8.180 3.332 1.00 1.73 H new ATOM 0 HG2 GLU A 10 -10.476 -6.001 2.095 1.00 1.35 H new ATOM 0 HG3 GLU A 10 -11.119 -7.403 2.927 1.00 1.35 H new ATOM 151 N GLU A 11 -6.110 -8.338 2.499 1.00 1.32 N ATOM 152 CA GLU A 11 -4.914 -8.971 3.043 1.00 1.39 C ATOM 153 C GLU A 11 -3.747 -7.979 3.067 1.00 1.21 C ATOM 154 O GLU A 11 -3.167 -7.703 4.117 1.00 1.14 O ATOM 155 CB GLU A 11 -4.558 -10.233 2.233 1.00 1.69 C ATOM 156 CG GLU A 11 -4.192 -11.427 3.129 1.00 1.60 C ATOM 157 CD GLU A 11 -3.094 -11.132 4.148 1.00 3.29 C ATOM 158 OE1 GLU A 11 -2.174 -10.356 3.807 1.00 4.56 O ATOM 159 OE2 GLU A 11 -3.205 -11.696 5.258 1.00 4.11 O ATOM 0 H GLU A 11 -6.586 -8.911 1.802 1.00 1.32 H new ATOM 0 HA GLU A 11 -5.115 -9.277 4.070 1.00 1.39 H new ATOM 0 HB2 GLU A 11 -5.403 -10.504 1.600 1.00 1.69 H new ATOM 0 HB3 GLU A 11 -3.722 -10.011 1.570 1.00 1.69 H new ATOM 0 HG2 GLU A 11 -5.086 -11.756 3.660 1.00 1.60 H new ATOM 0 HG3 GLU A 11 -3.873 -12.256 2.498 1.00 1.60 H new ATOM 166 N SER A 12 -3.438 -7.382 1.909 1.00 1.20 N ATOM 167 CA SER A 12 -2.274 -6.518 1.775 1.00 1.12 C ATOM 168 C SER A 12 -2.371 -5.386 2.795 1.00 0.96 C ATOM 169 O SER A 12 -1.398 -5.005 3.449 1.00 0.98 O ATOM 170 CB SER A 12 -2.203 -5.951 0.352 1.00 1.10 C ATOM 171 OG SER A 12 -2.204 -6.985 -0.611 1.00 1.40 O ATOM 0 H SER A 12 -3.984 -7.486 1.054 1.00 1.20 H new ATOM 0 HA SER A 12 -1.367 -7.093 1.961 1.00 1.12 H new ATOM 0 HB2 SER A 12 -3.051 -5.289 0.179 1.00 1.10 H new ATOM 0 HB3 SER A 12 -1.301 -5.349 0.242 1.00 1.10 H new ATOM 0 HG SER A 12 -3.089 -7.405 -0.639 1.00 1.40 H new ATOM 177 N ILE A 13 -3.580 -4.842 2.911 1.00 0.84 N ATOM 178 CA ILE A 13 -3.847 -3.677 3.720 1.00 0.68 C ATOM 179 C ILE A 13 -3.757 -4.034 5.201 1.00 0.64 C ATOM 180 O ILE A 13 -3.026 -3.371 5.942 1.00 0.62 O ATOM 181 CB ILE A 13 -5.204 -3.095 3.302 1.00 0.66 C ATOM 182 CG1 ILE A 13 -5.101 -2.633 1.842 1.00 0.85 C ATOM 183 CG2 ILE A 13 -5.699 -1.921 4.161 1.00 0.55 C ATOM 184 CD1 ILE A 13 -6.467 -2.622 1.198 1.00 0.79 C ATOM 0 H ILE A 13 -4.405 -5.209 2.437 1.00 0.84 H new ATOM 0 HA ILE A 13 -3.097 -2.902 3.559 1.00 0.68 H new ATOM 0 HB ILE A 13 -5.935 -3.892 3.441 1.00 0.66 H new ATOM 0 HG12 ILE A 13 -4.663 -1.636 1.799 1.00 0.85 H new ATOM 0 HG13 ILE A 13 -4.436 -3.297 1.289 1.00 0.85 H new ATOM 0 HG21 ILE A 13 -6.664 -1.579 3.788 1.00 0.55 H new ATOM 0 HG22 ILE A 13 -5.805 -2.246 5.196 1.00 0.55 H new ATOM 0 HG23 ILE A 13 -4.980 -1.104 4.109 1.00 0.55 H new ATOM 0 HD11 ILE A 13 -6.379 -2.292 0.163 1.00 0.79 H new ATOM 0 HD12 ILE A 13 -6.890 -3.626 1.224 1.00 0.79 H new ATOM 0 HD13 ILE A 13 -7.120 -1.939 1.742 1.00 0.79 H new ATOM 196 N GLU A 14 -4.488 -5.066 5.639 1.00 0.70 N ATOM 197 CA GLU A 14 -4.431 -5.490 7.026 1.00 0.77 C ATOM 198 C GLU A 14 -2.995 -5.854 7.413 1.00 0.81 C ATOM 199 O GLU A 14 -2.540 -5.511 8.504 1.00 0.81 O ATOM 200 CB GLU A 14 -5.445 -6.577 7.371 1.00 0.95 C ATOM 201 CG GLU A 14 -5.271 -7.903 6.638 1.00 1.49 C ATOM 202 CD GLU A 14 -5.840 -9.022 7.477 1.00 2.28 C ATOM 203 OE1 GLU A 14 -5.207 -9.381 8.495 1.00 3.30 O ATOM 204 OE2 GLU A 14 -6.930 -9.536 7.147 1.00 3.31 O ATOM 0 H GLU A 14 -5.118 -5.613 5.052 1.00 0.70 H new ATOM 0 HA GLU A 14 -4.733 -4.642 7.641 1.00 0.77 H new ATOM 0 HB2 GLU A 14 -5.395 -6.767 8.443 1.00 0.95 H new ATOM 0 HB3 GLU A 14 -6.444 -6.196 7.161 1.00 0.95 H new ATOM 0 HG2 GLU A 14 -5.776 -7.866 5.673 1.00 1.49 H new ATOM 0 HG3 GLU A 14 -4.215 -8.085 6.439 1.00 1.49 H new ATOM 211 N THR A 15 -2.266 -6.490 6.494 1.00 0.86 N ATOM 212 CA THR A 15 -0.865 -6.818 6.668 1.00 0.92 C ATOM 213 C THR A 15 -0.060 -5.552 6.966 1.00 0.87 C ATOM 214 O THR A 15 0.616 -5.502 7.991 1.00 0.94 O ATOM 215 CB THR A 15 -0.336 -7.661 5.493 1.00 0.99 C ATOM 216 OG1 THR A 15 -0.847 -8.970 5.650 1.00 1.38 O ATOM 217 CG2 THR A 15 1.193 -7.756 5.537 1.00 1.18 C ATOM 0 H THR A 15 -2.646 -6.793 5.597 1.00 0.86 H new ATOM 0 HA THR A 15 -0.742 -7.460 7.540 1.00 0.92 H new ATOM 0 HB THR A 15 -0.641 -7.202 4.552 1.00 0.99 H new ATOM 0 HG1 THR A 15 -1.165 -9.303 4.785 1.00 1.38 H new ATOM 0 HG21 THR A 15 1.545 -8.356 4.698 1.00 1.18 H new ATOM 0 HG22 THR A 15 1.622 -6.756 5.473 1.00 1.18 H new ATOM 0 HG23 THR A 15 1.502 -8.224 6.472 1.00 1.18 H new ATOM 225 N VAL A 16 -0.130 -4.504 6.137 1.00 0.81 N ATOM 226 CA VAL A 16 0.589 -3.273 6.438 1.00 0.79 C ATOM 227 C VAL A 16 0.215 -2.755 7.831 1.00 0.75 C ATOM 228 O VAL A 16 1.080 -2.564 8.691 1.00 0.80 O ATOM 229 CB VAL A 16 0.303 -2.216 5.360 1.00 0.75 C ATOM 230 CG1 VAL A 16 0.835 -0.857 5.814 1.00 0.74 C ATOM 231 CG2 VAL A 16 0.988 -2.588 4.044 1.00 0.86 C ATOM 0 H VAL A 16 -0.668 -4.487 5.270 1.00 0.81 H new ATOM 0 HA VAL A 16 1.659 -3.483 6.437 1.00 0.79 H new ATOM 0 HB VAL A 16 -0.775 -2.170 5.208 1.00 0.75 H new ATOM 0 HG11 VAL A 16 0.630 -0.111 5.046 1.00 0.74 H new ATOM 0 HG12 VAL A 16 0.345 -0.566 6.743 1.00 0.74 H new ATOM 0 HG13 VAL A 16 1.911 -0.923 5.977 1.00 0.74 H new ATOM 0 HG21 VAL A 16 0.773 -1.827 3.294 1.00 0.86 H new ATOM 0 HG22 VAL A 16 2.065 -2.650 4.199 1.00 0.86 H new ATOM 0 HG23 VAL A 16 0.615 -3.552 3.699 1.00 0.86 H new ATOM 241 N VAL A 17 -1.076 -2.493 8.043 1.00 0.68 N ATOM 242 CA VAL A 17 -1.514 -1.800 9.248 1.00 0.71 C ATOM 243 C VAL A 17 -1.189 -2.621 10.505 1.00 0.84 C ATOM 244 O VAL A 17 -0.837 -2.046 11.533 1.00 0.96 O ATOM 245 CB VAL A 17 -2.992 -1.376 9.153 1.00 0.65 C ATOM 246 CG1 VAL A 17 -3.272 -0.514 7.913 1.00 0.59 C ATOM 247 CG2 VAL A 17 -3.913 -2.594 9.156 1.00 0.64 C ATOM 0 H VAL A 17 -1.827 -2.748 7.401 1.00 0.68 H new ATOM 0 HA VAL A 17 -0.949 -0.872 9.337 1.00 0.71 H new ATOM 0 HB VAL A 17 -3.198 -0.769 10.035 1.00 0.65 H new ATOM 0 HG11 VAL A 17 -4.327 -0.240 7.891 1.00 0.59 H new ATOM 0 HG12 VAL A 17 -2.664 0.390 7.953 1.00 0.59 H new ATOM 0 HG13 VAL A 17 -3.024 -1.078 7.014 1.00 0.59 H new ATOM 0 HG21 VAL A 17 -4.950 -2.266 9.088 1.00 0.64 H new ATOM 0 HG22 VAL A 17 -3.677 -3.231 8.303 1.00 0.64 H new ATOM 0 HG23 VAL A 17 -3.770 -3.156 10.079 1.00 0.64 H new ATOM 257 N THR A 18 -1.266 -3.956 10.441 1.00 0.88 N ATOM 258 CA THR A 18 -0.860 -4.785 11.568 1.00 1.13 C ATOM 259 C THR A 18 0.664 -4.804 11.697 1.00 1.08 C ATOM 260 O THR A 18 1.166 -4.778 12.818 1.00 1.15 O ATOM 261 CB THR A 18 -1.494 -6.187 11.532 1.00 1.27 C ATOM 262 OG1 THR A 18 -1.535 -6.714 12.844 1.00 1.76 O ATOM 263 CG2 THR A 18 -0.753 -7.186 10.643 1.00 1.14 C ATOM 0 H THR A 18 -1.602 -4.474 9.629 1.00 0.88 H new ATOM 0 HA THR A 18 -1.251 -4.332 12.479 1.00 1.13 H new ATOM 0 HB THR A 18 -2.489 -6.055 11.108 1.00 1.27 H new ATOM 0 HG1 THR A 18 -1.940 -7.606 12.826 1.00 1.76 H new ATOM 0 HG21 THR A 18 -1.264 -8.148 10.673 1.00 1.14 H new ATOM 0 HG22 THR A 18 -0.735 -6.817 9.618 1.00 1.14 H new ATOM 0 HG23 THR A 18 0.269 -7.306 11.004 1.00 1.14 H new ATOM 271 N THR A 19 1.415 -4.829 10.589 1.00 1.00 N ATOM 272 CA THR A 19 2.874 -4.830 10.654 1.00 1.09 C ATOM 273 C THR A 19 3.373 -3.585 11.394 1.00 1.06 C ATOM 274 O THR A 19 4.304 -3.671 12.191 1.00 1.31 O ATOM 275 CB THR A 19 3.469 -4.985 9.250 1.00 1.08 C ATOM 276 OG1 THR A 19 3.096 -6.243 8.728 1.00 1.43 O ATOM 277 CG2 THR A 19 4.995 -4.947 9.262 1.00 1.26 C ATOM 0 H THR A 19 1.035 -4.849 9.643 1.00 1.00 H new ATOM 0 HA THR A 19 3.218 -5.689 11.230 1.00 1.09 H new ATOM 0 HB THR A 19 3.093 -4.157 8.650 1.00 1.08 H new ATOM 0 HG1 THR A 19 2.246 -6.159 8.248 1.00 1.43 H new ATOM 0 HG21 THR A 19 5.370 -5.061 8.245 1.00 1.26 H new ATOM 0 HG22 THR A 19 5.332 -3.993 9.668 1.00 1.26 H new ATOM 0 HG23 THR A 19 5.374 -5.760 9.881 1.00 1.26 H new ATOM 285 N PHE A 20 2.719 -2.435 11.190 1.00 0.92 N ATOM 286 CA PHE A 20 2.997 -1.239 11.985 1.00 1.03 C ATOM 287 C PHE A 20 2.932 -1.529 13.492 1.00 1.30 C ATOM 288 O PHE A 20 3.758 -1.034 14.255 1.00 1.44 O ATOM 289 CB PHE A 20 2.011 -0.118 11.642 1.00 1.00 C ATOM 290 CG PHE A 20 2.357 0.741 10.445 1.00 0.95 C ATOM 291 CD1 PHE A 20 2.952 0.205 9.286 1.00 1.81 C ATOM 292 CD2 PHE A 20 2.137 2.126 10.534 1.00 2.29 C ATOM 293 CE1 PHE A 20 3.376 1.060 8.255 1.00 2.07 C ATOM 294 CE2 PHE A 20 2.631 2.983 9.545 1.00 2.23 C ATOM 295 CZ PHE A 20 3.232 2.450 8.393 1.00 1.31 C ATOM 0 H PHE A 20 1.995 -2.310 10.482 1.00 0.92 H new ATOM 0 HA PHE A 20 4.010 -0.921 11.738 1.00 1.03 H new ATOM 0 HB2 PHE A 20 1.032 -0.565 11.470 1.00 1.00 H new ATOM 0 HB3 PHE A 20 1.916 0.531 12.512 1.00 1.00 H new ATOM 0 HD1 PHE A 20 3.082 -0.863 9.190 1.00 1.81 H new ATOM 0 HD2 PHE A 20 1.584 2.530 11.369 1.00 2.29 H new ATOM 0 HE1 PHE A 20 3.812 0.648 7.357 1.00 2.07 H new ATOM 0 HE2 PHE A 20 2.550 4.053 9.667 1.00 2.23 H new ATOM 0 HZ PHE A 20 3.583 3.109 7.613 1.00 1.31 H new ATOM 305 N PHE A 21 1.927 -2.295 13.929 1.00 1.41 N ATOM 306 CA PHE A 21 1.805 -2.700 15.322 1.00 1.66 C ATOM 307 C PHE A 21 2.930 -3.678 15.666 1.00 1.77 C ATOM 308 O PHE A 21 3.747 -3.392 16.544 1.00 2.05 O ATOM 309 CB PHE A 21 0.397 -3.265 15.593 1.00 1.70 C ATOM 310 CG PHE A 21 0.280 -4.261 16.735 1.00 1.36 C ATOM 311 CD1 PHE A 21 0.893 -4.008 17.979 1.00 2.29 C ATOM 312 CD2 PHE A 21 -0.384 -5.486 16.526 1.00 2.33 C ATOM 313 CE1 PHE A 21 0.873 -4.984 18.989 1.00 2.62 C ATOM 314 CE2 PHE A 21 -0.417 -6.455 17.542 1.00 3.05 C ATOM 315 CZ PHE A 21 0.216 -6.208 18.771 1.00 2.73 C ATOM 0 H PHE A 21 1.183 -2.647 13.327 1.00 1.41 H new ATOM 0 HA PHE A 21 1.917 -1.839 15.980 1.00 1.66 H new ATOM 0 HB2 PHE A 21 -0.273 -2.430 15.797 1.00 1.70 H new ATOM 0 HB3 PHE A 21 0.040 -3.745 14.682 1.00 1.70 H new ATOM 0 HD1 PHE A 21 1.380 -3.060 18.156 1.00 2.29 H new ATOM 0 HD2 PHE A 21 -0.869 -5.681 15.581 1.00 2.33 H new ATOM 0 HE1 PHE A 21 1.362 -4.794 19.933 1.00 2.62 H new ATOM 0 HE2 PHE A 21 -0.930 -7.391 17.378 1.00 3.05 H new ATOM 0 HZ PHE A 21 0.198 -6.958 19.548 1.00 2.73 H new ATOM 325 N THR A 22 2.999 -4.818 14.978 1.00 1.68 N ATOM 326 CA THR A 22 3.994 -5.837 15.287 1.00 1.95 C ATOM 327 C THR A 22 5.311 -5.473 14.590 1.00 2.17 C ATOM 328 O THR A 22 5.786 -6.151 13.683 1.00 2.31 O ATOM 329 CB THR A 22 3.439 -7.254 15.037 1.00 2.12 C ATOM 330 OG1 THR A 22 4.320 -8.213 15.587 1.00 2.80 O ATOM 331 CG2 THR A 22 3.123 -7.613 13.580 1.00 2.36 C ATOM 0 H THR A 22 2.377 -5.056 14.205 1.00 1.68 H new ATOM 0 HA THR A 22 4.230 -5.860 16.351 1.00 1.95 H new ATOM 0 HB THR A 22 2.469 -7.262 15.535 1.00 2.12 H new ATOM 0 HG1 THR A 22 3.965 -9.112 15.428 1.00 2.80 H new ATOM 0 HG21 THR A 22 2.740 -8.632 13.531 1.00 2.36 H new ATOM 0 HG22 THR A 22 2.373 -6.925 13.190 1.00 2.36 H new ATOM 0 HG23 THR A 22 4.031 -7.537 12.982 1.00 2.36 H new ATOM 478 N ASP A 31 2.462 5.572 15.140 1.00 1.58 N ATOM 479 CA ASP A 31 1.876 5.423 13.823 1.00 1.42 C ATOM 480 C ASP A 31 2.944 4.713 12.990 1.00 1.35 C ATOM 481 O ASP A 31 3.093 3.501 13.140 1.00 1.85 O ATOM 482 CB ASP A 31 1.440 6.800 13.296 1.00 1.64 C ATOM 483 CG ASP A 31 0.706 6.703 11.970 1.00 2.23 C ATOM 484 OD1 ASP A 31 1.058 5.815 11.163 1.00 3.28 O ATOM 485 OD2 ASP A 31 -0.195 7.540 11.753 1.00 2.98 O ATOM 0 HA ASP A 31 0.963 4.828 13.799 1.00 1.42 H new ATOM 0 HB2 ASP A 31 0.795 7.281 14.032 1.00 1.64 H new ATOM 0 HB3 ASP A 31 2.317 7.436 13.178 1.00 1.64 H new ATOM 490 N SER A 32 3.759 5.452 12.229 1.00 1.29 N ATOM 491 CA SER A 32 4.994 4.930 11.664 1.00 1.20 C ATOM 492 C SER A 32 6.169 5.384 12.533 1.00 1.15 C ATOM 493 O SER A 32 5.987 5.763 13.693 1.00 1.38 O ATOM 494 CB SER A 32 5.162 5.381 10.206 1.00 1.30 C ATOM 495 OG SER A 32 6.001 4.470 9.520 1.00 1.87 O ATOM 0 H SER A 32 3.575 6.427 11.992 1.00 1.29 H new ATOM 0 HA SER A 32 4.961 3.841 11.656 1.00 1.20 H new ATOM 0 HB2 SER A 32 4.189 5.434 9.717 1.00 1.30 H new ATOM 0 HB3 SER A 32 5.591 6.382 10.172 1.00 1.30 H new ATOM 0 HG SER A 32 5.454 3.774 9.099 1.00 1.87 H new ATOM 501 N LEU A 33 7.370 5.342 11.952 1.00 1.06 N ATOM 502 CA LEU A 33 8.618 5.732 12.584 1.00 1.11 C ATOM 503 C LEU A 33 9.018 7.122 12.073 1.00 0.98 C ATOM 504 O LEU A 33 8.190 7.856 11.535 1.00 1.04 O ATOM 505 CB LEU A 33 9.701 4.677 12.281 1.00 1.32 C ATOM 506 CG LEU A 33 9.399 3.216 12.665 1.00 1.49 C ATOM 507 CD1 LEU A 33 8.841 3.071 14.084 1.00 1.89 C ATOM 508 CD2 LEU A 33 8.501 2.517 11.642 1.00 1.33 C ATOM 0 H LEU A 33 7.497 5.022 10.992 1.00 1.06 H new ATOM 0 HA LEU A 33 8.502 5.784 13.667 1.00 1.11 H new ATOM 0 HB2 LEU A 33 9.910 4.707 11.212 1.00 1.32 H new ATOM 0 HB3 LEU A 33 10.615 4.977 12.793 1.00 1.32 H new ATOM 0 HG LEU A 33 10.364 2.709 12.654 1.00 1.49 H new ATOM 0 HD11 LEU A 33 8.649 2.019 14.294 1.00 1.89 H new ATOM 0 HD12 LEU A 33 9.565 3.458 14.801 1.00 1.89 H new ATOM 0 HD13 LEU A 33 7.911 3.633 14.169 1.00 1.89 H new ATOM 0 HD21 LEU A 33 8.319 1.490 11.959 1.00 1.33 H new ATOM 0 HD22 LEU A 33 7.552 3.048 11.568 1.00 1.33 H new ATOM 0 HD23 LEU A 33 8.992 2.514 10.669 1.00 1.33 H new ATOM 520 N SER A 34 10.292 7.482 12.224 1.00 0.93 N ATOM 521 CA SER A 34 10.882 8.662 11.609 1.00 0.90 C ATOM 522 C SER A 34 11.186 8.377 10.138 1.00 0.79 C ATOM 523 O SER A 34 11.253 7.214 9.736 1.00 0.75 O ATOM 524 CB SER A 34 12.125 9.064 12.408 1.00 0.96 C ATOM 525 OG SER A 34 11.756 9.271 13.759 1.00 1.52 O ATOM 0 H SER A 34 10.953 6.949 12.789 1.00 0.93 H new ATOM 0 HA SER A 34 10.189 9.503 11.629 1.00 0.90 H new ATOM 0 HB2 SER A 34 12.885 8.285 12.340 1.00 0.96 H new ATOM 0 HB3 SER A 34 12.562 9.972 11.993 1.00 0.96 H new ATOM 0 HG SER A 34 12.547 9.527 14.278 1.00 1.52 H new ATOM 531 N VAL A 35 11.352 9.418 9.314 1.00 0.85 N ATOM 532 CA VAL A 35 11.503 9.215 7.875 1.00 0.92 C ATOM 533 C VAL A 35 12.807 8.469 7.599 1.00 0.90 C ATOM 534 O VAL A 35 12.841 7.559 6.776 1.00 0.94 O ATOM 535 CB VAL A 35 11.474 10.534 7.087 1.00 1.24 C ATOM 536 CG1 VAL A 35 11.232 10.239 5.600 1.00 1.30 C ATOM 537 CG2 VAL A 35 10.361 11.488 7.551 1.00 1.42 C ATOM 0 H VAL A 35 11.384 10.392 9.615 1.00 0.85 H new ATOM 0 HA VAL A 35 10.653 8.623 7.536 1.00 0.92 H new ATOM 0 HB VAL A 35 12.437 11.014 7.259 1.00 1.24 H new ATOM 0 HG11 VAL A 35 11.212 11.175 5.042 1.00 1.30 H new ATOM 0 HG12 VAL A 35 12.034 9.607 5.219 1.00 1.30 H new ATOM 0 HG13 VAL A 35 10.278 9.725 5.482 1.00 1.30 H new ATOM 0 HG21 VAL A 35 10.393 12.401 6.956 1.00 1.42 H new ATOM 0 HG22 VAL A 35 9.392 11.006 7.424 1.00 1.42 H new ATOM 0 HG23 VAL A 35 10.508 11.735 8.603 1.00 1.42 H new ATOM 547 N ASN A 36 13.881 8.867 8.287 1.00 0.97 N ATOM 548 CA ASN A 36 15.179 8.210 8.184 1.00 1.20 C ATOM 549 C ASN A 36 15.035 6.698 8.418 1.00 1.02 C ATOM 550 O ASN A 36 15.319 5.894 7.528 1.00 0.98 O ATOM 551 CB ASN A 36 16.213 8.849 9.140 1.00 1.53 C ATOM 552 CG ASN A 36 15.691 9.223 10.538 1.00 3.51 C ATOM 553 OD1 ASN A 36 15.035 8.433 11.203 1.00 4.89 O ATOM 554 ND2 ASN A 36 15.940 10.446 10.987 1.00 4.25 N ATOM 0 H ASN A 36 13.870 9.657 8.932 1.00 0.97 H new ATOM 0 HA ASN A 36 15.558 8.355 7.172 1.00 1.20 H new ATOM 0 HB2 ASN A 36 17.047 8.157 9.257 1.00 1.53 H new ATOM 0 HB3 ASN A 36 16.609 9.748 8.668 1.00 1.53 H new ATOM 0 HD21 ASN A 36 15.583 10.738 11.897 1.00 4.25 H new ATOM 0 HD22 ASN A 36 16.488 11.095 10.422 1.00 4.25 H new ATOM 561 N GLU A 37 14.543 6.332 9.605 1.00 0.98 N ATOM 562 CA GLU A 37 14.284 4.974 10.048 1.00 0.95 C ATOM 563 C GLU A 37 13.441 4.263 8.997 1.00 0.79 C ATOM 564 O GLU A 37 13.844 3.225 8.488 1.00 0.85 O ATOM 565 CB GLU A 37 13.607 5.039 11.430 1.00 1.02 C ATOM 566 CG GLU A 37 13.129 3.692 11.992 1.00 1.49 C ATOM 567 CD GLU A 37 14.234 2.676 12.257 1.00 2.59 C ATOM 568 OE1 GLU A 37 15.413 3.091 12.265 1.00 3.41 O ATOM 569 OE2 GLU A 37 13.866 1.502 12.479 1.00 3.58 O ATOM 0 H GLU A 37 14.304 7.021 10.318 1.00 0.98 H new ATOM 0 HA GLU A 37 15.203 4.398 10.158 1.00 0.95 H new ATOM 0 HB2 GLU A 37 14.307 5.481 12.139 1.00 1.02 H new ATOM 0 HB3 GLU A 37 12.751 5.711 11.366 1.00 1.02 H new ATOM 0 HG2 GLU A 37 12.592 3.874 12.923 1.00 1.49 H new ATOM 0 HG3 GLU A 37 12.415 3.256 11.293 1.00 1.49 H new ATOM 576 N PHE A 38 12.300 4.843 8.617 1.00 0.65 N ATOM 577 CA PHE A 38 11.485 4.311 7.536 1.00 0.57 C ATOM 578 C PHE A 38 12.321 4.024 6.288 1.00 0.56 C ATOM 579 O PHE A 38 12.222 2.927 5.739 1.00 0.54 O ATOM 580 CB PHE A 38 10.325 5.256 7.201 1.00 0.58 C ATOM 581 CG PHE A 38 9.674 4.964 5.858 1.00 0.64 C ATOM 582 CD1 PHE A 38 9.051 3.722 5.635 1.00 1.53 C ATOM 583 CD2 PHE A 38 9.872 5.844 4.776 1.00 1.77 C ATOM 584 CE1 PHE A 38 8.573 3.392 4.355 1.00 1.56 C ATOM 585 CE2 PHE A 38 9.379 5.517 3.500 1.00 1.91 C ATOM 586 CZ PHE A 38 8.677 4.316 3.303 1.00 1.00 C ATOM 0 H PHE A 38 11.923 5.687 9.049 1.00 0.65 H new ATOM 0 HA PHE A 38 11.068 3.366 7.883 1.00 0.57 H new ATOM 0 HB2 PHE A 38 9.571 5.185 7.985 1.00 0.58 H new ATOM 0 HB3 PHE A 38 10.691 6.283 7.203 1.00 0.58 H new ATOM 0 HD1 PHE A 38 8.940 3.021 6.449 1.00 1.53 H new ATOM 0 HD2 PHE A 38 10.404 6.772 4.927 1.00 1.77 H new ATOM 0 HE1 PHE A 38 8.125 2.425 4.180 1.00 1.56 H new ATOM 0 HE2 PHE A 38 9.540 6.190 2.671 1.00 1.91 H new ATOM 0 HZ PHE A 38 8.220 4.105 2.348 1.00 1.00 H new ATOM 596 N LYS A 39 13.122 4.992 5.822 1.00 0.67 N ATOM 597 CA LYS A 39 13.802 4.879 4.542 1.00 0.63 C ATOM 598 C LYS A 39 14.688 3.645 4.587 1.00 0.61 C ATOM 599 O LYS A 39 14.635 2.801 3.691 1.00 0.60 O ATOM 600 CB LYS A 39 14.596 6.152 4.203 1.00 0.85 C ATOM 601 CG LYS A 39 15.100 6.125 2.741 1.00 0.84 C ATOM 602 CD LYS A 39 16.624 5.943 2.572 1.00 1.58 C ATOM 603 CE LYS A 39 17.107 4.518 2.245 1.00 2.87 C ATOM 604 NZ LYS A 39 16.534 3.977 0.990 1.00 4.41 N ATOM 0 H LYS A 39 13.310 5.862 6.321 1.00 0.67 H new ATOM 0 HA LYS A 39 13.070 4.771 3.742 1.00 0.63 H new ATOM 0 HB2 LYS A 39 13.966 7.028 4.357 1.00 0.85 H new ATOM 0 HB3 LYS A 39 15.444 6.246 4.881 1.00 0.85 H new ATOM 0 HG2 LYS A 39 14.593 5.316 2.214 1.00 0.84 H new ATOM 0 HG3 LYS A 39 14.806 7.055 2.255 1.00 0.84 H new ATOM 0 HD2 LYS A 39 16.963 6.610 1.779 1.00 1.58 H new ATOM 0 HD3 LYS A 39 17.112 6.267 3.491 1.00 1.58 H new ATOM 0 HE2 LYS A 39 18.194 4.519 2.169 1.00 2.87 H new ATOM 0 HE3 LYS A 39 16.846 3.855 3.070 1.00 2.87 H new ATOM 0 HZ1 LYS A 39 16.962 3.052 0.783 1.00 4.41 H new ATOM 0 HZ2 LYS A 39 15.506 3.866 1.097 1.00 4.41 H new ATOM 0 HZ3 LYS A 39 16.732 4.633 0.207 1.00 4.41 H new ATOM 618 N GLU A 40 15.483 3.547 5.650 1.00 0.70 N ATOM 619 CA GLU A 40 16.274 2.370 5.951 1.00 0.87 C ATOM 620 C GLU A 40 15.405 1.117 5.967 1.00 0.84 C ATOM 621 O GLU A 40 15.657 0.201 5.193 1.00 1.06 O ATOM 622 CB GLU A 40 16.989 2.599 7.281 1.00 1.26 C ATOM 623 CG GLU A 40 18.193 3.517 7.033 1.00 1.61 C ATOM 624 CD GLU A 40 19.499 2.726 7.029 1.00 2.75 C ATOM 625 OE1 GLU A 40 19.472 1.574 6.534 1.00 4.04 O ATOM 626 OE2 GLU A 40 20.504 3.282 7.517 1.00 3.11 O ATOM 0 H GLU A 40 15.593 4.297 6.332 1.00 0.70 H new ATOM 0 HA GLU A 40 17.021 2.208 5.174 1.00 0.87 H new ATOM 0 HB2 GLU A 40 16.310 3.052 8.003 1.00 1.26 H new ATOM 0 HB3 GLU A 40 17.317 1.649 7.703 1.00 1.26 H new ATOM 0 HG2 GLU A 40 18.072 4.030 6.079 1.00 1.61 H new ATOM 0 HG3 GLU A 40 18.233 4.286 7.805 1.00 1.61 H new ATOM 633 N LEU A 41 14.374 1.067 6.810 1.00 0.78 N ATOM 634 CA LEU A 41 13.504 -0.094 6.925 1.00 0.83 C ATOM 635 C LEU A 41 13.012 -0.569 5.555 1.00 0.75 C ATOM 636 O LEU A 41 13.068 -1.764 5.281 1.00 0.97 O ATOM 637 CB LEU A 41 12.313 0.187 7.854 1.00 0.90 C ATOM 638 CG LEU A 41 12.672 0.324 9.345 1.00 1.05 C ATOM 639 CD1 LEU A 41 11.440 0.858 10.085 1.00 2.66 