USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 936 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 119 ASN : amide:sc= -4.12! C(o=-4.2!,f=-7.9!) USER MOD Set 1.2: A 120 ASN : amide:sc= -0.0784 K(o=-4.2,f=-5) USER MOD Set 2.1: A 89 SER OG : rot -160:sc= -0.757 USER MOD Set 2.2: A 142 SER OG : rot 180:sc= -0.71 USER MOD Set 3.1: A 85 GLN : amide:sc= -1.1 K(o=-2.8,f=-5.7!) USER MOD Set 3.2: A 148 THR OG1 : rot 71:sc= -1.73 USER MOD Set 4.1: A 61 GLN : amide:sc= 0.00929 X(o=-0.2,f=-0.56) USER MOD Set 4.2: A 135 TYR OH : rot 180:sc= -0.211 USER MOD Set 5.1: A 21 SER OG : rot -168:sc= 0.375 USER MOD Set 5.2: A 52 GLN : amide:sc= 0.682 K(o=1.1,f=-0.56) USER MOD Single : A 1 CYS N :NH3+ -129:sc= 0.109 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.179 USER MOD Single : A 8 LYS NZ :NH3+ -130:sc= 0.263 (180deg=-0.299) USER MOD Single : A 9 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.4!) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.428 F(o=-2.4,f=-0.43) USER MOD Single : A 11 THR OG1 : rot -67:sc= 0.927 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.35! C(o=-3.4!,f=-7!) USER MOD Single : A 17 MET CE :methyl -161:sc=-0.000166 (180deg=-0.27) USER MOD Single : A 18 SER OG : rot 170:sc= 0 USER MOD Single : A 20 SER OG : rot 85:sc= 1.23 USER MOD Single : A 22 SER OG : rot -67:sc= 0.383 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -4.77 X(o=-4.8,f=-4.5) USER MOD Single : A 42 ASN :FLIP amide:sc= 0.185 F(o=-1.6!,f=0.18) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0968) USER MOD Single : A 47 ASN : amide:sc= -5.06! C(o=-5.1!,f=-4.7!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -2.23! USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -2.64 F(o=-3.2,f=-2.6) USER MOD Single : A 55 SER OG : rot 65:sc= 0.277 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot -106:sc= -0.774 USER MOD Single : A 75 THR OG1 : rot 34:sc= 0.162 USER MOD Single : A 76 GLN : amide:sc= -0.534 K(o=-0.53,f=-2!) USER MOD Single : A 83 HIS : no HD1:sc= -0.049 X(o=-0.049,f=-0.22) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 150:sc=-0.00997 USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= -0.54 (180deg=-1.1) USER MOD Single : A 94 HIS : no HE2:sc= -1.65 K(o=-1.6,f=-2.2) USER MOD Single : A 95 SER OG : rot 147:sc= 1.44 USER MOD Single : A 100 GLN : amide:sc=-0.00755 X(o=-0.0076,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot -113:sc= 0.3 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN :FLIP amide:sc= -0.362 F(o=-2.3!,f=-0.36) USER MOD Single : A 116 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.3) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.384 K(o=-0.38,f=-2) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -4.98! C(o=-5!,f=-6.4!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl -128:sc= -1.39 (180deg=-4.01!) USER MOD Single : A 144 HIS : no HD1:sc= -0.855 X(o=-0.85,f=-1) USER MOD Single : A 145 ASN : amide:sc= -1.57! C(o=-1.6!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 3.905 14.793 -14.168 1.00 5.13 N ATOM 75 CA CYS A 1 3.432 13.973 -13.059 1.00 15.21 C ATOM 76 C CYS A 1 4.013 12.564 -13.137 1.00 53.43 C ATOM 77 O CYS A 1 4.872 12.281 -13.972 1.00 45.53 O ATOM 78 CB CYS A 1 1.903 13.907 -13.063 1.00 0.15 C ATOM 79 SG CYS A 1 1.091 15.459 -12.565 1.00 71.40 S ATOM 0 H1 CYS A 1 4.286 15.688 -13.800 1.00 5.13 H new ATOM 0 H2 CYS A 1 4.652 14.284 -14.682 1.00 5.13 H new ATOM 0 H3 CYS A 1 3.115 14.993 -14.814 1.00 5.13 H new ATOM 0 HA CYS A 1 3.767 14.434 -12.130 1.00 15.21 H new ATOM 0 HB2 CYS A 1 1.564 13.637 -14.063 1.00 0.15 H new ATOM 0 HB3 CYS A 1 1.583 13.110 -12.392 1.00 0.15 H new ATOM 83 N SER A 2 3.539 11.685 -12.260 1.00 53.52 N ATOM 84 CA SER A 2 4.014 10.307 -12.227 1.00 21.53 C ATOM 85 C SER A 2 5.461 10.242 -11.746 1.00 63.24 C ATOM 86 O SER A 2 6.344 9.782 -12.468 1.00 0.22 O ATOM 87 CB SER A 2 3.896 9.671 -13.613 1.00 72.11 C ATOM 88 OG SER A 2 2.821 10.235 -14.344 1.00 53.23 O ATOM 0 H SER A 2 2.827 11.903 -11.563 1.00 53.52 H new ATOM 0 HA SER A 2 3.391 9.751 -11.526 1.00 21.53 H new ATOM 0 HB2 SER A 2 4.827 9.813 -14.162 1.00 72.11 H new ATOM 0 HB3 SER A 2 3.746 8.596 -13.512 1.00 72.11 H new ATOM 0 HG SER A 2 2.768 9.813 -15.227 1.00 53.23 H new ATOM 93 N GLU A 3 5.692 10.707 -10.523 1.00 32.33 N ATOM 94 CA GLU A 3 7.032 10.703 -9.946 1.00 61.11 C ATOM 95 C GLU A 3 7.148 9.651 -8.847 1.00 70.21 C ATOM 96 O GLU A 3 6.870 9.907 -7.675 1.00 74.11 O ATOM 97 CB GLU A 3 7.373 12.084 -9.384 1.00 34.42 C ATOM 98 CG GLU A 3 7.141 13.217 -10.369 1.00 71.41 C ATOM 99 CD GLU A 3 8.342 14.132 -10.500 1.00 12.34 C ATOM 100 OE1 GLU A 3 9.112 14.243 -9.523 1.00 2.11 O ATOM 101 OE2 GLU A 3 8.512 14.737 -11.579 1.00 13.24 O ATOM 0 H GLU A 3 4.970 11.091 -9.913 1.00 32.33 H new ATOM 0 HA GLU A 3 7.740 10.456 -10.737 1.00 61.11 H new ATOM 0 HB2 GLU A 3 6.773 12.262 -8.491 1.00 34.42 H new ATOM 0 HB3 GLU A 3 8.418 12.092 -9.073 1.00 34.42 H new ATOM 0 HG2 GLU A 3 6.899 12.800 -11.346 1.00 71.41 H new ATOM 0 HG3 GLU A 3 6.278 13.801 -10.049 1.00 71.41 H new ATOM 106 N PRO A 4 7.567 8.437 -9.232 1.00 30.24 N ATOM 107 CA PRO A 4 7.729 7.321 -8.294 1.00 43.13 C ATOM 108 C PRO A 4 8.900 7.530 -7.341 1.00 50.30 C ATOM 109 O PRO A 4 8.729 8.048 -6.236 1.00 53.12 O ATOM 110 CB PRO A 4 7.993 6.124 -9.211 1.00 2.34 C ATOM 111 CG PRO A 4 8.572 6.715 -10.451 1.00 72.44 C ATOM 112 CD PRO A 4 7.915 8.059 -10.612 1.00 14.05 C ATOM 0 HA PRO A 4 6.858 7.199 -7.650 1.00 43.13 H new ATOM 0 HB2 PRO A 4 8.683 5.417 -8.750 1.00 2.34 H new ATOM 0 HB3 PRO A 4 7.074 5.579 -9.425 1.00 2.34 H new ATOM 0 HG2 PRO A 4 9.654 6.817 -10.367 1.00 72.44 H new ATOM 0 HG3 PRO A 4 8.378 6.079 -11.315 1.00 72.44 H new ATOM 0 HD2 PRO A 4 8.589 8.783 -11.069 1.00 14.05 H new ATOM 0 HD3 PRO A 4 7.031 8.001 -11.247 1.00 14.05 H new ATOM 117 N LEU A 5 10.089 7.125 -7.773 1.00 52.14 N ATOM 118 CA LEU A 5 11.290 7.270 -6.957 1.00 24.43 C ATOM 119 C LEU A 5 12.467 7.748 -7.800 1.00 5.05 C ATOM 120 O LEU A 5 12.811 8.929 -7.792 1.00 65.10 O ATOM 121 CB LEU A 5 11.636 5.940 -6.285 1.00 74.41 C ATOM 122 CG LEU A 5 11.132 4.680 -6.990 1.00 35.32 C ATOM 123 CD1 LEU A 5 12.131 3.544 -6.831 1.00 44.53 C ATOM 124 CD2 LEU A 5 9.770 4.273 -6.447 1.00 53.45 C ATOM 0 H LEU A 5 10.248 6.694 -8.684 1.00 52.14 H new ATOM 0 HA LEU A 5 11.090 8.018 -6.189 1.00 24.43 H new ATOM 0 HB2 LEU A 5 12.720 5.873 -6.195 1.00 74.41 H new ATOM 0 HB3 LEU A 5 11.232 5.952 -5.273 1.00 74.41 H new ATOM 0 HG LEU A 5 11.027 4.899 -8.053 1.00 35.32 H new ATOM 0 HD11 LEU A 5 11.756 2.656 -7.339 1.00 44.53 H new ATOM 0 HD12 LEU A 5 13.086 3.836 -7.268 1.00 44.53 H new ATOM 0 HD13 LEU A 5 12.268 3.326 -5.772 1.00 44.53 H new ATOM 0 HD21 LEU A 5 9.427 3.375 -6.960 1.00 53.45 H new ATOM 0 HD22 LEU A 5 9.849 4.072 -5.379 1.00 53.45 H new ATOM 0 HD23 LEU A 5 9.056 5.080 -6.613 1.00 53.45 H new ATOM 135 N GLY A 6 13.081 6.820 -8.530 1.00 54.14 N ATOM 136 CA GLY A 6 14.212 7.167 -9.371 1.00 54.11 C ATOM 137 C GLY A 6 14.022 6.727 -10.809 1.00 11.34 C ATOM 138 O GLY A 6 14.849 7.025 -11.672 1.00 15.13 O ATOM 0 H GLY A 6 12.815 5.836 -8.554 1.00 54.14 H new ATOM 0 HA2 GLY A 6 14.365 8.246 -9.342 1.00 54.11 H new ATOM 0 HA3 GLY A 6 15.114 6.706 -8.969 1.00 54.11 H new ATOM 142 N LEU A 7 12.932 6.015 -11.068 1.00 25.54 N ATOM 143 CA LEU A 7 12.636 5.530 -12.412 1.00 2.14 C ATOM 144 C LEU A 7 12.129 6.662 -13.299 1.00 43.34 C ATOM 145 O LEU A 7 11.977 6.496 -14.510 1.00 11.21 O ATOM 146 CB LEU A 7 11.598 4.408 -12.354 1.00 45.41 C ATOM 147 CG LEU A 7 11.858 3.305 -11.327 1.00 32.10 C ATOM 148 CD1 LEU A 7 10.817 2.204 -11.451 1.00 24.14 C ATOM 149 CD2 LEU A 7 13.260 2.739 -11.497 1.00 64.43 C ATOM 0 H LEU A 7 12.238 5.760 -10.365 1.00 25.54 H new ATOM 0 HA LEU A 7 13.558 5.141 -12.843 1.00 2.14 H new ATOM 0 HB2 LEU A 7 10.625 4.851 -12.143 1.00 45.41 H new ATOM 0 HB3 LEU A 7 11.532 3.950 -13.341 1.00 45.41 H new ATOM 0 HG LEU A 7 11.781 3.738 -10.329 1.00 32.10 H new ATOM 0 HD11 LEU A 7 11.018 1.428 -10.712 1.00 24.14 H new ATOM 0 HD12 LEU A 7 9.825 2.621 -11.279 1.00 24.14 H new ATOM 0 HD13 LEU A 7 10.861 1.773 -12.451 1.00 24.14 H new ATOM 0 HD21 LEU A 7 13.428 1.955 -10.758 1.00 64.43 H new ATOM 0 HD22 LEU A 7 13.365 2.322 -12.499 1.00 64.43 H new ATOM 0 HD23 LEU A 7 13.993 3.534 -11.356 1.00 64.43 H new ATOM 160 N LYS A 8 11.870 7.814 -12.690 1.00 62.32 N ATOM 161 CA LYS A 8 11.384 8.977 -13.424 1.00 25.21 C ATOM 162 C LYS A 8 12.541 9.751 -14.045 1.00 53.24 C ATOM 163 O LYS A 8 12.584 9.956 -15.258 1.00 75.42 O ATOM 164 CB LYS A 8 10.582 9.892 -12.497 1.00 23.33 C ATOM 165 CG LYS A 8 9.226 10.286 -13.055 1.00 73.32 C ATOM 166 CD LYS A 8 9.354 10.952 -14.414 1.00 52.23 C ATOM 167 CE LYS A 8 8.752 10.092 -15.516 1.00 73.11 C ATOM 168 NZ LYS A 8 