C ATOM 640 CD2 LEU A 41 13.099 -1.005 9.979 1.00 2.00 C ATOM 0 H LEU A 41 14.121 1.835 7.432 1.00 0.78 H new ATOM 0 HA LEU A 41 14.099 -0.894 7.365 1.00 0.83 H new ATOM 0 HB2 LEU A 41 11.825 1.105 7.527 1.00 0.90 H new ATOM 0 HB3 LEU A 41 11.586 -0.618 7.743 1.00 0.90 H new ATOM 0 HG LEU A 41 13.520 1.004 9.426 1.00 1.05 H new ATOM 0 HD11 LEU A 41 11.670 0.964 11.145 1.00 2.66 H new ATOM 0 HD12 LEU A 41 11.162 1.829 9.675 1.00 2.66 H new ATOM 0 HD13 LEU A 41 10.611 0.161 9.961 1.00 2.66 H new ATOM 0 HD21 LEU A 41 13.340 -0.846 11.030 1.00 2.00 H new ATOM 0 HD22 LEU A 41 12.285 -1.725 9.898 1.00 2.00 H new ATOM 0 HD23 LEU A 41 13.977 -1.390 9.460 1.00 2.00 H new ATOM 652 N VAL A 42 12.542 0.325 4.679 1.00 0.55 N ATOM 653 CA VAL A 42 12.050 -0.111 3.375 1.00 0.54 C ATOM 654 C VAL A 42 13.237 -0.651 2.563 1.00 0.54 C ATOM 655 O VAL A 42 13.189 -1.766 2.045 1.00 0.60 O ATOM 656 CB VAL A 42 11.178 0.964 2.675 1.00 0.57 C ATOM 657 CG1 VAL A 42 11.863 2.311 2.435 1.00 2.43 C ATOM 658 CG2 VAL A 42 10.676 0.487 1.322 1.00 1.98 C ATOM 0 H VAL A 42 12.493 1.330 4.845 1.00 0.55 H new ATOM 0 HA VAL A 42 11.345 -0.935 3.487 1.00 0.54 H new ATOM 0 HB VAL A 42 10.366 1.115 3.387 1.00 0.57 H new ATOM 0 HG11 VAL A 42 11.168 2.990 1.941 1.00 2.43 H new ATOM 0 HG12 VAL A 42 12.171 2.738 3.390 1.00 2.43 H new ATOM 0 HG13 VAL A 42 12.739 2.166 1.803 1.00 2.43 H new ATOM 0 HG21 VAL A 42 10.069 1.268 0.863 1.00 1.98 H new ATOM 0 HG22 VAL A 42 11.526 0.262 0.677 1.00 1.98 H new ATOM 0 HG23 VAL A 42 10.073 -0.411 1.454 1.00 1.98 H new ATOM 668 N THR A 43 14.338 0.104 2.510 1.00 0.54 N ATOM 669 CA THR A 43 15.545 -0.307 1.796 1.00 0.64 C ATOM 670 C THR A 43 16.047 -1.687 2.255 1.00 0.70 C ATOM 671 O THR A 43 16.501 -2.475 1.434 1.00 0.84 O ATOM 672 CB THR A 43 16.612 0.805 1.896 1.00 0.78 C ATOM 673 OG1 THR A 43 16.909 1.360 0.629 1.00 1.24 O ATOM 674 CG2 THR A 43 17.905 0.439 2.618 1.00 1.06 C ATOM 0 H THR A 43 14.415 1.016 2.961 1.00 0.54 H new ATOM 0 HA THR A 43 15.308 -0.436 0.740 1.00 0.64 H new ATOM 0 HB THR A 43 16.132 1.548 2.533 1.00 0.78 H new ATOM 0 HG1 THR A 43 16.075 1.601 0.174 1.00 1.24 H new ATOM 0 HG21 THR A 43 18.575 1.299 2.624 1.00 1.06 H new ATOM 0 HG22 THR A 43 17.679 0.148 3.644 1.00 1.06 H new ATOM 0 HG23 THR A 43 18.387 -0.392 2.103 1.00 1.06 H new ATOM 682 N GLN A 44 15.995 -1.970 3.559 1.00 0.70 N ATOM 683 CA GLN A 44 16.479 -3.209 4.149 1.00 0.79 C ATOM 684 C GLN A 44 15.481 -4.341 3.889 1.00 0.80 C ATOM 685 O GLN A 44 15.867 -5.431 3.475 1.00 0.89 O ATOM 686 CB GLN A 44 16.709 -3.005 5.655 1.00 0.85 C ATOM 687 CG GLN A 44 17.884 -2.057 5.954 1.00 1.73 C ATOM 688 CD GLN A 44 18.018 -1.760 7.446 1.00 2.54 C ATOM 689 OE1 GLN A 44 17.556 -2.534 8.278 1.00 2.89 O ATOM 690 NE2 GLN A 44 18.645 -0.645 7.816 1.00 3.78 N ATOM 0 H GLN A 44 15.605 -1.325 4.246 1.00 0.70 H new ATOM 0 HA GLN A 44 17.427 -3.487 3.689 1.00 0.79 H new ATOM 0 HB2 GLN A 44 15.801 -2.605 6.106 1.00 0.85 H new ATOM 0 HB3 GLN A 44 16.899 -3.971 6.123 1.00 0.85 H new ATOM 0 HG2 GLN A 44 18.810 -2.502 5.589 1.00 1.73 H new ATOM 0 HG3 GLN A 44 17.743 -1.123 5.410 1.00 1.73 H new ATOM 0 HE21 GLN A 44 19.023 -0.014 7.109 1.00 3.78 H new ATOM 0 HE22 GLN A 44 18.748 -0.422 8.806 1.00 3.78 H new ATOM 699 N GLN A 45 14.193 -4.085 4.142 1.00 0.77 N ATOM 700 CA GLN A 45 13.136 -5.080 4.006 1.00 0.81 C ATOM 701 C GLN A 45 13.004 -5.579 2.571 1.00 0.86 C ATOM 702 O GLN A 45 12.573 -6.716 2.377 1.00 1.00 O ATOM 703 CB GLN A 45 11.802 -4.493 4.480 1.00 0.79 C ATOM 704 CG GLN A 45 11.608 -4.397 6.009 1.00 0.89 C ATOM 705 CD GLN A 45 12.864 -4.422 6.887 1.00 1.08 C ATOM 706 OE1 GLN A 45 13.593 -5.406 6.933 1.00 2.44 O ATOM 707 NE2 GLN A 45 13.095 -3.374 7.669 1.00 1.67 N ATOM 0 H GLN A 45 13.857 -3.172 4.449 1.00 0.77 H new ATOM 0 HA GLN A 45 13.404 -5.934 4.629 1.00 0.81 H new ATOM 0 HB2 GLN A 45 11.697 -3.494 4.057 1.00 0.79 H new ATOM 0 HB3 GLN A 45 10.995 -5.099 4.069 1.00 0.79 H new ATOM 0 HG2 GLN A 45 11.068 -3.474 6.222 1.00 0.89 H new ATOM 0 HG3 GLN A 45 10.965 -5.221 6.318 1.00 0.89 H new ATOM 0 HE21 GLN A 45 12.483 -2.559 7.624 1.00 1.67 H new ATOM 0 HE22 GLN A 45 13.885 -3.384 8.315 1.00 1.67 H new ATOM 716 N LEU A 46 13.333 -4.739 1.584 1.00 0.83 N ATOM 717 CA LEU A 46 13.391 -5.155 0.193 1.00 0.97 C ATOM 718 C LEU A 46 14.794 -5.672 -0.164 1.00 1.21 C ATOM 719 O LEU A 46 15.708 -4.867 -0.310 1.00 1.68 O ATOM 720 CB LEU A 46 12.992 -3.987 -0.720 1.00 0.99 C ATOM 721 CG LEU A 46 11.474 -3.747 -0.712 1.00 1.04 C ATOM 722 CD1 LEU A 46 10.963 -2.693 0.264 1.00 1.15 C ATOM 723 CD2 LEU A 46 10.945 -3.410 -2.106 1.00 1.55 C ATOM 0 H LEU A 46 13.564 -3.757 1.734 1.00 0.83 H new ATOM 0 HA LEU A 46 12.686 -5.973 0.043 1.00 0.97 H new ATOM 0 HB2 LEU A 46 13.505 -3.081 -0.396 1.00 0.99 H new ATOM 0 HB3 LEU A 46 13.322 -4.193 -1.738 1.00 0.99 H new ATOM 0 HG LEU A 46 11.086 -4.703 -0.361 1.00 1.04 H new ATOM 0 HD11 LEU A 46 9.879 -2.613 0.178 1.00 1.15 H new ATOM 0 HD12 LEU A 46 11.226 -2.981 1.282 1.00 1.15 H new ATOM 0 HD13 LEU A 46 11.418 -1.730 0.031 1.00 1.15 H new ATOM 0 HD21 LEU A 46 9.868 -3.248 -2.057 1.00 1.55 H new ATOM 0 HD22 LEU A 46 11.432 -2.506 -2.471 1.00 1.55 H new ATOM 0 HD23 LEU A 46 11.157 -4.236 -2.785 1.00 1.55 H new ATOM 735 N PRO A 47 14.983 -6.989 -0.372 1.00 1.33 N ATOM 736 CA PRO A 47 16.265 -7.560 -0.758 1.00 1.61 C ATOM 737 C PRO A 47 16.484 -7.458 -2.271 1.00 1.13 C ATOM 738 O PRO A 47 17.563 -7.794 -2.758 1.00 1.06 O ATOM 739 CB PRO A 47 16.165 -9.029 -0.345 1.00 2.26 C ATOM 740 CG PRO A 47 14.706 -9.344 -0.665 1.00 2.25 C ATOM 741 CD PRO A 47 13.989 -8.048 -0.284 1.00 1.77 C ATOM 0 HA PRO A 47 17.099 -7.039 -0.288 1.00 1.61 H new ATOM 0 HB2 PRO A 47 16.853 -9.660 -0.908 1.00 2.26 H new ATOM 0 HB3 PRO A 47 16.392 -9.173 0.711 1.00 2.26 H new ATOM 0 HG2 PRO A 47 14.567 -9.589 -1.718 1.00 2.25 H new ATOM 0 HG3 PRO A 47 14.340 -10.194 -0.089 1.00 2.25 H new ATOM 0 HD2 PRO A 47 13.154 -7.854 -0.957 1.00 1.77 H new ATOM 0 HD3 PRO A 47 13.578 -8.113 0.724 1.00 1.77 H new ATOM 749 N HIS A 48 15.448 -7.065 -3.023 1.00 1.15 N ATOM 750 CA HIS A 48 15.500 -6.992 -4.471 1.00 1.03 C ATOM 751 C HIS A 48 16.419 -5.835 -4.908 1.00 1.22 C ATOM 752 O HIS A 48 17.028 -5.165 -4.079 1.00 2.67 O ATOM 753 CB HIS A 48 14.068 -6.889 -5.019 1.00 1.23 C ATOM 754 CG HIS A 48 13.924 -7.542 -6.366 1.00 2.03 C ATOM 755 ND1 HIS A 48 13.658 -6.916 -7.553 1.00 3.15 N flip ATOM 756 CD2 HIS A 48 14.117 -8.881 -6.629 1.00 2.71 C flip ATOM 757 CE1 HIS A 48 13.729 -7.874 -8.567 1.00 4.09 C flip ATOM 758 NE2 HIS A 48 14.021 -9.040 -7.960 1.00 3.83 N flip ATOM 0 H HIS A 48 14.548 -6.789 -2.631 1.00 1.15 H new ATOM 0 HA HIS A 48 15.938 -7.897 -4.893 1.00 1.03 H new ATOM 0 HB2 HIS A 48 13.378 -7.355 -4.316 1.00 1.23 H new ATOM 0 HB3 HIS A 48 13.785 -5.839 -5.095 1.00 1.23 H new ATOM 0 HD2 HIS A 48 14.309 -9.656 -5.902 1.00 2.71 H new ATOM 0 HE1 HIS A 48 13.580 -7.712 -9.624 1.00 4.09 H new ATOM 0 HE2 HIS A 48 14.152 -9.927 -8.446 1.00 3.83 H new ATOM 766 N LEU A 49 16.539 -5.593 -6.218 1.00 1.08 N ATOM 767 CA LEU A 49 17.605 -4.742 -6.749 1.00 1.00 C ATOM 768 C LEU A 49 17.600 -3.316 -6.172 1.00 0.97 C ATOM 769 O LEU A 49 18.652 -2.835 -5.763 1.00 1.09 O ATOM 770 CB LEU A 49 17.593 -4.791 -8.284 1.00 1.13 C ATOM 771 CG LEU A 49 18.924 -4.320 -8.903 1.00 1.65 C ATOM 772 CD1 LEU A 49 19.226 -5.118 -10.178 1.00 2.11 C ATOM 773 CD2 LEU A 49 18.886 -2.832 -9.264 1.00 3.06 C ATOM 0 H LEU A 49 15.912 -5.974 -6.927 1.00 1.08 H new ATOM 0 HA LEU A 49 18.559 -5.147 -6.411 1.00 1.00 H new ATOM 0 HB2 LEU A 49 17.386 -5.810 -8.610 1.00 1.13 H new ATOM 0 HB3 LEU A 49 16.782 -4.166 -8.657 1.00 1.13 H new ATOM 0 HG LEU A 49 19.701 -4.484 -8.156 1.00 1.65 H new ATOM 0 HD11 LEU A 49 20.168 -4.777 -10.606 1.00 2.11 H new ATOM 0 HD12 LEU A 49 19.301 -6.178 -9.935 1.00 2.11 H new ATOM 0 HD13 LEU A 49 18.424 -4.967 -10.900 1.00 2.11 H new ATOM 0 HD21 LEU A 49 19.842 -2.538 -9.697 1.00 3.06 H new ATOM 0 HD22 LEU A 49 18.090 -2.653 -9.987 1.00 3.06 H new ATOM 0 HD23 LEU A 49 18.699 -2.244 -8.365 1.00 3.06 H new ATOM 785 N LEU A 50 16.442 -2.640 -6.148 1.00 1.03 N ATOM 786 CA LEU A 50 16.274 -1.320 -5.526 1.00 1.12 C ATOM 787 C LEU A 50 17.221 -0.310 -6.181 1.00 1.03 C ATOM 788 O LEU A 50 18.144 0.239 -5.582 1.00 1.32 O ATOM 789 CB LEU A 50 16.374 -1.394 -3.988 1.00 1.58 C ATOM 790 CG LEU A 50 15.048 -1.743 -3.278 1.00 2.21 C ATOM 791 CD1 LEU A 50 14.101 -0.540 -3.188 1.00 3.27 C ATOM 792 CD2 LEU A 50 14.298 -2.906 -3.932 1.00 3.05 C ATOM 0 H LEU A 50 15.584 -3.001 -6.566 1.00 1.03 H new ATOM 0 HA LEU A 50 15.263 -0.956 -5.711 1.00 1.12 H new ATOM 0 HB2 LEU A 50 17.122 -2.140 -3.720 1.00 1.58 H new ATOM 0 HB3 LEU A 50 16.731 -0.435 -3.613 1.00 1.58 H new ATOM 0 HG LEU A 50 15.349 -2.046 -2.275 1.00 2.21 H new ATOM 0 HD11 LEU A 50 13.183 -0.837 -2.681 1.00 3.27 H new ATOM 0 HD12 LEU A 50 14.583 0.261 -2.627 1.00 3.27 H new ATOM 0 HD13 LEU A 50 13.863 -0.188 -4.192 1.00 3.27 H new ATOM 0 HD21 LEU A 50 13.376 -3.099 -3.384 1.00 3.05 H new ATOM 0 HD22 LEU A 50 14.059 -2.650 -4.964 1.00 3.05 H new ATOM 0 HD23 LEU A 50 14.924 -3.798 -3.914 1.00 3.05 H new ATOM 804 N LYS A 51 16.961 -0.096 -7.471 1.00 0.90 N ATOM 805 CA LYS A 51 17.687 0.826 -8.333 1.00 1.10 C ATOM 806 C LYS A 51 17.413 2.293 -7.987 1.00 1.19 C ATOM 807 O LYS A 51 18.237 3.152 -8.285 1.00 1.40 O ATOM 808 CB LYS A 51 17.291 0.539 -9.784 1.00 1.25 C ATOM 809 CG LYS A 51 15.790 0.769 -10.031 1.00 1.26 C ATOM 810 CD LYS A 51 15.499 2.159 -10.620 1.00 1.60 C ATOM 811 CE LYS A 51 15.508 2.170 -12.155 1.00 1.97 C ATOM 812 NZ LYS A 51 16.865 1.966 -12.703 1.00 2.46 N ATOM 0 H LYS A 51 16.208 -0.581 -7.960 1.00 0.90 H new ATOM 0 HA LYS A 51 18.756 0.670 -8.185 1.00 1.10 H new ATOM 0 HB2 LYS A 51 17.870 1.179 -10.450 1.00 1.25 H new ATOM 0 HB3 LYS A 51 17.545 -0.492 -10.031 1.00 1.25 H new ATOM 0 HG2 LYS A 51 15.415 0.004 -10.711 1.00 1.26 H new ATOM 0 HG3 LYS A 51 15.248 0.655 -9.092 1.00 1.26 H new ATOM 0 HD2 LYS A 51 14.528 2.503 -10.265 1.00 1.60 H new ATOM 0 HD3 LYS A 51 16.242 2.867 -10.252 1.00 1.60 H new ATOM 0 HE2 LYS A 51 14.846 1.388 -12.527 1.00 1.97 H new ATOM 0 HE3 LYS A 51 15.112 3.120 -12.513 1.00 1.97 H new ATOM 0 HZ1 LYS A 51 16.850 2.115 -13.732 1.00 2.46 H new ATOM 0 HZ2 LYS A 51 17.522 2.643 -12.265 1.00 2.46 H new ATOM 0 HZ3 LYS A 51 17.180 0.996 -12.498 1.00 2.46 H new ATOM 826 N ASP A 52 16.216 2.558 -7.458 1.00 1.10 N ATOM 827 CA ASP A 52 15.769 3.784 -6.823 1.00 1.15 C ATOM 828 C ASP A 52 16.119 5.063 -7.589 1.00 1.19 C ATOM 829 O ASP A 52 17.149 5.686 -7.343 1.00 1.43 O ATOM 830 CB ASP A 52 16.179 3.788 -5.348 1.00 1.45 C ATOM 831 CG ASP A 52 15.618 2.604 -4.558 1.00 1.60 C ATOM 832 OD1 ASP A 52 15.128 1.649 -5.209 1.00 2.07 O ATOM 833 OD2 ASP A 52 15.692 2.681 -3.311 1.00 2.70 O ATOM 0 H ASP A 52 15.477 1.855 -7.468 1.00 1.10 H new ATOM 0 HA ASP A 52 14.680 3.793 -6.858 1.00 1.15 H new ATOM 0 HB2 ASP A 52 17.267 3.777 -5.281 1.00 1.45 H new ATOM 0 HB3 ASP A 52 15.840 4.716 -4.887 1.00 1.45 H new ATOM 838 N VAL A 53 15.213 5.489 -8.483 1.00 1.13 N ATOM 839 CA VAL A 53 15.332 6.741 -9.219 1.00 1.26 C ATOM 840 C VAL A 53 14.035 7.551 -9.155 1.00 1.18 C ATOM 841 O VAL A 53 12.957 6.970 -9.049 1.00 1.45 O ATOM 842 CB VAL A 53 15.799 6.457 -10.659 1.00 1.66 C ATOM 843 CG1 VAL A 53 14.696 5.812 -11.508 1.00 1.93 C ATOM 844 CG2 VAL A 53 16.304 7.728 -11.352 1.00 2.51 C ATOM 0 H VAL A 53 14.370 4.962 -8.712 1.00 1.13 H new ATOM 0 HA VAL A 53 16.092 7.365 -8.748 1.00 1.26 H new ATOM 0 HB VAL A 53 16.625 5.750 -10.575 1.00 1.66 H new ATOM 0 HG11 VAL A 53 15.071 5.630 -12.515 1.00 1.93 H new ATOM 0 HG12 VAL A 53 14.395 4.866 -11.057 1.00 1.93 H new ATOM 0 HG13 VAL A 53 13.836 6.480 -11.556 1.00 1.93 H new ATOM 0 HG21 VAL A 53 16.625 7.487 -12.366 1.00 2.51 H new ATOM 0 HG22 VAL A 53 15.502 8.465 -11.391 1.00 2.51 H new ATOM 0 HG23 VAL A 53 17.146 8.137 -10.793 1.00 2.51 H new ATOM 854 N GLY A 54 14.141 8.885 -9.214 1.00 1.41 N ATOM 855 CA GLY A 54 13.034 9.818 -9.423 1.00 1.38 C ATOM 856 C GLY A 54 12.048 9.860 -8.255 1.00 1.20 C ATOM 857 O GLY A 54 12.017 10.806 -7.473 1.00 1.37 O ATOM 0 H GLY A 54 15.038 9.360 -9.113 1.00 1.41 H new ATOM 0 HA2 GLY A 54 13.437 10.818 -9.585 1.00 1.38 H new ATOM 0 HA3 GLY A 54 12.499 9.539 -10.331 1.00 1.38 H new ATOM 861 N SER A 55 11.255 8.804 -8.107 1.00 0.99 N ATOM 862 CA SER A 55 10.422 8.635 -6.934 1.00 0.99 C ATOM 863 C SER A 55 11.311 8.338 -5.719 1.00 0.93 C ATOM 864 O SER A 55 10.913 8.562 -4.575 1.00 1.12 O ATOM 865 CB SER A 55 9.338 7.599 -7.231 1.00 1.06 C ATOM 866 OG SER A 55 8.432 8.150 -8.170 1.00 1.28 O ATOM 0 H SER A 55 11.175 8.052 -8.791 1.00 0.99 H new ATOM 0 HA SER A 55 9.884 9.547 -6.677 1.00 0.99 H new ATOM 0 HB2 SER A 55 9.785 6.687 -7.627 1.00 1.06 H new ATOM 0 HB3 SER A 55 8.814 7.326 -6.315 1.00 1.06 H new ATOM 0 HG SER A 55 8.872 8.229 -9.042 1.00 1.28 H new ATOM 872 N LEU A 56 12.555 7.900 -5.950 1.00 0.79 N ATOM 873 CA LEU A 56 13.582 7.957 -4.921 1.00 0.82 C ATOM 874 C LEU A 56 13.733 9.396 -4.453 1.00 0.88 C ATOM 875 O LEU A 56 13.466 9.681 -3.287 1.00 0.90 O ATOM 876 CB LEU A 56 14.903 7.412 -5.467 1.00 0.91 C ATOM 877 CG LEU A 56 16.099 7.446 -4.490 1.00 1.51 C ATOM 878 CD1 LEU A 56 16.820 8.798 -4.419 1.00 1.67 C ATOM 879 CD2 LEU A 56 15.741 6.958 -3.079 1.00 2.93 C ATOM 0 H LEU A 56 12.866 7.506 -6.838 1.00 0.79 H new ATOM 0 HA LEU A 56 13.293 7.338 -4.071 1.00 0.82 H new ATOM 0 HB2 LEU A 56 14.746 6.381 -5.783 1.00 0.91 H new ATOM 0 HB3 LEU A 56 15.169 7.982 -6.357 1.00 0.91 H new ATOM 0 HG LEU A 56 16.803 6.737 -4.926 1.00 1.51 H new ATOM 0 HD11 LEU A 56 17.646 8.733 -3.710 1.00 1.67 H new ATOM 0 HD12 LEU A 56 17.207 9.056 -5.405 1.00 1.67 H new ATOM 0 HD13 LEU A 56 16.120 9.567 -4.092 1.00 1.67 H new ATOM 0 HD21 LEU A 56 16.624 7.007 -2.442 1.00 2.93 H new ATOM 0 HD22 LEU A 56 14.958 7.592 -2.663 1.00 2.93 H new ATOM 0 HD23 LEU A 56 15.386 5.929 -3.129 1.00 2.93 H new ATOM 891 N ASP A 57 14.122 10.290 -5.373 1.00 1.01 N ATOM 892 CA ASP A 57 14.368 11.696 -5.078 1.00 1.16 C ATOM 893 C ASP A 57 13.189 12.262 -4.292 1.00 1.13 C ATOM 894 O ASP A 57 13.369 12.809 -3.205 1.00 1.14 O ATOM 895 CB ASP A 57 14.630 12.488 -6.371 1.00 1.37 C ATOM 896 CG ASP A 57 14.343 13.974 -6.182 1.00 2.07 C ATOM 897 OD1 ASP A 57 15.090 14.614 -5.417 1.00 2.85 O ATOM 898 OD2 ASP A 57 13.331 14.447 -6.746 1.00 2.70 O ATOM 0 H ASP A 57 14.274 10.048 -6.352 1.00 1.01 H new ATOM 0 HA ASP A 57 15.264 11.788 -4.465 1.00 1.16 H new ATOM 0 HB2 ASP A 57 15.667 12.353 -6.678 1.00 1.37 H new ATOM 0 HB3 ASP A 57 14.006 12.095 -7.173 1.00 1.37 H new ATOM 903 N GLU A 58 11.982 12.073 -4.834 1.00 1.14 N ATOM 904 CA GLU A 58 10.743 12.567 -4.251 1.00 1.17 C ATOM 905 C GLU A 58 10.628 12.267 -2.751 1.00 1.06 C ATOM 906 O GLU A 58 10.174 13.112 -1.983 1.00 1.15 O ATOM 907 CB GLU A 58 9.543 12.037 -5.051 1.00 1.25 C ATOM 908 CG GLU A 58 8.295 12.921 -4.897 1.00 2.37 C ATOM 909 CD GLU A 58 8.369 14.183 -5.751 1.00 2.65 C ATOM 910 OE1 GLU A 58 9.166 15.081 -5.389 1.00 3.40 O ATOM 911 OE2 GLU A 58 7.648 14.223 -6.768 1.00 3.39 O ATOM 0 H GLU A 58 11.842 11.562 -5.706 1.00 1.14 H new ATOM 0 HA GLU A 58 10.749 13.655 -4.321 1.00 1.17 H new ATOM 0 HB2 GLU A 58 9.812 11.975 -6.105 1.00 1.25 H new ATOM 0 HB3 GLU A 58 9.310 11.024 -4.722 1.00 1.25 H new ATOM 0 HG2 GLU A 58 7.410 12.348 -5.175 1.00 2.37 H new ATOM 0 HG3 GLU A 58 8.177 13.200 -3.850 1.00 2.37 H new ATOM 918 N LYS A 59 11.042 11.073 -2.320 1.00 1.01 N ATOM 919 CA LYS A 59 11.067 10.719 -0.905 1.00 1.02 C ATOM 920 C LYS A 59 12.311 11.279 -0.211 1.00 0.92 C ATOM 921 O LYS A 59 12.233 11.863 0.873 1.00 0.96 O ATOM 922 CB LYS A 59 10.992 9.195 -0.778 1.00 1.16 C ATOM 923 CG LYS A 59 9.712 8.715 -1.469 1.00 0.96 C ATOM 924 CD LYS A 59 9.397 7.249 -1.164 1.00 0.66 C ATOM 925 CE LYS A 59 10.468 6.242 -1.574 1.00 0.70 C ATOM 926 NZ LYS A 59 10.874 6.384 -2.986 1.00 1.02 N ATOM 0 H LYS A 59 11.367 10.331 -2.940 1.00 1.01 H new ATOM 0 HA LYS A 59 10.207 11.165 -0.405 1.00 1.02 H new ATOM 0 HB2 LYS A 59 11.866 8.733 -1.236 1.00 1.16 H new ATOM 0 HB3 LYS A 59 10.989 8.902 0.272 1.00 1.16 H new ATOM 0 HG2 LYS A 59 8.876 9.337 -1.150 1.00 0.96 H new ATOM 0 HG3 LYS A 59 9.814 8.845 -2.546 1.00 0.96 H new ATOM 0 HD2 LYS A 59 9.222 7.150 -0.093 1.00 0.66 H new ATOM 0 HD3 LYS A 59 8.466 6.985 -1.665 1.00 0.66 H new ATOM 0 HE2 LYS A 59 11.342 6.367 -0.935 1.00 0.70 H new ATOM 0 HE3 LYS A 59 10.094 5.232 -1.408 1.00 0.70 H new ATOM 0 HZ1 LYS A 59 11.770 5.880 -3.142 1.00 1.02 H new ATOM 0 HZ2 LYS A 59 10.139 5.981 -3.601 1.00 1.02 H new ATOM 0 HZ3 LYS A 59 10.999 7.391 -3.212 1.00 1.02 H new ATOM 940 N MET A 60 13.467 11.053 -0.837 1.00 0.85 N ATOM 941 CA MET A 60 14.774 11.407 -0.311 1.00 0.84 C ATOM 942 C MET A 60 14.813 12.870 0.119 1.00 0.91 C ATOM 943 O MET A 60 15.270 13.152 1.218 1.00 1.00 O ATOM 944 CB MET A 60 15.868 11.047 -1.326 1.00 0.94 C ATOM 945 CG MET A 60 17.285 11.300 -0.790 1.00 1.09 C ATOM 946 SD MET A 60 17.877 13.009 -0.899 1.00 2.21 S ATOM 947 CE MET A 60 19.422 12.875 0.026 1.00 2.86 C ATOM 0 H MET A 60 13.514 10.604 -1.752 1.00 0.85 H new ATOM 0 HA MET A 60 14.970 10.823 0.589 1.00 0.84 H new ATOM 0 HB2 MET A 60 15.771 9.997 -1.601 1.00 0.94 H new ATOM 0 HB3 MET A 60 15.719 11.629 -2.235 1.00 0.94 H new ATOM 0 HG2 MET A 60 17.319 10.990 0.254 1.00 1.09 H new ATOM 0 HG3 MET A 60 17.979 10.660 -1.335 1.00 1.09 H new ATOM 0 HE1 MET A 60 19.915 13.847 0.054 1.00 2.86 H new ATOM 0 HE2 MET A 60 19.210 12.546 1.043 1.00 2.86 H new ATOM 0 HE3 MET A 60 20.076 12.151 -0.460 1.00 2.86 H new ATOM 957 N LYS A 61 14.317 13.797 -0.701 1.00 0.95 N ATOM 958 CA LYS A 61 14.276 15.210 -0.336 1.00 1.08 C ATOM 959 C LYS A 61 13.597 15.427 1.023 1.00 1.37 C ATOM 960 O LYS A 61 14.125 16.118 1.887 1.00 1.58 O ATOM 961 CB LYS A 61 13.617 16.033 -1.455 1.00 1.13 C ATOM 962 CG LYS A 61 12.163 15.611 -1.715 1.00 1.74 C ATOM 963 CD LYS A 61 11.539 16.239 -2.961 1.00 2.01 C ATOM 964 CE LYS A 61 12.394 15.974 -4.210 1.00 2.17 C ATOM 965 NZ LYS A 61 11.631 15.982 -5.472 1.00 2.64 N ATOM 0 H LYS A 61 13.937 13.592 -1.625 1.00 0.95 H new ATOM 0 HA LYS A 61 15.301 15.564 -0.224 1.00 1.08 H new ATOM 0 HB2 LYS A 61 13.643 17.090 -1.189 1.00 1.13 H new ATOM 0 HB3 LYS A 61 14.194 15.921 -2.373 1.00 1.13 H new ATOM 0 HG2 LYS A 61 12.124 14.526 -1.811 1.00 1.74 H new ATOM 0 HG3 LYS A 61 11.559 15.877 -0.847 1.00 1.74 H new ATOM 0 HD2 LYS A 61 10.538 15.835 -3.111 1.00 2.01 H new ATOM 0 HD3 LYS A 61 11.431 17.314 -2.813 1.00 2.01 H new ATOM 0 HE2 LYS A 61 13.179 16.728 -4.267 1.00 2.17 H new ATOM 0 HE3 LYS A 61 12.887 15.008 -4.102 1.00 2.17 H new ATOM 0 HZ1 LYS A 61 12.063 15.315 -6.143 1.00 2.64 H new ATOM 0 HZ2 LYS A 61 10.648 15.698 -5.285 1.00 2.64 H new ATOM 0 HZ3 LYS A 61 11.643 16.939 -5.879 1.00 2.64 H new ATOM 979 N SER A 62 12.415 14.841 1.225 1.00 1.54 N ATOM 980 CA SER A 62 11.639 15.046 2.443 1.00 1.90 C ATOM 981 C SER A 62 12.439 14.590 3.663 1.00 1.96 C ATOM 982 O SER A 62 12.517 15.289 4.675 1.00 2.41 O ATOM 983 CB SER A 62 10.318 14.282 2.328 1.00 2.11 C ATOM 984 OG SER A 62 9.701 14.595 1.094 1.00 2.00 O ATOM 0 H SER A 62 11.974 14.215 0.551 1.00 1.54 H new ATOM 0 HA SER A 62 11.422 16.107 2.570 1.00 1.90 H new ATOM 0 HB2 SER A 62 10.498 13.209 2.395 1.00 2.11 H new ATOM 0 HB3 SER A 62 9.659 14.547 3.155 1.00 2.11 H new ATOM 0 HG SER A 62 8.856 14.105 1.018 1.00 2.00 H new ATOM 990 N LEU A 63 13.039 13.407 3.532 1.00 1.56 N ATOM 991 CA LEU A 63 13.954 12.834 4.503 1.00 1.59 C ATOM 992 C LEU A 63 15.101 13.823 4.753 1.00 1.78 C ATOM 993 O LEU A 63 15.262 14.305 5.869 1.00 2.08 O ATOM 994 CB LEU A 63 14.350 11.454 3.947 1.00 1.17 C ATOM 995 CG LEU A 63 15.402 10.551 4.602 1.00 2.93 C ATOM 996 CD1 LEU A 63 15.556 9.373 3.641 1.00 4.32 C ATOM 997 CD2 LEU A 63 16.781 11.210 4.719 1.00 4.34 C ATOM 0 H LEU A 63 12.893 12.807 2.720 1.00 1.56 H new ATOM 0 HA LEU A 63 13.527 12.671 5.493 1.00 1.59 H new ATOM 0 HB2 LEU A 63 13.432 10.869 3.895 1.00 1.17 H new ATOM 0 HB3 LEU A 63 14.682 11.619 2.922 1.00 1.17 H new ATOM 0 HG LEU A 63 15.078 10.296 5.611 1.00 2.93 H new ATOM 0 HD11 LEU A 63 16.294 8.675 4.036 1.00 4.32 H new ATOM 0 HD12 LEU A 63 14.598 8.865 3.532 1.00 4.32 H new ATOM 0 HD13 LEU A 63 15.886 9.738 2.668 1.00 4.32 H new ATOM 0 HD21 LEU A 63 17.477 10.516 5.191 1.00 4.34 H new ATOM 0 HD22 LEU A 63 17.146 11.470 3.725 1.00 4.34 H new ATOM 0 HD23 LEU A 63 16.702 12.113 5.324 1.00 4.34 H new ATOM 1009 N ASP A 64 15.871 14.167 3.722 1.00 1.64 N ATOM 1010 CA ASP A 64 17.009 15.075 3.804 1.00 1.83 C ATOM 1011 C ASP A 64 16.649 16.348 4.579 1.00 2.04 C ATOM 1012 O ASP A 64 17.366 16.755 5.490 1.00 2.26 O ATOM 1013 CB ASP A 64 17.483 15.394 2.383 1.00 1.71 C ATOM 1014 CG ASP A 64 18.730 16.259 2.392 1.00 2.03 C ATOM 1015 OD1 ASP A 64 18.559 17.496 2.395 1.00 2.01 O ATOM 1016 OD2 ASP A 64 19.829 15.663 2.377 1.00 3.21 O ATOM 0 H ASP A 64 15.714 13.810 2.780 1.00 1.64 H new ATOM 0 HA ASP A 64 17.820 14.597 4.354 1.00 1.83 H new ATOM 0 HB2 ASP A 64 17.687 14.466 1.850 1.00 1.71 H new ATOM 0 HB3 ASP A 64 16.688 15.905 1.840 1.00 1.71 H new ATOM 1021 N VAL A 65 15.491 16.929 4.254 1.00 2.00 N ATOM 1022 CA VAL A 65 14.981 18.125 4.910 1.00 2.16 C ATOM 1023 C VAL A 65 14.695 17.852 6.385 1.00 2.10 C ATOM 1024 O VAL A 65 15.337 18.426 7.264 1.00 2.42 O ATOM 1025 CB VAL A 65 13.728 18.630 4.170 1.00 2.23 C ATOM 1026 CG1 VAL A 65 13.016 19.773 4.902 1.00 2.82 C ATOM 1027 CG2 VAL A 65 14.124 19.143 2.789 1.00 3.08 C ATOM 0 H VAL A 65 14.878 16.575 3.520 1.00 2.00 H new ATOM 0 HA VAL A 65 15.739 18.908 4.869 1.00 2.16 H new ATOM 0 HB VAL A 65 13.045 17.783 4.111 1.00 2.23 H new ATOM 0 HG11 VAL A 65 12.142 20.083 4.329 1.00 2.82 H new ATOM 0 HG12 VAL A 65 12.701 19.433 5.889 1.00 2.82 H new ATOM 0 HG13 VAL A 65 13.698 20.617 5.009 1.00 2.82 H new ATOM 0 HG21 VAL A 65 13.237 19.500 2.266 1.00 3.08 H new ATOM 0 HG22 VAL A 65 14.837 19.961 2.895 1.00 3.08 H new ATOM 0 HG23 VAL A 65 14.581 18.335 2.218 1.00 3.08 H new ATOM 1037 N ASN A 66 13.666 17.049 6.672 1.00 1.71 N ATOM 1038 CA ASN A 66 13.166 16.869 8.042 1.00 1.48 C ATOM 1039 C ASN A 66 12.938 15.389 8.353 1.00 1.40 C ATOM 1040 O ASN A 66 11.851 14.981 8.765 1.00 1.35 O ATOM 1041 CB ASN A 66 11.876 17.686 8.274 1.00 1.46 C ATOM 1042 CG ASN A 66 12.033 19.196 8.477 1.00 1.74 C ATOM 1043 OD1 ASN A 66 11.035 19.893 8.617 1.00 2.13 O ATOM 1044 ND2 ASN A 66 13.245 19.744 8.513 1.00 3.08 N ATOM 0 H ASN A 66 13.159 16.509 5.970 1.00 1.71 H new ATOM 0 HA ASN A 66 13.928 17.243 8.726 1.00 1.48 H new ATOM 0 HB2 ASN A 66 11.217 17.526 7.421 1.00 1.46 H new ATOM 0 HB3 ASN A 66 11.370 17.278 9.149 1.00 1.46 H new ATOM 0 HD21 ASN A 66 13.346 20.749 8.658 1.00 3.08 H new ATOM 0 HD22 ASN A 66 14.073 19.159 8.396 1.00 3.08 H new ATOM 1051 N GLN A 67 13.993 14.582 8.236 1.00 1.45 N ATOM 1052 CA GLN A 67 13.898 13.153 8.456 1.00 1.39 C ATOM 1053 C GLN A 67 13.400 12.784 9.846 1.00 1.31 C ATOM 1054 O GLN A 67 12.577 11.881 10.005 1.00 1.13 O ATOM 1055 CB GLN A 67 15.208 12.436 8.148 1.00 1.46 C ATOM 1056 CG GLN A 67 16.457 13.243 8.539 1.00 1.46 C ATOM 1057 CD GLN A 67 17.664 12.331 8.606 1.00 2.89 C ATOM 1058 OE1 GLN A 67 18.188 12.126 9.805 1.00 3.33 O flip ATOM 1059 NE2 GLN A 67 18.081 11.746 7.615 1.00 4.34 N flip ATOM 0 H GLN A 67 14.928 14.905 7.987 1.00 1.45 H new ATOM 0 HA GLN A 67 13.143 12.808 7.749 1.00 1.39 H new ATOM 0 HB2 GLN A 67 15.223 11.482 8.674 1.00 1.46 H new ATOM 0 HB3 GLN A 67 15.249 12.213 7.082 1.00 1.46 H new ATOM 0 HG2 GLN A 67 16.630 14.036 7.811 1.00 1.46 H new ATOM 0 HG3 GLN A 67 16.301 13.725 9.504 1.00 1.46 H new ATOM 0 HE21 GLN A 67 17.659 11.923 6.703 1.00 4.34 H new ATOM 0 HE22 GLN A 67 18.850 11.082 7.701 1.00 4.34 H new ATOM 1068 N ASP A 68 13.948 13.458 10.855 1.00 1.55 N ATOM 1069 CA ASP A 68 13.782 13.073 12.245 1.00 1.73 C ATOM 1070 C ASP A 68 12.462 13.564 12.847 1.00 1.67 C ATOM 1071 O ASP A 68 12.332 13.654 14.065 1.00 2.00 O ATOM 1072 CB ASP A 68 15.021 13.522 13.037 1.00 2.61 C ATOM 1073 CG ASP A 68 15.466 12.448 14.017 1.00 3.98 C ATOM 1074 OD1 ASP A 68 15.701 11.324 13.520 1.00 4.94 O ATOM 1075 OD2 ASP A 68 15.610 12.775 15.213 1.00 4.71 O ATOM 0 H ASP A 68 14.522 14.291 10.725 1.00 1.55 H new ATOM 0 HA ASP A 68 13.710 11.987 12.306 1.00 1.73 H new ATOM 0 HB2 ASP A 68 15.834 13.748 12.347 1.00 2.61 H new ATOM 0 HB3 ASP A 68 14.797 14.441 13.578 1.00 2.61 H new ATOM 1080 N SER A 69 11.480 13.900 12.002 1.00 1.60 N ATOM 1081 CA SER A 69 10.158 14.307 12.448 1.00 1.71 C ATOM 1082 C SER A 69 9.371 13.047 12.828 1.00 1.76 C ATOM 1083 O SER A 69 9.479 12.552 13.947 1.00 3.22 O ATOM 1084 CB SER A 69 9.501 15.170 11.354 1.00 1.75 C ATOM 1085 OG SER A 69 8.209 15.605 11.734 1.00 2.02 O ATOM 0 H SER A 69 11.588 13.895 10.988 1.00 1.60 H new ATOM 0 HA SER A 69 10.193 14.934 13.339 1.00 1.71 H new ATOM 0 HB2 SER A 69 10.130 16.036 11.147 1.00 1.75 H new ATOM 0 HB3 SER A 69 9.434 14.596 10.430 1.00 1.75 H new ATOM 0 HG SER A 69 7.824 16.151 11.017 1.00 2.02 H new ATOM 1091 N GLU A 70 8.594 12.512 11.885 1.00 1.17 N ATOM 1092 CA GLU A 70 7.784 11.318 12.017 1.00 0.98 C ATOM 1093 C GLU A 70 7.176 11.055 10.642 1.00 1.12 C ATOM 1094 O GLU A 70 7.433 11.810 9.702 1.00 1.89 O ATOM 1095 CB GLU A 70 6.721 11.420 13.120 1.00 1.21 C ATOM 1096 CG GLU A 70 5.731 12.565 12.880 1.00 2.88 C ATOM 1097 CD GLU A 70 4.406 12.341 13.588 1.00 3.15 C ATOM 1098 OE1 GLU A 70 3.979 11.169 13.681 1.00 2.93 O ATOM 1099 OE2 GLU A 70 3.684 13.321 13.868 1.00 4.53 O ATOM 0 H GLU A 70 8.514 12.931 10.958 1.00 1.17 H new ATOM 0 HA GLU A 70 8.404 10.480 12.336 1.00 0.98 H new ATOM 0 HB2 GLU A 70 6.175 10.479 13.181 1.00 1.21 H new ATOM 0 HB3 GLU A 70 7.213 11.566 14.082 1.00 1.21 H new ATOM 0 HG2 GLU A 70 6.171 13.501 13.225 1.00 2.88 H new ATOM 0 HG3 GLU A 70 5.555 12.671 11.810 1.00 2.88 H new ATOM 1106 N LEU A 71 6.406 9.977 10.531 1.00 0.90 N ATOM 1107 CA LEU A 71 5.758 9.535 9.311 1.00 0.99 C ATOM 1108 C LEU A 71 4.449 8.852 9.720 1.00 0.98 C ATOM 1109 O LEU A 71 4.392 8.265 10.804 1.00 1.00 O ATOM 1110 CB LEU A 71 6.740 8.585 8.604 1.00 1.29 C ATOM 1111 CG LEU A 71 6.210 7.906 7.339 1.00 1.04 C ATOM 1112 CD1 LEU A 71 6.092 8.918 6.199 1.00 2.05 C ATOM 1113 CD2 LEU A 71 7.194 6.801 6.941 1.00 1.92 C ATOM 0 H LEU A 71 6.211 9.366 11.324 1.00 0.90 H new ATOM 0 HA LEU A 71 5.513 10.342 8.621 1.00 0.99 H new ATOM 0 HB2 LEU A 71 7.637 9.147 8.344 1.00 1.29 H new ATOM 0 HB3 LEU A 71 7.041 7.812 9.311 1.00 1.29 H new ATOM 0 HG LEU A 71 5.222 7.489 7.533 1.00 1.04 H new ATOM 0 HD11 LEU A 71 5.714 8.419 5.307 1.00 2.05 H new ATOM 0 HD12 LEU A 71 5.405 9.714 6.488 1.00 2.05 H new ATOM 0 HD13 LEU A 71 7.073 9.344 5.988 1.00 2.05 H new ATOM 0 HD21 LEU A 71 6.836 6.302 6.040 1.00 1.92 H new ATOM 0 HD22 LEU A 71 8.174 7.238 6.749 1.00 1.92 H new ATOM 0 HD23 LEU A 71 7.273 6.075 7.750 1.00 1.92 H new ATOM 1125 N LYS A 72 3.395 8.947 8.899 1.00 1.06 N ATOM 1126 CA LYS A 72 2.122 8.273 9.158 1.00 1.08 C ATOM 1127 C LYS A 72 1.847 7.175 8.119 1.00 0.92 C ATOM 1128 O LYS A 72 2.314 7.252 6.983 1.00 0.86 O ATOM 1129 CB LYS A 72 0.960 9.278 9.215 1.00 1.23 C ATOM 1130 CG LYS A 72 0.977 10.213 10.435 1.00 1.27 C ATOM 1131 CD LYS A 72 1.981 11.368 10.299 1.00 1.76 C ATOM 1132 CE LYS A 72 1.737 12.497 11.307 1.00 2.13 C ATOM 1133 NZ LYS A 72 1.748 12.027 12.707 1.00 2.80 N ATOM 0 H LYS A 72 3.404 9.494 8.038 1.00 1.06 H new ATOM 0 HA LYS A 72 2.200 7.795 10.134 1.00 1.08 H new ATOM 0 HB2 LYS A 72 0.978 9.885 8.310 1.00 1.23 H new ATOM 0 HB3 LYS A 72 0.020 8.726 9.211 1.00 1.23 H new ATOM 0 HG2 LYS A 72 -0.022 10.624 10.584 1.00 1.27 H new ATOM 0 HG3 LYS A 72 1.219 9.633 11.326 1.00 1.27 H new ATOM 0 HD2 LYS A 72 2.991 10.981 10.433 1.00 1.76 H new ATOM 0 HD3 LYS A 72 1.926 11.773 9.288 1.00 1.76 H new ATOM 0 HE2 LYS A 72 2.502 13.263 11.180 1.00 2.13 H new ATOM 0 HE3 LYS A 72 0.777 12.967 11.094 1.00 2.13 H new ATOM 0 HZ1 LYS A 72 2.084 12.791 13.327 1.00 2.80 H new ATOM 0 HZ2 LYS A 72 0.786 11.751 12.988 1.00 2.80 H new ATOM 0 HZ3 LYS A 72 2.382 11.207 12.793 1.00 2.80 H new ATOM 1147 N PHE A 73 1.064 6.156 8.497 1.00 0.92 N ATOM 1148 CA PHE A 73 0.704 5.001 7.673 1.00 0.85 C ATOM 1149 C PHE A 73 0.309 5.368 6.245 1.00 0.69 C ATOM 1150 O PHE A 73 0.752 4.745 5.284 1.00 0.63 O ATOM 1151 CB PHE A 73 -0.395 4.169 8.360 1.00 1.04 C ATOM 1152 CG PHE A 73 -1.710 4.898 8.590 1.00 1.00 C ATOM 1153 CD1 PHE A 73 -1.907 5.631 9.771 1.00 1.95 C ATOM 1154 CD2 PHE A 73 -2.696 4.930 7.588 1.00 2.50 C ATOM 1155 CE1 PHE A 73 -3.006 6.494 9.905 1.00 2.40 C ATOM 1156 CE2 PHE A 73 -3.794 5.795 7.716 1.00 3.35 C ATOM 1157 CZ PHE A 73 -3.951 6.583 8.872 1.00 2.82 C ATOM 0 H PHE A 73 0.647 6.115 9.427 1.00 0.92 H new ATOM 0 HA PHE A 73 1.605 4.394 7.582 1.00 0.85 H new ATOM 0 HB2 PHE A 73 -0.590 3.284 7.755 1.00 1.04 H new ATOM 0 HB3 PHE A 73 -0.018 3.821 9.322 1.00 1.04 H new ATOM 0 HD1 PHE A 73 -1.205 5.530 10.586 1.00 1.95 H new ATOM 0 HD2 PHE A 73 -2.609 4.291 6.722 1.00 2.50 H new ATOM 0 HE1 PHE A 73 -3.124 7.087 10.800 1.00 2.40 H new ATOM 0 HE2 PHE A 73 -4.524 5.856 6.922 1.00 3.35 H new ATOM 0 HZ PHE A 73 -4.794 7.252 8.963 1.00 2.82 H new ATOM 1167 N ASN A 74 -0.538 6.382 6.106 1.00 0.72 N ATOM 1168 CA ASN A 74 -1.053 6.828 4.819 1.00 0.76 C ATOM 1169 C ASN A 74 0.046 7.471 3.974 1.00 0.67 C ATOM 1170 O ASN A 74 -0.026 7.448 2.746 1.00 0.75 O ATOM 1171 CB ASN A 74 -2.258 7.758 4.995 1.00 1.02 C ATOM 1172 CG ASN A 74 -1.992 8.940 5.921 1.00 1.72 C ATOM 1173 OD1 ASN A 74 -1.811 10.068 5.473 1.00 2.26 O ATOM 1174 ND2 ASN A 74 -2.104 8.752 7.234 1.00 3.37 N ATOM 0 H ASN A 74 -0.890 6.924 6.895 1.00 0.72 H new ATOM 0 HA ASN A 74 -1.402 5.949 4.276 1.00 0.76 H new ATOM 0 HB2 ASN A 74 -2.560 8.135 4.018 1.00 1.02 H new ATOM 0 HB3 ASN A 74 -3.096 7.182 5.388 1.00 1.02 H new ATOM 0 HD21 ASN A 74 -2.039 9.547 7.870 1.00 3.37 H new ATOM 0 HD22 ASN A 74 -2.254 7.813 7.604 1.00 3.37 H new ATOM 1181 N GLU A 75 1.072 8.029 4.619 1.00 0.70 N ATOM 1182 CA GLU A 75 2.210 8.605 3.933 1.00 0.72 C ATOM 1183 C GLU A 75 3.179 7.512 3.515 1.00 0.66 C ATOM 1184 O GLU A 75 3.567 7.446 2.350 1.00 0.69 O ATOM 1185 CB GLU A 75 2.924 9.589 4.837 1.00 0.84 C ATOM 1186 CG GLU A 75 1.965 10.631 5.390 1.00 1.47 C ATOM 1187 CD GLU A 75 2.826 11.682 6.040 1.00 2.10 C ATOM 1188 OE1 GLU A 75 3.219 11.444 7.204 1.00 3.27 O ATOM 1189 OE2 GLU A 75 3.145 12.624 5.283 1.00 3.02 O ATOM 0 H GLU A 75 1.129 8.090 5.636 1.00 0.70 H new ATOM 0 HA GLU A 75 1.850 9.126 3.046 1.00 0.72 H new ATOM 0 HB2 GLU A 75 3.395 9.053 5.661 1.00 0.84 H new ATOM 0 HB3 GLU A 75 3.721 10.084 4.281 1.00 0.84 H new ATOM 0 HG2 GLU A 75 1.356 11.062 4.595 1.00 1.47 H new ATOM 0 HG3 GLU A 75 1.279 10.187 6.112 1.00 1.47 H new ATOM 1196 N TYR A 76 3.543 6.650 4.472 1.00 0.65 N ATOM 1197 CA TYR A 76 4.244 5.402 4.202 1.00 0.65 C ATOM 1198 C TYR A 76 3.647 4.793 2.939 1.00 0.58 C ATOM 1199 O TYR A 76 4.376 4.476 2.007 1.00 0.59 O ATOM 1200 CB TYR A 76 4.111 4.463 5.409 1.00 0.70 C ATOM 1201 CG TYR A 76 4.373 2.992 5.124 1.00 0.80 C ATOM 1202 CD1 TYR A 76 3.348 2.169 4.616 1.00 1.93 C ATOM 1203 CD2 TYR A 76 5.608 2.419 5.468 1.00 1.81 C ATOM 1204 CE1 TYR A 76 3.615 0.829 4.289 1.00 2.16 C ATOM 1205 CE2 TYR A 76 5.867 1.070 5.172 1.00 1.87 C ATOM 1206 CZ TYR A 76 4.885 0.285 4.544 1.00 1.35 C ATOM 1207 OH TYR A 76 5.168 -1.002 4.202 1.00 1.70 O ATOM 0 H TYR A 76 3.355 6.806 5.462 1.00 0.65 H new ATOM 0 HA TYR A 76 5.309 5.573 4.043 1.00 0.65 H new ATOM 0 HB2 TYR A 76 4.803 4.794 6.183 1.00 0.70 H new ATOM 0 HB3 TYR A 76 3.105 4.563 5.816 1.00 0.70 H new ATOM 0 HD1 TYR A 76 2.355 2.569 4.478 1.00 1.93 H new ATOM 0 HD2 TYR A 76 6.360 3.016 5.961 1.00 1.81 H new ATOM 0 HE1 TYR A 76 2.845 0.218 3.842 1.00 2.16 H new ATOM 0 HE2 TYR A 76 6.822 0.636 5.428 1.00 1.87 H new ATOM 0 HH TYR A 76 6.137 -1.144 4.236 1.00 1.70 H new ATOM 1217 N TRP A 77 2.314 4.705 2.901 1.00 0.53 N ATOM 1218 CA TRP A 77 1.575 4.224 1.755 1.00 0.50 C ATOM 1219 C TRP A 77 2.050 4.808 0.420 1.00 0.51 C ATOM 1220 O TRP A 77 2.794 4.135 -0.294 1.00 0.51 O ATOM 1221 CB TRP A 77 0.075 4.419 1.987 1.00 0.46 C ATOM 1222 CG TRP A 77 -0.680 3.228 1.591 1.00 0.46 C ATOM 1223 CD1 TRP A 77 -1.061 2.969 0.332 1.00 0.48 C ATOM 1224 CD2 TRP A 77 -1.177 2.147 2.418 1.00 0.45 C ATOM 1225 NE1 TRP A 77 -1.677 1.749 0.299 1.00 0.48 N ATOM 1226 CE2 TRP A 77 -1.836 1.226 1.563 1.00 0.46 C ATOM 1227 CE3 TRP A 77 -1.191 1.873 3.801 1.00 0.47 C ATOM 1228 CZ2 TRP A 77 -2.495 0.097 2.051 1.00 0.48 C ATOM 1229 CZ3 TRP A 77 -1.861 0.738 4.288 1.00 0.49 C ATOM 1230 CH2 TRP A 77 -2.509 -0.140 3.427 1.00 0.48 C ATOM 0 H TRP A 77 1.718 4.973 3.684 1.00 0.53 H new ATOM 0 HA TRP A 77 1.777 3.157 1.662 1.00 0.50 H new ATOM 0 HB2 TRP A 77 -0.108 4.636 3.039 1.00 0.46 H new ATOM 0 HB3 TRP A 77 -0.275 5.281 1.418 1.00 0.46 H new ATOM 0 HD1 TRP A 77 -0.907 3.618 -0.517 1.00 0.48 H new ATOM 0 HE1 TRP A 77 -1.981 1.284 -0.556 1.00 0.48 H new ATOM 0 HE3 TRP A 77 -0.686 2.537 4.487 1.00 0.47 H new ATOM 0 HZ2 TRP A 77 -2.988 -0.585 1.373 1.00 0.48 H new ATOM 0 HZ3 TRP A 77 -1.873 0.544 5.350 1.00 0.49 H new ATOM 0 HH2 TRP A 77 -3.023 -1.004 3.822 1.00 0.48 H new ATOM 1241 N ARG A 78 1.616 6.023 0.053 1.00 0.58 N ATOM 1242 CA ARG A 78 2.096 6.709 -1.141 1.00 0.63 C ATOM 1243 C ARG A 78 3.612 6.510 -1.335 1.00 0.60 C ATOM 1244 O ARG A 78 4.031 6.154 -2.428 1.00 0.62 O ATOM 1245 CB ARG A 78 1.683 8.196 -1.125 1.00 0.80 C ATOM 1246 CG ARG A 78 2.109 8.946 0.148 1.00 1.21 C ATOM 1247 CD ARG A 78 1.672 10.417 0.171 1.00 1.57 C ATOM 1248 NE ARG A 78 2.162 11.127 1.379 1.00 2.34 N ATOM 1249 CZ ARG A 78 1.875 12.405 1.692 1.00 2.96 C ATOM 1250 NH1 ARG A 78 1.148 13.124 0.830 1.00 3.28 N ATOM 1251 NH2 ARG A 78 2.289 12.979 2.831 1.00 3.96 N ATOM 0 H ARG A 78 0.922 6.552 0.581 1.00 0.58 H new ATOM 0 HA ARG A 78 1.618 6.259 -2.011 1.00 0.63 H new ATOM 0 HB2 ARG A 78 2.119 8.694 -1.991 1.00 0.80 H new ATOM 0 HB3 ARG A 78 0.600 8.264 -1.230 1.00 0.80 H new ATOM 0 HG2 ARG A 78 1.690 8.438 1.016 1.00 1.21 H new ATOM 0 HG3 ARG A 78 3.194 8.897 0.243 1.00 1.21 H new ATOM 0 HD2 ARG A 78 2.046 10.920 -0.721 1.00 1.57 H new ATOM 0 HD3 ARG A 78 0.584 10.472 0.135 1.00 1.57 H new ATOM 0 HE ARG A 78 2.761 10.608 2.020 1.00 2.34 H new ATOM 0 HH11 ARG A 78 0.825 12.702 -0.041 1.00 3.28 H new ATOM 0 HH12 ARG A 78 0.917 14.094 1.043 1.00 3.28 H new ATOM 0 HH21 ARG A 78 2.844 12.444 3.499 1.00 3.96 H new ATOM 0 HH22 ARG A 78 2.049 13.950 3.029 1.00 3.96 H new ATOM 1265 N LEU A 79 4.432 6.641 -0.281 1.00 0.58 N ATOM 1266 CA LEU A 79 5.879 6.454 -0.388 1.00 0.57 C ATOM 1267 C LEU A 79 6.270 5.055 -0.911 1.00 0.56 C ATOM 1268 O LEU A 79 7.083 4.959 -1.832 1.00 0.60 O ATOM 1269 CB LEU A 79 6.586 6.788 0.936 1.00 0.61 C ATOM 1270 CG LEU A 79 6.896 8.287 1.171 1.00 0.68 C ATOM 1271 CD1 LEU A 79 5.816 9.296 0.769 1.00 0.83 C ATOM 1272 CD2 LEU A 79 7.226 8.520 2.647 1.00 0.84 C ATOM 0 H LEU A 79 4.111 6.877 0.658 1.00 0.58 H new ATOM 0 HA LEU A 79 6.227 7.162 -1.140 1.00 0.57 H new ATOM 0 HB2 LEU A 79 5.966 6.431 1.758 1.00 0.61 H new ATOM 0 HB3 LEU A 79 7.522 6.231 0.977 1.00 0.61 H new ATOM 0 HG LEU A 79 7.735 8.478 0.502 1.00 0.68 H new ATOM 0 HD11 LEU A 79 6.163 10.306 0.987 1.00 0.83 H new ATOM 0 HD12 LEU A 79 5.612 9.205 -0.298 1.00 0.83 H new ATOM 0 HD13 LEU A 79 4.904 9.096 1.331 1.00 0.83 H new ATOM 0 HD21 LEU A 79 7.444 9.576 2.809 1.00 0.84 H new ATOM 0 HD22 LEU A 79 6.374 8.227 3.261 1.00 0.84 H new ATOM 0 HD23 LEU A 79 8.095 7.924 2.924 1.00 0.84 H new ATOM 1284 N ILE A 80 5.733 3.952 -0.372 1.00 0.56 N ATOM 1285 CA ILE A 80 6.036 2.646 -0.968 1.00 0.60 C ATOM 1286 C ILE A 80 5.395 2.573 -2.372 1.00 0.59 C ATOM 1287 O ILE A 80 5.946 1.967 -3.287 1.00 0.67 O ATOM 1288 CB ILE A 80 5.736 1.431 -0.047 1.00 0.62 C ATOM 1289 CG1 ILE A 80 4.306 0.928 -0.281 1.00 0.83 C ATOM 1290 CG2 ILE A 80 5.991 1.694 1.437 1.00 0.56 C ATOM 1291 CD1 ILE A 80 3.838 -0.298 0.504 1.00 0.61 C ATOM 0 H ILE A 80 5.114 3.934 0.439 1.00 0.56 H new ATOM 0 HA ILE A 80 7.116 2.565 -1.088 1.00 0.60 H new ATOM 0 HB ILE A 80 6.447 0.654 -0.327 1.00 0.62 H new ATOM 0 HG12 ILE A 80 3.623 1.748 -0.058 1.00 0.83 H new ATOM 0 HG13 ILE A 80 4.200 0.705 -1.343 1.00 0.83 H new ATOM 0 HG21 ILE A 80 5.758 0.797 2.011 1.00 0.56 H new ATOM 0 HG22 ILE A 80 7.038 1.957 1.585 1.00 0.56 H new ATOM 0 HG23 ILE A 80 5.359 2.515 1.775 1.00 0.56 H new ATOM 0 HD11 ILE A 80 2.809 -0.533 0.232 1.00 0.61 H new ATOM 0 HD12 ILE A 80 4.479 -1.148 0.268 1.00 0.61 H new ATOM 0 HD13 ILE A 80 3.893 -0.089 1.572 1.00 0.61 H new ATOM 1303 N GLY A 81 4.249 3.229 -2.573 1.00 0.53 N ATOM 1304 CA GLY A 81 3.644 3.397 -3.891 1.00 0.53 C ATOM 1305 C GLY A 81 4.624 4.000 -4.899 1.00 0.57 C ATOM 1306 O GLY A 81 4.667 3.606 -6.066 1.00 0.80 O ATOM 0 H GLY A 81 3.714 3.660 -1.819 1.00 0.53 H new ATOM 0 HA2 GLY A 81 3.297 2.430 -4.256 1.00 0.53 H new ATOM 0 HA3 GLY A 81 2.768 4.040 -3.808 1.00 0.53 H new ATOM 1310 N GLU A 82 5.414 4.967 -4.439 1.00 0.47 N ATOM 1311 CA GLU A 82 6.538 5.538 -5.153 1.00 0.47 C ATOM 1312 C GLU A 82 7.611 4.451 -5.376 1.00 0.53 C ATOM 1313 O GLU A 82 8.075 4.282 -6.503 1.00 0.63 O ATOM 1314 CB GLU A 82 7.019 6.800 -4.403 1.00 0.44 C ATOM 1315 CG GLU A 82 6.507 8.122 -5.014 1.00 1.01 C ATOM 1316 CD GLU A 82 5.004 8.358 -4.875 1.00 2.03 C ATOM 1317 OE1 GLU A 82 4.575 8.812 -3.792 1.00 2.74 O ATOM 1318 OE2 GLU A 82 4.307 8.148 -5.893 1.00 3.60 O ATOM 0 H GLU A 82 5.277 5.387 -3.520 1.00 0.47 H new ATOM 0 HA GLU A 82 6.262 5.875 -6.152 1.00 0.47 H new ATOM 0 HB2 GLU A 82 6.693 6.740 -3.365 1.00 0.44 H new ATOM 0 HB3 GLU A 82 8.109 6.813 -4.395 1.00 0.44 H new ATOM 0 HG2 GLU A 82 7.035 8.951 -4.543 1.00 1.01 H new ATOM 0 HG3 GLU A 82 6.766 8.140 -6.073 1.00 1.01 H new ATOM 1325 N LEU A 83 7.965 3.647 -4.359 1.00 0.53 N ATOM 1326 CA LEU A 83 8.962 2.590 -4.531 1.00 0.65 C ATOM 1327 C LEU A 83 8.577 1.615 -5.644 1.00 0.72 C ATOM 1328 O LEU A 83 9.423 1.230 -6.453 1.00 0.75 O ATOM 1329 CB LEU A 83 9.358 1.917 -3.203 1.00 0.78 C ATOM 1330 CG LEU A 83 8.803 0.509 -2.899 1.00 2.00 C ATOM 1331 CD1 LEU A 83 9.411 -0.600 -3.764 1.00 3.26 C ATOM 1332 CD2 LEU A 83 9.151 0.179 -1.450 1.00 2.52 C ATOM 0 H LEU A 83 7.576 3.712 -3.418 1.00 0.53 H new ATOM 0 HA LEU A 83 9.880 3.068 -4.873 1.00 0.65 H new ATOM 0 HB2 LEU A 83 10.446 