7.303 9.835 -15.289 1.00 21.22 N ATOM 0 H LYS A 8 11.989 7.968 -11.689 1.00 62.32 H new ATOM 0 HA LYS A 8 10.735 8.624 -14.226 1.00 25.21 H new ATOM 0 HB2 LYS A 8 10.440 9.391 -11.540 1.00 23.33 H new ATOM 0 HB3 LYS A 8 11.161 10.794 -12.301 1.00 23.33 H new ATOM 0 HG2 LYS A 8 8.596 9.401 -13.141 1.00 73.32 H new ATOM 0 HG3 LYS A 8 8.730 10.965 -12.362 1.00 73.32 H new ATOM 0 HD2 LYS A 8 8.855 11.921 -14.394 1.00 52.23 H new ATOM 0 HD3 LYS A 8 10.406 11.139 -14.631 1.00 52.23 H new ATOM 0 HE2 LYS A 8 8.887 10.587 -16.478 1.00 73.11 H new ATOM 0 HE3 LYS A 8 9.285 9.143 -15.568 1.00 73.11 H new ATOM 0 HZ1 LYS A 8 7.113 8.816 -15.376 1.00 21.22 H new ATOM 0 HZ2 LYS A 8 7.039 10.156 -14.336 1.00 21.22 H new ATOM 0 HZ3 LYS A 8 6.744 10.353 -15.996 1.00 21.22 H new ATOM 178 N ASN A 9 13.479 10.179 -13.205 1.00 50.43 N ATOM 179 CA ASN A 9 14.638 10.931 -13.673 1.00 71.12 C ATOM 180 C ASN A 9 15.514 11.365 -12.501 1.00 63.33 C ATOM 181 O ASN A 9 16.094 12.449 -12.515 1.00 1.13 O ATOM 182 CB ASN A 9 14.188 12.158 -14.469 1.00 20.04 C ATOM 183 CG ASN A 9 14.667 12.121 -15.908 1.00 22.13 C ATOM 184 OD1 ASN A 9 14.878 11.049 -16.476 1.00 44.11 O ATOM 185 ND2 ASN A 9 14.843 13.294 -16.503 1.00 53.43 N ATOM 0 H ASN A 9 13.459 10.018 -12.198 1.00 50.43 H new ATOM 0 HA ASN A 9 15.225 10.280 -14.321 1.00 71.12 H new ATOM 0 HB2 ASN A 9 13.100 12.219 -14.453 1.00 20.04 H new ATOM 0 HB3 ASN A 9 14.565 13.059 -13.986 1.00 20.04 H new ATOM 0 HD21 ASN A 9 15.166 13.332 -17.470 1.00 53.43 H new ATOM 0 HD22 ASN A 9 14.656 14.158 -15.993 1.00 53.43 H new ATOM 191 N ASN A 10 15.603 10.509 -11.489 1.00 33.43 N ATOM 192 CA ASN A 10 16.408 10.803 -10.308 1.00 11.14 C ATOM 193 C ASN A 10 17.391 9.671 -10.024 1.00 63.34 C ATOM 194 O ASN A 10 18.264 9.371 -10.839 1.00 51.20 O ATOM 195 CB ASN A 10 15.506 11.028 -9.093 1.00 4.53 C ATOM 196 CG ASN A 10 14.598 12.230 -9.262 1.00 25.10 C ATOM 197 OD1 ASN A 10 13.736 12.183 -10.271 1.00 44.21 O flip ATOM 198 ND2 ASN A 10 14.670 13.189 -8.493 1.00 42.31 N flip ATOM 0 H ASN A 10 15.128 9.607 -11.462 1.00 33.43 H new ATOM 0 HA ASN A 10 16.976 11.713 -10.503 1.00 11.14 H new ATOM 0 HB2 ASN A 10 14.899 10.138 -8.925 1.00 4.53 H new ATOM 0 HB3 ASN A 10 16.124 11.165 -8.206 1.00 4.53 H new ATOM 0 HD21 ASN A 10 15.348 13.182 -7.731 1.00 42.31 H new ATOM 0 HD22 ASN A 10 14.052 13.990 -8.618 1.00 42.31 H new ATOM 204 N THR A 11 17.242 9.044 -8.861 1.00 45.00 N ATOM 205 CA THR A 11 18.115 7.944 -8.468 1.00 13.11 C ATOM 206 C THR A 11 17.927 7.592 -6.997 1.00 10.24 C ATOM 207 O THR A 11 18.754 7.943 -6.154 1.00 42.25 O ATOM 208 CB THR A 11 19.596 8.288 -8.717 1.00 14.01 C ATOM 209 OG1 THR A 11 20.436 7.428 -7.939 1.00 73.53 O ATOM 210 CG2 THR A 11 19.882 9.740 -8.363 1.00 42.10 C ATOM 0 H THR A 11 16.525 9.279 -8.175 1.00 45.00 H new ATOM 0 HA THR A 11 17.840 7.086 -9.082 1.00 13.11 H new ATOM 0 HB THR A 11 19.807 8.141 -9.776 1.00 14.01 H new ATOM 0 HG1 THR A 11 20.315 7.626 -6.987 1.00 73.53 H new ATOM 0 HG21 THR A 11 20.934 9.959 -8.547 1.00 42.10 H new ATOM 0 HG22 THR A 11 19.262 10.393 -8.977 1.00 42.10 H new ATOM 0 HG23 THR A 11 19.655 9.909 -7.310 1.00 42.10 H new ATOM 218 N ILE A 12 16.837 6.895 -6.695 1.00 41.13 N ATOM 219 CA ILE A 12 16.542 6.494 -5.326 1.00 11.12 C ATOM 220 C ILE A 12 17.204 5.162 -4.988 1.00 40.54 C ATOM 221 O ILE A 12 17.139 4.198 -5.751 1.00 2.35 O ATOM 222 CB ILE A 12 15.025 6.376 -5.088 1.00 23.04 C ATOM 223 CG1 ILE A 12 14.338 7.715 -5.359 1.00 24.43 C ATOM 224 CG2 ILE A 12 14.747 5.909 -3.667 1.00 72.24 C ATOM 225 CD1 ILE A 12 14.840 8.840 -4.482 1.00 33.43 C ATOM 0 H ILE A 12 16.143 6.596 -7.381 1.00 41.13 H new ATOM 0 HA ILE A 12 16.944 7.272 -4.676 1.00 11.12 H new ATOM 0 HB ILE A 12 14.620 5.636 -5.779 1.00 23.04 H new ATOM 0 HG12 ILE A 12 14.487 7.986 -6.404 1.00 24.43 H new ATOM 0 HG13 ILE A 12 13.264 7.600 -5.210 1.00 24.43 H new ATOM 0 HG21 ILE A 12 13.671 5.830 -3.514 1.00 72.24 H new ATOM 0 HG22 ILE A 12 15.208 4.934 -3.507 1.00 72.24 H new ATOM 0 HG23 ILE A 12 15.163 6.627 -2.960 1.00 72.24 H new ATOM 0 HD11 ILE A 12 14.309 9.759 -4.729 1.00 33.43 H new ATOM 0 HD12 ILE A 12 14.666 8.591 -3.435 1.00 33.43 H new ATOM 0 HD13 ILE A 12 15.908 8.982 -4.648 1.00 33.43 H new ATOM 236 N PRO A 13 17.855 5.105 -3.818 1.00 14.32 N ATOM 237 CA PRO A 13 18.540 3.896 -3.351 1.00 2.25 C ATOM 238 C PRO A 13 17.565 2.786 -2.974 1.00 44.33 C ATOM 239 O PRO A 13 16.368 2.881 -3.246 1.00 31.22 O ATOM 240 CB PRO A 13 19.307 4.376 -2.116 1.00 50.24 C ATOM 241 CG PRO A 13 18.541 5.558 -1.631 1.00 54.33 C ATOM 242 CD PRO A 13 17.974 6.216 -2.858 1.00 45.30 C ATOM 0 HA PRO A 13 19.177 3.465 -4.124 1.00 2.25 H new ATOM 0 HB2 PRO A 13 19.358 3.598 -1.355 1.00 50.24 H new ATOM 0 HB3 PRO A 13 20.333 4.645 -2.367 1.00 50.24 H new ATOM 0 HG2 PRO A 13 17.747 5.255 -0.948 1.00 54.33 H new ATOM 0 HG3 PRO A 13 19.187 6.244 -1.084 1.00 54.33 H new ATOM 0 HD2 PRO A 13 17.007 6.678 -2.656 1.00 45.30 H new ATOM 0 HD3 PRO A 13 18.630 7.002 -3.232 1.00 45.30 H new ATOM 247 N ASP A 14 18.084 1.736 -2.349 1.00 31.40 N ATOM 248 CA ASP A 14 17.259 0.608 -1.933 1.00 63.21 C ATOM 249 C ASP A 14 17.018 0.636 -0.426 1.00 44.31 C ATOM 250 O ASP A 14 17.136 -0.386 0.249 1.00 73.41 O ATOM 251 CB ASP A 14 17.921 -0.711 -2.331 1.00 2.24 C ATOM 252 CG ASP A 14 19.310 -0.863 -1.742 1.00 24.13 C ATOM 253 OD1 ASP A 14 19.706 -0.002 -0.930 1.00 74.42 O ATOM 254 OD2 ASP A 14 20.001 -1.843 -2.094 1.00 55.34 O ATOM 0 H ASP A 14 19.073 1.642 -2.119 1.00 31.40 H new ATOM 0 HA ASP A 14 16.297 0.689 -2.438 1.00 63.21 H new ATOM 0 HB2 ASP A 14 17.297 -1.541 -2.001 1.00 2.24 H new ATOM 0 HB3 ASP A 14 17.982 -0.770 -3.418 1.00 2.24 H new ATOM 258 N SER A 15 16.682 1.813 0.091 1.00 21.42 N ATOM 259 CA SER A 15 16.430 1.976 1.519 1.00 23.32 C ATOM 260 C SER A 15 15.117 2.714 1.758 1.00 53.10 C ATOM 261 O SER A 15 14.966 3.428 2.749 1.00 42.22 O ATOM 262 CB SER A 15 17.583 2.734 2.178 1.00 75.13 C ATOM 263 OG SER A 15 17.911 2.171 3.437 1.00 65.31 O ATOM 0 H SER A 15 16.578 2.667 -0.456 1.00 21.42 H new ATOM 0 HA SER A 15 16.355 0.985 1.966 1.00 23.32 H new ATOM 0 HB2 SER A 15 18.457 2.710 1.527 1.00 75.13 H new ATOM 0 HB3 SER A 15 17.308 3.781 2.305 1.00 75.13 H new ATOM 0 HG SER A 15 18.652 2.673 3.837 1.00 65.31 H new ATOM 268 N GLN A 16 14.170 2.537 0.843 1.00 44.41 N ATOM 269 CA GLN A 16 12.869 3.186 0.953 1.00 53.30 C ATOM 270 C GLN A 16 11.823 2.222 1.501 1.00 25.12 C ATOM 271 O GLN A 16 11.021 2.584 2.360 1.00 24.02 O ATOM 272 CB GLN A 16 12.425 3.720 -0.411 1.00 72.30 C ATOM 273 CG GLN A 16 12.335 2.646 -1.484 1.00 51.10 C ATOM 274 CD GLN A 16 12.045 3.218 -2.857 1.00 51.53 C ATOM 275 OE1 GLN A 16 12.780 2.969 -3.813 1.00 43.24 O ATOM 276 NE2 GLN A 16 10.970 3.989 -2.963 1.00 51.33 N ATOM 0 H GLN A 16 14.279 1.949 0.017 1.00 44.41 H new ATOM 0 HA GLN A 16 12.965 4.020 1.648 1.00 53.30 H new ATOM 0 HB2 GLN A 16 11.452 4.199 -0.305 1.00 72.30 H new ATOM 0 HB3 GLN A 16 13.125 4.489 -0.736 1.00 72.30 H new ATOM 0 HG2 GLN A 16 13.272 2.090 -1.516 1.00 51.10 H new ATOM 0 HG3 GLN A 16 11.552 1.936 -1.217 1.00 51.10 H new ATOM 0 HE21 GLN A 16 10.389 4.169 -2.144 1.00 51.33 H new ATOM 0 HE22 GLN A 16 10.725 4.402 -3.863 1.00 51.33 H new ATOM 283 N MET A 17 11.838 0.992 0.997 1.00 1.31 N ATOM 284 CA MET A 17 10.890 -0.025 1.436 1.00 12.15 C ATOM 285 C MET A 17 11.342 -0.658 2.749 1.00 11.00 C ATOM 286 O MET A 17 12.503 -0.536 3.139 1.00 61.50 O ATOM 287 CB MET A 17 10.734 -1.105 0.363 1.00 30.43 C ATOM 288 CG MET A 17 9.399 -1.052 -0.361 1.00 12.34 C ATOM 289 SD MET A 17 9.267 -2.291 -1.665 1.00 54.21 S ATOM 290 CE MET A 17 8.817 -1.264 -3.063 1.00 33.44 C ATOM 0 H MET A 17 12.496 0.676 0.285 1.00 1.31 H new ATOM 0 HA MET A 17 9.926 0.458 1.598 1.00 12.15 H new ATOM 0 HB2 MET A 17 11.538 -1.001 -0.366 1.00 30.43 H new ATOM 0 HB3 MET A 17 10.849 -2.085 0.826 1.00 30.43 H new ATOM 0 HG2 MET A 17 8.594 -1.200 0.358 1.00 12.34 H new ATOM 0 HG3 MET A 17 9.263 -0.060 -0.792 1.00 12.34 H new ATOM 0 HE1 MET A 17 8.376 -1.884 -3.843 1.00 33.44 H new ATOM 0 HE2 MET A 17 8.094 -0.513 -2.745 1.00 33.44 H new ATOM 0 HE3 MET A 17 9.707 -0.769 -3.452 1.00 33.44 H new ATOM 298 N SER A 18 10.418 -1.332 3.425 1.00 51.20 N ATOM 299 CA SER A 18 10.721 -1.980 4.695 1.00 74.51 C ATOM 300 C SER A 18 9.483 -2.671 5.262 1.00 53.41 C ATOM 301 O SER A 18 8.542 -2.014 5.707 1.00 43.13 O ATOM 302 CB SER A 18 11.252 -0.955 5.700 1.00 30.44 C ATOM 303 OG SER A 18 10.542 0.267 5.606 1.00 31.33 O ATOM 0 H SER A 18 9.453 -1.444 3.114 1.00 51.20 H new ATOM 0 HA SER A 18 11.487 -2.735 4.516 1.00 74.51 H new ATOM 0 HB2 SER A 18 11.164 -1.353 6.711 1.00 30.44 H new ATOM 0 HB3 SER A 18 12.312 -0.778 5.518 1.00 30.44 H new ATOM 0 HG SER A 18 10.786 0.846 6.358 1.00 31.33 H new ATOM 308 N ALA A 19 9.494 -3.999 