1.859 -3.172 1.00 0.78 H new ATOM 0 HB3 LEU A 83 9.051 2.577 -2.392 1.00 0.78 H new ATOM 0 HG LEU A 83 7.733 0.539 -3.103 1.00 2.00 H new ATOM 0 HD11 LEU A 83 8.970 -1.558 -3.490 1.00 3.26 H new ATOM 0 HD12 LEU A 83 9.208 -0.394 -4.815 1.00 3.26 H new ATOM 0 HD13 LEU A 83 10.488 -0.637 -3.603 1.00 3.26 H new ATOM 0 HD21 LEU A 83 8.772 -0.812 -1.202 1.00 2.52 H new ATOM 0 HD22 LEU A 83 10.233 0.196 -1.323 1.00 2.52 H new ATOM 0 HD23 LEU A 83 8.696 0.917 -0.789 1.00 2.52 H new ATOM 1344 N ALA A 84 7.300 1.218 -5.712 1.00 0.77 N ATOM 1345 CA ALA A 84 6.816 0.392 -6.816 1.00 0.89 C ATOM 1346 C ALA A 84 7.159 1.004 -8.186 1.00 0.93 C ATOM 1347 O ALA A 84 7.339 0.281 -9.163 1.00 1.09 O ATOM 1348 CB ALA A 84 5.310 0.164 -6.665 1.00 0.94 C ATOM 0 H ALA A 84 6.590 1.455 -5.019 1.00 0.77 H new ATOM 0 HA ALA A 84 7.325 -0.571 -6.773 1.00 0.89 H new ATOM 0 HB1 ALA A 84 4.951 -0.452 -7.489 1.00 0.94 H new ATOM 0 HB2 ALA A 84 5.112 -0.342 -5.720 1.00 0.94 H new ATOM 0 HB3 ALA A 84 4.794 1.124 -6.678 1.00 0.94 H new ATOM 1354 N LYS A 85 7.240 2.337 -8.262 1.00 0.88 N ATOM 1355 CA LYS A 85 7.597 3.089 -9.456 1.00 1.00 C ATOM 1356 C LYS A 85 9.106 2.992 -9.705 1.00 0.94 C ATOM 1357 O LYS A 85 9.523 2.691 -10.823 1.00 1.05 O ATOM 1358 CB LYS A 85 7.136 4.543 -9.263 1.00 1.16 C ATOM 1359 CG LYS A 85 6.593 5.222 -10.522 1.00 1.35 C ATOM 1360 CD LYS A 85 6.275 6.671 -10.127 1.00 1.57 C ATOM 1361 CE LYS A 85 5.336 7.388 -11.103 1.00 2.24 C ATOM 1362 NZ LYS A 85 4.753 8.594 -10.476 1.00 3.53 N ATOM 0 H LYS A 85 7.050 2.938 -7.460 1.00 0.88 H new ATOM 0 HA LYS A 85 7.103 2.678 -10.336 1.00 1.00 H new ATOM 0 HB2 LYS A 85 6.363 4.564 -8.495 1.00 1.16 H new ATOM 0 HB3 LYS A 85 7.975 5.128 -8.887 1.00 1.16 H new ATOM 0 HG2 LYS A 85 7.326 5.191 -11.328 1.00 1.35 H new ATOM 0 HG3 LYS A 85 5.700 4.713 -10.884 1.00 1.35 H new ATOM 0 HD2 LYS A 85 5.825 6.676 -9.134 1.00 1.57 H new ATOM 0 HD3 LYS A 85 7.207 7.231 -10.057 1.00 1.57 H new ATOM 0 HE2 LYS A 85 5.884 7.668 -12.003 1.00 2.24 H new ATOM 0 HE3 LYS A 85 4.539 6.712 -11.412 1.00 2.24 H new ATOM 0 HZ1 LYS A 85 4.500 9.281 -11.214 1.00 3.53 H new ATOM 0 HZ2 LYS A 85 3.901 8.330 -9.942 1.00 3.53 H new ATOM 0 HZ3 LYS A 85 5.448 9.020 -9.830 1.00 3.53 H new ATOM 1376 N GLU A 86 9.913 3.244 -8.667 1.00 0.80 N ATOM 1377 CA GLU A 86 11.363 3.043 -8.674 1.00 0.75 C ATOM 1378 C GLU A 86 11.713 1.641 -9.198 1.00 0.75 C ATOM 1379 O GLU A 86 12.264 1.499 -10.291 1.00 0.85 O ATOM 1380 CB GLU A 86 11.896 3.250 -7.249 1.00 0.74 C ATOM 1381 CG GLU A 86 11.963 4.746 -6.914 1.00 0.89 C ATOM 1382 CD GLU A 86 11.510 5.068 -5.501 1.00 1.11 C ATOM 1383 OE1 GLU A 86 12.302 4.906 -4.550 1.00 2.09 O ATOM 1384 OE2 GLU A 86 10.376 5.570 -5.339 1.00 2.13 O ATOM 0 H GLU A 86 9.565 3.602 -7.778 1.00 0.80 H new ATOM 0 HA GLU A 86 11.832 3.765 -9.342 1.00 0.75 H new ATOM 0 HB2 GLU A 86 11.250 2.740 -6.535 1.00 0.74 H new ATOM 0 HB3 GLU A 86 12.887 2.806 -7.157 1.00 0.74 H new ATOM 0 HG2 GLU A 86 12.987 5.095 -7.048 1.00 0.89 H new ATOM 0 HG3 GLU A 86 11.343 5.297 -7.621 1.00 0.89 H new ATOM 1391 N ILE A 87 11.448 0.594 -8.409 1.00 0.72 N ATOM 1392 CA ILE A 87 11.914 -0.744 -8.753 1.00 0.81 C ATOM 1393 C ILE A 87 10.965 -1.418 -9.753 1.00 0.94 C ATOM 1394 O ILE A 87 10.092 -2.217 -9.411 1.00 1.08 O ATOM 1395 CB ILE A 87 12.296 -1.570 -7.507 1.00 0.87 C ATOM 1396 CG1 ILE A 87 13.390 -2.610 -7.835 1.00 1.29 C ATOM 1397 CG2 ILE A 87 11.122 -2.198 -6.746 1.00 1.20 C ATOM 1398 CD1 ILE A 87 13.170 -3.456 -9.093 1.00 1.43 C ATOM 0 H ILE A 87 10.919 0.650 -7.539 1.00 0.72 H new ATOM 0 HA ILE A 87 12.860 -0.666 -9.290 1.00 0.81 H new ATOM 0 HB ILE A 87 12.703 -0.839 -6.808 1.00 0.87 H new ATOM 0 HG12 ILE A 87 14.340 -2.086 -7.938 1.00 1.29 H new ATOM 0 HG13 ILE A 87 13.488 -3.283 -6.983 1.00 1.29 H new ATOM 0 HG21 ILE A 87 11.500 -2.756 -5.889 1.00 1.20 H new ATOM 0 HG22 ILE A 87 10.451 -1.412 -6.400 1.00 1.20 H new ATOM 0 HG23 ILE A 87 10.579 -2.873 -7.407 1.00 1.20 H new ATOM 0 HD11 ILE A 87 14.003 -4.148 -9.217 1.00 1.43 H new ATOM 0 HD12 ILE A 87 12.242 -4.020 -8.995 1.00 1.43 H new ATOM 0 HD13 ILE A 87 13.108 -2.804 -9.964 1.00 1.43 H new ATOM 1410 N ARG A 88 11.218 -1.177 -11.038 1.00 1.07 N ATOM 1411 CA ARG A 88 10.466 -1.821 -12.102 1.00 1.29 C ATOM 1412 C ARG A 88 11.030 -3.233 -12.291 1.00 1.49 C ATOM 1413 O ARG A 88 11.881 -3.456 -13.151 1.00 1.79 O ATOM 1414 CB ARG A 88 10.576 -1.000 -13.393 1.00 1.46 C ATOM 1415 CG ARG A 88 9.982 0.407 -13.227 1.00 2.07 C ATOM 1416 CD ARG A 88 9.952 1.153 -14.567 1.00 2.15 C ATOM 1417 NE ARG A 88 9.037 0.504 -15.521 1.00 2.38 N ATOM 1418 CZ ARG A 88 8.952 0.787 -16.832 1.00 2.91 C ATOM 1419 NH1 ARG A 88 9.710 1.757 -17.355 1.00 2.91 N ATOM 1420 NH2 ARG A 88 8.111 0.098 -17.611 1.00 4.14 N ATOM 0 H ARG A 88 11.942 -0.537 -11.364 1.00 1.07 H new ATOM 0 HA ARG A 88 9.409 -1.884 -11.845 1.00 1.29 H new ATOM 0 HB2 ARG A 88 11.623 -0.920 -13.685 1.00 1.46 H new ATOM 0 HB3 ARG A 88 10.059 -1.520 -14.200 1.00 1.46 H new ATOM 0 HG2 ARG A 88 8.972 0.334 -12.825 1.00 2.07 H new ATOM 0 HG3 ARG A 88 10.572 0.972 -12.505 1.00 2.07 H new ATOM 0 HD2 ARG A 88 9.639 2.184 -14.404 1.00 2.15 H new ATOM 0 HD3 ARG A 88 10.956 1.187 -14.989 1.00 2.15 H new ATOM 0 HE ARG A 88 8.417 -0.220 -15.157 1.00 2.38 H new ATOM 0 HH11 ARG A 88 10.351 2.280 -16.759 1.00 2.91 H new ATOM 0 HH12 ARG A 88 9.647 1.973 -18.350 1.00 2.91 H new ATOM 0 HH21 ARG A 88 7.535 -0.642 -17.210 1.00 4.14 H new ATOM 0 HH22 ARG A 88 8.046 0.312 -18.606 1.00 4.14 H new ATOM 1434 N LYS A 89 10.565 -4.164 -11.447 1.00 1.49 N ATOM 1435 CA LYS A 89 10.925 -5.583 -11.475 1.00 1.71 C ATOM 1436 C LYS A 89 11.016 -6.111 -12.911 1.00 2.33 C ATOM 1437 O LYS A 89 10.114 -5.859 -13.708 1.00 2.86 O ATOM 1438 CB LYS A 89 9.877 -6.445 -10.746 1.00 1.95 C ATOM 1439 CG LYS A 89 9.431 -5.943 -9.367 1.00 1.60 C ATOM 1440 CD LYS A 89 8.109 -5.156 -9.416 1.00 2.14 C ATOM 1441 CE LYS A 89 6.845 -6.036 -9.354 1.00 3.60 C ATOM 1442 NZ LYS A 89 6.525 -6.765 -10.602 1.00 5.90 N ATOM 0 H LYS A 89 9.906 -3.940 -10.702 1.00 1.49 H new ATOM 0 HA LYS A 89 11.893 -5.656 -10.979 1.00 1.71 H new ATOM 0 HB2 LYS A 89 8.996 -6.526 -11.383 1.00 1.95 H new ATOM 0 HB3 LYS A 89 10.280 -7.451 -10.631 1.00 1.95 H new ATOM 0 HG2 LYS A 89 9.317 -6.794 -8.695 1.00 1.60 H new ATOM 0 HG3 LYS A 89 10.211 -5.308 -8.947 1.00 1.60 H new ATOM 0 HD2 LYS A 89 8.088 -4.451 -8.585 1.00 2.14 H new ATOM 0 HD3 LYS A 89 8.084 -4.568 -10.333 1.00 2.14 H new ATOM 0 HE2 LYS A 89 6.965 -6.761 -8.549 1.00 3.60 H new ATOM 0 HE3 LYS A 89 5.995 -5.406 -9.092 1.00 3.60 H new ATOM 0 HZ1 LYS A 89 5.560 -7.147 -10.543 1.00 5.90 H new ATOM 0 HZ2 LYS A 89 6.591 -6.114 -11.411 1.00 5.90 H new ATOM 0 HZ3 LYS A 89 7.199 -7.546 -10.730 1.00 5.90 H new ATOM 1456 N LYS A 90 12.046 -6.907 -13.223 1.00 2.64 N ATOM 1457 CA LYS A 90 12.124 -7.553 -14.529 1.00 3.22 C ATOM 1458 C LYS A 90 10.914 -8.471 -14.743 1.00 2.86 C ATOM 1459 O LYS A 90 10.413 -8.563 -15.861 1.00 3.64 O ATOM 1460 CB LYS A 90 13.460 -8.285 -14.715 1.00 3.87 C ATOM 1461 CG LYS A 90 13.662 -8.650 -16.194 1.00 4.53 C ATOM 1462 CD LYS A 90 15.041 -9.281 -16.426 1.00 5.62 C ATOM 1463 CE LYS A 90 15.252 -9.715 -17.886 1.00 6.56 C ATOM 1464 NZ LYS A 90 15.250 -8.577 -18.832 1.00 7.03 N ATOM 0 H LYS A 90 12.824 -7.114 -12.596 1.00 2.64 H new ATOM 0 HA LYS A 90 12.090 -6.784 -15.300 1.00 3.22 H new ATOM 0 HB2 LYS A 90 14.280 -7.653 -14.373 1.00 3.87 H new ATOM 0 HB3 LYS A 90 13.477 -9.188 -14.104 1.00 3.87 H new ATOM 0 HG2 LYS A 90 12.884 -9.345 -16.510 1.00 4.53 H new ATOM 0 HG3 LYS A 90 13.560 -7.756 -16.809 1.00 4.53 H new ATOM 0 HD2 LYS A 90 15.815 -8.566 -16.147 1.00 5.62 H new ATOM 0 HD3 LYS A 90 15.156 -10.146 -15.773 1.00 5.62 H new ATOM 0 HE2 LYS A 90 16.200 -10.247 -17.968 1.00 6.56 H new ATOM 0 HE3 LYS A 90 14.467 -10.417 -18.168 1.00 6.56 H new ATOM 0 HZ1 LYS A 90 15.430 -8.926 -19.795 1.00 7.03 H new ATOM 0 HZ2 LYS A 90 14.325 -8.103 -18.803 1.00 7.03 H new ATOM 0 HZ3 LYS A 90 15.994 -7.901 -18.564 1.00 7.03 H new ATOM 1478 N LYS A 91 10.425 -9.114 -13.674 1.00 2.19 N ATOM 1479 CA LYS A 91 9.038 -9.558 -13.635 1.00 2.30 C ATOM 1480 C LYS A 91 8.495 -9.583 -12.201 1.00 2.54 C ATOM 1481 O LYS A 91 7.635 -8.768 -11.871 1.00 3.56 O ATOM 1482 CB LYS A 91 8.847 -10.889 -14.393 1.00 2.49 C ATOM 1483 CG LYS A 91 9.756 -12.050 -13.945 1.00 3.39 C ATOM 1484 CD LYS A 91 9.721 -13.245 -14.915 1.00 3.87 C ATOM 1485 CE LYS A 91 8.684 -14.318 -14.546 1.00 4.50 C ATOM 1486 NZ LYS A 91 7.301 -13.805 -14.498 1.00 4.85 N ATOM 0 H LYS A 91 10.967 -9.333 -12.838 1.00 2.19 H new ATOM 0 HA LYS A 91 8.432 -8.825 -14.168 1.00 2.30 H new ATOM 0 HB2 LYS A 91 7.809 -11.202 -14.284 1.00 2.49 H new ATOM 0 HB3 LYS A 91 9.016 -10.709 -15.455 1.00 2.49 H new ATOM 0 HG2 LYS A 91 10.781 -11.690 -13.857 1.00 3.39 H new ATOM 0 HG3 LYS A 91 9.449 -12.384 -12.954 1.00 3.39 H new ATOM 0 HD2 LYS A 91 9.508 -12.879 -15.919 1.00 3.87 H new ATOM 0 HD3 LYS A 91 10.709 -13.704 -14.946 1.00 3.87 H new ATOM 0 HE2 LYS A 91 8.738 -15.129 -15.272 1.00 4.50 H new ATOM 0 HE3 LYS A 91 8.940 -14.742 -13.575 1.00 4.50 H new ATOM 0 HZ1 LYS A 91 6.633 -14.598 -14.583 1.00 4.85 H new ATOM 0 HZ2 LYS A 91 7.143 -13.316 -13.594 1.00 4.85 H new ATOM 0 HZ3 LYS A 91 7.150 -13.139 -15.283 1.00 4.85 H new ATOM 1500 N ASP A 92 9.039 -10.431 -11.322 1.00 2.14 N ATOM 1501 CA ASP A 92 8.343 -10.864 -10.111 1.00 2.91 C ATOM 1502 C ASP A 92 9.374 -11.181 -9.033 1.00 2.05 C ATOM 1503 O ASP A 92 9.932 -12.276 -8.991 1.00 2.29 O ATOM 1504 CB ASP A 92 7.464 -12.088 -10.411 1.00 4.02 C ATOM 1505 CG ASP A 92 6.373 -11.775 -11.423 1.00 5.27 C ATOM 1506 OD1 ASP A 92 5.536 -10.901 -11.116 1.00 6.21 O ATOM 1507 OD2 ASP A 92 6.438 -12.380 -12.516 1.00 5.73 O ATOM 0 H ASP A 92 9.970 -10.834 -11.431 1.00 2.14 H new ATOM 0 HA ASP A 92 7.690 -10.067 -9.755 1.00 2.91 H new ATOM 0 HB2 ASP A 92 8.088 -12.898 -10.790 1.00 4.02 H new ATOM 0 HB3 ASP A 92 7.009 -12.442 -9.486 1.00 4.02 H new ATOM 1512 N LEU A 93 9.647 -10.183 -8.192 1.00 1.80 N ATOM 1513 CA LEU A 93 10.776 -10.155 -7.273 1.00 1.24 C ATOM 1514 C LEU A 93 11.031 -11.472 -6.534 1.00 0.93 C ATOM 1515 O LEU A 93 12.160 -11.958 -6.559 1.00 1.08 O ATOM 1516 CB LEU A 93 10.699 -8.921 -6.358 1.00 2.05 C ATOM 1517 CG LEU A 93 9.418 -8.821 -5.513 1.00 1.74 C ATOM 1518 CD1 LEU A 93 9.686 -9.303 -4.082 1.00 3.22 C ATOM 1519 CD2 LEU A 93 8.918 -7.373 -5.462 1.00 2.98 C ATOM 0 H LEU A 93 9.067 -9.346 -8.133 1.00 1.80 H new ATOM 0 HA LEU A 93 11.674 -10.050 -7.881 1.00 1.24 H new ATOM 0 HB2 LEU A 93 11.559 -8.929 -5.688 1.00 2.05 H new ATOM 0 HB3 LEU A 93 10.782 -8.025 -6.973 1.00 2.05 H new ATOM 0 HG LEU A 93 8.659 -9.451 -5.977 1.00 1.74 H new ATOM 0 HD11 LEU A 93 8.771 -9.227 -3.495 1.00 3.22 H new ATOM 0 HD12 LEU A 93 10.018 -10.341 -4.104 1.00 3.22 H new ATOM 0 HD13 LEU A 93 10.460 -8.684 -3.629 1.00 3.22 H new ATOM 0 HD21 LEU A 93 8.011 -7.322 -4.860 1.00 2.98 H new ATOM 0 HD22 LEU A 93 9.685 -6.739 -5.017 1.00 2.98 H new ATOM 0 HD23 LEU A 93 8.702 -7.027 -6.473 1.00 2.98 H new ATOM 1531 N LYS A 94 9.995 -12.086 -5.945 1.00 1.15 N ATOM 1532 CA LYS A 94 10.158 -13.274 -5.104 1.00 1.18 C ATOM 1533 C LYS A 94 10.812 -14.449 -5.837 1.00 1.50 C ATOM 1534 O LYS A 94 11.331 -15.353 -5.189 1.00 1.79 O ATOM 1535 CB LYS A 94 8.842 -13.715 -4.436 1.00 1.60 C ATOM 1536 CG LYS A 94 8.261 -12.607 -3.559 1.00 1.85 C ATOM 1537 CD LYS A 94 6.966 -12.999 -2.827 1.00 2.21 C ATOM 1538 CE LYS A 94 7.093 -13.653 -1.439 1.00 2.37 C ATOM 1539 NZ LYS A 94 5.828 -13.548 -0.666 1.00 3.03 N ATOM 0 H LYS A 94 9.028 -11.774 -6.039 1.00 1.15 H new ATOM 0 HA LYS A 94 10.844 -12.965 -4.315 1.00 1.18 H new ATOM 0 HB2 LYS A 94 8.118 -13.991 -5.203 1.00 1.60 H new ATOM 0 HB3 LYS A 94 9.020 -14.604 -3.831 1.00 1.60 H new ATOM 0 HG2 LYS A 94 9.008 -12.313 -2.821 1.00 1.85 H new ATOM 0 HG3 LYS A 94 8.064 -11.733 -4.180 1.00 1.85 H new ATOM 0 HD2 LYS A 94 6.358 -12.101 -2.719 1.00 2.21 H new ATOM 0 HD3 LYS A 94 6.413 -13.683 -3.470 1.00 2.21 H new ATOM 0 HE2 LYS A 94 7.363 -14.703 -1.554 1.00 2.37 H new ATOM 0 HE3 LYS A 94 7.900 -13.175 -0.884 1.00 2.37 H new ATOM 0 HZ1 LYS A 94 6.046 -13.474 0.348 1.00 3.03 H new ATOM 0 HZ2 LYS A 94 5.304 -12.703 -0.970 1.00 3.03 H new ATOM 0 HZ3 LYS A 94 5.247 -14.394 -0.834 1.00 3.03 H new ATOM 1553 N ILE A 95 10.809 -14.462 -7.176 1.00 1.63 N ATOM 1554 CA ILE A 95 11.554 -15.459 -7.933 1.00 2.00 C ATOM 1555 C ILE A 95 13.054 -15.455 -7.574 1.00 2.04 C ATOM 1556 O ILE A 95 13.764 -16.421 -7.849 1.00 2.44 O ATOM 1557 CB ILE A 95 11.276 -15.254 -9.431 1.00 2.07 C ATOM 1558 CG1 ILE A 95 11.331 -16.598 -10.171 1.00 2.19 C ATOM 1559 CG2 ILE A 95 12.214 -14.210 -10.057 1.00 2.29 C ATOM 1560 CD1 ILE A 95 10.827 -16.444 -11.605 1.00 2.40 C ATOM 0 H ILE A 95 10.298 -13.792 -7.751 1.00 1.63 H new ATOM 0 HA ILE A 95 11.213 -16.458 -7.663 1.00 2.00 H new ATOM 0 HB ILE A 95 10.268 -14.852 -9.535 1.00 2.07 H new ATOM 0 HG12 ILE A 95 12.354 -16.974 -10.178 1.00 2.19 H new ATOM 0 HG13 ILE A 95 10.725 -17.334 -9.644 1.00 2.19 H new ATOM 0 HG21 ILE A 95 11.980 -14.099 -11.116 1.00 2.29 H new ATOM 0 HG22 ILE A 95 12.080 -13.252 -9.554 1.00 2.29 H new ATOM 0 HG23 ILE A 95 13.248 -14.537 -9.946 1.00 2.29 H new ATOM 0 HD11 ILE A 95 10.874 -17.407 -12.113 1.00 2.40 H new ATOM 0 HD12 ILE A 95 9.796 -16.090 -11.592 1.00 2.40 H new ATOM 0 HD13 ILE A 95 11.451 -15.724 -12.135 1.00 2.40 H new ATOM 1572 N ARG A 96 13.554 -14.364 -6.981 1.00 1.77 N ATOM 1573 CA ARG A 96 14.902 -14.264 -6.444 1.00 2.02 C ATOM 1574 C ARG A 96 15.927 -14.526 -7.549 1.00 2.53 C ATOM 1575 O ARG A 96 16.905 -15.244 -7.341 1.00 3.78 O ATOM 1576 CB ARG A 96 15.078 -15.223 -5.256 1.00 2.42 C ATOM 1577 CG ARG A 96 16.312 -14.838 -4.422 1.00 2.34 C ATOM 1578 CD ARG A 96 17.109 -16.078 -4.013 1.00 3.87 C ATOM 1579 NE ARG A 96 18.285 -15.694 -3.218 1.00 4.18 N ATOM 1580 CZ ARG A 96 19.311 -16.505 -2.919 1.00 5.69 C ATOM 1581 NH1 ARG A 96 19.283 -17.783 -3.314 1.00 6.91 N ATOM 1582 NH2 ARG A 96 20.356 -16.037 -2.229 1.00 6.45 N ATOM 0 H ARG A 96 13.012 -13.508 -6.862 1.00 1.77 H new ATOM 0 HA ARG A 96 15.068 -13.253 -6.071 1.00 2.02 H new ATOM 0 HB2 ARG A 96 14.187 -15.199 -4.628 1.00 2.42 H new ATOM 0 HB3 ARG A 96 15.184 -16.245 -5.620 1.00 2.42 H new ATOM 0 HG2 ARG A 96 16.949 -14.166 -4.998 1.00 2.34 H new ATOM 0 HG3 ARG A 96 15.998 -14.294 -3.531 1.00 2.34 H new ATOM 0 HD2 ARG A 96 16.475 -16.751 -3.435 1.00 3.87 H new ATOM 0 HD3 ARG A 96 17.426 -16.624 -4.902 1.00 3.87 H new ATOM 0 HE ARG A 96 18.324 -14.737 -2.867 1.00 4.18 H new ATOM 0 HH11 ARG A 96 18.484 -18.137 -3.840 1.00 6.91 H new ATOM 0 HH12 ARG A 96 20.061 -18.403 -3.089 1.00 6.91 H new ATOM 0 HH21 ARG A 96 20.374 -15.062 -1.929 1.00 6.45 H new ATOM 0 HH22 ARG A 96 21.135 -16.655 -2.002 1.00 6.45 H new ATOM 1681 N GLU B 4 11.160 -14.994 -1.027 1.00 2.33 N ATOM 1682 CA GLU B 4 12.592 -14.724 -1.091 1.00 1.89 C ATOM 1683 C GLU B 4 12.935 -14.082 0.257 1.00 1.82 C ATOM 1684 O GLU B 4 12.008 -13.927 1.054 1.00 2.41 O ATOM 1685 CB GLU B 4 12.942 -13.876 -2.325 1.00 1.66 C ATOM 1686 CG GLU B 4 12.792 -12.342 -2.265 1.00 1.83 C ATOM 1687 CD GLU B 4 13.561 -11.639 -3.389 1.00 2.42 C ATOM 1688 OE1 GLU B 4 14.708 -12.066 -3.646 1.00 3.10 O ATOM 1689 OE2 GLU B 4 13.017 -10.664 -3.954 1.00 3.29 O ATOM 0 HA GLU B 4 13.197 -15.620 -1.229 1.00 1.89 H new ATOM 0 HB2 GLU B 4 13.978 -14.092 -2.585 1.00 1.66 H new ATOM 0 HB3 GLU B 4 12.325 -14.232 -3.150 1.00 1.66 H new ATOM 0 HG2 GLU B 4 11.736 -12.079 -2.330 1.00 1.83 H new ATOM 0 HG3 GLU B 4 13.151 -11.981 -1.301 1.00 1.83 H new ATOM 1696 N PRO B 5 14.193 -13.738 0.580 1.00 1.67 N ATOM 1697 CA PRO B 5 14.554 -13.292 1.922 1.00 1.83 C ATOM 1698 C PRO B 5 14.114 -11.840 2.198 1.00 1.54 C ATOM 1699 O PRO B 5 14.873 -11.051 2.756 1.00 1.83 O ATOM 1700 CB PRO B 5 16.070 -13.503 1.994 1.00 2.50 C ATOM 1701 CG PRO B 5 16.525 -13.246 0.557 1.00 2.23 C ATOM 1702 CD PRO B 5 15.357 -13.753 -0.294 1.00 1.89 C ATOM 0 HA PRO B 5 14.040 -13.853 2.703 1.00 1.83 H new ATOM 0 HB2 PRO B 5 16.540 -12.813 2.695 1.00 2.50 H new ATOM 0 HB3 PRO B 5 16.321 -14.512 2.322 1.00 2.50 H new ATOM 0 HG2 PRO B 5 16.717 -12.187 0.382 1.00 2.23 H new ATOM 0 HG3 PRO B 5 17.447 -13.780 0.328 1.00 2.23 H new ATOM 0 HD2 PRO B 5 15.201 -13.115 -1.164 1.00 1.89 H new ATOM 0 HD3 PRO B 5 15.553 -14.758 -0.667 1.00 1.89 H new ATOM 1710 N LEU B 6 12.881 -11.496 1.819 1.00 1.30 N ATOM 1711 CA LEU B 6 12.197 -10.256 2.144 1.00 1.36 C ATOM 1712 C LEU B 6 11.469 -10.353 3.482 1.00 1.20 C ATOM 1713 O LEU B 6 11.477 -11.400 4.127 1.00 1.41 O ATOM 1714 CB LEU B 6 11.252 -9.902 0.990 1.00 1.51 C ATOM 1715 CG LEU B 6 10.040 -10.850 0.862 1.00 1.35 C ATOM 1716 CD1 LEU B 6 8.784 -10.359 1.599 1.00 2.45 C ATOM 1717 CD2 LEU B 6 9.717 -11.074 -0.617 1.00 2.13 C ATOM 0 H LEU B 6 12.307 -12.114 1.246 1.00 1.30 H new ATOM 0 HA LEU B 6 12.925 -9.453 2.261 1.00 1.36 H new ATOM 0 HB2 LEU B 6 10.891 -8.883 1.128 1.00 1.51 H new ATOM 0 HB3 LEU B 6 11.813 -9.917 0.056 1.00 1.51 H new ATOM 0 HG LEU B 6 10.329 -11.785 1.342 1.00 1.35 H new ATOM 0 HD11 LEU B 6 7.977 -11.079 1.462 1.00 2.45 H new ATOM 0 HD12 LEU B 6 9.002 -10.257 2.662 1.00 2.45 H new ATOM 0 HD13 LEU B 6 8.481 -9.392 1.197 1.00 2.45 H new ATOM 0 HD21 LEU B 6 8.861 -11.743 -0.705 1.00 2.13 H new ATOM 0 HD22 LEU B 6 9.481 -10.119 -1.086 1.00 2.13 H new ATOM 0 HD23 LEU B 6 10.579 -11.519 -1.114 1.00 2.13 H new ATOM 1729 N THR B 7 10.868 -9.236 3.901 1.00 1.08 N ATOM 1730 CA THR B 7 10.124 -9.106 5.148 1.00 1.03 C ATOM 1731 C THR B 7 8.736 -8.512 4.859 1.00 0.95 C ATOM 1732 O THR B 7 8.532 -7.884 3.819 1.00 1.09 O ATOM 1733 CB THR B 7 10.956 -8.208 6.072 1.00 1.04 C ATOM 1734 OG1 THR B 7 12.250 -8.750 6.233 1.00 1.46 O ATOM 1735 CG2 THR B 7 10.361 -8.000 7.464 1.00 1.11 C ATOM 0 H THR B 7 10.889 -8.371 3.361 1.00 1.08 H new ATOM 0 HA THR B 7 9.960 -10.070 5.630 1.00 1.03 H new ATOM 0 HB THR B 7 10.974 -7.236 5.579 1.00 1.04 H new ATOM 0 HG1 THR B 7 12.776 -8.171 6.823 1.00 1.46 H new ATOM 0 HG21 THR B 7 11.016 -7.353 8.047 1.00 1.11 H new ATOM 0 HG22 THR B 7 9.379 -7.536 7.374 1.00 1.11 H new ATOM 0 HG23 THR B 7 10.263 -8.963 7.965 1.00 1.11 H new ATOM 1743 N GLU B 8 7.792 -8.682 5.789 1.00 0.93 N ATOM 1744 CA GLU B 8 6.393 -8.264 5.732 1.00 0.97 C ATOM 1745 C GLU B 8 6.161 -6.887 5.094 1.00 0.98 C ATOM 1746 O GLU B 8 5.230 -6.720 4.306 1.00 1.07 O ATOM 1747 CB GLU B 8 5.724 -8.365 7.120 1.00 1.09 C ATOM 1748 CG GLU B 8 6.642 -8.331 8.357 1.00 2.11 C ATOM 1749 CD GLU B 8 7.274 -9.680 8.689 1.00 2.12 C ATOM 1750 OE1 GLU B 8 7.495 -10.453 7.728 1.00 2.81 O ATOM 1751 OE2 GLU B 8 7.525 -9.924 9.885 1.00 2.91 O ATOM 0 H GLU B 8 8.005 -9.152 6.669 1.00 0.93 H new ATOM 0 HA GLU B 8 5.910 -8.970 5.056 1.00 0.97 H new ATOM 0 HB2 GLU B 8 5.009 -7.547 7.209 1.00 1.09 H new ATOM 0 HB3 GLU B 8 5.152 -9.292 7.151 1.00 1.09 H new ATOM 0 HG2 GLU B 8 7.433 -7.600 8.191 1.00 2.11 H new ATOM 0 HG3 GLU B 8 6.066 -7.988 9.217 1.00 2.11 H new ATOM 1758 N LEU B 9 6.997 -5.896 5.426 1.00 1.01 N ATOM 1759 CA LEU B 9 6.908 -4.568 4.827 1.00 1.14 C ATOM 1760 C LEU B 9 6.926 -4.679 3.297 1.00 1.24 C ATOM 1761 O LEU B 9 6.101 -4.065 2.623 1.00 1.50 O ATOM 1762 CB LEU B 9 8.055 -3.659 5.304 1.00 1.21 C ATOM 1763 CG LEU B 9 8.013 -3.163 6.763 1.00 1.23 C ATOM 1764 CD1 LEU B 9 6.712 -2.425 7.097 1.00 1.87 C ATOM 1765 CD2 LEU B 9 8.285 -4.252 7.806 1.00 2.01 C ATOM 0 H LEU B 9 7.746 -5.995 6.111 1.00 1.01 H new ATOM 0 HA LEU B 9 5.968 -4.118 5.145 1.00 1.14 H new ATOM 0 HB2 LEU B 9 8.992 -4.196 5.159 1.00 1.21 H new ATOM 0 HB3 LEU B 9 8.084 -2.785 4.653 1.00 1.21 H new ATOM 0 HG LEU B 9 8.840 -2.456 6.824 1.00 1.23 H new ATOM 0 HD11 LEU B 9 6.736 -2.098 8.136 1.00 1.87 H new ATOM 0 HD12 LEU B 9 6.608 -1.557 6.446 1.00 1.87 H new ATOM 0 HD13 LEU B 9 5.865 -3.095 6.947 1.00 1.87 H new ATOM 0 HD21 LEU B 9 8.237 -3.819 8.805 1.00 2.01 H new ATOM 0 HD22 LEU B 9 7.536 -5.038 7.715 1.00 2.01 H new ATOM 0 HD23 LEU B 9 9.276 -4.674 7.641 1.00 2.01 H new ATOM 1777 N GLU B 10 7.848 -5.480 2.751 1.00 1.12 N ATOM 1778 CA GLU B 10 7.879 -5.769 1.326 1.00 1.18 C ATOM 1779 C GLU B 10 6.710 -6.672 0.942 1.00 1.18 C ATOM 1780 O GLU B 10 6.095 -6.447 -0.091 1.00 1.26 O ATOM 1781 CB GLU B 10 9.217 -6.385 0.913 1.00 1.09 C ATOM 1782 CG GLU B 10 9.405 -6.450 -0.617 1.00 1.19 C ATOM 1783 CD GLU B 10 8.466 -7.362 -1.396 1.00 2.23 C ATOM 1784 OE1 GLU B 10 8.283 -8.511 -0.954 1.00 3.48 O ATOM 1785 OE2 GLU B 10 7.946 -6.883 -2.428 1.00 3.16 O ATOM 0 H GLU B 10 8.585 -5.939 3.286 1.00 1.12 H new ATOM 0 HA GLU B 10 7.776 -4.829 0.784 1.00 1.18 H new ATOM 0 HB2 GLU B 10 10.029 -5.802 1.349 1.00 1.09 H new ATOM 0 HB3 GLU B 10 9.290 -7.391 1.325 1.00 1.09 H new ATOM 0 HG2 GLU B 10 9.301 -5.440 -1.013 1.00 1.19 H new ATOM 0 HG3 GLU B 10 10.428 -6.767 -0.818 1.00 1.19 H new ATOM 1792 N GLU B 11 6.361 -7.668 1.761 1.00 1.15 N ATOM 1793 CA GLU B 11 5.268 -8.586 1.423 1.00 1.18 C ATOM 1794 C GLU B 11 3.982 -7.827 1.008 1.00 1.12 C ATOM 1795 O GLU B 11 3.192 -8.302 0.192 1.00 1.21 O ATOM 1796 CB GLU B 11 5.066 -9.598 2.562 1.00 1.36 C ATOM 1797 CG GLU B 11 4.356 -10.892 2.124 1.00 1.70 C ATOM 1798 CD GLU B 11 5.038 -12.149 2.656 1.00 1.90 C ATOM 1799 OE1 GLU B 11 5.306 -12.197 3.881 1.00 2.79 O ATOM 1800 OE2 GLU B 11 5.321 -13.039 1.818 1.00 2.32 O ATOM 0 H GLU B 11 6.814 -7.859 2.655 1.00 1.15 H new ATOM 0 HA GLU B 11 5.540 -9.161 0.538 1.00 1.18 H new ATOM 0 HB2 GLU B 11 6.037 -9.853 2.986 1.00 1.36 H new ATOM 0 HB3 GLU B 11 4.486 -9.127 3.356 1.00 1.36 H new ATOM 0 HG2 GLU B 11 3.323 -10.870 2.471 1.00 1.70 H new ATOM 0 HG3 GLU B 11 4.325 -10.934 1.035 1.00 1.70 H new ATOM 1807 N SER B 12 3.806 -6.595 1.500 1.00 1.07 N ATOM 1808 CA SER B 12 2.844 -5.645 0.952 1.00 1.26 C ATOM 1809 C SER B 12 2.989 -5.441 -0.571 1.00 1.06 C ATOM 1810 O SER B 12 2.022 -5.653 -1.309 1.00 1.08 O ATOM 1811 CB SER B 12 2.975 -4.309 1.693 1.00 1.68 C ATOM 1812 OG SER B 12 1.941 -3.419 1.318 1.00 3.37 O ATOM 0 H SER B 12 4.333 -6.232 2.294 1.00 1.07 H new ATOM 0 HA SER B 12 1.849 -6.063 1.104 1.00 1.26 H new ATOM 0 HB2 SER B 12 2.940 -4.481 2.769 1.00 1.68 H new ATOM 0 HB3 SER B 12 3.944 -3.860 1.473 1.00 1.68 H new ATOM 0 HG SER B 12 2.204 -2.501 1.537 1.00 3.37 H new ATOM 1818 N ILE B 13 4.162 -4.989 -1.050 1.00 1.00 N ATOM 1819 CA ILE B 13 4.354 -4.641 -2.455 1.00 0.98 C ATOM 1820 C ILE B 13 3.995 -5.838 -3.328 1.00 0.78 C ATOM 1821 O ILE B 13 3.132 -5.722 -4.199 1.00 0.75 O ATOM 1822 CB ILE B 13 5.765 -4.131 -2.866 1.00 1.19 C ATOM 1823 CG1 ILE B 13 6.815 -3.761 -1.815 1.00 2.00 C ATOM 1824 CG2 ILE B 13 5.651 -3.002 -3.899 1.00 0.96 C ATOM 1825 CD1 ILE B 13 6.491 -2.629 -0.848 1.00 0.81 C ATOM 0 H ILE B 13 4.993 -4.858 -0.473 1.00 1.00 H new ATOM 0 HA ILE B 13 3.692 -3.789 -2.609 1.00 0.98 H new ATOM 0 HB ILE B 13 6.186 -5.056 -3.261 1.00 1.19 H new ATOM 0 HG12 ILE B 13 7.027 -4.653 -1.226 1.00 2.00 H new ATOM 0 HG13 ILE B 13 7.734 -3.500 -2.339 1.00 2.00 H new ATOM 0 HG21 ILE B 13 6.648 -2.658 -4.174 1.00 0.96 H new ATOM 0 HG22 ILE B 13 5.137 -3.371 -4.786 1.00 0.96 H new ATOM 0 HG23 ILE B 13 5.087 -2.173 -3.471 1.00 0.96 H new ATOM 0 HD11 ILE B 13 7.328 -2.483 -0.165 1.00 0.81 H new ATOM 0 HD12 ILE B 13 6.316 -1.711 -1.408 1.00 0.81 H new ATOM 0 HD13 ILE B 13 5.597 -2.882 -0.278 1.00 0.81 H new ATOM 1837 N GLU B 14 4.689 -6.962 -3.105 1.00 0.78 N ATOM 1838 CA GLU B 14 4.589 -8.138 -3.954 1.00 0.82 C ATOM 1839 C GLU B 14 3.125 -8.562 -4.118 1.00 0.80 C ATOM 1840 O GLU B 14 2.663 -8.777 -5.242 1.00 0.84 O ATOM 1841 CB GLU B 14 5.525 -9.243 -3.453 1.00 1.04 C ATOM 1842 CG GLU B 14 5.042 -9.928 -2.171 1.00 1.54 C ATOM 1843 CD GLU B 14 4.153 -11.141 -2.431 1.00 2.61 C ATOM 1844 OE1 GLU B 14 3.732 -11.336 -3.589 1.00 3.09 O ATOM 1845 OE2 GLU B 14 4.033 -11.943 -1.482 1.00 3.89 O ATOM 0 H GLU B 14 5.336 -7.073 -2.325 1.00 0.78 H new ATOM 0 HA GLU B 14 4.934 -7.902 -4.961 1.00 0.82 H new ATOM 0 HB2 GLU B 14 5.637 -9.994 -4.235 1.00 1.04 H new ATOM 0 HB3 GLU B 14 6.513 -8.817 -3.276 1.00 1.04 H new ATOM 0 HG2 GLU B 14 5.907 -10.240 -1.586 1.00 1.54 H new ATOM 0 HG3 GLU B 14 4.492 -9.206 -1.567 1.00 1.54 H new ATOM 1852 N THR B 15 2.377 -8.590 -3.007 1.00 0.77 N ATOM 1853 CA THR B 15 0.982 -8.988 -3.021 1.00 0.80 C ATOM 1854 C THR B 15 0.206 -8.055 -3.945 1.00 0.77 C ATOM 1855 O THR B 15 -0.492 -8.512 -4.848 1.00 0.84 O ATOM 1856 CB THR B 15 0.380 -9.026 -1.609 1.00 0.86 C ATOM 1857 OG1 THR B 15 1.150 -9.869 -0.779 1.00 1.00 O ATOM 1858 CG2 THR B 15 -1.034 -9.614 -1.668 1.00 0.96 C ATOM 0 H THR B 15 2.728 -8.337 -2.083 1.00 0.77 H new ATOM 0 HA THR B 15 0.910 -10.006 -3.403 1.00 0.80 H new ATOM 0 HB THR B 15 0.364 -8.010 -1.216 1.00 0.86 H new ATOM 0 HG1 THR B 15 1.831 -9.338 -0.316 1.00 1.00 H new ATOM 0 HG21 THR B 15 -1.459 -9.640 -0.665 1.00 0.96 H new ATOM 0 HG22 THR B 15 -1.659 -8.995 -2.311 1.00 0.96 H new ATOM 0 HG23 THR B 15 -0.991 -10.626 -2.070 1.00 0.96 H new ATOM 1866 N VAL B 16 0.332 -6.742 -3.753 1.00 0.71 N ATOM 1867 CA VAL B 16 -0.377 -5.789 -4.588 1.00 0.70 C ATOM 1868 C VAL B 16 -0.012 -5.983 -6.066 1.00 0.72 C ATOM 1869 O VAL B 16 -0.888 -6.101 -6.925 1.00 0.76 O ATOM 1870 CB VAL B 16 -0.083 -4.369 -4.091 1.00 0.66 C ATOM 1871 CG1 VAL B 16 -0.565 -3.364 -5.132 1.00 0.70 C ATOM 1872 CG2 VAL B 16 -0.779 -4.105 -2.751 1.00 0.81 C ATOM 0 H VAL B 16 0.916 -6.322 -3.030 1.00 0.71 H new ATOM 0 HA VAL B 16 -1.451 -5.957 -4.513 1.00 0.70 H new ATOM 0 HB VAL B 16 0.992 -4.263 -3.943 1.00 0.66 H new ATOM 0 HG11 VAL B 16 -0.358 -2.352 -4.784 1.00 0.70 H new ATOM 0 HG12 VAL B 16 -0.044 -3.537 -6.074 1.00 0.70 H new ATOM 0 HG13 VAL B 16 -1.638 -3.484 -5.284 1.00 0.70 H new ATOM 0 HG21 VAL B 16 -0.556 -3.091 -2.419 1.00 0.81 H new ATOM 0 HG22 VAL B 16 -1.856 -4.218 -2.872 1.00 0.81 H new ATOM 0 HG23 VAL B 16 -0.421 -4.818 -2.008 1.00 0.81 H new ATOM 1882 N VAL B 17 1.281 -5.997 -6.389 1.00 0.76 N ATOM 1883 CA VAL B 17 1.683 -6.067 -7.787 1.00 0.84 C ATOM 1884 C VAL B 17 1.226 -7.376 -8.444 1.00 0.84 C ATOM 1885 O VAL B 17 0.708 -7.348 -9.563 1.00 0.84 O ATOM 1886 CB VAL B 17 3.164 -5.718 -8.000 1.00 0.78 C ATOM 1887 CG1 VAL B 17 3.454 -4.290 -7.512 1.00 0.99 C ATOM 1888 CG2 VAL B 17 4.081 -6.705 -7.286 1.00 0.78 C ATOM 0 H VAL B 17 2.049 -5.962 -5.718 1.00 0.76 H new ATOM 0 HA VAL B 17 1.152 -5.280 -8.322 1.00 0.84 H new ATOM 0 HB VAL B 17 3.365 -5.781 -9.069 1.00 0.78 H new ATOM 0 HG11 VAL B 17 4.507 -4.058 -7.670 1.00 0.99 H new ATOM 0 HG12 VAL B 17 2.839 -3.583 -8.070 1.00 0.99 H new ATOM 0 HG13 VAL B 17 3.221 -4.214 -6.450 1.00 0.99 H new ATOM 0 HG21 VAL B 17 5.121 -6.427 -7.459 1.00 0.78 H new ATOM 0 HG22 VAL B 17 3.874 -6.686 -6.216 1.00 0.78 H new ATOM 0 HG23 VAL B 17 3.905 -7.709 -7.672 1.00 0.78 H new ATOM 1898 N THR B 18 1.359 -8.519 -7.761 1.00 0.91 N ATOM 1899 CA THR B 18 0.837 -9.769 -8.308 1.00 1.02 C ATOM 1900 C THR B 18 -0.693 -9.721 -8.386 1.00 1.01 C ATOM 1901 O THR B 18 -1.274 -10.281 -9.315 1.00 1.09 O ATOM 1902 CB THR B 18 1.380 -11.006 -7.570 1.00 1.32 C ATOM 1903 OG1 THR B 18 1.245 -12.147 -8.395 1.00 1.74 O ATOM 1904 CG2 THR B 18 0.688 -11.290 -6.238 1.00 1.41 C ATOM 0 H THR B 18 1.813 -8.602 -6.851 1.00 0.91 H new ATOM 0 HA THR B 18 1.203 -9.875 -9.329 1.00 1.02 H new ATOM 0 HB THR B 18 2.425 -10.787 -7.349 1.00 1.32 H new ATOM 0 HG1 THR B 18 1.592 -12.934 -7.925 1.00 1.74 H new ATOM 0 HG21 THR B 18 1.128 -12.177 -5.781 1.00 1.41 H new ATOM 0 HG22 THR B 18 0.817 -10.437 -5.572 1.00 1.41 H new ATOM 0 HG23 THR B 18 -0.375 -11.460 -6.409 1.00 1.41 H new ATOM 1912 N THR B 19 -1.359 -9.042 -7.448 1.00 0.97 N ATOM 1913 CA THR B 19 -2.802 -8.857 -7.500 1.00 0.99 C ATOM 1914 C THR B 19 -3.218 -8.159 -8.802 1.00 1.03 C ATOM 1915 O THR B 19 -4.169 -8.608 -9.436 1.00 1.15 O ATOM 1916 CB THR B 19 -3.291 -8.160 -6.226 1.00 1.02 C ATOM 1917 OG1 THR B 19 -3.113 -9.027 -5.129 1.00 1.08 O ATOM 1918 CG2 THR B 19 -4.762 -7.766 -6.255 1.00 1.10 C ATOM 0 H THR B 19 -0.912 -8.610 -6.639 1.00 0.97 H new ATOM 0 HA THR B 19 -3.299 -9.827 -7.523 1.00 0.99 H new ATOM 0 HB THR B 19 -2.704 -7.245 -6.145 1.00 1.02 H new ATOM 0 HG1 THR B 19 -2.177 -9.002 -4.841 1.00 1.08 H new ATOM 0 HG21 THR B 19 -5.027 -7.279 -5.316 1.00 1.10 H new ATOM 0 HG22 THR B 19 -4.938 -7.079 -7.083 1.00 1.10 H new ATOM 0 HG23 THR B 19 -5.375 -8.658 -6.387 1.00 1.10 H new ATOM 1926 N PHE B 20 -2.506 -7.116 -9.257 1.00 0.99 N ATOM 1927 CA PHE B 20 -2.805 -6.536 -10.574 1.00 1.05 C ATOM 1928 C PHE B 20 -2.766 -7.602 -11.672 1.00 1.22 C ATOM 1929 O PHE B 20 -3.625 -7.627 -12.552 1.00 1.37 O ATOM 1930 CB PHE B 20 -1.828 -5.421 -10.965 1.00 1.01 C ATOM 1931 CG PHE B 20 -1.809 -4.212 -10.058 1.00 0.96 C ATOM 1932 CD1 PHE B 20 -2.984 -3.480 -9.812 1.00 1.21 C ATOM 1933 CD2 PHE B 20 -0.584 -3.740 -9.567 1.00 2.03 C ATOM 1934 CE1 PHE B 20 -2.936 -2.342 -8.988 1.00 1.21 C ATOM 1935 CE2 PHE B 20 -0.561 -2.704 -8.624 1.00 2.10 C ATOM 1936 CZ PHE B 20 -1.738 -1.996 -8.339 1.00 1.11 C ATOM 0 H PHE B 20 -1.742 -6.669 -8.750 1.00 0.99 H new ATOM 0 HA PHE B 20 -3.807 -6.115 -10.486 1.00 1.05 H new ATOM 0 HB2 PHE B 20 -0.823 -5.841 -11.000 1.00 1.01 H new ATOM 0 HB3 PHE B 20 -2.070 -5.090 -11.975 1.00 1.01 H new ATOM 0 HD1 PHE B 20 -3.919 -3.791 -10.254 1.00 1.21 H new ATOM 0 HD2 PHE B 20 0.341 -4.174 -9.915 1.00 2.03 H new ATOM 0 HE1 PHE B 20 -3.819 -1.734 -8.854 1.00 1.21 H new ATOM 0 HE2 PHE B 20 0.359 -2.451 -8.118 1.00 2.10 H new ATOM 0 HZ PHE B 20 -1.724 -1.187 -7.623 1.00 1.11 H new ATOM 1946 N PHE B 21 -1.748 -8.466 -11.640 1.00 1.30 N ATOM 1947 CA PHE B 21 -1.635 -9.554 -12.603 1.00 1.53 C ATOM 1948 C PHE B 21 -2.845 -10.485 -12.471 1.00 1.65 C ATOM 1949 O PHE B 21 -3.431 -10.908 -13.466 1.00 1.91 O ATOM 1950 CB PHE B 21 -0.305 -10.302 -12.414 1.00 1.68 C ATOM 1951 CG PHE B 21 0.175 -11.102 -13.617 1.00 2.08 C ATOM 1952 CD1 PHE B 21 -0.519 -12.260 -14.021 1.00 2.49 C ATOM 1953 CD2 PHE B 21 1.423 -10.806 -14.201 1.00 3.15 C ATOM 1954 CE1 PHE B 21 0.044 -13.128 -14.972 1.00 3.31 C ATOM 1955 CE2 PHE B 21 2.009 -11.701 -15.112 1.00 3.73 C ATOM 1956 CZ PHE B 21 1.328 -12.874 -15.482 1.00 3.62 C ATOM 0 H PHE B 21 -0.992 -8.430 -10.956 1.00 1.30 H new ATOM 0 HA PHE B 21 -1.633 -9.150 -13.615 1.00 1.53 H new ATOM 0 HB2 PHE B 21 0.465 -9.577 -12.151 1.00 1.68 H new ATOM 0 HB3 PHE B 21 -0.407 -10.980 -11.566 1.00 1.68 H new ATOM 0 HD1 PHE B 21 -1.488 -12.481 -13.598 1.00 2.49 H new ATOM 0 HD2 PHE B 21 1.931 -9.887 -13.947 1.00 3.15 H new ATOM 0 HE1 PHE B 21 -0.511 -13.991 -15.311 1.00 3.31 H new ATOM 0 HE2 PHE B 21 2.983 -11.488 -15.528 1.00 3.73 H new ATOM 0 HZ PHE B 21 1.791 -13.578 -16.157 1.00 3.62 H new ATOM 1966 N THR B 22 -3.221 -10.800 -11.234 1.00 1.60 N ATOM 1967 CA THR B 22 -4.292 -11.728 -10.903 1.00 1.84 C ATOM 1968 C THR B 22 -5.627 -10.976 -10.949 1.00 1.79 C ATOM 1969 O THR B 22 -6.301 -10.804 -9.935 1.00 1.85 O ATOM 1970 CB THR B 22 -4.000 -12.349 -9.525 1.00 2.10 C ATOM 1971 OG1 THR B 22 -2.632 -12.713 -9.446 1.00 3.20 O ATOM 1972 CG2 THR B 22 -4.838 -13.606 -9.276 1.00 2.37 C ATOM 0 H THR B 22 -2.772 -10.402 -10.409 1.00 1.60 H new ATOM 0 HA THR B 22 -4.354 -12.545 -11.622 1.00 1.84 H new ATOM 0 HB THR B 22 -4.253 -11.601 -8.774 1.00 2.10 H new ATOM 0 HG1 THR B 22 -2.088 -11.911 -9.302 1.00 3.20 H new ATOM 0 HG21 THR B 22 -4.601 -14.012 -8.293 1.00 2.37 H new ATOM 0 HG22 THR B 22 -5.897 -13.351 -9.318 1.00 2.37 H new ATOM 0 HG23 THR B 22 -4.613 -14.350 -10.040 1.00 2.37 H new ATOM 2097 N LYS B 30 -3.830 -4.063 -17.934 1.00 1.88 N ATOM 2098 CA LYS B 30 -3.401 -2.817 -18.558 1.00 2.03 C ATOM 2099 C LYS B 30 -2.387 -2.090 -17.672 1.00 1.90 C ATOM 2100 O LYS B 30 -1.348 -1.644 -18.150 1.00 2.70 O ATOM 2101 CB LYS B 30 -4.629 -1.952 -18.897 1.00 2.38 C ATOM 2102 CG LYS B 30 -5.478 -1.544 -17.677 1.00 3.71 C ATOM 2103 CD LYS B 30 -6.841 -0.952 -18.063 1.00 4.40 C ATOM 2104 CE LYS B 30 -6.709 0.326 -18.904 1.00 4.15 C ATOM 2105 NZ LYS B 30 -8.018 0.966 -19.149 1.00 5.30 N ATOM 0 HA LYS B 30 -2.890 -3.034 -19.496 1.00 2.03 H new ATOM 0 HB2 LYS B 30 -4.293 -1.050 -19.408 1.00 2.38 H new ATOM 0 HB3 LYS B 30 -5.261 -2.498 -19.597 1.00 2.38 H new ATOM 0 HG2 LYS B 30 -5.634 -2.416 -17.042 1.00 3.71 H new ATOM 0 HG3 LYS B 30 -4.926 -0.814 -17.085 1.00 3.71 H new ATOM 0 HD2 LYS B 30 -7.411 -1.694 -18.622 1.00 4.40 H new ATOM 0 HD3 LYS B 30 -7.407 -0.731 -17.158 1.00 4.40 H new ATOM 0 HE2 LYS B 30 -6.052 1.030 -18.393 1.00 4.15 H new ATOM 0 HE3 LYS B 30 -6.239 0.085 -19.858 1.00 4.15 H new ATOM 0 HZ1 LYS B 30 -7.950 1.588 -19.980 1.00 5.30 H new ATOM 0 HZ2 LYS B 30 -8.735 0.233 -19.323 1.00 5.30 H new ATOM 0 HZ3 LYS B 30 -8.291 1.527 -18.317 1.00 5.30 H new ATOM 2119 N ASP B 31 -2.715 -2.022 -16.378 1.00 1.53 N ATOM 2120 CA ASP B 31 -1.858 -1.619 -15.276 1.00 1.32 C ATOM 2121 C ASP B 31 -2.667 -1.902 -14.012 1.00 1.18 C ATOM 2122 O ASP B 31 -2.473 -2.918 -13.349 1.00 1.49 O ATOM 2123 CB ASP B 31 -1.432 -0.142 -15.405 1.00 1.40 C ATOM 2124 CG ASP B 31 -0.553 0.334 -14.254 1.00 2.19 C ATOM 2125 OD1 ASP B 31 -0.924 0.094 -13.084 1.00 3.64 O ATOM 2126 OD2 ASP B 31 0.471 0.983 -14.553 1.00 2.68 O ATOM 0 H ASP B 31 -3.653 -2.265 -16.059 1.00 1.53 H new ATOM 0 HA ASP B 31 -0.918 -2.171 -15.260 1.00 1.32 H new ATOM 0 HB2 ASP B 31 -0.895 -0.007 -16.344 1.00 1.40 H new ATOM 0 HB3 ASP B 31 -2.323 0.483 -15.455 1.00 1.40 H new ATOM 2131 N SER B 32 -3.661 -1.044 -13.771 1.00 1.06 N ATOM 2132 CA SER B 32 -4.685 -1.187 -12.758 1.00 1.06 C ATOM 2133 C SER B 32 -6.051 -1.091 -13.457 1.00 1.16 C ATOM 2134 O SER B 32 -6.239 -1.674 -14.529 1.00 1.45 O ATOM 2135 CB SER B 32 -4.425 -0.110 -11.693 1.00 1.03 C ATOM 2136 OG SER B 32 -5.367 -0.162 -10.640 1.00 1.79 O ATOM 0 H SER B 32 -3.770 -0.187 -14.313 1.00 1.06 H new ATOM 0 HA SER B 32 -4.672 -2.148 -12.244 1.00 1.06 H new ATOM 0 HB2 SER B 32 -3.421 -0.238 -11.287 1.00 1.03 H new ATOM 0 HB3 SER B 32 -4.458 0.875 -12.159 1.00 1.03 H new ATOM 0 HG SER B 32 -5.076 0.425 -9.911 1.00 1.79 H new ATOM 2142 N LEU B 33 -6.999 -0.378 -12.845 1.00 0.99 N ATOM 2143 CA LEU B 33 -8.375 -0.224 -13.306 1.00 1.04 C ATOM 2144 C LEU B 33 -8.593 1.187 -13.858 1.00 0.97 C ATOM 2145 O LEU B 33 -7.644 1.952 -14.042 1.00 0.99 O ATOM 2146 CB LEU B 33 -9.350 -0.502 -12.140 1.00 1.04 C ATOM 2147 CG LEU B 33 -9.261 -1.855 -11.421 1.00 1.22 C ATOM 2148 CD1 LEU B 33 -9.295 -3.035 -12.392 1.00 1.78 C ATOM 2149 CD2 LEU B 33 -8.039 -1.935 -10.511 1.00 1.26 C ATOM 0 H LEU B 33 -6.818 0.128 -11.978 1.00 0.99 H new ATOM 0 HA LEU B 33 -8.566 -0.940 -14.105 1.00 1.04 H new ATOM 0 HB2 LEU B 33 -9.207 0.280 -11.394 1.00 1.04 H new ATOM 0 HB3 LEU B 33 -10.365 -0.396 -12.523 1.00 1.04 H new ATOM 0 HG LEU B 33 -10.150 -1.926 -10.795 1.00 1.22 H new ATOM 0 HD11 LEU B 33 -9.229 -3.968 -11.833 1.00 1.78 H new ATOM 0 HD12 LEU B 33 -10.227 -3.015 -12.956 1.00 1.78 H new ATOM 0 HD13 LEU B 33 -8.453 -2.964 -13.080 1.00 1.78 H new ATOM 0 HD21 LEU B 33 -8.013 -2.908 -10.021 1.00 1.26 H new ATOM 0 HD22 LEU B 33 -7.134 -1.803 -11.104 1.00 1.26 H new ATOM 0 HD23 LEU B 33 -8.095 -1.150 -9.756 1.00 1.26 H new ATOM 2161 N SER B 34 -9.854 1.549 -14.088 1.00 0.99 N ATOM 2162 CA SER B 34 -10.255 2.936 -14.252 1.00 0.95 C ATOM 2163 C SER B 34 -10.438 3.556 -12.863 1.00 0.84 C ATOM 2164 O SER B 34 -10.651 2.850 -11.879 1.00 0.85 O ATOM 2165 CB SER B 34 -11.517 3.031 -15.115 1.00 1.08 C ATOM 2166 OG SER B 34 -11.865 4.387 -15.309 1.00 2.05 O ATOM 0 H SER B 34 -10.624 0.884 -14.165 1.00 0.99 H new ATOM 0 HA SER B 34 -9.485 3.499 -14.779 1.00 0.95 H new ATOM 0 HB2 SER B 34 -11.347 2.549 -16.078 1.00 1.08 H new ATOM 0 HB3 SER B 34 -12.339 2.501 -14.633 1.00 1.08 H new ATOM 0 HG SER B 34 -11.255 4.791 -15.961 1.00 2.05 H new ATOM 2172 N VAL B 35 -10.333 4.880 -12.756 1.00 0.81 N ATOM 2173 CA VAL B 35 -10.349 5.575 -11.474 1.00 0.79 C ATOM 2174 C VAL B 35 -11.732 5.463 -10.820 1.00 0.80 C ATOM 2175 O VAL B 35 -11.891 4.935 -9.717 1.00 0.89 O ATOM 2176 CB VAL B 35 -9.951 7.037 -11.726 1.00 0.86 C ATOM 2177 CG1 VAL B 35 -10.058 7.899 -10.474 1.00 1.07 C ATOM 2178 CG2 VAL B 35 -8.535 7.149 -12.287 1.00 0.93 C ATOM 0 H VAL B 35 -10.234 5.501 -13.559 1.00 0.81 H new ATOM 0 HA VAL B 35 -9.639 5.123 -10.781 1.00 0.79 H new ATOM 0 HB VAL B 35 -10.663 7.410 -12.462 1.00 0.86 H new ATOM 0 HG11 VAL B 35 -9.765 8.922 -10.710 1.00 1.07 H new ATOM 0 HG12 VAL B 35 -11.087 7.890 -10.113 1.00 1.07 H new ATOM 0 HG13 VAL B 35 -9.399 7.502 -9.702 1.00 1.07 H new ATOM 0 HG21 VAL B 35 -8.291 8.198 -12.452 1.00 0.93 H new ATOM 0 HG22 VAL B 35 -7.828 6.719 -11.578 1.00 0.93 H new ATOM 0 HG23 VAL B 35 -8.474 6.610 -13.232 1.00 0.93 H new ATOM 2188 N ASN B 36 -12.745 5.983 -11.517 1.00 0.80 N ATOM 2189 CA ASN B 36 -14.122 6.024 -11.040 1.00 0.95 C ATOM 2190 C ASN B 36 -14.653 4.612 -10.779 1.00 1.08 C ATOM 2191 O ASN B 36 -15.379 4.387 -9.810 1.00 1.39 O ATOM 2192 CB ASN B 36 -15.014 6.777 -12.042 1.00 1.12 C ATOM 2193 CG ASN B 36 -16.072 7.616 -11.323 1.00 2.19 C ATOM 2194 OD1 ASN B 36 -16.490 7.294 -10.212 1.00 3.10 O ATOM 2195 ND2 ASN B 36 -16.488 8.726 -11.922 1.00 2.63 N ATOM 0 H ASN B 36 -12.626 6.393 -12.443 1.00 0.80 H new ATOM 0 HA ASN B 36 -14.143 6.564 -10.093 1.00 0.95 H new ATOM 0 HB2 ASN B 36 -14.397 7.423 -12.667 1.00 1.12 H new ATOM 0 HB3 ASN B 36 -15.502 6.063 -12.706 1.00 1.12 H new ATOM 0 HD21 ASN B 36 -17.167 9.331 -11.460 1.00 2.63 H new ATOM 0 HD22 ASN B 36 -16.128 8.974 -12.844 1.00 2.63 H new ATOM 2202 N GLU B 37 -14.259 3.670 -11.642 1.00 0.96 N ATOM 2203 CA GLU B 37 -14.475 2.241 -11.466 1.00 1.03 C ATOM 2204 C GLU B 37 -13.861 1.796 -10.139 1.00 1.04 C ATOM 2205 O GLU B 37 -14.568 1.298 -9.267 1.00 1.17 O ATOM 2206 CB GLU B 37 -13.821 1.511 -12.646 1.00 1.06 C ATOM 2207 CG GLU B 37 -13.870 -0.021 -12.586 1.00 1.39 C ATOM 2208 CD GLU B 37 -13.035 -0.662 -13.694 1.00 2.12 C ATOM 2209 OE1 GLU B 37 -12.078 0.005 -14.152 1.00 3.04 O ATOM 2210 OE2 GLU B 37 -13.348 -1.817 -14.043 1.00 3.39 O ATOM 0 H GLU B 37 -13.767 3.894 -12.507 1.00 0.96 H new ATOM 0 HA GLU B 37 -15.539 2.007 -11.442 1.00 1.03 H new ATOM 0 HB2 GLU B 37 -14.307 1.837 -13.566 1.00 1.06 H new ATOM 0 HB3 GLU B 37 -12.778 1.821 -12.709 1.00 1.06 H new ATOM 0 HG2 GLU B 37 -13.506 -0.358 -11.616 1.00 1.39 H new ATOM 0 HG3 GLU B 37 -14.904 -0.355 -12.672 1.00 1.39 H new ATOM 2217 N PHE B 38 -12.544 1.979 -9.987 1.00 0.94 N ATOM 2218 CA PHE B 38 -11.780 1.518 -8.837 1.00 0.92 C ATOM 