5.242 1.00 33.20 N ATOM 309 CA ALA A 19 8.375 -4.780 5.755 1.00 71.43 C ATOM 310 C ALA A 19 8.711 -5.399 7.107 1.00 32.24 C ATOM 311 O ALA A 19 9.806 -5.204 7.635 1.00 11.11 O ATOM 312 CB ALA A 19 7.986 -5.861 4.759 1.00 63.31 C ATOM 0 H ALA A 19 10.265 -4.557 4.876 1.00 33.20 H new ATOM 0 HA ALA A 19 7.528 -4.108 5.894 1.00 71.43 H new ATOM 0 HB1 ALA A 19 7.149 -6.437 5.155 1.00 63.31 H new ATOM 0 HB2 ALA A 19 7.695 -5.399 3.816 1.00 63.31 H new ATOM 0 HB3 ALA A 19 8.835 -6.524 4.591 1.00 63.31 H new ATOM 318 N SER A 20 7.762 -6.146 7.663 1.00 35.21 N ATOM 319 CA SER A 20 7.957 -6.789 8.957 1.00 64.51 C ATOM 320 C SER A 20 9.249 -7.601 8.971 1.00 74.10 C ATOM 321 O SER A 20 9.907 -7.723 10.005 1.00 24.00 O ATOM 322 CB SER A 20 6.769 -7.696 9.282 1.00 23.23 C ATOM 323 OG SER A 20 6.375 -7.554 10.636 1.00 44.14 O ATOM 0 H SER A 20 6.851 -6.321 7.238 1.00 35.21 H new ATOM 0 HA SER A 20 8.030 -6.010 9.716 1.00 64.51 H new ATOM 0 HB2 SER A 20 5.931 -7.452 8.629 1.00 23.23 H new ATOM 0 HB3 SER A 20 7.035 -8.734 9.084 1.00 23.23 H new ATOM 0 HG SER A 20 5.770 -6.788 10.722 1.00 44.14 H new ATOM 328 N SER A 21 9.607 -8.152 7.816 1.00 24.53 N ATOM 329 CA SER A 21 10.818 -8.955 7.695 1.00 74.11 C ATOM 330 C SER A 21 10.993 -9.462 6.267 1.00 3.35 C ATOM 331 O SER A 21 12.116 -9.637 5.792 1.00 54.21 O ATOM 332 CB SER A 21 10.771 -10.136 8.665 1.00 32.33 C ATOM 333 OG SER A 21 11.829 -11.046 8.414 1.00 11.43 O ATOM 0 H SER A 21 9.076 -8.057 6.950 1.00 24.53 H new ATOM 0 HA SER A 21 11.670 -8.323 7.945 1.00 74.11 H new ATOM 0 HB2 SER A 21 10.837 -9.771 9.690 1.00 32.33 H new ATOM 0 HB3 SER A 21 9.815 -10.650 8.570 1.00 32.33 H new ATOM 0 HG SER A 21 11.669 -11.878 8.907 1.00 11.43 H new ATOM 338 N SER A 22 9.875 -9.696 5.587 1.00 30.45 N ATOM 339 CA SER A 22 9.904 -10.187 4.215 1.00 55.55 C ATOM 340 C SER A 22 10.452 -11.609 4.157 1.00 33.43 C ATOM 341 O SER A 22 11.043 -12.099 5.120 1.00 74.31 O ATOM 342 CB SER A 22 10.754 -9.265 3.339 1.00 42.32 C ATOM 343 OG SER A 22 12.073 -9.764 3.203 1.00 34.13 O ATOM 0 H SER A 22 8.938 -9.553 5.964 1.00 30.45 H new ATOM 0 HA SER A 22 8.882 -10.195 3.837 1.00 55.55 H new ATOM 0 HB2 SER A 22 10.295 -9.168 2.355 1.00 42.32 H new ATOM 0 HB3 SER A 22 10.783 -8.267 3.777 1.00 42.32 H new ATOM 0 HG SER A 22 12.527 -9.730 4.071 1.00 34.13 H new ATOM 348 N TYR A 23 10.253 -12.268 3.021 1.00 62.22 N ATOM 349 CA TYR A 23 10.725 -13.635 2.838 1.00 63.12 C ATOM 350 C TYR A 23 12.185 -13.769 3.259 1.00 41.14 C ATOM 351 O TYR A 23 12.489 -14.297 4.329 1.00 20.32 O ATOM 352 CB TYR A 23 10.562 -14.061 1.377 1.00 22.41 C ATOM 353 CG TYR A 23 11.256 -15.364 1.046 1.00 53.53 C ATOM 354 CD1 TYR A 23 11.138 -16.468 1.880 1.00 60.10 C ATOM 355 CD2 TYR A 23 12.031 -15.488 -0.101 1.00 63.43 C ATOM 356 CE1 TYR A 23 11.771 -17.659 1.582 1.00 4.20 C ATOM 357 CE2 TYR A 23 12.665 -16.676 -0.408 1.00 2.44 C ATOM 358 CZ TYR A 23 12.533 -17.759 0.436 1.00 72.15 C ATOM 359 OH TYR A 23 13.166 -18.943 0.134 1.00 73.35 O ATOM 0 H TYR A 23 9.768 -11.878 2.213 1.00 62.22 H new ATOM 0 HA TYR A 23 10.123 -14.288 3.470 1.00 63.12 H new ATOM 0 HB2 TYR A 23 9.500 -14.157 1.151 1.00 22.41 H new ATOM 0 HB3 TYR A 23 10.955 -13.275 0.732 1.00 22.41 H new ATOM 0 HD1 TYR A 23 10.541 -16.394 2.777 1.00 60.10 H new ATOM 0 HD2 TYR A 23 12.139 -14.642 -0.763 1.00 63.43 H new ATOM 0 HE1 TYR A 23 11.670 -18.507 2.243 1.00 4.20 H new ATOM 0 HE2 TYR A 23 13.261 -16.757 -1.305 1.00 2.44 H new ATOM 0 HH TYR A 23 13.660 -18.845 -0.707 1.00 73.35 H new ATOM 534 N TYR A 34 16.566 -7.430 1.817 1.00 11.13 N ATOM 535 CA TYR A 34 15.649 -8.385 1.207 1.00 4.32 C ATOM 536 C TYR A 34 14.691 -7.685 0.248 1.00 31.24 C ATOM 537 O TYR A 34 14.568 -8.048 -0.922 1.00 53.33 O ATOM 538 CB TYR A 34 14.858 -9.126 2.286 1.00 75.20 C ATOM 539 CG TYR A 34 15.570 -9.195 3.618 1.00 31.34 C ATOM 540 CD1 TYR A 34 16.822 -9.787 3.729 1.00 24.33 C ATOM 541 CD2 TYR A 34 14.991 -8.670 4.767 1.00 51.15 C ATOM 542 CE1 TYR A 34 17.476 -9.855 4.944 1.00 51.35 C ATOM 543 CE2 TYR A 34 15.638 -8.731 5.985 1.00 23.42 C ATOM 544 CZ TYR A 34 16.880 -9.324 6.069 1.00 21.51 C ATOM 545 OH TYR A 34 17.528 -9.388 7.281 1.00 64.42 O ATOM 0 HA TYR A 34 16.239 -9.105 0.640 1.00 4.32 H new ATOM 0 HB2 TYR A 34 13.896 -8.632 2.423 1.00 75.20 H new ATOM 0 HB3 TYR A 34 14.650 -10.139 1.941 1.00 75.20 H new ATOM 0 HD1 TYR A 34 17.292 -10.201 2.850 1.00 24.33 H new ATOM 0 HD2 TYR A 34 14.018 -8.206 4.706 1.00 51.15 H new ATOM 0 HE1 TYR A 34 18.448 -10.321 5.013 1.00 51.35 H new ATOM 0 HE2 TYR A 34 15.174 -8.316 6.868 1.00 23.42 H new ATOM 0 HH TYR A 34 16.973 -8.968 7.971 1.00 64.42 H new ATOM 554 N PRO A 35 13.996 -6.656 0.754 1.00 35.10 N ATOM 555 CA PRO A 35 13.037 -5.882 -0.039 1.00 14.33 C ATOM 556 C PRO A 35 13.721 -5.025 -1.100 1.00 2.23 C ATOM 557 O PRO A 35 14.895 -5.227 -1.414 1.00 74.30 O ATOM 558 CB PRO A 35 12.349 -4.994 1.002 1.00 4.54 C ATOM 559 CG PRO A 35 13.343 -4.867 2.105 1.00 74.34 C ATOM 560 CD PRO A 35 14.093 -6.169 2.141 1.00 41.14 C ATOM 0 HA PRO A 35 12.351 -6.526 -0.590 1.00 14.33 H new ATOM 0 HB2 PRO A 35 12.093 -4.020 0.585 1.00 4.54 H new ATOM 0 HB3 PRO A 35 11.421 -5.443 1.355 1.00 4.54 H new ATOM 0 HG2 PRO A 35 14.020 -4.032 1.925 1.00 74.34 H new ATOM 0 HG3 PRO A 35 12.847 -4.676 3.057 1.00 74.34 H new ATOM 0 HD2 PRO A 35 15.130 -6.027 2.446 1.00 41.14 H new ATOM 0 HD3 PRO A 35 13.647 -6.871 2.846 1.00 41.14 H new ATOM 565 N HIS A 36 12.980 -4.068 -1.650 1.00 25.40 N ATOM 566 CA HIS A 36 13.516 -3.180 -2.676 1.00 64.42 C ATOM 567 C HIS A 36 13.711 -3.926 -3.992 1.00 25.14 C ATOM 568 O HIS A 36 14.780 -3.862 -4.601 1.00 62.05 O ATOM 569 CB HIS A 36 14.843 -2.578 -2.215 1.00 60.13 C ATOM 570 CG HIS A 36 14.831 -2.122 -0.788 1.00 4.42 C ATOM 571 ND1 HIS A 36 14.209 -0.963 -0.374 1.00 33.23 N ATOM 572 CD2 HIS A 36 15.367 -2.677 0.323 1.00 1.44 C ATOM 573 CE1 HIS A 36 14.365 -0.824 0.930 1.00 12.13 C ATOM 574 NE2 HIS A 36 15.064 -1.852 1.378 1.00 11.15 N ATOM 0 H HIS A 36 12.007 -3.888 -1.403 1.00 25.40 H new ATOM 0 HA HIS A 36 12.798 -2.376 -2.838 1.00 64.42 H new ATOM 0 HB2 HIS A 36 15.633 -3.318 -2.345 1.00 60.13 H new ATOM 0 HB3 HIS A 36 15.091 -1.732 -2.856 1.00 60.13 H new ATOM 0 HD2 HIS A 36 15.929 -3.598 0.371 1.00 1.44 H new ATOM 0 HE1 HIS A 36 13.986 -0.009 1.528 1.00 12.13 H new ATOM 0 HE2 HIS A 36 15.334 -2.007 2.349 1.00 11.15 H new ATOM 581 N LEU A 37 12.674 -4.636 -4.425 1.00 14.31 N ATOM 582 CA LEU A 37 12.733 -5.395 -5.669 1.00 22.13 C ATOM 583 C LEU A 37 11.874 -4.741 -6.746 1.00 1.32 C ATOM 584 O LEU A 37 12.091 -4.951 -7.939 1.00 44.04 O ATOM 585 CB LEU A 37 12.269 -6.834 -5.434 1.00 72.54 C ATOM 586 CG LEU A 37 13.025 -7.615 -4.358 1.00 45.20 C ATOM 587 CD1 LEU A 37 14.458 -7.121 -4.248 1.00 70.01 C ATOM 588 CD2 LEU A 37 12.314 -7.503 -3.017 1.00 3.41 C ATOM 0 H LEU A 37 11.783 -4.702 -3.933 1.00 14.31 H new ATOM 0 HA LEU A 37 13.768 -5.405 -6.012 1.00 22.13 H new ATOM 0 HB2 LEU A 37 11.213 -6.815 -5.166 1.00 72.54 H new ATOM 0 HB3 LEU A 37 12.350 -7.379 -6.375 1.00 72.54 H new ATOM 0 HG LEU A 37 13.046 -8.666 -4.647 1.00 45.20 H new ATOM 0 HD11 LEU A 37 14.980 -7.688 -3.478 1.00 70.01 H new ATOM 0 HD12 LEU A 37 14.964 -7.256 -5.204 1.00 70.01 H new ATOM 0 HD13 LEU A 37 14.459 -6.064 -3.983 1.00 70.01 H new ATOM 0 HD21 LEU A 37 12.867 -8.065 -2.264 1.00 3.41 H new ATOM 0 HD22 LEU A 37 12.260 -6.456 -2.720 1.00 3.41 H new ATOM 0 HD23 LEU A 37 11.306 -7.908 -3.105 1.00 3.41 H new ATOM 599 N GLY A 38 10.899 -3.945 -6.318 1.00 21.34 N ATOM 600 CA GLY A 38 10.024 -3.271 -7.259 1.00 31.21 C ATOM 601 C GLY A 38 10.791 -2.529 -8.335 1.00 61.22 C ATOM 602 O GLY A 38 10.277 -2.305 -9.430 1.00 41.21 O ATOM 0 H GLY A 38 10.700 -3.755 -5.336 1.00 21.34 H new ATOM 0 HA2 GLY A 38 9.365 -4.003 -7.726 1.00 31.21 H new ATOM 0 HA3 GLY A 38 9.388 -2.568 -6.720 1.00 31.21 H new ATOM 606 N ARG A 39 12.024 -2.145 -8.022 1.00 54.32 N ATOM 607 CA ARG A 39 12.863 -1.421 -8.970 1.00 40.21 C ATOM 608 C ARG A 39 12.897 -2.133 -10.319 1.00 33.14 C ATOM 609 O ARG A 39 12.673 -3.342 -10.401 1.00 52.13 O ATOM 610 CB ARG A 39 14.283 -1.276 -8.420 1.00 4.13 C ATOM 611 CG ARG A 39 15.051 -2.587 -8.365 1.00 12.12 C ATOM 612 CD ARG A 39 16.449 -2.390 -7.801 1.00 11.51 C ATOM 613 NE ARG A 39 16.497 -2.624 -6.361 1.00 13.04 N ATOM 614 CZ ARG A 39 17.615 -2.897 -5.697 1.00 63.51 C ATOM 615 NH1 ARG A 39 18.772 -2.970 -6.341 1.00 41.04 N ATOM 616 NH2 ARG A 39 17.577 -3.098 -4.386 1.00 41.44 N ATOM 0 H ARG A 39 12.464 -2.323 -7.119 1.00 54.32 H new ATOM 0 HA ARG A 39 12.434 -0.429 -9.113 1.00 40.21 H new ATOM 0 HB2 ARG A 39 14.833 -0.568 -9.040 1.00 4.13 H new ATOM 0 HB3 ARG A 39 14.234 -0.851 -7.417 1.00 4.13 H new ATOM 0 HG2 ARG A 39 14.507 -3.303 -7.749 1.00 12.12 H new ATOM 0 HG3 ARG A 39 15.118 -3.013 -9.366 1.00 