2219 C PHE B 38 -12.454 1.904 -7.528 1.00 0.88 C ATOM 2220 O PHE B 38 -12.634 1.057 -6.660 1.00 0.94 O ATOM 2221 CB PHE B 38 -10.350 2.059 -8.889 1.00 0.87 C ATOM 2222 CG PHE B 38 -9.475 1.573 -7.756 1.00 1.17 C ATOM 2223 CD1 PHE B 38 -9.133 0.211 -7.676 1.00 2.50 C ATOM 2224 CD2 PHE B 38 -8.970 2.481 -6.806 1.00 1.53 C ATOM 2225 CE1 PHE B 38 -8.253 -0.234 -6.678 1.00 3.03 C ATOM 2226 CE2 PHE B 38 -8.058 2.043 -5.834 1.00 1.83 C ATOM 2227 CZ PHE B 38 -7.700 0.686 -5.771 1.00 2.31 C ATOM 0 H PHE B 38 -11.973 2.463 -10.680 1.00 0.94 H new ATOM 0 HA PHE B 38 -11.741 0.430 -8.879 1.00 0.92 H new ATOM 0 HB2 PHE B 38 -9.896 1.770 -9.837 1.00 0.87 H new ATOM 0 HB3 PHE B 38 -10.382 3.148 -8.870 1.00 0.87 H new ATOM 0 HD1 PHE B 38 -9.548 -0.492 -8.383 1.00 2.50 H new ATOM 0 HD2 PHE B 38 -9.284 3.514 -6.825 1.00 1.53 H new ATOM 0 HE1 PHE B 38 -8.001 -1.282 -6.607 1.00 3.03 H new ATOM 0 HE2 PHE B 38 -7.632 2.748 -5.135 1.00 1.83 H new ATOM 0 HZ PHE B 38 -6.998 0.349 -5.023 1.00 2.31 H new ATOM 2237 N LYS B 39 -12.859 3.171 -7.410 1.00 0.85 N ATOM 2238 CA LYS B 39 -13.630 3.685 -6.280 1.00 0.92 C ATOM 2239 C LYS B 39 -14.737 2.720 -5.835 1.00 0.97 C ATOM 2240 O LYS B 39 -14.964 2.557 -4.638 1.00 1.09 O ATOM 2241 CB LYS B 39 -14.229 5.028 -6.703 1.00 1.13 C ATOM 2242 CG LYS B 39 -15.090 5.691 -5.623 1.00 1.15 C ATOM 2243 CD LYS B 39 -16.100 6.678 -6.242 1.00 1.71 C ATOM 2244 CE LYS B 39 -17.352 6.015 -6.857 1.00 2.91 C ATOM 2245 NZ LYS B 39 -17.217 5.601 -8.277 1.00 4.16 N ATOM 0 H LYS B 39 -12.655 3.881 -8.113 1.00 0.85 H new ATOM 0 HA LYS B 39 -12.969 3.801 -5.421 1.00 0.92 H new ATOM 0 HB2 LYS B 39 -13.420 5.706 -6.976 1.00 1.13 H new ATOM 0 HB3 LYS B 39 -14.835 4.879 -7.597 1.00 1.13 H new ATOM 0 HG2 LYS B 39 -15.624 4.926 -5.060 1.00 1.15 H new ATOM 0 HG3 LYS B 39 -14.449 6.218 -4.916 1.00 1.15 H new ATOM 0 HD2 LYS B 39 -16.418 7.382 -5.473 1.00 1.71 H new ATOM 0 HD3 LYS B 39 -15.595 7.257 -7.015 1.00 1.71 H new ATOM 0 HE2 LYS B 39 -17.608 5.138 -6.263 1.00 2.91 H new ATOM 0 HE3 LYS B 39 -18.188 6.710 -6.776 1.00 2.91 H new ATOM 0 HZ1 LYS B 39 -18.156 5.374 -8.663 1.00 4.16 H new ATOM 0 HZ2 LYS B 39 -16.795 6.377 -8.826 1.00 4.16 H new ATOM 0 HZ3 LYS B 39 -16.606 4.762 -8.337 1.00 4.16 H new ATOM 2259 N GLU B 40 -15.457 2.119 -6.780 1.00 0.99 N ATOM 2260 CA GLU B 40 -16.450 1.103 -6.473 1.00 1.05 C ATOM 2261 C GLU B 40 -15.736 -0.231 -6.276 1.00 0.90 C ATOM 2262 O GLU B 40 -15.878 -0.851 -5.228 1.00 1.00 O ATOM 2263 CB GLU B 40 -17.508 1.071 -7.583 1.00 1.24 C ATOM 2264 CG GLU B 40 -18.372 2.332 -7.457 1.00 1.57 C ATOM 2265 CD GLU B 40 -19.083 2.696 -8.750 1.00 1.62 C ATOM 2266 OE1 GLU B 40 -19.643 1.780 -9.381 1.00 2.79 O ATOM 2267 OE2 GLU B 40 -19.032 3.906 -9.074 1.00 2.15 O ATOM 0 H GLU B 40 -15.366 2.325 -7.775 1.00 0.99 H new ATOM 0 HA GLU B 40 -16.980 1.328 -5.547 1.00 1.05 H new ATOM 0 HB2 GLU B 40 -17.031 1.033 -8.562 1.00 1.24 H new ATOM 0 HB3 GLU B 40 -18.125 0.177 -7.495 1.00 1.24 H new ATOM 0 HG2 GLU B 40 -19.113 2.181 -6.672 1.00 1.57 H new ATOM 0 HG3 GLU B 40 -17.744 3.167 -7.147 1.00 1.57 H new ATOM 2274 N LEU B 41 -14.948 -0.655 -7.266 1.00 0.89 N ATOM 2275 CA LEU B 41 -14.254 -1.939 -7.300 1.00 0.93 C ATOM 2276 C LEU B 41 -13.624 -2.318 -5.949 1.00 0.99 C ATOM 2277 O LEU B 41 -13.830 -3.438 -5.481 1.00 1.27 O ATOM 2278 CB LEU B 41 -13.230 -1.942 -8.454 1.00 1.02 C ATOM 2279 CG LEU B 41 -13.251 -3.183 -9.363 1.00 1.16 C ATOM 2280 CD1 LEU B 41 -12.969 -4.471 -8.589 1.00 2.04 C ATOM 2281 CD2 LEU B 41 -14.558 -3.307 -10.159 1.00 2.47 C ATOM 0 H LEU B 41 -14.771 -0.090 -8.097 1.00 0.89 H new ATOM 0 HA LEU B 41 -14.992 -2.718 -7.490 1.00 0.93 H new ATOM 0 HB2 LEU B 41 -13.403 -1.060 -9.071 1.00 1.02 H new ATOM 0 HB3 LEU B 41 -12.231 -1.843 -8.029 1.00 1.02 H new ATOM 0 HG LEU B 41 -12.442 -3.039 -10.079 1.00 1.16 H new ATOM 0 HD11 LEU B 41 -12.994 -5.319 -9.273 1.00 2.04 H new ATOM 0 HD12 LEU B 41 -11.985 -4.408 -8.125 1.00 2.04 H new ATOM 0 HD13 LEU B 41 -13.727 -4.605 -7.817 1.00 2.04 H new ATOM 0 HD21 LEU B 41 -14.520 -4.199 -10.784 1.00 2.47 H new ATOM 0 HD22 LEU B 41 -15.398 -3.383 -9.469 1.00 2.47 H new ATOM 0 HD23 LEU B 41 -14.685 -2.427 -10.790 1.00 2.47 H new ATOM 2293 N VAL B 42 -12.917 -1.389 -5.286 1.00 0.90 N ATOM 2294 CA VAL B 42 -12.308 -1.616 -3.971 1.00 0.98 C ATOM 2295 C VAL B 42 -13.318 -2.254 -3.009 1.00 1.54 C ATOM 2296 O VAL B 42 -13.010 -3.232 -2.332 1.00 1.75 O ATOM 2297 CB VAL B 42 -11.651 -0.331 -3.397 1.00 1.01 C ATOM 2298 CG1 VAL B 42 -10.459 0.084 -4.259 1.00 1.39 C ATOM 2299 CG2 VAL B 42 -12.621 0.855 -3.253 1.00 2.14 C ATOM 0 H VAL B 42 -12.752 -0.452 -5.653 1.00 0.90 H new ATOM 0 HA VAL B 42 -11.491 -2.327 -4.097 1.00 0.98 H new ATOM 0 HB VAL B 42 -11.323 -0.589 -2.390 1.00 1.01 H new ATOM 0 HG11 VAL B 42 -10.008 0.986 -3.846 1.00 1.39 H new ATOM 0 HG12 VAL B 42 -9.721 -0.718 -4.270 1.00 1.39 H new ATOM 0 HG13 VAL B 42 -10.797 0.281 -5.276 1.00 1.39 H new ATOM 0 HG21 VAL B 42 -12.088 1.714 -2.846 1.00 2.14 H new ATOM 0 HG22 VAL B 42 -13.030 1.111 -4.230 1.00 2.14 H new ATOM 0 HG23 VAL B 42 -13.434 0.581 -2.580 1.00 2.14 H new ATOM 2309 N THR B 43 -14.555 -1.755 -2.996 1.00 1.94 N ATOM 2310 CA THR B 43 -15.611 -2.226 -2.111 1.00 2.45 C ATOM 2311 C THR B 43 -15.866 -3.733 -2.283 1.00 2.62 C ATOM 2312 O THR B 43 -16.243 -4.416 -1.334 1.00 2.91 O ATOM 2313 CB THR B 43 -16.868 -1.352 -2.326 1.00 2.86 C ATOM 2314 OG1 THR B 43 -17.506 -1.092 -1.092 1.00 3.24 O ATOM 2315 CG2 THR B 43 -17.910 -1.973 -3.266 1.00 3.38 C ATOM 0 H THR B 43 -14.852 -0.999 -3.613 1.00 1.94 H new ATOM 0 HA THR B 43 -15.304 -2.116 -1.071 1.00 2.45 H new ATOM 0 HB THR B 43 -16.499 -0.438 -2.791 1.00 2.86 H new ATOM 0 HG1 THR B 43 -18.299 -0.536 -1.244 1.00 3.24 H new ATOM 0 HG21 THR B 43 -18.760 -1.298 -3.364 1.00 3.38 H new ATOM 0 HG22 THR B 43 -17.463 -2.138 -4.246 1.00 3.38 H new ATOM 0 HG23 THR B 43 -18.248 -2.925 -2.856 1.00 3.38 H new ATOM 2323 N GLN B 44 -15.658 -4.269 -3.492 1.00 2.56 N ATOM 2324 CA GLN B 44 -15.951 -5.658 -3.800 1.00 2.80 C ATOM 2325 C GLN B 44 -14.995 -6.586 -3.045 1.00 2.71 C ATOM 2326 O GLN B 44 -15.432 -7.519 -2.378 1.00 2.91 O ATOM 2327 CB GLN B 44 -15.875 -5.857 -5.320 1.00 2.80 C ATOM 2328 CG GLN B 44 -16.394 -7.229 -5.761 1.00 4.61 C ATOM 2329 CD GLN B 44 -16.170 -7.439 -7.255 1.00 5.05 C ATOM 2330 OE1 GLN B 44 -15.403 -8.306 -7.660 1.00 6.20 O ATOM 2331 NE2 GLN B 44 -16.823 -6.638 -8.093 1.00 4.60 N ATOM 0 H GLN B 44 -15.281 -3.743 -4.280 1.00 2.56 H new ATOM 0 HA GLN B 44 -16.959 -5.912 -3.472 1.00 2.80 H new ATOM 0 HB2 GLN B 44 -16.455 -5.077 -5.814 1.00 2.80 H new ATOM 0 HB3 GLN B 44 -14.842 -5.741 -5.647 1.00 2.80 H new ATOM 0 HG2 GLN B 44 -15.886 -8.013 -5.199 1.00 4.61 H new ATOM 0 HG3 GLN B 44 -17.457 -7.311 -5.533 1.00 4.61 H new ATOM 0 HE21 GLN B 44 -17.455 -5.925 -7.729 1.00 4.60 H new ATOM 0 HE22 GLN B 44 -16.692 -6.737 -9.100 1.00 4.60 H new ATOM 2340 N GLN B 45 -13.687 -6.345 -3.176 1.00 2.43 N ATOM 2341 CA GLN B 45 -12.663 -7.138 -2.497 1.00 2.31 C ATOM 2342 C GLN B 45 -12.481 -6.707 -1.040 1.00 2.12 C ATOM 2343 O GLN B 45 -11.975 -7.491 -0.242 1.00 2.00 O ATOM 2344 CB GLN B 45 -11.318 -7.112 -3.231 1.00 2.40 C ATOM 2345 CG GLN B 45 -10.893 -5.714 -3.671 1.00 1.30 C ATOM 2346 CD GLN B 45 -11.306 -5.313 -5.086 1.00 1.86 C ATOM 2347 OE1 GLN B 45 -12.193 -6.072 -5.724 1.00 2.83 O flip ATOM 2348 NE2 GLN B 45 -10.803 -4.329 -5.619 1.00 2.00 N flip ATOM 0 H GLN B 45 -13.311 -5.595 -3.756 1.00 2.43 H new ATOM 0 HA GLN B 45 -13.025 -8.166 -2.508 1.00 2.31 H new ATOM 0 HB2 GLN B 45 -10.550 -7.529 -2.580 1.00 2.40 H new ATOM 0 HB3 GLN B 45 -11.378 -7.758 -4.107 1.00 2.40 H new ATOM 0 HG2 GLN B 45 -11.310 -4.990 -2.971 1.00 1.30 H new ATOM 0 HG3 GLN B 45 -9.808 -5.643 -3.595 1.00 1.30 H new ATOM 0 HE21 GLN B 45 -10.125 -3.763 -5.108 1.00 2.00 H new ATOM 0 HE22 GLN B 45 -11.063 -4.077 -6.573 1.00 2.00 H new ATOM 2357 N LEU B 46 -12.881 -5.480 -0.694 1.00 2.10 N ATOM 2358 CA LEU B 46 -12.958 -5.026 0.685 1.00 1.92 C ATOM 2359 C LEU B 46 -14.420 -4.967 1.149 1.00 2.01 C ATOM 2360 O LEU B 46 -14.922 -3.869 1.389 1.00 2.10 O ATOM 2361 CB LEU B 46 -12.286 -3.649 0.840 1.00 1.87 C ATOM 2362 CG LEU B 46 -10.764 -3.600 0.592 1.00 1.83 C ATOM 2363 CD1 LEU B 46 -10.377 -2.815 -0.663 1.00 1.70 C ATOM 2364 CD2 LEU B 46 -10.101 -2.882 1.771 1.00 1.89 C ATOM 0 H LEU B 46 -13.161 -4.773 -1.374 1.00 2.10 H new ATOM 0 HA LEU B 46 -12.425 -5.740 1.313 1.00 1.92 H new ATOM 0 HB2 LEU B 46 -12.767 -2.954 0.152 1.00 1.87 H new ATOM 0 HB3 LEU B 46 -12.480 -3.285 1.849 1.00 1.87 H new ATOM 0 HG LEU B 46 -10.437 -4.633 0.472 1.00 1.83 H new ATOM 0 HD11 LEU B 46 -9.293 -2.821 -0.776 1.00 1.70 H new ATOM 0 HD12 LEU B 46 -10.836 -3.277 -1.537 1.00 1.70 H new ATOM 0 HD13 LEU B 46 -10.726 -1.787 -0.571 1.00 1.70 H new ATOM 0 HD21 LEU B 46 -9.024 -2.839 1.611 1.00 1.89 H new ATOM 0 HD22 LEU B 46 -10.497 -1.870 1.850 1.00 1.89 H new ATOM 0 HD23 LEU B 46 -10.310 -3.426 2.692 1.00 1.89 H new ATOM 2376 N PRO B 47 -15.105 -6.100 1.391 1.00 2.01 N ATOM 2377 CA PRO B 47 -16.454 -6.105 1.951 1.00 2.04 C ATOM 2378 C PRO B 47 -16.421 -5.847 3.469 1.00 2.08 C ATOM 2379 O PRO B 47 -17.198 -6.431 4.227 1.00 2.55 O ATOM 2380 CB PRO B 47 -16.994 -7.497 1.615 1.00 2.10 C ATOM 2381 CG PRO B 47 -15.744 -8.361 1.763 1.00 2.05 C ATOM 2382 CD PRO B 47 -14.652 -7.465 1.182 1.00 1.99 C ATOM 0 HA PRO B 47 -17.086 -5.317 1.542 1.00 2.04 H new ATOM 0 HB2 PRO B 47 -17.786 -7.804 2.298 1.00 2.10 H new ATOM 0 HB3 PRO B 47 -17.406 -7.543 0.607 1.00 2.10 H new ATOM 0 HG2 PRO B 47 -15.548 -8.616 2.804 1.00 2.05 H new ATOM 0 HG3 PRO B 47 -15.832 -9.300 1.216 1.00 2.05 H new ATOM 0 HD2 PRO B 47 -13.698 -7.640 1.678 1.00 1.99 H new ATOM 0 HD3 PRO B 47 -14.502 -7.669 0.122 1.00 1.99 H new ATOM 2390 N HIS B 48 -15.516 -4.971 3.912 1.00 1.80 N ATOM 2391 CA HIS B 48 -15.424 -4.495 5.275 1.00 1.76 C ATOM 2392 C HIS B 48 -16.463 -3.366 5.438 1.00 1.96 C ATOM 2393 O HIS B 48 -17.351 -3.209 4.603 1.00 3.34 O ATOM 2394 CB HIS B 48 -13.966 -4.069 5.523 1.00 1.91 C ATOM 2395 CG HIS B 48 -13.626 -3.938 6.982 1.00 1.68 C ATOM 2396 ND1 HIS B 48 -13.841 -4.906 7.935 1.00 2.92 N ATOM 2397 CD2 HIS B 48 -13.302 -2.778 7.627 1.00 2.02 C ATOM 2398 CE1 HIS B 48 -13.710 -4.317 9.135 1.00 3.22 C ATOM 2399 NE2 HIS B 48 -13.370 -3.023 9.000 1.00 2.58 N ATOM 0 H HIS B 48 -14.806 -4.565 3.302 1.00 1.80 H new ATOM 0 HA HIS B 48 -15.658 -5.250 6.026 1.00 1.76 H new ATOM 0 HB2 HIS B 48 -13.298 -4.799 5.065 1.00 1.91 H new ATOM 0 HB3 HIS B 48 -13.784 -3.116 5.027 1.00 1.91 H new ATOM 0 HD1 HIS B 48 -14.059 -5.887 7.763 1.00 2.92 H new ATOM 0 HD2 HIS B 48 -13.040 -1.840 7.159 1.00 2.02 H new ATOM 0 HE1 HIS B 48 -13.858 -4.816 10.081 1.00 3.22 H new ATOM 2407 N LEU B 49 -16.369 -2.548 6.491 1.00 1.54 N ATOM 2408 CA LEU B 49 -17.353 -1.501 6.751 1.00 1.58 C ATOM 2409 C LEU B 49 -17.449 -0.472 5.610 1.00 1.58 C ATOM 2410 O LEU B 49 -18.552 -0.095 5.228 1.00 1.68 O ATOM 2411 CB LEU B 49 -17.035 -0.836 8.097 1.00 1.55 C ATOM 2412 CG LEU B 49 -18.086 0.191 8.553 1.00 1.62 C ATOM 2413 CD1 LEU B 49 -19.452 -0.452 8.820 1.00 2.38 C ATOM 2414 CD2 LEU B 49 -17.592 0.873 9.832 1.00 2.53 C ATOM 0 H LEU B 49 -15.617 -2.594 7.178 1.00 1.54 H new ATOM 0 HA LEU B 49 -18.338 -1.964 6.802 1.00 1.58 H new ATOM 0 HB2 LEU B 49 -16.943 -1.609 8.860 1.00 1.55 H new ATOM 0 HB3 LEU B 49 -16.066 -0.342 8.026 1.00 1.55 H new ATOM 0 HG LEU B 49 -18.215 0.915 7.748 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -20.159 0.314 9.139 1.00 2.38 H new ATOM 0 HD12 LEU B 49 -19.816 -0.924 7.908 1.00 2.38 H new ATOM 0 HD13 LEU B 49 -19.354 -1.204 9.603 1.00 2.38 H new ATOM 0 HD21 LEU B 49 -18.330 1.603 10.163 1.00 2.53 H new ATOM 0 HD22 LEU B 49 -17.447 0.124 10.611 1.00 2.53 H new ATOM 0 HD23 LEU B 49 -16.647 1.378 9.633 1.00 2.53 H new ATOM 2426 N LEU B 50 -16.305 0.007 5.099 1.00 1.56 N ATOM 2427 CA LEU B 50 -16.224 0.970 3.991 1.00 1.68 C ATOM 2428 C LEU B 50 -17.080 2.212 4.268 1.00 1.63 C ATOM 2429 O LEU B 50 -17.960 2.599 3.503 1.00 1.94 O ATOM 2430 CB LEU B 50 -16.524 0.282 2.644 1.00 2.16 C ATOM 2431 CG LEU B 50 -15.269 -0.263 1.940 1.00 2.74 C ATOM 2432 CD1 LEU B 50 -14.449 0.860 1.292 1.00 4.04 C ATOM 2433 CD2 LEU B 50 -14.381 -1.098 2.867 1.00 3.62 C ATOM 0 H LEU B 50 -15.390 -0.271 5.453 1.00 1.56 H new ATOM 0 HA LEU B 50 -15.201 1.339 3.914 1.00 1.68 H new ATOM 0 HB2 LEU B 50 -17.222 -0.538 2.812 1.00 2.16 H new ATOM 0 HB3 LEU B 50 -17.021 0.993 1.984 1.00 2.16 H new ATOM 0 HG LEU B 50 -15.635 -0.926 1.156 1.00 2.74 H new ATOM 0 HD11 LEU B 50 -13.571 0.435 0.805 1.00 4.04 H new ATOM 0 HD12 LEU B 50 -15.060 1.376 0.552 1.00 4.04 H new ATOM 0 HD13 LEU B 50 -14.132 1.568 2.058 1.00 4.04 H new ATOM 0 HD21 LEU B 50 -13.512 -1.455 2.314 1.00 3.62 H new ATOM 0 HD22 LEU B 50 -14.051 -0.484 3.705 1.00 3.62 H new ATOM 0 HD23 LEU B 50 -14.947 -1.950 3.243 1.00 3.62 H new ATOM 2445 N LYS B 51 -16.786 2.841 5.406 1.00 1.36 N ATOM 2446 CA LYS B 51 -17.482 4.016 5.906 1.00 1.45 C ATOM 2447 C LYS B 51 -17.022 5.319 5.243 1.00 1.40 C ATOM 2448 O LYS B 51 -17.814 6.252 5.177 1.00 1.55 O ATOM 2449 CB LYS B 51 -17.318 4.081 7.429 1.00 1.41 C ATOM 2450 CG LYS B 51 -15.847 4.219 7.852 1.00 1.27 C ATOM 2451 CD LYS B 51 -15.457 5.661 8.194 1.00 1.45 C ATOM 2452 CE LYS B 51 -15.700 6.008 9.668 1.00 1.82 C ATOM 2453 NZ LYS B 51 -17.138 6.079 10.000 1.00 3.36 N ATOM 0 H LYS B 51 -16.033 2.533 6.021 1.00 1.36 H new ATOM 0 HA LYS B 51 -18.536 3.915 5.648 1.00 1.45 H new ATOM 0 HB2 LYS B 51 -17.886 4.926 7.818 1.00 1.41 H new ATOM 0 HB3 LYS B 51 -17.739 3.181 7.876 1.00 1.41 H new ATOM 0 HG2 LYS B 51 -15.662 3.583 8.718 1.00 1.27 H new ATOM 0 HG3 LYS B 51 -15.207 3.856 7.047 1.00 1.27 H new ATOM 0 HD2 LYS B 51 -14.404 5.813 7.958 1.00 1.45 H new ATOM 0 HD3 LYS B 51 -16.027 6.346 7.565 1.00 1.45 H new ATOM 0 HE2 LYS B 51 -15.221 5.259 10.299 1.00 1.82 H new ATOM 0 HE3 LYS B 51 -15.230 6.965 9.896 1.00 1.82 H new ATOM 0 HZ1 LYS B 51 -17.254 6.463 10.960 1.00 3.36 H new ATOM 0 HZ2 LYS B 51 -17.621 6.698 9.319 1.00 3.36 H new ATOM 0 HZ3 LYS B 51 -17.552 5.126 9.956 1.00 3.36 H new ATOM 2467 N ASP B 52 -15.739 5.399 4.858 1.00 1.23 N ATOM 2468 CA ASP B 52 -15.075 6.494 4.163 1.00 1.12 C ATOM 2469 C ASP B 52 -15.622 7.892 4.459 1.00 1.13 C ATOM 2470 O ASP B 52 -16.525 8.376 3.783 1.00 1.38 O ATOM 2471 CB ASP B 52 -14.892 6.177 2.667 1.00 1.45 C ATOM 2472 CG ASP B 52 -13.927 5.019 2.401 1.00 2.02 C ATOM 2473 OD1 ASP B 52 -13.786 4.177 3.319 1.00 2.87 O ATOM 2474 OD2 ASP B 52 -13.335 5.000 1.292 1.00 2.87 O ATOM 0 H ASP B 52 -15.093 4.632 5.044 1.00 1.23 H new ATOM 0 HA ASP B 52 -14.077 6.557 4.596 1.00 1.12 H new ATOM 0 HB2 ASP B 52 -15.863 5.937 2.233 1.00 1.45 H new ATOM 0 HB3 ASP B 52 -14.527 7.068 2.157 1.00 1.45 H new ATOM 2479 N VAL B 53 -15.036 8.551 5.471 1.00 1.10 N ATOM 2480 CA VAL B 53 -15.323 9.934 5.833 1.00 1.31 C ATOM 2481 C VAL B 53 -14.024 10.739 5.910 1.00 1.21 C ATOM 2482 O VAL B 53 -12.938 10.168 6.020 1.00 1.44 O ATOM 2483 CB VAL B 53 -16.104 10.012 7.158 1.00 1.87 C ATOM 2484 CG1 VAL B 53 -17.440 9.266 7.060 1.00 3.13 C ATOM 2485 CG2 VAL B 53 -15.280 9.488 8.342 1.00 2.87 C ATOM 0 H VAL B 53 -14.333 8.119 6.071 1.00 1.10 H new ATOM 0 HA VAL B 53 -15.953 10.369 5.058 1.00 1.31 H new ATOM 0 HB VAL B 53 -16.311 11.066 7.341 1.00 1.87 H new ATOM 0 HG11 VAL B 53 -17.968 9.339 8.011 1.00 3.13 H new ATOM 0 HG12 VAL B 53 -18.048 9.711 6.272 1.00 3.13 H new ATOM 0 HG13 VAL B 53 -17.255 8.217 6.827 1.00 3.13 H new ATOM 0 HG21 VAL B 53 -15.869 9.561 9.256 1.00 2.87 H new ATOM 0 HG22 VAL B 53 -15.012 8.446 8.166 1.00 2.87 H new ATOM 0 HG23 VAL B 53 -14.373 10.084 8.446 1.00 2.87 H new ATOM 2495 N GLY B 54 -14.147 12.068 5.879 1.00 1.49 N ATOM 2496 CA GLY B 54 -13.021 12.986 5.843 1.00 1.66 C ATOM 2497 C GLY B 54 -12.415 12.977 4.445 1.00 1.64 C ATOM 2498 O GLY B 54 -12.968 13.578 3.529 1.00 2.16 O ATOM 0 H GLY B 54 -15.052 12.539 5.878 1.00 1.49 H new ATOM 0 HA2 GLY B 54 -13.348 13.992 6.105 1.00 1.66 H new ATOM 0 HA3 GLY B 54 -12.273 12.692 6.579 1.00 1.66 H new ATOM 2502 N SER B 55 -11.314 12.242 4.269 1.00 1.31 N ATOM 2503 CA SER B 55 -10.586 12.156 3.010 1.00 1.35 C ATOM 2504 C SER B 55 -11.426 11.599 1.865 1.00 1.25 C ATOM 2505 O SER B 55 -11.039 11.720 0.710 1.00 1.34 O ATOM 2506 CB SER B 55 -9.258 11.434 3.195 1.00 1.42 C ATOM 2507 OG SER B 55 -8.640 11.977 4.351 1.00 1.85 O ATOM 0 H SER B 55 -10.900 11.682 5.014 1.00 1.31 H new ATOM 0 HA SER B 55 -10.353 13.176 2.703 1.00 1.35 H new ATOM 0 HB2 SER B 55 -9.416 10.362 3.312 1.00 1.42 H new ATOM 0 HB3 SER B 55 -8.622 11.569 2.320 1.00 1.42 H new ATOM 0 HG SER B 55 -7.775 12.367 4.107 1.00 1.85 H new ATOM 2513 N LEU B 56 -12.573 10.984 2.171 1.00 1.13 N ATOM 2514 CA LEU B 56 -13.602 10.727 1.171 1.00 1.15 C ATOM 2515 C LEU B 56 -13.780 11.921 0.242 1.00 1.23 C ATOM 2516 O LEU B 56 -13.983 11.724 -0.952 1.00 1.45 O ATOM 2517 CB LEU B 56 -14.906 10.234 1.828 1.00 1.18 C ATOM 2518 CG LEU B 56 -16.180 11.111 1.856 1.00 1.97 C ATOM 2519 CD1 LEU B 56 -16.078 12.390 2.696 1.00 3.01 C ATOM 2520 CD2 LEU B 56 -16.825 11.384 0.490 1.00 3.18 C ATOM 0 H LEU B 56 -12.808 10.656 3.108 1.00 1.13 H new ATOM 0 HA LEU B 56 -13.274 9.909 0.529 1.00 1.15 H new ATOM 0 HB2 LEU B 56 -15.175 9.300 1.335 1.00 1.18 H new ATOM 0 HB3 LEU B 56 -14.667 9.990 2.863 1.00 1.18 H new ATOM 0 HG LEU B 56 -16.872 10.456 2.386 1.00 1.97 H new ATOM 0 HD11 LEU B 56 -17.022 12.932 2.649 1.00 3.01 H new ATOM 0 HD12 LEU B 56 -15.860 12.129 3.732 1.00 3.01 H new ATOM 0 HD13 LEU B 56 -15.279 13.019 2.305 1.00 3.01 H new ATOM 0 HD21 LEU B 56 -17.709 12.007 0.623 1.00 3.18 H new ATOM 0 HD22 LEU B 56 -16.111 11.900 -0.153 1.00 3.18 H new ATOM 0 HD23 LEU B 56 -17.113 10.440 0.028 1.00 3.18 H new ATOM 2532 N ASP B 57 -13.666 13.144 0.770 1.00 1.16 N ATOM 2533 CA ASP B 57 -13.800 14.338 -0.049 1.00 1.28 C ATOM 2534 C ASP B 57 -12.660 14.388 -1.068 1.00 1.23 C ATOM 2535 O ASP B 57 -12.913 14.343 -2.272 1.00 1.32 O ATOM 2536 CB ASP B 57 -13.852 15.606 0.810 1.00 1.47 C ATOM 2537 CG ASP B 57 -14.087 16.824 -0.075 1.00 2.46 C ATOM 2538 OD1 ASP B 57 -15.186 16.903 -0.656 1.00 3.49 O ATOM 2539 OD2 ASP B 57 -13.152 17.648 -0.191 1.00 3.30 O ATOM 0 H ASP B 57 -13.482 13.326 1.757 1.00 1.16 H new ATOM 0 HA ASP B 57 -14.746 14.292 -0.588 1.00 1.28 H new ATOM 0 HB2 ASP B 57 -14.650 15.523 1.548 1.00 1.47 H new ATOM 0 HB3 ASP B 57 -12.919 15.721 1.361 1.00 1.47 H new ATOM 2544 N GLU B 58 -11.407 14.433 -0.595 1.00 1.20 N ATOM 2545 CA GLU B 58 -10.204 14.315 -1.416 1.00 1.22 C ATOM 2546 C GLU B 58 -10.360 13.228 -2.478 1.00 1.14 C ATOM 2547 O GLU B 58 -10.162 13.494 -3.665 1.00 1.28 O ATOM 2548 CB GLU B 58 -8.969 14.034 -0.541 1.00 1.27 C ATOM 2549 CG GLU B 58 -8.402 15.287 0.140 1.00 1.67 C ATOM 2550 CD GLU B 58 -9.444 16.047 0.938 1.00 3.27 C ATOM 2551 OE1 GLU B 58 -10.216 15.382 1.659 1.00 4.18 O ATOM 2552 OE2 GLU B 58 -9.508 17.279 0.731 1.00 4.34 O ATOM 0 H GLU B 58 -11.202 14.556 0.397 1.00 1.20 H new ATOM 0 HA GLU B 58 -10.060 15.268 -1.926 1.00 1.22 H new ATOM 0 HB2 GLU B 58 -9.234 13.303 0.223 1.00 1.27 H new ATOM 0 HB3 GLU B 58 -8.192 13.582 -1.158 1.00 1.27 H new