12.12 H new ATOM 0 HD2 ARG A 39 17.140 -3.068 -8.301 1.00 11.51 H new ATOM 0 HD3 ARG A 39 16.786 -1.376 -8.015 1.00 11.51 H new ATOM 0 HE ARG A 39 15.624 -2.575 -5.836 1.00 13.04 H new ATOM 0 HH11 ARG A 39 18.805 -2.816 -7.349 1.00 41.04 H new ATOM 0 HH12 ARG A 39 19.629 -3.180 -5.828 1.00 41.04 H new ATOM 0 HH21 ARG A 39 16.689 -3.043 -3.887 1.00 41.44 H new ATOM 0 HH22 ARG A 39 18.436 -3.308 -3.877 1.00 41.44 H new ATOM 627 N LEU A 40 13.181 -1.377 -11.374 1.00 33.20 N ATOM 628 CA LEU A 40 13.245 -1.936 -12.721 1.00 72.42 C ATOM 629 C LEU A 40 14.568 -2.659 -12.947 1.00 4.13 C ATOM 630 O LEU A 40 14.796 -3.239 -14.009 1.00 64.21 O ATOM 631 CB LEU A 40 13.072 -0.828 -13.762 1.00 63.53 C ATOM 632 CG LEU A 40 14.315 0.005 -14.068 1.00 12.45 C ATOM 633 CD1 LEU A 40 15.092 -0.601 -15.226 1.00 11.51 C ATOM 634 CD2 LEU A 40 13.930 1.445 -14.379 1.00 71.31 C ATOM 0 H LEU A 40 13.371 -0.376 -11.323 1.00 33.20 H new ATOM 0 HA LEU A 40 12.435 -2.657 -12.828 1.00 72.42 H new ATOM 0 HB2 LEU A 40 12.725 -1.281 -14.691 1.00 63.53 H new ATOM 0 HB3 LEU A 40 12.284 -0.156 -13.421 1.00 63.53 H new ATOM 0 HG LEU A 40 14.955 0.003 -13.186 1.00 12.45 H new ATOM 0 HD11 LEU A 40 15.974 0.006 -15.430 1.00 11.51 H new ATOM 0 HD12 LEU A 40 15.400 -1.614 -14.967 1.00 11.51 H new ATOM 0 HD13 LEU A 40 14.459 -0.630 -16.113 1.00 11.51 H new ATOM 0 HD21 LEU A 40 14.828 2.023 -14.594 1.00 71.31 H new ATOM 0 HD22 LEU A 40 13.269 1.466 -15.245 1.00 71.31 H new ATOM 0 HD23 LEU A 40 13.417 1.878 -13.520 1.00 71.31 H new ATOM 645 N ASP A 41 15.436 -2.624 -11.942 1.00 52.34 N ATOM 646 CA ASP A 41 16.736 -3.278 -12.030 1.00 63.12 C ATOM 647 C ASP A 41 16.898 -4.313 -10.921 1.00 2.54 C ATOM 648 O ASP A 41 17.826 -4.236 -10.117 1.00 55.33 O ATOM 649 CB ASP A 41 17.859 -2.244 -11.948 1.00 13.02 C ATOM 650 CG ASP A 41 19.154 -2.746 -12.555 1.00 22.14 C ATOM 651 OD1 ASP A 41 19.093 -3.460 -13.578 1.00 44.43 O ATOM 652 OD2 ASP A 41 20.230 -2.426 -12.008 1.00 75.41 O ATOM 0 H ASP A 41 15.262 -2.149 -11.056 1.00 52.34 H new ATOM 0 HA ASP A 41 16.794 -3.788 -12.991 1.00 63.12 H new ATOM 0 HB2 ASP A 41 17.549 -1.334 -12.462 1.00 13.02 H new ATOM 0 HB3 ASP A 41 18.029 -1.979 -10.905 1.00 13.02 H new ATOM 656 N ASN A 42 15.989 -5.282 -10.884 1.00 4.43 N ATOM 657 CA ASN A 42 16.031 -6.333 -9.874 1.00 54.30 C ATOM 658 C ASN A 42 17.439 -6.908 -9.745 1.00 25.22 C ATOM 659 O ASN A 42 18.208 -6.911 -10.706 1.00 55.22 O ATOM 660 CB ASN A 42 15.042 -7.446 -10.224 1.00 14.14 C ATOM 661 CG ASN A 42 14.958 -7.696 -11.717 1.00 42.02 C ATOM 662 OD1 ASN A 42 14.149 -6.897 -12.405 1.00 74.54 O flip ATOM 663 ND2 ASN A 42 15.611 -8.596 -12.246 1.00 31.24 N flip ATOM 0 H ASN A 42 15.214 -5.361 -11.542 1.00 4.43 H new ATOM 0 HA ASN A 42 15.749 -5.894 -8.917 1.00 54.30 H new ATOM 0 HB2 ASN A 42 15.341 -8.365 -9.721 1.00 14.14 H new ATOM 0 HB3 ASN A 42 14.054 -7.183 -9.846 1.00 14.14 H new ATOM 0 HD21 ASN A 42 16.220 -9.186 -11.678 1.00 31.24 H new ATOM 0 HD22 ASN A 42 15.543 -8.752 -13.252 1.00 31.24 H new ATOM 669 N GLN A 43 17.766 -7.396 -8.553 1.00 33.24 N ATOM 670 CA GLN A 43 19.081 -7.974 -8.300 1.00 74.14 C ATOM 671 C GLN A 43 19.121 -9.439 -8.721 1.00 22.33 C ATOM 672 O GLN A 43 20.151 -9.937 -9.174 1.00 71.32 O ATOM 673 CB GLN A 43 19.440 -7.847 -6.818 1.00 43.31 C ATOM 674 CG GLN A 43 18.383 -8.414 -5.884 1.00 45.23 C ATOM 675 CD GLN A 43 18.856 -8.495 -4.447 1.00 51.21 C ATOM 676 OE1 GLN A 43 19.706 -7.715 -4.016 1.00 55.44 O ATOM 677 NE2 GLN A 43 18.307 -9.441 -3.694 1.00 12.53 N ATOM 0 H GLN A 43 17.140 -7.403 -7.748 1.00 33.24 H new ATOM 0 HA GLN A 43 19.812 -7.424 -8.892 1.00 74.14 H new ATOM 0 HB2 GLN A 43 20.385 -8.359 -6.637 1.00 43.31 H new ATOM 0 HB3 GLN A 43 19.597 -6.795 -6.580 1.00 43.31 H new ATOM 0 HG2 GLN A 43 17.489 -7.792 -5.934 1.00 45.23 H new ATOM 0 HG3 GLN A 43 18.098 -9.409 -6.225 1.00 45.23 H new ATOM 0 HE21 GLN A 43 17.606 -10.066 -4.091 1.00 12.53 H new ATOM 0 HE22 GLN A 43 18.586 -9.542 -2.718 1.00 12.53 H new ATOM 684 N GLY A 44 17.992 -10.125 -8.568 1.00 43.10 N ATOM 685 CA GLY A 44 17.920 -11.527 -8.937 1.00 11.23 C ATOM 686 C GLY A 44 16.908 -11.786 -10.034 1.00 5.22 C ATOM 687 O GLY A 44 17.274 -12.138 -11.157 1.00 71.03 O ATOM 0 H GLY A 44 17.126 -9.735 -8.195 1.00 43.10 H new ATOM 0 HA2 GLY A 44 18.903 -11.864 -9.267 1.00 11.23 H new ATOM 0 HA3 GLY A 44 17.659 -12.118 -8.059 1.00 11.23 H new ATOM 691 N LYS A 45 15.631 -11.615 -9.712 1.00 71.00 N ATOM 692 CA LYS A 45 14.561 -11.834 -10.678 1.00 73.22 C ATOM 693 C LYS A 45 13.193 -11.650 -10.027 1.00 22.24 C ATOM 694 O LYS A 45 12.210 -11.345 -10.702 1.00 34.22 O ATOM 695 CB LYS A 45 14.667 -13.237 -11.279 1.00 3.21 C ATOM 696 CG LYS A 45 14.899 -14.325 -10.245 1.00 25.35 C ATOM 697 CD LYS A 45 13.618 -14.678 -9.508 1.00 42.52 C ATOM 698 CE LYS A 45 13.462 -16.182 -9.349 1.00 10.41 C ATOM 699 NZ LYS A 45 14.620 -16.787 -8.635 1.00 35.21 N ATOM 0 H LYS A 45 15.311 -11.325 -8.788 1.00 71.00 H new ATOM 0 HA LYS A 45 14.668 -11.096 -11.473 1.00 73.22 H new ATOM 0 HB2 LYS A 45 13.752 -13.458 -11.828 1.00 3.21 H new ATOM 0 HB3 LYS A 45 15.483 -13.253 -12.001 1.00 3.21 H new ATOM 0 HG2 LYS A 45 15.295 -15.215 -10.735 1.00 25.35 H new ATOM 0 HG3 LYS A 45 15.652 -13.993 -9.530 1.00 25.35 H new ATOM 0 HD2 LYS A 45 13.620 -14.206 -8.526 1.00 42.52 H new ATOM 0 HD3 LYS A 45 12.762 -14.278 -10.052 1.00 42.52 H new ATOM 0 HE2 LYS A 45 12.545 -16.396 -8.800 1.00 10.41 H new ATOM 0 HE3 LYS A 45 13.360 -16.643 -10.332 1.00 10.41 H new ATOM 0 HZ1 LYS A 45 14.390 -17.765 -8.367 1.00 35.21 H new ATOM 0 HZ2 LYS A 45 15.452 -16.786 -9.259 1.00 35.21 H new ATOM 0 HZ3 LYS A 45 14.828 -16.233 -7.780 1.00 35.21 H new ATOM 709 N ILE A 46 13.140 -11.837 -8.712 1.00 62.45 N ATOM 710 CA ILE A 46 11.894 -11.689 -7.970 1.00 45.00 C ATOM 711 C ILE A 46 11.143 -10.434 -8.402 1.00 75.31 C ATOM 712 O ILE A 46 9.915 -10.428 -8.478 1.00 1.12 O ATOM 713 CB ILE A 46 12.145 -11.628 -6.453 1.00 32.23 C ATOM 714 CG1 ILE A 46 13.023 -12.802 -6.011 1.00 53.44 C ATOM 715 CG2 ILE A 46 10.826 -11.633 -5.696 1.00 33.33 C ATOM 716 CD1 ILE A 46 14.464 -12.418 -5.761 1.00 75.30 C ATOM 0 H ILE A 46 13.945 -12.091 -8.139 1.00 62.45 H new ATOM 0 HA ILE A 46 11.288 -12.567 -8.193 1.00 45.00 H new ATOM 0 HB ILE A 46 12.669 -10.700 -6.224 1.00 32.23 H new ATOM 0 HG12 ILE A 46 12.607 -13.233 -5.100 1.00 53.44 H new ATOM 0 HG13 ILE A 46 12.990 -13.578 -6.776 1.00 53.44 H new ATOM 0 HG21 ILE A 46 11.021 -11.590 -4.625 1.00 33.33 H new ATOM 0 HG22 ILE A 46 10.233 -10.768 -5.992 1.00 33.33 H new ATOM 0 HG23 ILE A 46 10.277 -12.546 -5.928 1.00 33.33 H new ATOM 0 HD11 ILE A 46 15.027 -13.299 -5.451 1.00 75.30 H new ATOM 0 HD12 ILE A 46 14.897 -12.014 -6.676 1.00 75.30 H new ATOM 0 HD13 ILE A 46 14.509 -11.664 -4.975 1.00 75.30 H new ATOM 727 N ASN A 47 11.890 -9.372 -8.682 1.00 13.42 N ATOM 728 CA ASN A 47 11.296 -8.109 -9.107 1.00 71.20 C ATOM 729 C ASN A 47 10.064 -7.779 -8.269 1.00 2.12 C ATOM 730 O ASN A 47 9.098 -7.203 -8.768 1.00 3.45 O ATOM 731 CB ASN A 47 10.918 -8.172 -10.588 1.00 30.24 C ATOM 732 CG ASN A 47 9.817 -9.177 -10.861 1.00 62.33 C ATOM 733 OD1 ASN A 47 8.731 -9.098 -10.286 1.00 35.35 O ATOM 734 ND2 ASN A 47 10.090 -10.131 -11.744 1.00 13.24 N ATOM 0 H ASN A 47 12.908 -9.360 -8.622 1.00 13.42 H new ATOM 0 HA ASN A 47 12.035 -7.321 -8.961 1.00 71.20 H new ATOM 0 HB2 ASN A 47 10.596 -7.185 -10.920 1.00 30.24 H new ATOM 0 HB3 ASN A 47 11.799 -8.434 -11.174 1.00 30.24 H new ATOM 0 HD21 ASN A 47 9.387 -10.835 -11.968 1.00 13.24 H new ATOM 0 HD22 ASN A 47 11.003 -10.160 -12.198 1.00 13.24 H new ATOM 740 N ALA A 48 10.106 -8.150 -6.994 1.00 53.42 N ATOM 741 CA ALA A 48 8.995 -7.891 -6.086 1.00 41.35 C ATOM 742 C ALA A 48 9.333 -8.330 -4.666 1.00 73.12 C ATOM 743 O ALA A 48 10.085 -9.281 -4.463 1.00 24.55 O ATOM 744 CB ALA A 48 7.739 -8.598 -6.575 1.00 71.23 C ATOM 0 H ALA A 48 10.897 -8.631 -6.566 1.00 53.42 H new ATOM 0 HA ALA A 48 8.812 -6.817 -6.072 1.00 41.35 H new ATOM 0 HB1 ALA A 48 6.917 -8.396 -5.888 1.00 71.23 H new ATOM 0 HB2 ALA A 48 7.479 -8.233 -7.569 1.00 71.23 H new ATOM 0 HB3 ALA A 48 7.920 -9.672 -6.619 1.00 71.23 H new ATOM 750 N TRP A 49 8.772 -7.629 -3.686 1.00 54.34 N ATOM 751 CA TRP A 49 9.015 -7.947 -2.284 1.00 10.34 C ATOM 752 C TRP A 49 8.020 -8.987 -1.782 1.00 34.35 C ATOM 753 O TRP A 49 6.820 -8.891 -2.041 1.00 11.12 O ATOM 754 CB TRP A 49 8.924 -6.681 -1.430 1.00 24.31 C ATOM 755 CG TRP A 49 8.505 -6.948 -0.016 1.00 73.43 C ATOM 756 CD1 TRP A 49 9.325 -7.150 1.057 1.00 75.34 C ATOM 757 CD2 TRP A 49 7.164 -7.044 0.477 1.00 22.11 C ATOM 758 NE1 TRP A 49 8.574 -7.365 2.189 1.00 5.52 N ATOM 759 CE2 TRP A 49 7.245 -7.305 1.859 1.00 12.55 C ATOM 760 CE3 TRP A 49 5.902 -6.934 -0.113 1.00 11.32 C ATOM 761 CZ2 TRP A 49 6.114 -7.457 2.657 1.00 4.55 C ATOM 762 CZ3 TRP A 49 4.780 -7.086 0.679 1.00 3.24 C ATOM 763 CH2 TRP A 49 4.892 -7.345 2.051 1.00 14.11 C ATOM 0 H TRP A 49 8.146 -6.838 -3.837 1.00 54.34 H new ATOM 0 HA TRP A 49 10.019 -8.362 -2.199 1.00 10.34 H new ATOM 0 HB2 TRP A 49 9.894 -6.183 -1.426 1.00 24.31 H new ATOM 0 HB3 TRP A 49 8.214 -5.992 -1.888 1.00 24.31 H new ATOM 0 HD1 TRP A 49 10.404 -7.142 1.022 1.00 75.34 H new ATOM 0 HE1 TRP A 49 8.946 -7.541 3.123 1.00 5.52 H new ATOM 0 HE3 TRP A 49 5.805 -6.734 -1.170 1.00 11.32 H new ATOM 0 HZ2 TRP A 49 6.198 -7.656 3.715 1.00 4.55 H new ATOM 0 HZ3 TRP A 49 3.800 -7.004 0.233 1.00 3.24 H new ATOM 0 HH2 TRP A 49 3.996 -7.459 2.643 1.00 14.11 H new ATOM 773 N THR A 50 8.526 -9.983 -1.060 1.00 41.21 N ATOM 774 CA THR A 50 7.682 -11.042 -0.521 1.00 40.42 C ATOM 775 C THR A 50 7.579 -10.945 0.996 1.00 75.53 C ATOM 776 O THR A 50 8.370 -10.256 1.639 1.00 42.41 O ATOM 777 CB THR A 50 8.218 -12.435 -0.900 1.00 11.15 C ATOM 778 OG1 THR A 50 8.985 -12.354 -2.107 1.00 71.23 O ATOM 779 CG2 THR A 50 7.076 -13.423 -1.084 1.00 25.13 C ATOM 0 H THR A 50 9.516 -10.078 -0.835 1.00 41.21 H new ATOM 0 HA THR A 50 6.692 -10.910 -0.958 1.00 40.42 H new ATOM 0 HB THR A 50 8.855 -12.787 -0.089 1.00 11.15 H new ATOM 0 HG1 THR A 50 9.323 -13.244 -2.340 1.00 71.23 H new ATOM 0 HG21 THR A 50 7.479 -14.400 -1.351 1.00 25.13 H new ATOM 0 HG22 THR A 50 6.513 -13.505 -0.155 1.00 25.13 H new ATOM 0 HG23 THR A 50 6.417 -13.073 -1.878 1.00 25.13 H new ATOM 787 N ALA A 51 6.598 -11.640 1.564 1.00 2.01 N ATOM 788 CA ALA A 51 6.393 -11.634 3.007 1.00 1.14 C ATOM 789 C ALA A 51 7.270 -12.677 3.690 1.00 12.14 C ATOM 790 O ALA A 51 7.836 -13.551 3.033 1.00 13.25 O ATOM 791 CB ALA A 51 4.928 -11.879 3.333 1.00 50.15 C ATOM 0 H ALA A 51 5.933 -12.214 1.046 1.00 2.01 H new ATOM 0 HA ALA A 51 6.679 -10.653 3.385 1.00 1.14 H new ATOM 0 HB1 ALA A 51 4.790 -11.872 4.414 1.00 50.15 H new ATOM 0 HB2 ALA A 51 4.319 -11.094 2.884 1.00 50.15 H new ATOM 0 HB3 ALA A 51 4.624 -12.847 2.935 1.00 50.15 H new ATOM 797 N GLN A 52 7.378 -12.579 5.011 1.00 22.23 N ATOM 798 CA GLN A 52 8.188 -13.515 5.782 1.00 2.23 C ATOM 799 C GLN A 52 7.329 -14.640 6.350 1.00 51.31 C ATOM 800 O GLN A 52 7.572 -15.817 6.081 1.00 35.23 O ATOM 801 CB GLN A 52 8.908 -12.785 6.918 1.00 41.10 C ATOM 802 CG GLN A 52 10.089 -13.555 7.486 1.00 63.13 C ATOM 803 CD GLN A 52 9.950 -13.824 8.971 1.00 71.30 C ATOM 804 OE1 GLN A 52 10.459 -13.068 9.800 1.00 4.03 O ATOM 805 NE2 GLN A 52 9.257 -14.903 9.316 1.00 4.24 N ATOM 0 H GLN A 52 6.915 -11.862 5.569 1.00 22.23 H new ATOM 0 HA GLN A 52 8.929 -13.951 5.112 1.00 2.23 H new ATOM 0 HB2 GLN A 52 9.257 -11.819 6.554 1.00 41.10 H new ATOM 0 HB3 GLN A 52 8.196 -12.586 7.719 1.00 41.10 H new ATOM 0 HG2 GLN A 52 10.188 -14.503 6.957 1.00 63.13 H new ATOM 0 HG3 GLN A 52 11.005 -12.992 7.307 1.00 63.13 H new ATOM 0 HE21 GLN A 52 8.853 -15.501 8.596 1.00 4.24 H new ATOM 0 HE22 GLN A 52 9.129 -15.133 10.301 1.00 4.24 H new ATOM 812 N SER A 53 6.323 -14.271 7.136 1.00 52.34 N ATOM 813 CA SER A 53 5.429 -15.249 7.745 1.00 13.53 C ATOM 814 C SER A 53 4.286 -15.604 6.798 1.00 74.30 C ATOM 815 O SER A 53 3.599 -16.606 6.987 1.00 53.24 O ATOM 816 CB SER A 53 4.868 -14.709 9.062 1.00 14.40 C ATOM 817 OG SER A 53 5.752 -14.970 10.137 1.00 35.43 O ATOM 0 H SER A 53 6.106 -13.301 7.366 1.00 52.34 H new ATOM 0 HA SER A 53 6.003 -16.153 7.948 1.00 13.53 H new ATOM 0 HB2 SER A 53 4.701 -13.635 8.977 1.00 14.40 H new ATOM 0 HB3 SER A 53 3.900 -15.167 9.264 1.00 14.40 H new ATOM 0 HG SER A 53 5.372 -14.614 10.967 1.00 35.43 H new ATOM 822 N ASN A 54 4.090 -14.772 5.781 1.00 61.31 N ATOM 823 CA ASN A 54 3.030 -14.996 4.804 1.00 73.45 C ATOM 824 C ASN A 54 1.751 -15.471 5.489 1.00 74.24 C ATOM 825 O ASN A 54 1.185 -16.500 5.124 1.00 24.34 O ATOM 826 CB ASN A 54 3.475 -16.023 3.763 1.00 64.40 C ATOM 827 CG ASN A 54 3.878 -17.345 4.390 1.00 10.02 C ATOM 828 OD1 ASN A 54 5.161 -17.483 4.704 1.00 70.22 O flip ATOM 829 ND2 ASN A 54 3.046 -18.230 4.589 1.00 73.01 N flip ATOM 0 H ASN A 54 4.651 -13.937 5.611 1.00 61.31 H new ATOM 0 HA ASN A 54 2.825 -14.049 4.305 1.00 73.45 H new ATOM 0 HB2 ASN A 54 2.665 -16.192 3.054 1.00 64.40 H new ATOM 0 HB3 ASN A 54 4.315 -15.622 3.197 1.00 64.40 H new ATOM 0 HD21 ASN A 54 2.070 -18.080 4.332 1.00 73.01 H new ATOM 0 HD22 ASN A 54 3.332 -19.113 5.011 1.00 73.01 H new ATOM 835 N SER A 55 1.302 -14.711 6.484 1.00 62.03 N ATOM 836 CA SER A 55 0.092 -15.057 7.222 1.00 54.35 C ATOM 837 C SER A 55 -0.832 -13.848 7.343 1.00 34.40 C ATOM 838 O SER A 55 -1.642 -13.764 8.266 1.00 34.11 O ATOM 839 CB SER A 55 0.451 -15.580 8.614 1.00 23.12 C ATOM 840 OG SER A 55 0.954 -16.904 8.546 1.00 61.23 O ATOM 0 H SER A 55 1.757 -13.853 6.797 1.00 62.03 H new ATOM 0 HA SER A 55 -0.430 -15.840 6.672 1.00 54.35 H new ATOM 0 HB2 SER A 55 1.195 -14.928 9.071 1.00 23.12 H new ATOM 0 HB3 SER A 55 -0.431 -15.555 9.254 1.00 23.12 H new ATOM 0 HG SER A 55 1.804 -16.906 8.059 1.00 61.23 H new ATOM 845 N ALA A 56 -0.705 -12.916 6.405 1.00 11.23 N ATOM 846 CA ALA A 56 -1.529 -11.714 6.405 1.00 33.44 C ATOM 847 C ALA A 56 -1.035 -10.710 7.442 1.00 60.32 C ATOM 848 O ALA A 56 -0.872 -9.527 7.147 1.00 13.40 O ATOM 849 CB ALA A 56 -2.985 -12.072 6.666 1.00 11.14 C ATOM 0 H ALA A 56 -0.039 -12.970 5.635 1.00 11.23 H new ATOM 0 HA ALA A 56 -1.451 -11.250 5.422 1.00 33.44 H new ATOM 0 HB1 ALA A 56 -3.589 -11.165 6.663 1.00 11.14 H new ATOM 0 HB2 ALA A 56 -3.339 -12.746 5.886 1.00 11.14 H new ATOM 0 HB3 ALA A 56 -3.071 -12.562 7.636 1.00 11.14 H new ATOM 855 N LYS A 57 -0.801 -11.190 8.659 1.00 10.15 N ATOM 856 CA LYS A 57 -0.324 -10.335 9.740 1.00 64.24 C ATOM 857 C LYS A 57 0.816 -9.441 9.265 1.00 33.21 C ATOM 858 O LYS A 57 0.970 -8.315 9.737 1.00 72.24 O ATOM 859 CB LYS A 57 0.139 -11.187 10.924 1.00 42.11 C ATOM 860 CG LYS A 57 1.371 -12.023 10.625 1.00 35.45 C ATOM 861 CD LYS A 57 1.259 -13.415 11.225 1.00 32.30 C ATOM 862 CE LYS A 57 1.284 -13.371 12.745 1.00 32.31 C ATOM 863 NZ LYS A 57 1.632 -14.694 13.334 1.00 64.25 N ATOM 0 H LYS A 57 -0.934 -12.167 8.921 1.00 10.15 H new ATOM 0 HA LYS A 57 -1.150 -9.699 10.059 1.00 64.24 H new ATOM 0 HB2 LYS A 57 0.350 -10.534 11.771 1.00 42.11 H new ATOM 0 HB3 LYS A 57 -0.674 -11.848 11.226 1.00 42.11 H new ATOM 0 HG2 LYS A 57 1.506 -12.101 9.546 1.00 35.45 H new ATOM 0 HG3 LYS A 57 2.255 -11.525 11.022 1.00 35.45 H new ATOM 0 HD2 LYS A 57 0.334 -13.884 10.889 1.00 32.30 H new ATOM 0 HD3 LYS A 57 2.080 -14.035 10.864 1.00 32.30 H new ATOM 0 HE2 LYS A 57 2.008 -12.625 13.075 1.00 32.31 H new ATOM 0 HE3 LYS A 57 0.309 -13.054 13.115 1.00 32.31 H new ATOM 0 HZ1 LYS A 57 1.638 -14.621 14.371 1.00 64.25 H new ATOM 0 HZ2 LYS A 57 0.928 -15.401 13.041 1.00 64.25 H new ATOM 0 HZ3 LYS A 57 2.573 -14.985 13.002 1.00 64.25 H new ATOM 873 N GLU A 58 1.611 -9.950 8.330 1.00 62.13 N ATOM 874 CA GLU A 58 2.737 -9.196 7.792 1.00 41.02 C ATOM 875 C GLU A 58 2.292 -7.812 7.326 1.00 33.15 C ATOM 876 O GLU A 58 1.098 -7.531 7.237 1.00 64.34 O ATOM 877 CB GLU A 58 3.380 -9.955 6.630 1.00 41.25 C ATOM 878 CG GLU A 58 2.518 -9.998 5.379 1.00 74.55 C ATOM 879 CD GLU A 58 1.782 -11.314 5.223 1.00 1.45 C ATOM 880 OE1 GLU A 58 2.305 -12.346 5.697 1.00 54.41 O ATOM 881 OE2 GLU A 58 0.686 -11.315 4.625 1.00 11.34 O ATOM 0 H GLU A 58 1.496 -10.881 7.929 1.00 62.13 H new ATOM 0 HA GLU A 58 3.472 -9.074 8.587 1.00 41.02 H new ATOM 0 HB2 GLU A 58 4.335 -9.489 6.387 1.00 41.25 H new ATOM 0 HB3 GLU A 58 3.595 -10.975 6.948 1.00 41.25 H new ATOM 0 HG2 GLU A 58 1.795 -9.183 5.412 1.00 74.55 H new ATOM 0 HG3 GLU A 58 3.146 -9.831 4.504 1.00 74.55 H new ATOM 886 N TRP A 59 3.262 -6.954 7.032 1.00 72.33 N ATOM 887 CA TRP A 59 2.971 -5.599 6.575 1.00 33.51 C ATOM 888 C TRP A 59 4.193 -4.973 5.914 1.00 25.20 C ATOM 889 O TRP A 59 5.329 -5.232 6.314 1.00 20.43 O ATOM 890 CB TRP A 59 2.511 -4.732 7.749 1.00 43.10 C ATOM 891 CG TRP A 59 3.465 -4.742 8.905 1.00 51.55 C ATOM 892 CD1 TRP A 59 4.736 -4.242 8.922 1.00 1.23 C ATOM 893 CD2 TRP A 59 3.225 -5.277 10.210 1.00 12.11 C ATOM 894 NE1 TRP A 59 5.301 -4.435 10.160 1.00 45.23 N ATOM 895 CE2 TRP A 59 4.394 -5.068 10.968 1.00 54.23 C ATOM 896 CE3 TRP A 59 2.136 -5.911 10.814 1.00 62.11 C ATOM 897 CZ2 TRP A 59 4.501 -5.471 12.295 1.00 34.42 C ATOM 898 CZ3 TRP A 59 2.245 -6.312 12.132 1.00 41.14 C ATOM 899 CH2 TRP A 59 3.420 -6.090 12.861 1.00 73.41 C ATOM 0 H TRP A 59 4.256 -7.172 7.102 1.00 72.33 H new ATOM 0 HA TRP A 59 2.171 -5.655 5.837 1.00 33.51 H new ATOM 0 HB2 TRP A 59 2.380 -3.706 7.404 1.00 43.10 H new ATOM 0 HB3 TRP A 59 1.536 -5.081 8.089 1.00 43.10 H new ATOM 0 HD1 TRP A 59 5.225 -3.765 8.086 1.00 1.23 H new ATOM 0 HE1 TRP A 59 6.242 -4.153 10.433 1.00 45.23 H new ATOM 0 HE3 TRP A 59 1.225 -6.085 10.260 1.00 62.11 H new ATOM 0 HZ2 TRP A 59 5.406 -5.301 12.859 1.00 34.42 H new ATOM 0 HZ3 TRP A 59 1.410 -6.805 12.608 1.00 41.14 H new ATOM 0 HH2 TRP A 59 3.474 -6.414 13.890 1.00 73.41 H new ATOM 909 N LEU A 60 3.954 -4.150 4.900 1.00 53.23 N ATOM 910 CA LEU A 60 5.037 -3.486 4.182 1.00 71.22 C ATOM 911 C LEU A 60 4.964 -1.973 4.364 1.00 44.40 C ATOM 912 O LEU A 60 3.893 -1.377 4.252 1.00 22.10 O ATOM 913 CB LEU A 60 4.979 -3.836 2.694 1.00 42.04 C ATOM 914 CG LEU A 60 5.789 -2.937 1.760 1.00 13.32 C ATOM 915 CD1 LEU A 60 7.277 -3.064 2.054 1.00 61.14 C ATOM 916 CD2 LEU A 60 5.500 -3.278 0.307 1.00 45.33 C ATOM 0 H LEU A 60 3.020 -3.926 4.556 1.00 53.23 H new ATOM 0 HA LEU A 60 5.983 -3.838 4.595 1.00 71.22 H new ATOM 0 HB2 LEU A 60 5.326 -4.862 2.569 1.00 42.04 H new ATOM 0 HB3 LEU A 60 3.937 -3.811 2.376 1.00 42.04 H new ATOM 0 HG LEU A 60 5.492 -1.903 1.935 1.00 13.32 H new ATOM 0 HD11 LEU A 60 7.838 -2.417 1.379 1.00 61.14 H new ATOM 0 HD12 LEU A 60 7.471 -2.768 3.085 1.00 61.14 H new ATOM 0 HD13 LEU A 60 7.590 -4.098 1.908 1.00 61.14 H new ATOM 0 HD21 LEU A 60 6.086 -2.628 -0.343 1.00 45.33 H new ATOM 0 HD22 LEU A 60 5.768 -4.317 0.117 1.00 45.33 H new ATOM 0 HD23 LEU A 60 4.439 -3.134 0.104 1.00 45.33 H new ATOM 927 N GLN A 61 6.109 -1.359 4.641 1.00 22.54 N ATOM 928 CA GLN A 61 6.175 0.084 4.836 1.00 62.43 C ATOM 929 C GLN A 61 7.140 0.724 3.844 1.00 70.43 C ATOM 930 O GLN A 61 8.176 0.149 3.510 1.00 34.13 O ATOM 931 CB GLN A 61 6.606 0.408 6.267 1.00 35.21 C ATOM 932 CG GLN A 61 6.110 -0.597 7.294 1.00 72.23 C ATOM 933 CD GLN A 61 6.598 -0.287 8.696 1.00 25.23 C ATOM 934 OE1 GLN A 61 6.089 0.617 9.358 1.00 71.44 O ATOM 935 NE2 GLN A 61 7.591 -1.041 9.156 1.00 53.34 N ATOM 0 H GLN A 61 7.004 -1.839 4.736 1.00 22.54 H new ATOM 0 HA GLN A 61 5.180 0.494 4.663 1.00 62.43 H new ATOM 0 HB2 GLN A 61 7.694 0.451 6.309 1.00 35.21 H new ATOM 0 HB3 GLN A 61 6.238 1.399 6.533 1.00 35.21 H new ATOM 0 HG2 GLN A 61 5.020 -0.610 7.287 1.00 72.23 H new ATOM 0 HG3 GLN A 61 6.443 -1.595 7.010 1.00 72.23 H new ATOM 0 HE21 GLN A 61 7.983 -1.780 8.572 1.00 53.34 H new ATOM 0 HE22 GLN A 61 7.961 -0.881 10.093 1.00 53.34 H new ATOM 942 N VAL A 62 6.794 1.919 3.375 1.00 61.41 N ATOM 943 CA VAL A 62 7.629 2.638 2.421 1.00 71.01 C ATOM 944 C VAL A 62 7.913 4.057 2.901 1.00 12.55 C ATOM 945 O VAL A 62 7.085 4.955 2.744 1.00 10.24 O ATOM 946 CB VAL A 62 6.969 2.701 1.031 1.00 62.22 C ATOM 947 CG1 VAL A 62 8.018 2.593 -0.064 1.00 2.22 C ATOM 948 CG2 VAL A 62 5.923 1.605 0.889 1.00 35.20 C ATOM 0 H VAL A 62 5.940 2.410 3.641 1.00 61.41 H new ATOM 0 HA VAL A 62 8.567 2.088 2.344 1.00 71.01 H new ATOM 0 HB VAL A 62 6.470 3.664 0.928 1.00 62.22 H new ATOM 0 HG11 VAL A 62 7.533 2.639 -1.039 1.00 2.22 H new ATOM 0 HG12 VAL A 62 8.726 3.416 0.028 1.00 2.22 H new ATOM 0 HG13 VAL A 62 8.548 1.646 0.032 1.00 2.22 H new ATOM 0 HG21 VAL A 62 5.466 1.664 -0.099 1.00 35.20 H new ATOM 0 HG22 VAL A 62 6.397 0.631 1.012 1.00 35.20 H new ATOM 0 HG23 VAL A 62 5.155 1.734 1.652 1.00 35.20 H new ATOM 958 N ASP A 63 9.090 4.253 3.487 1.00 52.42 N ATOM 959 CA ASP A 63 9.485 5.565 3.988 1.00 24.15 C ATOM 960 C ASP A 63 10.126 6.398 2.882 1.00 31.54 C ATOM 961 O ASP A 63 11.101 5.977 2.259 1.00 10.40 O ATOM 962 CB ASP A 63 10.458 5.414 5.159 1.00 64.50 C ATOM 963 CG ASP A 63 9.842 4.677 6.332 1.00 22.21 C ATOM 964 OD1 ASP A 63 9.897 3.428 6.344 1.00 52.43 O ATOM 965 OD2 ASP A 63 9.306 5.348 7.238 1.00 31.45 O ATOM 0 H ASP A 63 9.786 3.521 3.627 1.00 52.42 H new ATOM 0 HA ASP A 63 8.589 6.081 4.334 1.00 24.15 H new ATOM 0 HB2 ASP A 63 11.346 4.879 4.823 1.00 64.50 H new ATOM 0 HB3 ASP A 63 10.785 6.401 5.485 1.00 64.50 H new ATOM 969 N LEU A 64 9.572 7.581 2.646 1.00 55.23 N ATOM 970 CA LEU A 64 10.088 8.475 1.615 1.00 54.23 C ATOM 971 C LEU A 64 11.168 9.393 2.180 1.00 20.33 C ATOM 972 O LEU A 64 12.289 9.435 1.673 1.00 73.21 O ATOM 973 CB LEU A 64 8.953 9.311 1.021 1.00 11.00 C ATOM 974 CG LEU A 64 8.503 8.927 -0.388 1.00 44.15 C ATOM 975 CD1 LEU A 64 7.339 7.949 -0.329 1.00 14.40 C ATOM 976 CD2 LEU A 64 8.119 10.167 -1.183 1.00 14.31 C ATOM 0 H LEU A 64 8.766 7.944 3.154 1.00 55.23 H new ATOM 0 HA LEU A 64 10.531 7.864 0.829 1.00 54.23 H new ATOM 0 HB2 LEU A 64 8.092 9.244 1.687 1.00 11.00 H new ATOM 0 HB3 LEU A 64 9.266 10.355 1.009 1.00 11.00 H new ATOM 0 HG LEU A 64 9.336 8.439 -0.894 1.00 44.15 H new ATOM 0 HD11 LEU A 64 7.032 7.687 -1.342 1.00 14.40 H new ATOM 0 HD12 LEU A 64 7.647 7.048 0.201 1.00 14.40 H new ATOM 0 HD13 LEU A 64 6.502 8.410 0.196 1.00 14.40 H new ATOM 0 HD21 LEU A 64 7.801 9.874 -2.184 1.00 14.31 H new ATOM 0 HD22 LEU A 64 7.302 10.683 -0.680 1.00 14.31 H new ATOM 0 HD23 LEU A 64 8.979 10.833 -1.256 1.00 14.31 H new ATOM 987 N GLY A 65 10.823 10.125 3.235 1.00 63.02 N ATOM 988 CA GLY A 65 11.775 11.029 3.853 1.00 71.43 C ATOM 989 C GLY A 65 12.019 12.272 3.020 1.00 25.11 C ATOM 990 O GLY A 65 12.850 13.111 3.371 1.00 73.05 O ATOM 0 H GLY A 65 9.902 10.108 3.672 1.00 63.02 H new ATOM 0 HA2 GLY A 65 11.408 11.321 4.837 1.00 71.43 H new ATOM 0 HA3 GLY A 65 12.720 10.507 4.007 1.00 71.43 H new ATOM 994 N THR A 66 11.296 12.390 1.911 1.00 53.34 N ATOM 995 CA THR A 66 11.440 13.538 1.023 1.00 22.34 C ATOM 996 C THR A 66 10.223 14.452 1.104 1.00 35.25 C ATOM 997 O THR A 66 10.264 15.595 0.651 1.00 45.31 O ATOM 998 CB THR A 66 11.638 13.095 -0.439 1.00 52.42 C ATOM 999 OG1 THR A 66 11.947 14.229 -1.257 1.00 32.32 O ATOM 1000 CG2 THR A 66 10.390 12.406 -0.970 1.00 32.30 C ATOM 0 H THR A 66 10.605 11.705 1.606 1.00 53.34 H new ATOM 0 HA THR A 66 12.324 14.084 1.353 1.00 22.34 H new ATOM 0 HB THR A 66 12.466 12.387 -0.472 1.00 52.42 H new ATOM 0 HG1 THR A 66 12.073 13.939 -2.185 1.00 32.32 H new ATOM 0 HG21 THR A 66 10.554 12.102 -2.004 1.00 32.30 H new ATOM 0 HG22 THR A 66 10.174 11.527 -0.363 1.00 32.30 H new ATOM 0 HG23 THR A 66 9.546 13.095 -0.924 1.00 32.30 H new ATOM 1008 N GLN A 67 9.143 13.942 1.687 1.00 22.11 N ATOM 1009 CA GLN A 67 7.914 14.714 1.828 1.00 14.52 C ATOM 1010 C GLN A 67 7.458 15.263 0.480 1.00 11.53 C ATOM 1011 O GLN A 67 7.639 16.445 0.187 1.00 12.11 O ATOM 1012 CB GLN A 67 8.121 15.864 2.816 1.00 72.55 C ATOM 1013 CG GLN A 67 6.840 16.316 3.499 1.00 63.45 C ATOM 1014 CD GLN A 67 7.087 16.902 4.875 1.00 2.35 C ATOM 1015 OE1 GLN A 67 7.985 17.724 5.060 1.00 31.22 O ATOM 1016 NE2 GLN A 67 6.291 16.480 5.850 1.00 32.03 N ATOM 0 H GLN A 67 9.094 12.998 2.069 1.00 22.11 H new ATOM 0 HA GLN A 67 7.139 14.050 2.210 1.00 14.52 H new ATOM 0 HB2 GLN A 67 8.839 15.555 3.576 1.00 72.55 H new ATOM 0 HB3 GLN A 67 8.560 16.711 2.289 1.00 72.55 H new ATOM 0 HG2 GLN A 67 6.343 17.060 2.876 1.00 63.45 H new ATOM 0 HG3 GLN A 67 6.161 15.468 3.586 1.00 63.45 H new ATOM 0 HE21 GLN A 67 5.559 15.798 5.652 1.00 32.03 H new ATOM 0 HE22 GLN A 67 6.411 16.838 6.797 1.00 32.03 H new ATOM 1023 N ARG A 68 6.869 14.396 -0.337 1.00 53.14 N ATOM 1024 CA ARG A 68 6.389 14.794 -1.655 1.00 3.35 C ATOM 1025 C ARG A 68 4.891 14.535 -1.788 1.00 2.51 C ATOM 1026 O ARG A 68 4.325 13.722 -1.060 1.00 21.11 O ATOM 1027 CB ARG A 68 7.148 14.036 -2.748 1.00 74.41 C ATOM 1028 CG ARG A 68 8.501 14.642 -3.080 1.00 55.34 C ATOM 1029 CD ARG A 68 8.357 16.034 -3.677 1.00 33.21 C ATOM 1030 NE ARG A 68 9.549 16.438 -4.417 1.00 51.32 N ATOM 1031 CZ ARG A 68 9.769 17.681 -4.833 1.00 20.25 C ATOM 1032 NH1 ARG A 68 8.884 18.635 -4.580 1.00 11.32 N ATOM 1033 NH2 ARG A 68 10.879 17.971 -5.501 1.00 71.33 N ATOM 0 H ARG A 68 6.713 13.414 -0.110 1.00 53.14 H new ATOM 0 HA ARG A 68 6.568 15.863 -1.772 1.00 3.35 H new ATOM 0 HB2 ARG A 68 7.290 13.003 -2.431 1.00 74.41 H new ATOM 0 HB3 ARG A 68 6.539 14.011 -3.651 1.00 74.41 H new ATOM 0 HG2 ARG A 68 9.109 14.693 -2.177 1.00 55.34 H new ATOM 0 HG3 ARG A 68 9.028 13.996 -3.783 1.00 55.34 H new ATOM 0 HD2 ARG A 68 7.493 16.056 -4.341 1.00 33.21 H new ATOM 0 HD3 ARG A 68 8.164 16.752 -2.880 1.00 33.21 H new ATOM 0 HE ARG A 68 10.251 15.728 -4.626 1.00 51.32 H new ATOM 0 HH11 ARG A 68 8.031 18.416 -4.065 1.00 11.32 H new ATOM 0 HH12 ARG A 68 9.056 19.588 -4.901 1.00 11.32 H new ATOM 0 HH21 ARG A 68 11.563 17.240 -5.695 1.00 71.33 H new ATOM 0 HH22 ARG A 68 11.048 18.925 -5.820 1.00 71.33 H new ATOM 1044 N GLN A 69 4.257 15.234 -2.725 1.00 72.22 N ATOM 1045 CA GLN A 69 2.825 15.081 -2.953 1.00 31.31 C ATOM 1046 C GLN A 69 2.547 13.935 -3.918 1.00 65.01 C ATOM 1047 O GLN A 69 2.970 13.966 -5.074 1.00 0.53 O ATOM 1048 CB GLN A 69 2.232 16.380 -3.501 1.00 52.02 C ATOM 1049 CG GLN A 69 0.802 16.236 -3.996 1.00 33.34 C ATOM 1050 CD GLN A 69 0.077 17.565 -4.081 1.00 11.23 C ATOM 1051 OE1 GLN A 69 -0.174 18.079 -5.171 1.00 74.31 O ATOM 1052 NE2 GLN A 69 -0.264 18.128 -2.927 1.00 44.02 N ATOM 0 H GLN A 69 4.712 15.911 -3.338 1.00 72.22 H new ATOM 0 HA GLN A 69 2.354 14.850 -1.998 1.00 31.31 H new ATOM 0 HB2 GLN A 69 