ATOM 0 HG2 GLU B 58 -7.585 14.997 0.801 1.00 1.67 H new ATOM 0 HG3 GLU B 58 -7.980 15.947 -0.618 1.00 1.67 H new ATOM 2559 N LYS B 59 -10.711 12.015 -2.060 1.00 0.99 N ATOM 2560 CA LYS B 59 -10.785 10.874 -2.952 1.00 0.95 C ATOM 2561 C LYS B 59 -11.864 11.137 -4.004 1.00 0.98 C ATOM 2562 O LYS B 59 -11.564 11.176 -5.195 1.00 0.98 O ATOM 2563 CB LYS B 59 -10.979 9.569 -2.148 1.00 0.92 C ATOM 2564 CG LYS B 59 -10.104 8.435 -2.708 1.00 1.01 C ATOM 2565 CD LYS B 59 -9.906 7.279 -1.715 1.00 1.05 C ATOM 2566 CE LYS B 59 -11.086 6.299 -1.586 1.00 1.46 C ATOM 2567 NZ LYS B 59 -11.619 6.254 -0.201 1.00 1.87 N ATOM 0 H LYS B 59 -10.951 11.801 -1.092 1.00 0.99 H new ATOM 0 HA LYS B 59 -9.847 10.737 -3.490 1.00 0.95 H new ATOM 0 HB2 LYS B 59 -10.728 9.743 -1.102 1.00 0.92 H new ATOM 0 HB3 LYS B 59 -12.027 9.272 -2.179 1.00 0.92 H new ATOM 0 HG2 LYS B 59 -10.560 8.049 -3.620 1.00 1.01 H new ATOM 0 HG3 LYS B 59 -9.130 8.839 -2.985 1.00 1.01 H new ATOM 0 HD2 LYS B 59 -9.021 6.716 -2.013 1.00 1.05 H new ATOM 0 HD3 LYS B 59 -9.699 7.701 -0.731 1.00 1.05 H new ATOM 0 HE2 LYS B 59 -11.880 6.595 -2.271 1.00 1.46 H new ATOM 0 HE3 LYS B 59 -10.764 5.301 -1.884 1.00 1.46 H new ATOM 0 HZ1 LYS B 59 -12.293 5.467 -0.114 1.00 1.87 H new ATOM 0 HZ2 LYS B 59 -10.835 6.114 0.468 1.00 1.87 H new ATOM 0 HZ3 LYS B 59 -12.102 7.149 0.014 1.00 1.87 H new ATOM 2581 N MET B 60 -13.108 11.358 -3.572 1.00 1.05 N ATOM 2582 CA MET B 60 -14.235 11.625 -4.454 1.00 1.10 C ATOM 2583 C MET B 60 -13.880 12.705 -5.473 1.00 1.12 C ATOM 2584 O MET B 60 -14.016 12.474 -6.672 1.00 1.11 O ATOM 2585 CB MET B 60 -15.482 11.992 -3.630 1.00 1.22 C ATOM 2586 CG MET B 60 -16.698 12.330 -4.507 1.00 1.27 C ATOM 2587 SD MET B 60 -16.785 14.043 -5.100 1.00 2.06 S ATOM 2588 CE MET B 60 -18.180 13.926 -6.240 1.00 2.59 C ATOM 0 H MET B 60 -13.359 11.355 -2.583 1.00 1.05 H new ATOM 0 HA MET B 60 -14.468 10.721 -5.016 1.00 1.10 H new ATOM 0 HB2 MET B 60 -15.734 11.161 -2.972 1.00 1.22 H new ATOM 0 HB3 MET B 60 -15.252 12.845 -2.992 1.00 1.22 H new ATOM 0 HG2 MET B 60 -16.697 11.665 -5.371 1.00 1.27 H new ATOM 0 HG3 MET B 60 -17.604 12.114 -3.940 1.00 1.27 H new ATOM 0 HE1 MET B 60 -18.364 14.901 -6.691 1.00 2.59 H new ATOM 0 HE2 MET B 60 -17.951 13.202 -7.022 1.00 2.59 H new ATOM 0 HE3 MET B 60 -19.068 13.604 -5.696 1.00 2.59 H new ATOM 2598 N LYS B 61 -13.427 13.873 -5.012 1.00 1.21 N ATOM 2599 CA LYS B 61 -13.208 14.990 -5.917 1.00 1.40 C ATOM 2600 C LYS B 61 -12.074 14.666 -6.883 1.00 1.28 C ATOM 2601 O LYS B 61 -12.244 14.759 -8.094 1.00 1.35 O ATOM 2602 CB LYS B 61 -13.022 16.300 -5.149 1.00 1.73 C ATOM 2603 CG LYS B 61 -11.685 16.450 -4.409 1.00 1.45 C ATOM 2604 CD LYS B 61 -11.920 17.384 -3.229 1.00 1.74 C ATOM 2605 CE LYS B 61 -10.659 18.001 -2.606 1.00 1.92 C ATOM 2606 NZ LYS B 61 -10.875 18.343 -1.182 1.00 2.18 N ATOM 0 H LYS B 61 -13.210 14.063 -4.034 1.00 1.21 H new ATOM 0 HA LYS B 61 -14.098 15.145 -6.528 1.00 1.40 H new ATOM 0 HB2 LYS B 61 -13.124 17.129 -5.849 1.00 1.73 H new ATOM 0 HB3 LYS B 61 -13.831 16.394 -4.424 1.00 1.73 H new ATOM 0 HG2 LYS B 61 -11.326 15.480 -4.065 1.00 1.45 H new ATOM 0 HG3 LYS B 61 -10.922 16.855 -5.073 1.00 1.45 H new ATOM 0 HD2 LYS B 61 -12.575 18.192 -3.554 1.00 1.74 H new ATOM 0 HD3 LYS B 61 -12.454 16.833 -2.454 1.00 1.74 H new ATOM 0 HE2 LYS B 61 -9.828 17.301 -2.692 1.00 1.92 H new ATOM 0 HE3 LYS B 61 -10.379 18.897 -3.159 1.00 1.92 H new ATOM 0 HZ1 LYS B 61 -10.618 19.338 -1.021 1.00 2.18 H new ATOM 0 HZ2 LYS B 61 -11.876 18.200 -0.939 1.00 2.18 H new ATOM 0 HZ3 LYS B 61 -10.283 17.732 -0.584 1.00 2.18 H new ATOM 2620 N SER B 62 -10.927 14.238 -6.354 1.00 1.18 N ATOM 2621 CA SER B 62 -9.821 13.773 -7.191 1.00 1.18 C ATOM 2622 C SER B 62 -10.284 12.785 -8.273 1.00 1.06 C ATOM 2623 O SER B 62 -9.886 12.912 -9.431 1.00 1.21 O ATOM 2624 CB SER B 62 -8.703 13.164 -6.342 1.00 1.21 C ATOM 2625 OG SER B 62 -8.218 14.128 -5.430 1.00 2.55 O ATOM 0 H SER B 62 -10.740 14.204 -5.352 1.00 1.18 H new ATOM 0 HA SER B 62 -9.425 14.650 -7.704 1.00 1.18 H new ATOM 0 HB2 SER B 62 -9.076 12.294 -5.802 1.00 1.21 H new ATOM 0 HB3 SER B 62 -7.893 12.817 -6.984 1.00 1.21 H new ATOM 0 HG SER B 62 -8.776 14.126 -4.625 1.00 2.55 H new ATOM 2631 N LEU B 63 -11.126 11.808 -7.916 1.00 0.88 N ATOM 2632 CA LEU B 63 -11.701 10.885 -8.890 1.00 0.89 C ATOM 2633 C LEU B 63 -12.561 11.649 -9.903 1.00 1.00 C ATOM 2634 O LEU B 63 -12.392 11.478 -11.107 1.00 1.11 O ATOM 2635 CB LEU B 63 -12.505 9.766 -8.192 1.00 0.91 C ATOM 2636 CG LEU B 63 -11.700 8.601 -7.578 1.00 0.94 C ATOM 2637 CD1 LEU B 63 -10.243 8.913 -7.210 1.00 0.97 C ATOM 2638 CD2 LEU B 63 -12.411 8.101 -6.316 1.00 1.27 C ATOM 0 H LEU B 63 -11.423 11.639 -6.955 1.00 0.88 H new ATOM 0 HA LEU B 63 -10.887 10.404 -9.432 1.00 0.89 H new ATOM 0 HB2 LEU B 63 -13.100 10.221 -7.400 1.00 0.91 H new ATOM 0 HB3 LEU B 63 -13.204 9.349 -8.917 1.00 0.91 H new ATOM 0 HG LEU B 63 -11.657 7.851 -8.368 1.00 0.94 H new ATOM 0 HD11 LEU B 63 -9.776 8.023 -6.788 1.00 0.97 H new ATOM 0 HD12 LEU B 63 -9.699 9.219 -8.104 1.00 0.97 H new ATOM 0 HD13 LEU B 63 -10.218 9.719 -6.476 1.00 0.97 H new ATOM 0 HD21 LEU B 63 -11.844 7.278 -5.881 1.00 1.27 H new ATOM 0 HD22 LEU B 63 -12.484 8.914 -5.593 1.00 1.27 H new ATOM 0 HD23 LEU B 63 -13.412 7.755 -6.575 1.00 1.27 H new ATOM 2650 N ASP B 64 -13.484 12.483 -9.423 1.00 1.06 N ATOM 2651 CA ASP B 64 -14.408 13.238 -10.263 1.00 1.23 C ATOM 2652 C ASP B 64 -13.668 14.051 -11.332 1.00 1.18 C ATOM 2653 O ASP B 64 -14.018 13.977 -12.508 1.00 1.26 O ATOM 2654 CB ASP B 64 -15.279 14.134 -9.376 1.00 1.45 C ATOM 2655 CG ASP B 64 -16.325 14.869 -10.195 1.00 1.69 C ATOM 2656 OD1 ASP B 64 -17.405 14.272 -10.395 1.00 2.54 O ATOM 2657 OD2 ASP B 64 -16.031 16.018 -10.588 1.00 1.58 O ATOM 0 H ASP B 64 -13.611 12.654 -8.425 1.00 1.06 H new ATOM 0 HA ASP B 64 -15.049 12.538 -10.799 1.00 1.23 H new ATOM 0 HB2 ASP B 64 -15.770 13.529 -8.614 1.00 1.45 H new ATOM 0 HB3 ASP B 64 -14.650 14.855 -8.854 1.00 1.45 H new ATOM 2662 N VAL B 65 -12.625 14.785 -10.921 1.00 1.13 N ATOM 2663 CA VAL B 65 -11.873 15.726 -11.759 1.00 1.15 C ATOM 2664 C VAL B 65 -11.563 15.132 -13.128 1.00 1.05 C ATOM 2665 O VAL B 65 -11.970 15.668 -14.157 1.00 1.15 O ATOM 2666 CB VAL B 65 -10.565 16.142 -11.057 1.00 1.24 C ATOM 2667 CG1 VAL B 65 -9.577 16.876 -11.977 1.00 1.60 C ATOM 2668 CG2 VAL B 65 -10.878 17.081 -9.900 1.00 1.91 C ATOM 0 H VAL B 65 -12.271 14.738 -9.966 1.00 1.13 H new ATOM 0 HA VAL B 65 -12.497 16.607 -11.907 1.00 1.15 H new ATOM 0 HB VAL B 65 -10.102 15.213 -10.725 1.00 1.24 H new ATOM 0 HG11 VAL B 65 -8.681 17.137 -11.414 1.00 1.60 H new ATOM 0 HG12 VAL B 65 -9.306 16.228 -12.810 1.00 1.60 H new ATOM 0 HG13 VAL B 65 -10.042 17.784 -12.360 1.00 1.60 H new ATOM 0 HG21 VAL B 65 -9.951 17.372 -9.407 1.00 1.91 H new ATOM 0 HG22 VAL B 65 -11.382 17.970 -10.279 1.00 1.91 H new ATOM 0 HG23 VAL B 65 -11.525 16.574 -9.185 1.00 1.91 H new ATOM 2678 N ASN B 66 -10.776 14.058 -13.130 1.00 0.95 N ATOM 2679 CA ASN B 66 -10.365 13.401 -14.359 1.00 0.96 C ATOM 2680 C ASN B 66 -10.202 11.904 -14.140 1.00 0.97 C ATOM 2681 O ASN B 66 -9.139 11.331 -14.384 1.00 1.09 O ATOM 2682 CB ASN B 66 -9.077 14.038 -14.881 1.00 1.12 C ATOM 2683 CG ASN B 66 -8.667 13.445 -16.221 1.00 1.91 C ATOM 2684 OD1 ASN B 66 -9.461 12.820 -16.918 1.00 3.07 O ATOM 2685 ND2 ASN B 66 -7.404 13.619 -16.588 1.00 2.98 N ATOM 0 H ASN B 66 -10.410 13.624 -12.283 1.00 0.95 H new ATOM 0 HA ASN B 66 -11.141 13.535 -15.113 1.00 0.96 H new ATOM 0 HB2 ASN B 66 -9.218 15.114 -14.985 1.00 1.12 H new ATOM 0 HB3 ASN B 66 -8.277 13.890 -14.156 1.00 1.12 H new ATOM 0 HD21 ASN B 66 -7.071 13.229 -17.470 1.00 2.98 H new ATOM 0 HD22 ASN B 66 -6.766 14.143 -15.989 1.00 2.98 H new ATOM 2692 N GLN B 67 -11.286 11.250 -13.724 1.00 0.95 N ATOM 2693 CA GLN B 67 -11.328 9.803 -13.635 1.00 0.98 C ATOM 2694 C GLN B 67 -10.795 9.127 -14.900 1.00 1.22 C ATOM 2695 O GLN B 67 -10.105 8.109 -14.843 1.00 1.46 O ATOM 2696 CB GLN B 67 -12.763 9.324 -13.407 1.00 1.17 C ATOM 2697 CG GLN B 67 -13.824 10.040 -14.268 1.00 1.37 C ATOM 2698 CD GLN B 67 -14.688 9.050 -15.041 1.00 2.49 C ATOM 2699 OE1 GLN B 67 -15.801 8.747 -14.625 1.00 3.21 O ATOM 2700 NE2 GLN B 67 -14.184 8.521 -16.151 1.00 3.65 N ATOM 0 H GLN B 67 -12.151 11.711 -13.442 1.00 0.95 H new ATOM 0 HA GLN B 67 -10.691 9.527 -12.795 1.00 0.98 H new ATOM 0 HB2 GLN B 67 -12.811 8.254 -13.610 1.00 1.17 H new ATOM 0 HB3 GLN B 67 -13.015 9.461 -12.355 1.00 1.17 H new ATOM 0 HG2 GLN B 67 -14.458 10.653 -13.628 1.00 1.37 H new ATOM 0 HG3 GLN B 67 -13.330 10.714 -14.967 1.00 1.37 H new ATOM 0 HE21 GLN B 67 -13.255 8.795 -16.470 1.00 3.65 H new ATOM 0 HE22 GLN B 67 -14.727 7.841 -16.684 1.00 3.65 H new ATOM 2709 N ASP B 68 -11.154 9.697 -16.051 1.00 1.29 N ATOM 2710 CA ASP B 68 -10.901 9.112 -17.352 1.00 1.46 C ATOM 2711 C ASP B 68 -9.393 8.960 -17.627 1.00 1.64 C ATOM 2712 O ASP B 68 -8.983 8.237 -18.530 1.00 2.03 O ATOM 2713 CB ASP B 68 -11.588 9.991 -18.401 1.00 1.36 C ATOM 2714 CG ASP B 68 -11.585 9.338 -19.775 1.00 2.27 C ATOM 2715 OD1 ASP B 68 -12.313 8.332 -19.911 1.00 3.10 O ATOM 2716 OD2 ASP B 68 -10.894 9.880 -20.664 1.00 3.36 O ATOM 0 H ASP B 68 -11.637 10.594 -16.097 1.00 1.29 H new ATOM 0 HA ASP B 68 -11.310 8.102 -17.392 1.00 1.46 H new ATOM 0 HB2 ASP B 68 -12.615 10.187 -18.094 1.00 1.36 H new ATOM 0 HB3 ASP B 68 -11.082 10.955 -18.456 1.00 1.36 H new ATOM 2721 N SER B 69 -8.547 9.589 -16.797 1.00 1.46 N ATOM 2722 CA SER B 69 -7.106 9.362 -16.776 1.00 1.60 C ATOM 2723 C SER B 69 -6.727 7.882 -16.608 1.00 1.57 C ATOM 2724 O SER B 69 -5.561 7.534 -16.836 1.00 3.11 O ATOM 2725 CB SER B 69 -6.497 10.156 -15.613 1.00 1.58 C ATOM 2726 OG SER B 69 -5.084 10.104 -15.674 1.00 2.36 O ATOM 0 H SER B 69 -8.857 10.280 -16.113 1.00 1.46 H new ATOM 0 HA SER B 69 -6.717 9.690 -17.740 1.00 1.60 H new ATOM 0 HB2 SER B 69 -6.832 11.192 -15.655 1.00 1.58 H new ATOM 0 HB3 SER B 69 -6.843 9.748 -14.663 1.00 1.58 H new ATOM 0 HG SER B 69 -4.803 9.227 -16.010 1.00 2.36 H new ATOM 2732 N GLU B 70 -7.656 7.058 -16.109 1.00 1.18 N ATOM 2733 CA GLU B 70 -7.439 5.688 -15.662 1.00 1.24 C ATOM 2734 C GLU B 70 -6.561 5.662 -14.429 1.00 1.12 C ATOM 2735 O GLU B 70 -6.016 6.683 -14.009 1.00 1.35 O ATOM 2736 CB GLU B 70 -6.867 4.753 -16.743 1.00 1.45 C ATOM 2737 CG GLU B 70 -7.827 4.624 -17.915 1.00 2.17 C ATOM 2738 CD GLU B 70 -9.105 3.905 -17.531 1.00 4.28 C ATOM 2739 OE1 GLU B 70 -9.070 2.654 -17.565 1.00 4.84 O ATOM 2740 OE2 GLU B 70 -10.079 4.600 -17.182 1.00 5.95 O ATOM 0 H GLU B 70 -8.628 7.349 -16.003 1.00 1.18 H new ATOM 0 HA GLU B 70 -8.429 5.299 -15.422 1.00 1.24 H new ATOM 0 HB2 GLU B 70 -5.910 5.139 -17.093 1.00 1.45 H new ATOM 0 HB3 GLU B 70 -6.677 3.769 -16.314 1.00 1.45 H new ATOM 0 HG2 GLU B 70 -8.070 5.617 -18.294 1.00 2.17 H new ATOM 0 HG3 GLU B 70 -7.338 4.084 -18.726 1.00 2.17 H new ATOM 2747 N LEU B 71 -6.433 4.471 -13.855 1.00 1.05 N ATOM 2748 CA LEU B 71 -5.631 4.264 -12.660 1.00 1.17 C ATOM 2749 C LEU B 71 -4.352 3.522 -13.035 1.00 1.04 C ATOM 2750 O LEU B 71 -4.348 2.722 -13.970 1.00 1.07 O ATOM 2751 CB LEU B 71 -6.471 3.530 -11.608 1.00 1.47 C ATOM 2752 CG LEU B 71 -5.936 3.649 -10.175 1.00 1.33 C ATOM 2753 CD1 LEU B 71 -5.942 5.089 -9.642 1.00 1.70 C ATOM 2754 CD2 LEU B 71 -6.858 2.810 -9.288 1.00 2.47 C ATOM 0 H LEU B 71 -6.882 3.625 -14.206 1.00 1.05 H new ATOM 0 HA LEU B 71 -5.330 5.214 -12.219 1.00 1.17 H new ATOM 0 HB2 LEU B 71 -7.489 3.920 -11.637 1.00 1.47 H new ATOM 0 HB3 LEU B 71 -6.526 2.475 -11.876 1.00 1.47 H new ATOM 0 HG LEU B 71 -4.900 3.311 -10.167 1.00 1.33 H new ATOM 0 HD11 LEU B 71 -5.552 5.102 -8.624 1.00 1.70 H new ATOM 0 HD12 LEU B 71 -5.317 5.715 -10.279 1.00 1.70 H new ATOM 0 HD13 LEU B 71 -6.962 5.474 -9.644 1.00 1.70 H new ATOM 0 HD21 LEU B 71 -6.516 2.864 -8.254 1.00 2.47 H new ATOM 0 HD22 LEU B 71 -7.876 3.195 -9.354 1.00 2.47 H new ATOM 0 HD23 LEU B 71 -6.840 1.773 -9.623 1.00 2.47 H new ATOM 2766 N LYS B 72 -3.254 3.817 -12.333 1.00 0.97 N ATOM 2767 CA LYS B 72 -1.984 3.120 -12.467 1.00 0.96 C ATOM 2768 C LYS B 72 -1.517 2.779 -11.054 1.00 0.84 C ATOM 2769 O LYS B 72 -1.824 3.545 -10.137 1.00 0.63 O ATOM 2770 CB LYS B 72 -0.930 3.978 -13.195 1.00 1.08 C ATOM 2771 CG LYS B 72 -1.443 4.624 -14.494 1.00 1.39 C ATOM 2772 CD LYS B 72 -1.964 6.048 -14.227 1.00 2.32 C ATOM 2773 CE LYS B 72 -3.244 6.392 -14.997 1.00 3.53 C ATOM 2774 NZ LYS B 72 -3.070 6.583 -16.449 1.00 3.69 N ATOM 0 H LYS B 72 -3.229 4.566 -11.641 1.00 0.97 H new ATOM 0 HA LYS B 72 -2.113 2.221 -13.070 1.00 0.96 H new ATOM 0 HB2 LYS B 72 -0.586 4.763 -12.521 1.00 1.08 H new ATOM 0 HB3 LYS B 72 -0.066 3.356 -13.427 1.00 1.08 H new ATOM 0 HG2 LYS B 72 -0.640 4.658 -15.231 1.00 1.39 H new ATOM 0 HG3 LYS B 72 -2.240 4.014 -14.919 1.00 1.39 H new ATOM 0 HD2 LYS B 72 -2.151 6.162 -13.159 1.00 2.32 H new ATOM 0 HD3 LYS B 72 -1.187 6.765 -14.493 1.00 2.32 H new ATOM 0 HE2 LYS B 72 -3.971 5.596 -14.836 1.00 3.53 H new ATOM 0 HE3 LYS B 72 -3.669 7.303 -14.575 1.00 3.53 H new ATOM 0 HZ1 LYS B 72 -3.974 6.878 -16.871 1.00 3.69 H new ATOM 0 HZ2 LYS B 72 -2.353 7.317 -16.619 1.00 3.69 H new ATOM 0 HZ3 LYS B 72 -2.761 5.689 -16.882 1.00 3.69 H new ATOM 2788 N PHE B 73 -0.801 1.662 -10.880 1.00 1.06 N ATOM 2789 CA PHE B 73 -0.367 1.134 -9.585 1.00 0.94 C ATOM 2790 C PHE B 73 0.082 2.237 -8.620 1.00 0.79 C ATOM 2791 O PHE B 73 -0.362 2.304 -7.474 1.00 0.61 O ATOM 2792 CB PHE B 73 0.732 0.073 -9.771 1.00 1.19 C ATOM 2793 CG PHE B 73 2.041 0.572 -10.351 1.00 0.83 C ATOM 2794 CD1 PHE B 73 2.211 0.644 -11.744 1.00 1.96 C ATOM 2795 CD2 PHE B 73 3.055 1.049 -9.502 1.00 2.22 C ATOM 2796 CE1 PHE B 73 3.347 1.260 -12.289 1.00 2.55 C ATOM 2797 CE2 PHE B 73 4.176 1.700 -10.046 1.00 3.22 C ATOM 2798 CZ PHE B 73 4.328 1.798 -11.440 1.00 2.96 C ATOM 0 H PHE B 73 -0.499 1.083 -11.664 1.00 1.06 H new ATOM 0 HA PHE B 73 -1.234 0.658 -9.127 1.00 0.94 H new ATOM 0 HB2 PHE B 73 0.936 -0.384 -8.803 1.00 1.19 H new ATOM 0 HB3 PHE B 73 0.345 -0.713 -10.420 1.00 1.19 H new ATOM 0 HD1 PHE B 73 1.463 0.223 -12.399 1.00 1.96 H new ATOM 0 HD2 PHE B 73 2.973 0.916 -8.433 1.00 2.22 H new ATOM 0 HE1 PHE B 73 3.467 1.321 -13.361 1.00 2.55 H new ATOM 0 HE2 PHE B 73 4.922 2.126 -9.391 1.00 3.22 H new ATOM 0 HZ PHE B 73 5.197 2.286 -11.857 1.00 2.96 H new ATOM 2808 N ASN B 74 0.963 3.115 -9.099 1.00 1.00 N ATOM 2809 CA ASN B 74 1.545 4.189 -8.311 1.00 1.09 C ATOM 2810 C ASN B 74 0.466 5.084 -7.696 1.00 0.88 C ATOM 2811 O ASN B 74 0.560 5.446 -6.526 1.00 0.97 O ATOM 2812 CB ASN B 74 2.493 4.991 -9.207 1.00 1.50 C ATOM 2813 CG ASN B 74 3.070 6.202 -8.487 1.00 1.45 C ATOM 2814 OD1 ASN B 74 2.933 7.329 -8.961 1.00 2.51 O ATOM 2815 ND2 ASN B 74 3.767 5.986 -7.382 1.00 2.65 N ATOM 0 H ASN B 74 1.295 3.095 -10.063 1.00 1.00 H new ATOM 0 HA ASN B 74 2.104 3.764 -7.477 1.00 1.09 H new ATOM 0 HB2 ASN B 74 3.306 4.347 -9.543 1.00 1.50 H new ATOM 0 HB3 ASN B 74 1.958 5.320 -10.098 1.00 1.50 H new ATOM 0 HD21 ASN B 74 4.210 6.767 -6.897 1.00 2.65 H new ATOM 0 HD22 ASN B 74 3.861 5.039 -7.015 1.00 2.65 H new ATOM 2822 N GLU B 75 -0.557 5.433 -8.482 1.00 0.75 N ATOM 2823 CA GLU B 75 -1.632 6.310 -8.040 1.00 0.61 C ATOM 2824 C GLU B 75 -2.612 5.520 -7.170 1.00 0.55 C ATOM 2825 O GLU B 75 -2.969 5.957 -6.075 1.00 0.65 O ATOM 2826 CB GLU B 75 -2.310 6.945 -9.264 1.00 0.66 C ATOM 2827 CG GLU B 75 -3.278 8.071 -8.878 1.00 2.14 C ATOM 2828 CD GLU B 75 -2.545 9.234 -8.226 1.00 3.14 C ATOM 2829 OE1 GLU B 75 -1.975 10.063 -8.966 1.00 3.58 O ATOM 2830 OE2 GLU B 75 -2.453 9.272 -6.982 1.00 4.57 O ATOM 0 H GLU B 75 -0.658 5.111 -9.445 1.00 0.75 H new ATOM 0 HA GLU B 75 -1.237 7.121 -7.429 1.00 0.61 H new ATOM 0 HB2 GLU B 75 -1.547 7.340 -9.935 1.00 0.66 H new ATOM 0 HB3 GLU B 75 -2.852 6.177 -9.815 1.00 0.66 H new ATOM 0 HG2 GLU B 75 -3.803 8.422 -9.766 1.00 2.14 H new ATOM 0 HG3 GLU B 75 -4.033 7.685 -8.193 1.00 2.14 H new ATOM 2837 N TYR B 76 -2.999 4.326 -7.647 1.00 0.51 N ATOM 2838 CA TYR B 76 -3.802 3.349 -6.912 1.00 0.58 C ATOM 2839 C TYR B 76 -3.366 3.329 -5.451 1.00 0.54 C ATOM 2840 O TYR B 76 -4.196 3.428 -4.546 1.00 0.58 O ATOM 2841 CB TYR B 76 -3.657 1.966 -7.589 1.00 0.68 C ATOM 2842 CG TYR B 76 -3.753 0.735 -6.699 1.00 1.03 C ATOM 2843 CD1 TYR B 76 -2.689 0.397 -5.841 1.00 2.63 C ATOM 2844 CD2 TYR B 76 -4.823 -0.167 -6.841 1.00 2.16 C ATOM 2845 CE1 TYR B 76 -2.811 -0.673 -4.952 1.00 3.08 C ATOM 2846 CE2 TYR B 76 -4.849 -1.351 -6.081 1.00 2.25 C ATOM 2847 CZ TYR B 76 -3.857 -1.587 -5.114 1.00 2.01 C ATOM 2848 OH TYR B 76 -3.815 -2.752 -4.420 1.00 2.55 O ATOM 0 H TYR B 76 -2.751 4.009 -8.584 1.00 0.51 H new ATOM 0 HA TYR B 76 -4.857 3.621 -6.932 1.00 0.58 H new ATOM 0 HB2 TYR B 76 -4.425 1.886 -8.358 1.00 0.68 H new ATOM 0 HB3 TYR B 76 -2.693 1.940 -8.097 1.00 0.68 H new ATOM 0 HD1 TYR B 76 -1.773 0.969 -5.871 1.00 2.63 H new ATOM 0 HD2 TYR B 76 -5.624 0.049 -7.533 1.00 2.16 H new ATOM 0 HE1 TYR B 76 -2.103 -0.794 -4.145 1.00 3.08 H new ATOM 0 HE2 TYR B 76 -5.631 -2.078 -6.241 1.00 2.25 H new ATOM 0 HH TYR B 76 -3.337 -2.613 -3.576 1.00 2.55 H new ATOM 2858 N TRP B 77 -2.051 3.224 -5.246 1.00 0.48 N ATOM 2859 CA TRP B 77 -1.445 3.126 -3.938 1.00 0.47 C ATOM 2860 C TRP B 77 -1.998 4.202 -3.008 1.00 0.51 C ATOM 2861 O TRP B 77 -2.731 3.907 -2.068 1.00 0.53 O ATOM 2862 CB TRP B 77 0.075 3.207 -4.095 1.00 0.48 C ATOM 2863 CG TRP B 77 0.758 2.144 -3.333 1.00 0.46 C ATOM 2864 CD1 TRP B 77 1.097 2.231 -2.038 1.00 0.45 C ATOM 2865 CD2 TRP B 77 1.211 0.841 -3.787 1.00 0.50 C ATOM 2866 NE1 TRP B 77 1.694 1.066 -1.646 1.00 0.51 N ATOM 2867 CE2 TRP B 77 1.858 0.196 -2.696 1.00 0.54 C ATOM 2868 CE3 TRP B 77 1.196 0.163 -5.018 1.00 0.56 C ATOM 2869 CZ2 TRP B 77 2.500 -1.039 -2.828 1.00 0.65 C ATOM 2870 CZ3 TRP B 77 1.786 -1.103 -5.130 1.00 0.64 C ATOM 2871 CH2 TRP B 77 2.441 -1.702 -4.056 1.00 0.69 C ATOM 0 H TRP B 77 -1.373 3.205 -6.008 1.00 0.48 H new ATOM 0 HA TRP B 77 -1.690 2.169 -3.477 1.00 0.47 H new ATOM 0 HB2 TRP B 77 0.337 3.125 -5.150 1.00 0.48 H new ATOM 0 HB3 TRP B 77 0.425 4.182 -3.755 1.00 0.48 H new ATOM 0 HD1 TRP B 77 0.925 3.088 -1.404 1.00 0.45 H new ATOM 0 HE1 TRP B 77 1.983 0.866 -0.688 1.00 0.51 H new ATOM 0 HE3 TRP B 77 0.729 0.618 -5.879 1.00 0.56 H new ATOM 0 HZ2 TRP B 77 3.032 -1.473 -1.995 1.00 0.65 H new ATOM 0 HZ3 TRP B 77 1.732 -1.628 -6.072 1.00 0.64 H new ATOM 0 HH2 TRP B 77 2.900 -2.673 -4.172 1.00 0.69 H new ATOM 2882 N ARG B 78 -1.647 5.454 -3.297 1.00 0.57 N ATOM 2883 CA ARG B 78 -2.108 6.651 -2.613 1.00 0.67 C ATOM 2884 C ARG B 78 -3.607 6.559 -2.257 1.00 0.66 C ATOM 2885 O ARG B 78 -3.953 6.766 -1.097 1.00 0.67 O ATOM 2886 CB ARG B 78 -1.774 7.893 -3.470 1.00 0.85 C ATOM 2887 CG ARG B 78 -0.380 7.755 -4.112 1.00 1.25 C ATOM 2888 CD ARG B 78 0.352 9.053 -4.452 1.00 1.40 C ATOM 2889 NE ARG B 78 -0.168 9.681 -5.677 1.00 2.09 N ATOM 2890 CZ ARG B 78 0.504 10.574 -6.418 1.00 2.98 C ATOM 2891 NH1 ARG B 78 1.759 10.911 -6.087 1.00 3.46 N ATOM 2892 NH2 ARG B 78 -0.067 11.135 -7.486 1.00 4.07 N ATOM 0 H ARG B 78 -0.999 5.667 -4.055 1.00 0.57 H new ATOM 0 HA ARG B 78 -1.584 6.746 -1.662 1.00 0.67 H new ATOM 0 HB2 ARG B 78 -2.527 8.017 -4.248 1.00 0.85 H new ATOM 0 