2.263 17.141 -2.721 1.00 52.02 H new ATOM 0 HB3 GLN A 69 2.857 16.738 -4.320 1.00 52.02 H new ATOM 0 HG2 GLN A 69 0.808 15.766 -4.979 1.00 33.34 H new ATOM 0 HG3 GLN A 69 0.256 15.570 -3.328 1.00 33.34 H new ATOM 0 HE21 GLN A 69 -0.036 17.666 -2.047 1.00 44.02 H new ATOM 0 HE22 GLN A 69 -0.754 19.022 -2.921 1.00 44.02 H new ATOM 1059 N VAL A 70 1.832 12.922 -3.437 1.00 2.50 N ATOM 1060 CA VAL A 70 1.496 11.765 -4.259 1.00 21.54 C ATOM 1061 C VAL A 70 0.245 12.025 -5.088 1.00 43.21 C ATOM 1062 O VAL A 70 -0.647 12.765 -4.674 1.00 54.25 O ATOM 1063 CB VAL A 70 1.276 10.509 -3.395 1.00 64.53 C ATOM 1064 CG1 VAL A 70 2.553 10.135 -2.660 1.00 25.12 C ATOM 1065 CG2 VAL A 70 0.132 10.731 -2.416 1.00 23.24 C ATOM 0 H VAL A 70 1.475 12.879 -2.483 1.00 2.50 H new ATOM 0 HA VAL A 70 2.340 11.594 -4.927 1.00 21.54 H new ATOM 0 HB VAL A 70 1.008 9.680 -4.050 1.00 64.53 H new ATOM 0 HG11 VAL A 70 2.377 9.245 -2.055 1.00 25.12 H new ATOM 0 HG12 VAL A 70 3.343 9.932 -3.383 1.00 25.12 H new ATOM 0 HG13 VAL A 70 2.856 10.959 -2.014 1.00 25.12 H new ATOM 0 HG21 VAL A 70 -0.010 9.834 -1.813 1.00 23.24 H new ATOM 0 HG22 VAL A 70 0.369 11.572 -1.765 1.00 23.24 H new ATOM 0 HG23 VAL A 70 -0.783 10.946 -2.968 1.00 23.24 H new ATOM 1075 N THR A 71 0.183 11.409 -6.265 1.00 23.03 N ATOM 1076 CA THR A 71 -0.959 11.573 -7.155 1.00 60.11 C ATOM 1077 C THR A 71 -1.305 10.263 -7.855 1.00 20.12 C ATOM 1078 O THR A 71 -1.977 10.257 -8.884 1.00 44.33 O ATOM 1079 CB THR A 71 -0.692 12.655 -8.219 1.00 22.21 C ATOM 1080 OG1 THR A 71 0.034 13.744 -7.637 1.00 3.44 O ATOM 1081 CG2 THR A 71 -1.998 13.167 -8.809 1.00 14.42 C ATOM 0 H THR A 71 0.911 10.792 -6.624 1.00 23.03 H new ATOM 0 HA THR A 71 -1.800 11.883 -6.535 1.00 60.11 H new ATOM 0 HB THR A 71 -0.100 12.210 -9.019 1.00 22.21 H new ATOM 0 HG1 THR A 71 -0.565 14.510 -7.518 1.00 3.44 H new ATOM 0 HG21 THR A 71 -1.785 13.930 -9.558 1.00 14.42 H new ATOM 0 HG22 THR A 71 -2.535 12.341 -9.275 1.00 14.42 H new ATOM 0 HG23 THR A 71 -2.611 13.597 -8.017 1.00 14.42 H new ATOM 1089 N GLY A 72 -0.839 9.155 -7.288 1.00 23.13 N ATOM 1090 CA GLY A 72 -1.109 7.854 -7.871 1.00 24.23 C ATOM 1091 C GLY A 72 -0.163 6.782 -7.365 1.00 54.40 C ATOM 1092 O GLY A 72 0.876 7.091 -6.781 1.00 23.55 O ATOM 0 H GLY A 72 -0.279 9.135 -6.435 1.00 23.13 H new ATOM 0 HA2 GLY A 72 -2.135 7.564 -7.645 1.00 24.23 H new ATOM 0 HA3 GLY A 72 -1.029 7.922 -8.956 1.00 24.23 H new ATOM 1096 N ILE A 73 -0.523 5.523 -7.588 1.00 3.10 N ATOM 1097 CA ILE A 73 0.302 4.404 -7.149 1.00 42.14 C ATOM 1098 C ILE A 73 0.183 3.225 -8.108 1.00 64.52 C ATOM 1099 O ILE A 73 -0.818 3.081 -8.811 1.00 55.24 O ATOM 1100 CB ILE A 73 -0.085 3.941 -5.732 1.00 40.21 C ATOM 1101 CG1 ILE A 73 -1.508 3.380 -5.727 1.00 70.43 C ATOM 1102 CG2 ILE A 73 0.040 5.092 -4.747 1.00 31.51 C ATOM 1103 CD1 ILE A 73 -1.569 1.883 -5.934 1.00 40.13 C ATOM 0 H ILE A 73 -1.380 5.252 -8.070 1.00 3.10 H new ATOM 0 HA ILE A 73 1.333 4.757 -7.137 1.00 42.14 H new ATOM 0 HB ILE A 73 0.598 3.150 -5.424 1.00 40.21 H new ATOM 0 HG12 ILE A 73 -1.984 3.627 -4.778 1.00 70.43 H new ATOM 0 HG13 ILE A 73 -2.086 3.871 -6.510 1.00 70.43 H new ATOM 0 HG21 ILE A 73 -0.237 4.749 -3.750 1.00 31.51 H new ATOM 0 HG22 ILE A 73 1.069 5.450 -4.735 1.00 31.51 H new ATOM 0 HG23 ILE A 73 -0.623 5.903 -5.049 1.00 31.51 H new ATOM 0 HD11 ILE A 73 -2.609 1.556 -5.919 1.00 40.13 H new ATOM 0 HD12 ILE A 73 -1.123 1.630 -6.896 1.00 40.13 H new ATOM 0 HD13 ILE A 73 -1.019 1.383 -5.137 1.00 40.13 H new ATOM 1114 N ILE A 74 1.210 2.382 -8.130 1.00 65.53 N ATOM 1115 CA ILE A 74 1.218 1.213 -9.001 1.00 24.41 C ATOM 1116 C ILE A 74 1.708 -0.024 -8.255 1.00 2.41 C ATOM 1117 O ILE A 74 2.684 0.035 -7.506 1.00 31.44 O ATOM 1118 CB ILE A 74 2.107 1.438 -10.237 1.00 40.45 C ATOM 1119 CG1 ILE A 74 2.279 0.131 -11.015 1.00 33.44 C ATOM 1120 CG2 ILE A 74 3.460 1.997 -9.823 1.00 64.42 C ATOM 1121 CD1 ILE A 74 0.971 -0.497 -11.440 1.00 51.15 C ATOM 0 H ILE A 74 2.046 2.486 -7.555 1.00 65.53 H new ATOM 0 HA ILE A 74 0.190 1.055 -9.327 1.00 24.41 H new ATOM 0 HB ILE A 74 1.620 2.164 -10.888 1.00 40.45 H new ATOM 0 HG12 ILE A 74 2.885 0.322 -11.900 1.00 33.44 H new ATOM 0 HG13 ILE A 74 2.830 -0.579 -10.399 1.00 33.44 H new ATOM 0 HG21 ILE A 74 4.077 2.150 -10.709 1.00 64.42 H new ATOM 0 HG22 ILE A 74 3.319 2.948 -9.310 1.00 64.42 H new ATOM 0 HG23 ILE A 74 3.955 1.293 -9.154 1.00 64.42 H new ATOM 0 HD11 ILE A 74 1.171 -1.419 -11.986 1.00 51.15 H new ATOM 0 HD12 ILE A 74 0.371 -0.720 -10.558 1.00 51.15 H new ATOM 0 HD13 ILE A 74 0.427 0.195 -12.083 1.00 51.15 H new ATOM 1132 N THR A 75 1.027 -1.146 -8.466 1.00 40.14 N ATOM 1133 CA THR A 75 1.392 -2.397 -7.816 1.00 23.52 C ATOM 1134 C THR A 75 1.499 -3.533 -8.828 1.00 34.00 C ATOM 1135 O THR A 75 0.881 -3.487 -9.891 1.00 3.14 O ATOM 1136 CB THR A 75 0.371 -2.786 -6.731 1.00 62.01 C ATOM 1137 OG1 THR A 75 0.806 -3.968 -6.048 1.00 53.44 O ATOM 1138 CG2 THR A 75 -1.002 -3.024 -7.340 1.00 42.55 C ATOM 0 H THR A 75 0.218 -1.213 -9.084 1.00 40.14 H new ATOM 0 HA THR A 75 2.364 -2.238 -7.349 1.00 23.52 H new ATOM 0 HB THR A 75 0.299 -1.962 -6.021 1.00 62.01 H new ATOM 0 HG1 THR A 75 1.784 -3.969 -5.986 1.00 53.44 H new ATOM 0 HG21 THR A 75 -1.706 -3.297 -6.554 1.00 42.55 H new ATOM 0 HG22 THR A 75 -1.344 -2.114 -7.833 1.00 42.55 H new ATOM 0 HG23 THR A 75 -0.941 -3.831 -8.070 1.00 42.55 H new ATOM 1146 N GLN A 76 2.285 -4.549 -8.489 1.00 21.52 N ATOM 1147 CA GLN A 76 2.472 -5.697 -9.369 1.00 60.24 C ATOM 1148 C GLN A 76 2.986 -6.902 -8.590 1.00 61.51 C ATOM 1149 O GLN A 76 3.781 -6.761 -7.662 1.00 24.23 O ATOM 1150 CB GLN A 76 3.446 -5.349 -10.496 1.00 61.34 C ATOM 1151 CG GLN A 76 4.379 -6.490 -10.867 1.00 72.14 C ATOM 1152 CD GLN A 76 5.082 -6.261 -12.191 1.00 22.51 C ATOM 1153 OE1 GLN A 76 6.306 -6.361 -12.282 1.00 4.12 O ATOM 1154 NE2 GLN A 76 4.310 -5.953 -13.226 1.00 20.13 N ATOM 0 H GLN A 76 2.803 -4.601 -7.612 1.00 21.52 H new ATOM 0 HA GLN A 76 1.505 -5.953 -9.801 1.00 60.24 H new ATOM 0 HB2 GLN A 76 2.878 -5.054 -11.378 1.00 61.34 H new ATOM 0 HB3 GLN A 76 4.041 -4.486 -10.197 1.00 61.34 H new ATOM 0 HG2 GLN A 76 5.124 -6.616 -10.081 1.00 72.14 H new ATOM 0 HG3 GLN A 76 3.810 -7.418 -10.918 1.00 72.14 H new ATOM 0 HE21 GLN A 76 3.300 -5.881 -13.105 1.00 20.13 H new ATOM 0 HE22 GLN A 76 4.727 -5.789 -14.142 1.00 20.13 H new ATOM 1161 N GLY A 77 2.526 -8.090 -8.975 1.00 33.22 N ATOM 1162 CA GLY A 77 2.950 -9.303 -8.301 1.00 44.23 C ATOM 1163 C GLY A 77 4.170 -9.929 -8.948 1.00 15.22 C ATOM 1164 O GLY A 77 4.681 -9.421 -9.946 1.00 62.35 O ATOM 0 H GLY A 77 1.868 -8.233 -9.741 1.00 33.22 H new ATOM 0 HA2 GLY A 77 3.171 -9.077 -7.258 1.00 44.23 H new ATOM 0 HA3 GLY A 77 2.131 -10.022 -8.305 1.00 44.23 H new ATOM 1168 N ALA A 78 4.640 -11.033 -8.377 1.00 61.44 N ATOM 1169 CA ALA A 78 5.807 -11.729 -8.905 1.00 60.14 C ATOM 1170 C ALA A 78 5.649 -13.241 -8.775 1.00 14.33 C ATOM 1171 O ALA A 78 4.674 -13.726 -8.201 1.00 3.24 O ATOM 1172 CB ALA A 78 7.066 -11.264 -8.189 1.00 22.14 C ATOM 0 H ALA A 78 4.230 -11.465 -7.549 1.00 61.44 H new ATOM 0 HA ALA A 78 5.895 -11.489 -9.965 1.00 60.14 H new ATOM 0 HB1 ALA A 78 7.930 -11.792 -8.593 1.00 22.14 H new ATOM 0 HB2 ALA A 78 7.194 -10.192 -8.337 1.00 22.14 H new ATOM 0 HB3 ALA A 78 6.978 -11.475 -7.123 1.00 22.14 H new ATOM 1178 N ARG A 79 6.615 -13.979 -9.312 1.00 21.04 N ATOM 1179 CA ARG A 79 6.582 -15.435 -9.259 1.00 32.55 C ATOM 1180 C ARG A 79 7.888 -15.988 -8.693 1.00 10.42 C ATOM 1181 O ARG A 79 8.870 -15.260 -8.547 1.00 55.31 O ATOM 1182 CB ARG A 79 6.333 -16.014 -10.653 1.00 73.42 C ATOM 1183 CG ARG A 79 7.486 -15.795 -11.618 1.00 52.42 C ATOM 1184 CD ARG A 79 8.479 -16.945 -11.570 1.00 64.04 C ATOM 1185 NE ARG A 79 9.311 -17.000 -12.769 1.00 31.12 N ATOM 1186 CZ ARG A 79 8.907 -17.520 -13.922 1.00 45.33 C ATOM 1187 NH1 ARG A 79 7.687 -18.028 -14.033 1.00 75.34 N ATOM 1188 NH2 ARG A 79 9.722 -17.533 -14.969 1.00 13.23 N ATOM 0 H ARG A 79 7.430 -13.592 -9.789 1.00 21.04 H new ATOM 0 HA ARG A 79 5.765 -15.730 -8.600 1.00 32.55 H new ATOM 0 HB2 ARG A 79 6.143 -17.084 -10.564 1.00 73.42 H new ATOM 0 HB3 ARG A 79 5.432 -15.563 -11.069 1.00 73.42 H new ATOM 0 HG2 ARG A 79 7.099 -15.690 -12.631 1.00 52.42 H new ATOM 0 HG3 ARG A 79 7.995 -14.863 -11.373 1.00 52.42 H new ATOM 0 HD2 ARG A 79 9.116 -16.838 -10.692 1.00 64.04 H new ATOM 0 HD3 ARG A 79 7.939 -17.886 -11.460 1.00 64.04 H new ATOM 0 HE ARG A 79 10.255 -16.618 -12.718 1.00 31.12 H new ATOM 0 HH11 ARG A 79 7.056 -18.020 -13.231 1.00 75.34 H new ATOM 0 HH12 ARG A 79 7.379 -18.427 -14.920 1.00 75.34 H new ATOM 0 HH21 ARG A 79 10.661 -17.143 -14.889 1.00 13.23 H new ATOM 0 HH22 ARG A 79 9.409 -17.933 -15.854 1.00 13.23 H new ATOM 1199 N ASP A 80 7.891 -17.278 -8.378 1.00 73.32 N ATOM 1200 CA ASP A 80 9.076 -17.929 -7.830 