HB3 ARG B 78 -1.807 8.788 -2.849 1.00 0.85 H new ATOM 0 HG2 ARG B 78 0.250 7.176 -3.436 1.00 1.25 H new ATOM 0 HG3 ARG B 78 -0.484 7.173 -5.028 1.00 1.25 H new ATOM 0 HD2 ARG B 78 0.257 9.750 -3.620 1.00 1.40 H new ATOM 0 HD3 ARG B 78 1.415 8.847 -4.575 1.00 1.40 H new ATOM 0 HE ARG B 78 -1.105 9.419 -5.984 1.00 2.09 H new ATOM 0 HH11 ARG B 78 2.202 10.488 -5.272 1.00 3.46 H new ATOM 0 HH12 ARG B 78 2.270 11.590 -6.651 1.00 3.46 H new ATOM 0 HH21 ARG B 78 -1.022 10.885 -7.744 1.00 4.07 H new ATOM 0 HH22 ARG B 78 0.451 11.813 -8.044 1.00 4.07 H new ATOM 2906 N LEU B 79 -4.493 6.200 -3.201 1.00 0.66 N ATOM 2907 CA LEU B 79 -5.932 6.092 -2.910 1.00 0.68 C ATOM 2908 C LEU B 79 -6.207 5.077 -1.799 1.00 0.55 C ATOM 2909 O LEU B 79 -6.948 5.375 -0.863 1.00 0.55 O ATOM 2910 CB LEU B 79 -6.782 5.698 -4.130 1.00 0.86 C ATOM 2911 CG LEU B 79 -7.109 6.824 -5.123 1.00 1.14 C ATOM 2912 CD1 LEU B 79 -5.884 7.596 -5.617 1.00 1.51 C ATOM 2913 CD2 LEU B 79 -7.810 6.191 -6.332 1.00 1.66 C ATOM 0 H LEU B 79 -4.241 5.981 -4.165 1.00 0.66 H new ATOM 0 HA LEU B 79 -6.222 7.095 -2.597 1.00 0.68 H new ATOM 0 HB2 LEU B 79 -6.261 4.907 -4.669 1.00 0.86 H new ATOM 0 HB3 LEU B 79 -7.720 5.275 -3.771 1.00 0.86 H new ATOM 0 HG LEU B 79 -7.736 7.546 -4.600 1.00 1.14 H new ATOM 0 HD11 LEU B 79 -6.200 8.373 -6.314 1.00 1.51 H new ATOM 0 HD12 LEU B 79 -5.376 8.054 -4.768 1.00 1.51 H new ATOM 0 HD13 LEU B 79 -5.202 6.912 -6.122 1.00 1.51 H new ATOM 0 HD21 LEU B 79 -8.056 6.967 -7.057 1.00 1.66 H new ATOM 0 HD22 LEU B 79 -7.148 5.459 -6.794 1.00 1.66 H new ATOM 0 HD23 LEU B 79 -8.725 5.697 -6.005 1.00 1.66 H new ATOM 2925 N ILE B 80 -5.670 3.855 -1.881 1.00 0.51 N ATOM 2926 CA ILE B 80 -5.936 2.900 -0.800 1.00 0.47 C ATOM 2927 C ILE B 80 -5.206 3.356 0.484 1.00 0.43 C ATOM 2928 O ILE B 80 -5.636 3.064 1.600 1.00 0.45 O ATOM 2929 CB ILE B 80 -5.730 1.420 -1.208 1.00 0.49 C ATOM 2930 CG1 ILE B 80 -4.303 0.969 -0.895 1.00 0.58 C ATOM 2931 CG2 ILE B 80 -5.991 1.208 -2.695 1.00 0.52 C ATOM 2932 CD1 ILE B 80 -3.950 -0.496 -1.164 1.00 0.47 C ATOM 0 H ILE B 80 -5.080 3.516 -2.641 1.00 0.51 H new ATOM 0 HA ILE B 80 -7.001 2.913 -0.570 1.00 0.47 H new ATOM 0 HB ILE B 80 -6.443 0.829 -0.633 1.00 0.49 H new ATOM 0 HG12 ILE B 80 -3.619 1.591 -1.472 1.00 0.58 H new ATOM 0 HG13 ILE B 80 -4.109 1.174 0.158 1.00 0.58 H new ATOM 0 HG21 ILE B 80 -5.837 0.158 -2.945 1.00 0.52 H new ATOM 0 HG22 ILE B 80 -7.018 1.490 -2.928 1.00 0.52 H new ATOM 0 HG23 ILE B 80 -5.305 1.824 -3.276 1.00 0.52 H new ATOM 0 HD11 ILE B 80 -2.908 -0.674 -0.897 1.00 0.47 H new ATOM 0 HD12 ILE B 80 -4.594 -1.141 -0.566 1.00 0.47 H new ATOM 0 HD13 ILE B 80 -4.096 -0.717 -2.221 1.00 0.47 H new ATOM 2944 N GLY B 81 -4.122 4.123 0.335 1.00 0.47 N ATOM 2945 CA GLY B 81 -3.509 4.885 1.414 1.00 0.57 C ATOM 2946 C GLY B 81 -4.547 5.773 2.103 1.00 0.57 C ATOM 2947 O GLY B 81 -4.644 5.783 3.331 1.00 0.63 O ATOM 0 H GLY B 81 -3.641 4.230 -0.558 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -3.065 4.204 2.140 1.00 0.57 H new ATOM 0 HA3 GLY B 81 -2.701 5.500 1.018 1.00 0.57 H new ATOM 2951 N GLU B 82 -5.343 6.503 1.316 1.00 0.59 N ATOM 2952 CA GLU B 82 -6.486 7.230 1.838 1.00 0.63 C ATOM 2953 C GLU B 82 -7.473 6.267 2.508 1.00 0.54 C ATOM 2954 O GLU B 82 -7.851 6.499 3.657 1.00 0.55 O ATOM 2955 CB GLU B 82 -7.148 8.119 0.787 1.00 0.83 C ATOM 2956 CG GLU B 82 -6.194 9.201 0.275 1.00 1.03 C ATOM 2957 CD GLU B 82 -6.967 10.215 -0.552 1.00 2.24 C ATOM 2958 OE1 GLU B 82 -7.170 9.929 -1.750 1.00 3.08 O ATOM 2959 OE2 GLU B 82 -7.359 11.234 0.053 1.00 3.24 O ATOM 0 H GLU B 82 -5.209 6.601 0.310 1.00 0.59 H new ATOM 0 HA GLU B 82 -6.123 7.916 2.603 1.00 0.63 H new ATOM 0 HB2 GLU B 82 -7.484 7.505 -0.049 1.00 0.83 H new ATOM 0 HB3 GLU B 82 -8.034 8.588 1.214 1.00 0.83 H new ATOM 0 HG2 GLU B 82 -5.707 9.697 1.115 1.00 1.03 H new ATOM 0 HG3 GLU B 82 -5.407 8.749 -0.328 1.00 1.03 H new ATOM 2966 N LEU B 83 -7.833 5.156 1.852 1.00 0.52 N ATOM 2967 CA LEU B 83 -8.740 4.169 2.430 1.00 0.56 C ATOM 2968 C LEU B 83 -8.305 3.822 3.860 1.00 0.53 C ATOM 2969 O LEU B 83 -9.117 3.879 4.784 1.00 0.59 O ATOM 2970 CB LEU B 83 -8.882 2.963 1.493 1.00 0.69 C ATOM 2971 CG LEU B 83 -9.894 1.918 1.981 1.00 1.81 C ATOM 2972 CD1 LEU B 83 -10.566 1.263 0.771 1.00 2.05 C ATOM 2973 CD2 LEU B 83 -9.176 0.835 2.793 1.00 3.67 C ATOM 0 H LEU B 83 -7.505 4.922 0.915 1.00 0.52 H new ATOM 0 HA LEU B 83 -9.743 4.584 2.523 1.00 0.56 H new ATOM 0 HB2 LEU B 83 -9.183 3.314 0.506 1.00 0.69 H new ATOM 0 HB3 LEU B 83 -7.908 2.487 1.378 1.00 0.69 H new ATOM 0 HG LEU B 83 -10.640 2.409 2.607 1.00 1.81 H new ATOM 0 HD11 LEU B 83 -11.286 0.520 1.113 1.00 2.05 H new ATOM 0 HD12 LEU B 83 -11.081 2.024 0.185 1.00 2.05 H new ATOM 0 HD13 LEU B 83 -9.810 0.779 0.153 1.00 2.05 H new ATOM 0 HD21 LEU B 83 -9.901 0.097 3.136 1.00 3.67 H new ATOM 0 HD22 LEU B 83 -8.429 0.346 2.167 1.00 3.67 H new ATOM 0 HD23 LEU B 83 -8.687 1.290 3.654 1.00 3.67 H new ATOM 2985 N ALA B 84 -7.013 3.529 4.063 1.00 0.54 N ATOM 2986 CA ALA B 84 -6.463 3.266 5.389 1.00 0.66 C ATOM 2987 C ALA B 84 -6.714 4.367 6.442 1.00 0.73 C ATOM 2988 O ALA B 84 -6.758 4.041 7.632 1.00 0.92 O ATOM 2989 CB ALA B 84 -4.968 2.952 5.269 1.00 0.71 C ATOM 0 H ALA B 84 -6.326 3.469 3.311 1.00 0.54 H new ATOM 0 HA ALA B 84 -7.009 2.404 5.771 1.00 0.66 H new ATOM 0 HB1 ALA B 84 -4.557 2.756 6.259 1.00 0.71 H new ATOM 0 HB2 ALA B 84 -4.830 2.074 4.638 1.00 0.71 H new ATOM 0 HB3 ALA B 84 -4.452 3.803 4.824 1.00 0.71 H new ATOM 2995 N LYS B 85 -6.803 5.659 6.078 1.00 0.73 N ATOM 2996 CA LYS B 85 -7.182 6.724 7.024 1.00 0.86 C ATOM 2997 C LYS B 85 -8.706 6.785 7.183 1.00 0.84 C ATOM 2998 O LYS B 85 -9.204 6.854 8.305 1.00 0.99 O ATOM 2999 CB LYS B 85 -6.546 8.106 6.717 1.00 1.09 C ATOM 3000 CG LYS B 85 -6.746 8.578 5.279 1.00 1.65 C ATOM 3001 CD LYS B 85 -6.447 10.049 4.954 1.00 1.73 C ATOM 3002 CE LYS B 85 -4.972 10.422 4.771 1.00 2.26 C ATOM 3003 NZ LYS B 85 -4.330 10.846 6.028 1.00 2.85 N ATOM 0 H LYS B 85 -6.617 5.991 5.132 1.00 0.73 H new ATOM 0 HA LYS B 85 -6.754 6.452 7.989 1.00 0.86 H new ATOM 0 HB2 LYS B 85 -6.970 8.848 7.394 1.00 1.09 H new ATOM 0 HB3 LYS B 85 -5.478 8.057 6.927 1.00 1.09 H new ATOM 0 HG2 LYS B 85 -6.120 7.960 4.635 1.00 1.65 H new ATOM 0 HG3 LYS B 85 -7.782 8.379 5.003 1.00 1.65 H new ATOM 0 HD2 LYS B 85 -6.981 10.312 4.041 1.00 1.73 H new ATOM 0 HD3 LYS B 85 -6.858 10.666 5.753 1.00 1.73 H new ATOM 0 HE2 LYS B 85 -4.433 9.566 4.364 1.00 2.26 H new ATOM 0 HE3 LYS B 85 -4.893 11.226 4.039 1.00 2.26 H new ATOM 0 HZ1 LYS B 85 -3.312 10.988 5.867 1.00 2.85 H new ATOM 0 HZ2 LYS B 85 -4.757 11.737 6.353 1.00 2.85 H new ATOM 0 HZ3 LYS B 85 -4.467 10.112 6.752 1.00 2.85 H new ATOM 3017 N GLU B 86 -9.425 6.765 6.060 1.00 0.73 N ATOM 3018 CA GLU B 86 -10.877 6.739 5.945 1.00 0.74 C ATOM 3019 C GLU B 86 -11.469 5.619 6.807 1.00 0.78 C ATOM 3020 O GLU B 86 -11.947 5.886 7.916 1.00 0.91 O ATOM 3021 CB GLU B 86 -11.185 6.589 4.454 1.00 0.74 C ATOM 3022 CG GLU B 86 -11.096 7.939 3.729 1.00 0.97 C ATOM 3023 CD GLU B 86 -11.093 7.714 2.231 1.00 1.46 C ATOM 3024 OE1 GLU B 86 -10.140 7.083 1.731 1.00 2.14 O ATOM 3025 OE2 GLU B 86 -12.080 8.075 1.561 1.00 2.70 O ATOM 0 H GLU B 86 -8.973 6.767 5.145 1.00 0.73 H new ATOM 0 HA GLU B 86 -11.338 7.653 6.320 1.00 0.74 H new ATOM 0 HB2 GLU B 86 -10.484 5.885 4.005 1.00 0.74 H new ATOM 0 HB3 GLU B 86 -12.183 6.170 4.327 1.00 0.74 H new ATOM 0 HG2 GLU B 86 -11.939 8.570 4.010 1.00 0.97 H new ATOM 0 HG3 GLU B 86 -10.190 8.465 4.029 1.00 0.97 H new ATOM 3032 N ILE B 87 -11.439 4.373 6.332 1.00 0.76 N ATOM 3033 CA ILE B 87 -11.980 3.253 7.082 1.00 0.80 C ATOM 3034 C ILE B 87 -10.913 2.828 8.091 1.00 0.90 C ATOM 3035 O ILE B 87 -9.871 2.269 7.753 1.00 0.98 O ATOM 3036 CB ILE B 87 -12.496 2.133 6.151 1.00 0.83 C ATOM 3037 CG1 ILE B 87 -13.548 1.226 6.819 1.00 1.08 C ATOM 3038 CG2 ILE B 87 -11.402 1.275 5.507 1.00 1.15 C ATOM 3039 CD1 ILE B 87 -13.233 0.781 8.249 1.00 1.66 C ATOM 0 H ILE B 87 -11.043 4.120 5.427 1.00 0.76 H new ATOM 0 HA ILE B 87 -12.874 3.534 7.639 1.00 0.80 H new ATOM 0 HB ILE B 87 -12.975 2.688 5.344 1.00 0.83 H new ATOM 0 HG12 ILE B 87 -14.503 1.752 6.824 1.00 1.08 H new ATOM 0 HG13 ILE B 87 -13.678 0.337 6.202 1.00 1.08 H new ATOM 0 HG21 ILE B 87 -11.861 0.517 4.872 1.00 1.15 H new ATOM 0 HG22 ILE B 87 -10.751 1.908 4.904 1.00 1.15 H new ATOM 0 HG23 ILE B 87 -10.815 0.789 6.286 1.00 1.15 H new ATOM 0 HD11 ILE B 87 -14.040 0.148 8.619 1.00 1.66 H new ATOM 0 HD12 ILE B 87 -12.298 0.220 8.258 1.00 1.66 H new ATOM 0 HD13 ILE B 87 -13.136 1.657 8.890 1.00 1.66 H new ATOM 3051 N ARG B 88 -11.178 3.097 9.368 1.00 1.04 N ATOM 3052 CA ARG B 88 -10.261 2.807 10.455 1.00 1.22 C ATOM 3053 C ARG B 88 -10.401 1.329 10.832 1.00 1.19 C ATOM 3054 O ARG B 88 -10.716 0.988 11.968 1.00 1.46 O ATOM 3055 CB ARG B 88 -10.578 3.763 11.612 1.00 1.47 C ATOM 3056 CG ARG B 88 -10.235 5.213 11.222 1.00 2.25 C ATOM 3057 CD ARG B 88 -11.284 6.200 11.748 1.00 2.59 C ATOM 3058 NE ARG B 88 -10.823 7.595 11.644 1.00 3.84 N ATOM 3059 CZ ARG B 88 -10.996 8.436 10.607 1.00 5.08 C ATOM 3060 NH1 ARG B 88 -11.518 8.025 9.447 1.00 5.66 N ATOM 3061 NH2 ARG B 88 -10.648 9.720 10.747 1.00 6.29 N ATOM 0 H ARG B 88 -12.050 3.529 9.675 1.00 1.04 H new ATOM 0 HA ARG B 88 -9.220 2.966 10.174 1.00 1.22 H new ATOM 0 HB2 ARG B 88 -11.634 3.690 11.873 1.00 1.47 H new ATOM 0 HB3 ARG B 88 -10.010 3.474 12.497 1.00 1.47 H new ATOM 0 HG2 ARG B 88 -9.255 5.476 11.620 1.00 2.25 H new ATOM 0 HG3 ARG B 88 -10.170 5.293 10.137 1.00 2.25 H new ATOM 0 HD2 ARG B 88 -12.210 6.080 11.186 1.00 2.59 H new ATOM 0 HD3 ARG B 88 -11.511 5.969 12.789 1.00 2.59 H new ATOM 0 HE ARG B 88 -10.316 7.965 12.448 1.00 3.84 H new ATOM 0 HH11 ARG B 88 -11.797 7.051 9.330 1.00 5.66 H new ATOM 0 HH12 ARG B 88 -11.637 8.685 8.679 1.00 5.66 H new ATOM 0 HH21 ARG B 88 -10.258 10.049 11.630 1.00 6.29 H new ATOM 0 HH22 ARG B 88 -10.773 10.370 9.971 1.00 6.29 H new ATOM 3075 N LYS B 89 -10.138 0.454 9.855 1.00 1.24 N ATOM 3076 CA LYS B 89 -10.218 -0.995 9.995 1.00 1.33 C ATOM 3077 C LYS B 89 -9.178 -1.482 11.013 1.00 1.69 C ATOM 3078 O LYS B 89 -9.358 -2.507 11.666 1.00 1.60 O ATOM 3079 CB LYS B 89 -10.043 -1.646 8.604 1.00 2.04 C ATOM 3080 CG LYS B 89 -8.578 -1.692 8.147 1.00 1.53 C ATOM 3081 CD LYS B 89 -8.382 -1.956 6.645 1.00 2.11 C ATOM 3082 CE LYS B 89 -8.184 -3.437 6.279 1.00 2.85 C ATOM 3083 NZ LYS B 89 -9.400 -4.254 6.434 1.00 4.00 N ATOM 0 H LYS B 89 -9.856 0.748 8.920 1.00 1.24 H new ATOM 0 HA LYS B 89 -11.195 -1.290 10.379 1.00 1.33 H new ATOM 0 HB2 LYS B 89 -10.442 -2.660 8.630 1.00 2.04 H new ATOM 0 HB3 LYS B 89 -10.630 -1.091 7.872 1.00 2.04 H new ATOM 0 HG2 LYS B 89 -8.102 -0.745 8.401 1.00 1.53 H new ATOM 0 HG3 LYS B 89 -8.060 -2.469 8.709 1.00 1.53 H new ATOM 0 HD2 LYS B 89 -9.249 -1.574 6.106 1.00 2.11 H new ATOM 0 HD3 LYS B 89 -7.517 -1.390 6.299 1.00 2.11 H new ATOM 0 HE2 LYS B 89 -7.841 -3.504 5.246 1.00 2.85 H new ATOM 0 HE3 LYS B 89 -7.395 -3.854 6.904 1.00 2.85 H new ATOM 0 HZ1 LYS B 89 -9.147 -5.262 6.404 1.00 4.00 H new ATOM 0 HZ2 LYS B 89 -9.850 -4.037 7.346 1.00 4.00 H new ATOM 0 HZ3 LYS B 89 -10.063 -4.040 5.662 1.00 4.00 H new ATOM 3097 N LYS B 90 -8.062 -0.748 11.101 1.00 2.38 N ATOM 3098 CA LYS B 90 -6.878 -1.067 11.882 1.00 3.21 C ATOM 3099 C LYS B 90 -7.122 -0.959 13.393 1.00 2.31 C ATOM 3100 O LYS B 90 -6.526 -0.135 14.084 1.00 2.47 O ATOM 3101 CB LYS B 90 -5.694 -0.234 11.368 1.00 4.85 C ATOM 3102 CG LYS B 90 -5.864 1.295 11.416 1.00 5.66 C ATOM 3103 CD LYS B 90 -4.686 1.924 10.657 1.00 7.54 C ATOM 3104 CE LYS B 90 -4.639 3.452 10.739 1.00 8.50 C ATOM 3105 NZ LYS B 90 -5.785 4.113 10.080 1.00 9.53 N ATOM 0 H LYS B 90 -7.964 0.133 10.597 1.00 2.38 H new ATOM 0 HA LYS B 90 -6.622 -2.117 11.739 1.00 3.21 H new ATOM 0 HB2 LYS B 90 -4.811 -0.499 11.950 1.00 4.85 H new ATOM 0 HB3 LYS B 90 -5.494 -0.524 10.336 1.00 4.85 H new ATOM 0 HG2 LYS B 90 -6.811 1.588 10.962 1.00 5.66 H new ATOM 0 HG3 LYS B 90 -5.883 1.645 12.448 1.00 5.66 H new ATOM 0 HD2 LYS B 90 -3.754 1.520 11.053 1.00 7.54 H new ATOM 0 HD3 LYS B 90 -4.742 1.628 9.609 1.00 7.54 H new ATOM 0 HE2 LYS B 90 -4.611 3.751 11.787 1.00 8.50 H new ATOM 0 HE3 LYS B 90 -3.714 3.804 10.282 1.00 8.50 H new ATOM 0 HZ1 LYS B 90 -5.573 5.122 9.946 1.00 9.53 H new ATOM 0 HZ2 LYS B 90 -5.957 3.670 9.155 1.00 9.53 H new ATOM 0 HZ3 LYS B 90 -6.632 4.013 10.675 1.00 9.53 H new ATOM 3119 N LYS B 91 -7.989 -1.838 13.888 1.00 1.96 N ATOM 3120 CA LYS B 91 -8.249 -2.118 15.284 1.00 2.12 C ATOM 3121 C LYS B 91 -8.493 -3.626 15.358 1.00 2.20 C ATOM 3122 O LYS B 91 -7.712 -4.352 15.967 1.00 2.86 O ATOM 3123 CB LYS B 91 -9.477 -1.301 15.720 1.00 2.95 C ATOM 3124 CG LYS B 91 -9.999 -1.675 17.114 1.00 3.32 C ATOM 3125 CD LYS B 91 -11.338 -0.967 17.360 1.00 4.21 C ATOM 3126 CE LYS B 91 -12.055 -1.481 18.617 1.00 4.66 C ATOM 3127 NZ LYS B 91 -11.254 -1.298 19.842 1.00 4.98 N ATOM 0 H LYS B 91 -8.567 -2.411 13.273 1.00 1.96 H new ATOM 0 HA LYS B 91 -7.431 -1.843 15.949 1.00 2.12 H new ATOM 0 HB2 LYS B 91 -9.221 -0.242 15.709 1.00 2.95 H new ATOM 0 HB3 LYS B 91 -10.275 -1.444 14.992 1.00 2.95 H new ATOM 0 HG2 LYS B 91 -10.126 -2.755 17.190 1.00 3.32 H new ATOM 0 HG3 LYS B 91 -9.276 -1.385 17.876 1.00 3.32 H new ATOM 0 HD2 LYS B 91 -11.166 0.105 17.457 1.00 4.21 H new ATOM 0 HD3 LYS B 91 -11.984 -1.109 16.494 1.00 4.21 H new ATOM 0 HE2 LYS B 91 -13.006 -0.959 18.728 1.00 4.66 H new ATOM 0 HE3 LYS B 91 -12.285 -2.539 18.492 1.00 4.66 H new ATOM 0 HZ1 LYS B 91 -11.803 -1.614 20.666 1.00 4.98 H new ATOM 0 HZ2 LYS B 91 -10.380 -1.858 19.772 1.00 4.98 H new ATOM 0 HZ3 LYS B 91 -11.013 -0.292 19.952 1.00 4.98 H new ATOM 3141 N ASP B 92 -9.555 -4.087 14.691 1.00 2.04 N ATOM 3142 CA ASP B 92 -9.995 -5.473 14.671 1.00 2.44 C ATOM 3143 C ASP B 92 -10.830 -5.739 13.410 1.00 1.84 C ATOM 3144 O ASP B 92 -11.903 -6.343 13.466 1.00 2.20 O ATOM 3145 CB ASP B 92 -10.803 -5.740 15.956 1.00 3.28 C ATOM 3146 CG ASP B 92 -11.909 -4.717 16.235 1.00 3.70 C ATOM 3147 OD1 ASP B 92 -12.116 -3.812 15.396 1.00 4.23 O ATOM 3148 OD2 ASP B 92 -12.472 -4.802 17.347 1.00 4.51 O ATOM 0 H ASP B 92 -10.150 -3.477 14.131 1.00 2.04 H new ATOM 0 HA ASP B 92 -9.141 -6.150 14.642 1.00 2.44 H new ATOM 0 HB2 ASP B 92 -11.251 -6.731 15.889 1.00 3.28 H new ATOM 0 HB3 ASP B 92 -10.118 -5.756 16.804 1.00 3.28 H new ATOM 3153 N LEU B 93 -10.256 -5.422 12.242 1.00 1.40 N ATOM 3154 CA LEU B 93 -10.928 -5.552 10.950 1.00 1.04 C ATOM 3155 C LEU B 93 -11.559 -6.926 10.737 1.00 0.97 C ATOM 3156 O LEU B 93 -12.654 -7.051 10.196 1.00 1.01 O ATOM 3157 CB LEU B 93 -10.022 -5.142 9.779 1.00 1.65 C ATOM 3158 CG LEU B 93 -8.752 -5.936 9.417 1.00 1.42 C ATOM 3159 CD1 LEU B 93 -7.785 -6.154 10.586 1.00 2.27 C ATOM 3160 CD2 LEU B 93 -9.036 -7.231 8.649 1.00 2.37 C ATOM 0 H LEU B 93 -9.303 -5.065 12.171 1.00 1.40 H new ATOM 0 HA LEU B 93 -11.756 -4.844 10.974 1.00 1.04 H new ATOM 0 HB2 LEU B 93 -10.648 -5.125 8.887 1.00 1.65 H new ATOM 0 HB3 LEU B 93 -9.709 -4.115 9.968 1.00 1.65 H new ATOM 0 HG LEU B 93 -8.225 -5.279 8.726 1.00 1.42 H new ATOM 0 HD11 LEU B 93 -6.920 -6.721 10.242 1.00 2.27 H new ATOM 0 HD12 LEU B 93 -7.456 -5.189 10.971 1.00 2.27 H new ATOM 0 HD13 LEU B 93 -8.290 -6.708 11.378 1.00 2.27 H new ATOM 0 HD21 LEU B 93 -8.096 -7.737 8.428 1.00 2.37 H new ATOM 0 HD22 LEU B 93 -9.665 -7.883 9.255 1.00 2.37 H new ATOM 0 HD23 LEU B 93 -9.549 -6.996 7.717 1.00 2.37 H new ATOM 3172 N LYS B 94 -10.863 -7.960 11.202 1.00 1.22 N ATOM 3173 CA LYS B 94 -11.169 -9.354 10.954 1.00 1.49 C ATOM 3174 C LYS B 94 -12.540 -9.780 11.516 1.00 1.58 C ATOM 3175 O LYS B 94 -13.033 -10.867 11.200 1.00 1.90 O ATOM 3176 CB LYS B 94 -9.986 -10.208 11.433 1.00 1.95 C ATOM 3177 CG LYS B 94 -9.834 -11.529 10.676 1.00 2.68 C ATOM 3178 CD LYS B 94 -8.898 -11.403 9.479 1.00 3.87 C ATOM 3179 CE LYS B 94 -7.420 -11.438 9.901 1.00 5.03 C ATOM 3180 NZ LYS B 94 -6.526 -11.530 8.734 1.00 6.52 N ATOM 0 H LYS B 94 -10.036 -7.837 11.786 1.00 1.22 H new ATOM 0 HA LYS B 94 -11.286 -9.518 9.883 1.00 1.49 H new ATOM 0 HB2 LYS B 94 -9.067 -9.631 11.328 1.00 1.95 H new ATOM 0 HB3 LYS B 94 -10.109 -10.420 12.495 1.00 1.95 H new ATOM 0 HG2 LYS B 94 -9.453 -12.293 11.354 1.00 2.68 H new ATOM 0 HG3 LYS B 94 -10.813 -11.865 10.335 1.00 2.68 H new ATOM 0 HD2 LYS B 94 -9.095 -12.214 8.777 1.00 3.87 H new ATOM 0 HD3 LYS B 94 -9.104 -10.470 8.954 1.00 3.87 H new ATOM 0 HE2 LYS B 94 -7.183 -10.541 10.472 1.00 5.03 H new ATOM 0 HE3 LYS B 94 -7.249 -12.290 10.559 1.00 5.03 H new ATOM 0 HZ1 LYS B 94 -5.649 -11.004 8.926 1.00 6.52 H new ATOM 0 HZ2 LYS B 94 -6.298 -12.528 8.549 1.00 6.52 H new ATOM 0 HZ3 LYS B 94 -6.999 -11.123 7.902 1.00 6.52 H new ATOM 3194 N ILE B 95 -13.113 -8.986 12.432 1.00 1.53 N ATOM 3195 CA ILE B 95 -14.502 -9.133 12.863 1.00 1.81 C ATOM 3196 C ILE B 95 -15.486 -9.042 11.679 1.00 1.96 C ATOM 3197 O ILE B 95 -16.521 -9.704 11.704 1.00 2.42 O ATOM 3198 CB ILE B 95 -14.820 -8.062 13.929 1.00 1.88 C ATOM 3199 CG1 ILE B 95 -13.966 -8.213 15.204 1.00 2.36 C ATOM 3200 CG2 ILE B 95 -16.310 -8.023 14.305 1.00 2.74 C ATOM 3201 CD1 ILE B 95 -14.432 -9.331 16.144 1.00 2.82 C ATOM 0 H ILE B 95 -12.620 -8.222 12.894 1.00 1.53 H new ATOM 0 HA ILE B 95 -14.626 -10.126 13.296 1.00 1.81 H new ATOM 0 HB ILE B 95 -14.561 -7.114 13.457 1.00 1.88 H new ATOM 0 HG12 ILE B 95 -12.932 -8.404 14.915 1.00 2.36 H new ATOM 0 HG13 ILE B 95 -13.976 -7.269 15.748 1.00 2.36 H new ATOM 0 HG21 ILE B 95 -16.475 -7.252 15.058 1.00 2.74 H new ATOM 0 HG22 ILE B 95 -16.903 -7.798 13.419 1.00 2.74 H new ATOM 0 HG23 ILE B 95 -16.610 -8.991 14.706 1.00 2.74 H new ATOM 0 HD11 ILE B 95 -13.778 -9.370 17.015 1.00 2.82 H new ATOM 0 HD12 ILE B 95 -15.454 -9.133 16.466 1.00 2.82 H new ATOM 0 HD13 ILE B 95 -14.395 -10.286 15.620 1.00 2.82 H new ATOM 3213 N ARG B 96 -15.189 -8.216 10.668 1.00 1.64 N ATOM 3214 CA ARG B 96 -16.119 -7.801 9.617 1.00 1.63 C ATOM 3215 C ARG B 96 -17.146 -6.804 10.174 1.00 1.89 C ATOM 3216 O ARG B 96 -16.964 -6.256 11.258 1.00 2.76 O ATOM 3217 CB ARG B 96 -16.786 -8.994 8.913 1.00 1.76 C ATOM 3218 CG ARG B 96 -17.032 -8.718 7.417 1.00 2.19 C ATOM 3219 CD ARG B 96 -18.379 -9.240 6.878 1.00 2.91 C ATOM 3220 NE ARG B 96 -18.360 -10.672 6.525 1.00 3.65 N ATOM 3221 CZ ARG B 96 -18.354 -11.711 7.376 1.00 3.99 C ATOM 3222 NH1 ARG B 96 -18.565 -11.547 8.676 1.00 3.66 N ATOM 3223 NH2 ARG B 96 -18.111 -12.948 6.930 1.00 5.60 N ATOM 0 H ARG B 96 -14.262 -7.806 10.558 1.00 1.64 H new ATOM 0 HA ARG B 96 -15.541 -7.293 8.846 1.00 1.63 H new ATOM 0 HB2 ARG B 96 -16.155 -9.877 9.020 1.00 1.76 H new ATOM 0 HB3 ARG B 96 -17.734 -9.219 9.401 1.00 1.76 H new ATOM 0 HG2 ARG B 96 -16.980 -7.643 7.247 1.00 2.19 H new ATOM 0 HG3 ARG B 96 -16.225 -9.171 6.841 1.00 2.19 H new ATOM 0 HD2 ARG B 96 -19.151 -9.070 7.628 1.00 2.91 H new ATOM 0 HD3 ARG B 96 -18.657 -8.661 5.997 1.00 2.91 H new ATOM 0 HE ARG B 96 -18.350 -10.897 5.530 1.00 3.65 H new ATOM 0 HH11 ARG B 96 -18.737 -10.614 9.051 1.00 3.66 H new ATOM 0 HH12 ARG B 96 -18.555 -12.354 9.300 1.00 3.66 H new ATOM 0 HH21 ARG B 96 -17.929 -13.106 5.939 1.00 5.60 H new ATOM 0 HH22 ARG B 96 -18.108 -13.733 7.581 1.00 5.60 H new