1.00 55.21 C ATOM 1201 C ASP A 80 9.720 -18.847 -8.863 1.00 43.34 C ATOM 1202 O ASP A 80 10.925 -19.095 -8.824 1.00 64.32 O ATOM 1203 CB ASP A 80 8.712 -18.727 -6.577 1.00 53.13 C ATOM 1204 CG ASP A 80 8.593 -17.850 -5.346 1.00 72.10 C ATOM 1205 OD1 ASP A 80 8.641 -16.612 -5.494 1.00 13.13 O ATOM 1206 OD2 ASP A 80 8.452 -18.403 -4.235 1.00 71.00 O ATOM 0 H ASP A 80 7.086 -17.894 -8.492 1.00 73.32 H new ATOM 0 HA ASP A 80 9.794 -17.154 -7.562 1.00 55.21 H new ATOM 0 HB2 ASP A 80 7.768 -19.246 -6.742 1.00 53.13 H new ATOM 0 HB3 ASP A 80 9.470 -19.491 -6.403 1.00 53.13 H new ATOM 1210 N PHE A 81 8.908 -19.349 -9.788 1.00 62.31 N ATOM 1211 CA PHE A 81 9.397 -20.242 -10.832 1.00 3.22 C ATOM 1212 C PHE A 81 8.242 -20.799 -11.659 1.00 71.34 C ATOM 1213 O PHE A 81 8.405 -21.127 -12.832 1.00 64.03 O ATOM 1214 CB PHE A 81 10.197 -21.392 -10.215 1.00 52.02 C ATOM 1215 CG PHE A 81 9.581 -21.948 -8.963 1.00 52.12 C ATOM 1216 CD1 PHE A 81 8.436 -22.726 -9.026 1.00 35.22 C ATOM 1217 CD2 PHE A 81 10.146 -21.690 -7.724 1.00 42.33 C ATOM 1218 CE1 PHE A 81 7.867 -23.239 -7.875 1.00 71.10 C ATOM 1219 CE2 PHE A 81 9.581 -22.201 -6.571 1.00 33.13 C ATOM 1220 CZ PHE A 81 8.440 -22.976 -6.646 1.00 52.44 C ATOM 0 H PHE A 81 7.908 -19.152 -9.836 1.00 62.31 H new ATOM 0 HA PHE A 81 10.047 -19.667 -11.491 1.00 3.22 H new ATOM 0 HB2 PHE A 81 10.293 -22.192 -10.949 1.00 52.02 H new ATOM 0 HB3 PHE A 81 11.205 -21.043 -9.990 1.00 52.02 H new ATOM 0 HD1 PHE A 81 7.983 -22.934 -9.984 1.00 35.22 H new ATOM 0 HD2 PHE A 81 11.037 -21.083 -7.659 1.00 42.33 H new ATOM 0 HE1 PHE A 81 6.975 -23.845 -7.937 1.00 71.10 H new ATOM 0 HE2 PHE A 81 10.031 -21.994 -5.611 1.00 33.13 H new ATOM 0 HZ PHE A 81 7.997 -23.375 -5.746 1.00 52.44 H new ATOM 1229 N GLY A 82 7.071 -20.901 -11.035 1.00 41.22 N ATOM 1230 CA GLY A 82 5.905 -21.418 -11.727 1.00 12.03 C ATOM 1231 C GLY A 82 4.619 -21.159 -10.968 1.00 52.04 C ATOM 1232 O GLY A 82 3.550 -21.029 -11.568 1.00 10.44 O ATOM 0 H GLY A 82 6.910 -20.635 -10.064 1.00 41.22 H new ATOM 0 HA2 GLY A 82 5.839 -20.960 -12.714 1.00 12.03 H new ATOM 0 HA3 GLY A 82 6.023 -22.491 -11.880 1.00 12.03 H new ATOM 1236 N HIS A 83 4.718 -21.084 -9.644 1.00 51.43 N ATOM 1237 CA HIS A 83 3.553 -20.839 -8.803 1.00 62.45 C ATOM 1238 C HIS A 83 3.230 -19.349 -8.742 1.00 61.14 C ATOM 1239 O HIS A 83 2.883 -18.823 -7.684 1.00 72.04 O ATOM 1240 CB HIS A 83 3.794 -21.378 -7.392 1.00 61.13 C ATOM 1241 CG HIS A 83 2.631 -22.142 -6.836 1.00 14.43 C ATOM 1242 ND1 HIS A 83 2.039 -23.198 -7.497 1.00 32.32 N ATOM 1243 CD2 HIS A 83 1.952 -21.999 -5.674 1.00 41.12 C ATOM 1244 CE1 HIS A 83 1.045 -23.670 -6.766 1.00 1.14 C ATOM 1245 NE2 HIS A 83 0.972 -22.960 -5.654 1.00 13.41 N ATOM 0 H HIS A 83 5.593 -21.190 -9.131 1.00 51.43 H new ATOM 0 HA HIS A 83 2.702 -21.360 -9.243 1.00 62.45 H new ATOM 0 HB2 HIS A 83 4.671 -22.025 -7.404 1.00 61.13 H new ATOM 0 HB3 HIS A 83 4.022 -20.545 -6.727 1.00 61.13 H new ATOM 0 HD2 HIS A 83 2.145 -21.265 -4.905 1.00 41.12 H new ATOM 0 HE1 HIS A 83 0.402 -24.496 -7.032 1.00 1.14 H new ATOM 0 HE2 HIS A 83 0.297 -23.103 -4.903 1.00 13.41 H new ATOM 1252 N ILE A 84 3.347 -18.677 -9.882 1.00 72.11 N ATOM 1253 CA ILE A 84 3.067 -17.248 -9.957 1.00 42.31 C ATOM 1254 C ILE A 84 2.238 -16.786 -8.763 1.00 50.20 C ATOM 1255 O ILE A 84 1.106 -17.228 -8.574 1.00 64.21 O ATOM 1256 CB ILE A 84 2.320 -16.888 -11.255 1.00 2.12 C ATOM 1257 CG1 ILE A 84 3.171 -17.249 -12.475 1.00 12.44 C ATOM 1258 CG2 ILE A 84 1.964 -15.410 -11.269 1.00 41.33 C ATOM 1259 CD1 ILE A 84 2.547 -18.309 -13.355 1.00 3.14 C ATOM 0 H ILE A 84 3.633 -19.098 -10.766 1.00 72.11 H new ATOM 0 HA ILE A 84 4.030 -16.738 -9.947 1.00 42.31 H new ATOM 0 HB ILE A 84 1.396 -17.464 -11.297 1.00 2.12 H new ATOM 0 HG12 ILE A 84 3.341 -16.350 -13.068 1.00 12.44 H new ATOM 0 HG13 ILE A 84 4.147 -17.597 -12.137 1.00 12.44 H new ATOM 0 HG21 ILE A 84 1.437 -15.172 -12.193 1.00 41.33 H new ATOM 0 HG22 ILE A 84 1.324 -15.182 -10.417 1.00 41.33 H new ATOM 0 HG23 ILE A 84 2.876 -14.816 -11.208 1.00 41.33 H new ATOM 0 HD11 ILE A 84 3.205 -18.514 -14.199 1.00 3.14 H new ATOM 0 HD12 ILE A 84 2.402 -19.222 -12.778 1.00 3.14 H new ATOM 0 HD13 ILE A 84 1.584 -17.956 -13.723 1.00 3.14 H new ATOM 1270 N GLN A 85 2.811 -15.894 -7.963 1.00 73.21 N ATOM 1271 CA GLN A 85 2.124 -15.371 -6.787 1.00 22.21 C ATOM 1272 C GLN A 85 1.663 -13.936 -7.019 1.00 74.12 C ATOM 1273 O GLN A 85 2.172 -13.245 -7.902 1.00 74.01 O ATOM 1274 CB GLN A 85 3.041 -15.433 -5.565 1.00 71.41 C ATOM 1275 CG GLN A 85 3.698 -16.789 -5.366 1.00 0.33 C ATOM 1276 CD GLN A 85 5.100 -16.681 -4.800 1.00 14.53 C ATOM 1277 OE1 GLN A 85 5.429 -17.318 -3.798 1.00 0.41 O ATOM 1278 NE2 GLN A 85 5.937 -15.872 -5.440 1.00 55.03 N ATOM 0 H GLN A 85 3.748 -15.518 -8.107 1.00 73.21 H new ATOM 0 HA GLN A 85 1.246 -15.990 -6.605 1.00 22.21 H new ATOM 0 HB2 GLN A 85 3.817 -14.674 -5.664 1.00 71.41 H new ATOM 0 HB3 GLN A 85 2.463 -15.184 -4.675 1.00 71.41 H new ATOM 0 HG2 GLN A 85 3.085 -17.391 -4.695 1.00 0.33 H new ATOM 0 HG3 GLN A 85 3.735 -17.314 -6.321 1.00 0.33 H new ATOM 0 HE21 GLN A 85 5.623 -15.363 -6.266 1.00 55.03 H new ATOM 0 HE22 GLN A 85 6.894 -15.760 -5.105 1.00 55.03 H new ATOM 1285 N TYR A 86 0.698 -13.493 -6.221 1.00 65.04 N ATOM 1286 CA TYR A 86 0.166 -12.141 -6.342 1.00 45.23 C ATOM 1287 C TYR A 86 -0.849 -11.854 -5.239 1.00 3.02 C ATOM 1288 O TYR A 86 -1.644 -12.719 -4.870 1.00 14.11 O ATOM 1289 CB TYR A 86 -0.485 -11.946 -7.713 1.00 2.04 C ATOM 1290 CG TYR A 86 -0.963 -10.534 -7.961 1.00 73.43 C ATOM 1291 CD1 TYR A 86 -0.226 -9.443 -7.518 1.00 54.35 C ATOM 1292 CD2 TYR A 86 -2.153 -10.290 -8.637 1.00 13.42 C ATOM 1293 CE1 TYR A 86 -0.659 -8.149 -7.742 1.00 31.34 C ATOM 1294 CE2 TYR A 86 -2.593 -9.001 -8.866 1.00 13.02 C ATOM 1295 CZ TYR A 86 -1.843 -7.934 -8.416 1.00 1.31 C ATOM 1296 OH TYR A 86 -2.278 -6.648 -8.642 1.00 24.23 O ATOM 0 H TYR A 86 0.268 -14.051 -5.483 1.00 65.04 H new ATOM 0 HA TYR A 86 0.996 -11.441 -6.239 1.00 45.23 H new ATOM 0 HB2 TYR A 86 0.231 -12.220 -8.488 1.00 2.04 H new ATOM 0 HB3 TYR A 86 -1.330 -12.628 -7.805 1.00 2.04 H new ATOM 0 HD1 TYR A 86 0.701 -9.608 -6.989 1.00 54.35 H new ATOM 0 HD2 TYR A 86 -2.744 -11.123 -8.989 1.00 13.42 H new ATOM 0 HE1 TYR A 86 -0.074 -7.312 -7.391 1.00 31.34 H new ATOM 0 HE2 TYR A 86 -3.519 -8.829 -9.394 1.00 13.02 H new ATOM 0 HH TYR A 86 -3.127 -6.671 -9.130 1.00 24.23 H new ATOM 1305 N VAL A 87 -0.816 -10.632 -4.717 1.00 41.51 N ATOM 1306 CA VAL A 87 -1.733 -10.228 -3.658 1.00 43.31 C ATOM 1307 C VAL A 87 -3.012 -9.634 -4.236 1.00 53.55 C ATOM 1308 O VAL A 87 -3.017 -9.108 -5.349 1.00 64.15 O ATOM 1309 CB VAL A 87 -1.082 -9.200 -2.714 1.00 42.42 C ATOM 1310 CG1 VAL A 87 -1.927 -9.014 -1.463 1.00 10.12 C ATOM 1311 CG2 VAL A 87 0.332 -9.628 -2.354 1.00 63.23 C ATOM 0 H VAL A 87 -0.164 -9.905 -5.010 1.00 41.51 H new ATOM 0 HA VAL A 87 -1.978 -11.126 -3.091 1.00 43.31 H new ATOM 0 HB VAL A 87 -1.026 -8.242 -3.231 1.00 42.42 H new ATOM 0 HG11 VAL A 87 -1.451 -8.284 -0.808 1.00 10.12 H new ATOM 0 HG12 VAL A 87 -2.918 -8.658 -1.743 1.00 10.12 H new ATOM 0 HG13 VAL A 87 -2.018 -9.966 -0.940 1.00 10.12 H new ATOM 0 HG21 VAL A 87 0.777 -8.890 -1.686 1.00 63.23 H new ATOM 0 HG22 VAL A 87 0.303 -10.597 -1.856 1.00 63.23 H new ATOM 0 HG23 VAL A 87 0.931 -9.704 -3.261 1.00 63.23 H new ATOM 1321 N ALA A 88 -4.096 -9.719 -3.471 1.00 64.25 N ATOM 1322 CA ALA A 88 -5.381 -9.187 -3.907 1.00 62.44 C ATOM 1323 C ALA A 88 -5.841 -8.051 -2.999 1.00 11.35 C ATOM 1324 O ALA A 88 -5.756 -6.879 -3.363 1.00 45.44 O ATOM 1325 CB ALA A 88 -6.426 -10.293 -3.941 1.00 73.31 C ATOM 0 H ALA A 88 -4.109 -10.151 -2.547 1.00 64.25 H new ATOM 0 HA ALA A 88 -5.258 -8.787 -4.913 1.00 62.44 H new ATOM 0 HB1 ALA A 88 -7.381 -9.881 -4.268 1.00 73.31 H new ATOM 0 HB2 ALA A 88 -6.109 -11.072 -4.635 1.00 73.31 H new ATOM 0 HB3 ALA A 88 -6.537 -10.719 -2.944 1.00 73.31 H new ATOM 1331 N SER A 89 -6.328 -8.406 -1.814 1.00 31.21 N ATOM 1332 CA SER A 89 -6.805 -7.416 -0.856 1.00 51.24 C ATOM 1333 C SER A 89 -5.641 -6.805 -0.081 1.00 54.44 C ATOM 1334 O SER A 89 -4.905 -7.507 0.611 1.00 43.32 O ATOM 1335 CB SER A 89 -7.801 -8.054 0.116 1.00 13.43 C ATOM 1336 OG SER A 89 -8.772 -8.816 -0.577 1.00 71.15 O ATOM 0 H SER A 89 -6.402 -9.372 -1.495 1.00 31.21 H new ATOM 0 HA SER A 89 -7.306 -6.622 -1.410 1.00 51.24 H new ATOM 0 HB2 SER A 89 -7.268 -8.692 0.821 1.00 13.43 H new ATOM 0 HB3 SER A 89 -8.293 -7.276 0.700 1.00 13.43 H new ATOM 0 HG SER A 89 -9.556 -8.946 -0.004 1.00 71.15 H new ATOM 1341 N TYR A 90 -5.483 -5.492 -0.204 1.00 53.41 N ATOM 1342 CA TYR A 90 -4.408 -4.784 0.481 1.00 12.14 C ATOM 1343 C TYR A 90 -4.920 -3.492 1.110 1.00 21.33 C ATOM 1344 O TYR A 90 -5.871 -2.884 0.620 1.00 72.15 O ATOM 1345 CB TYR A 90 -3.270 -4.474 -0.494 1.00 21.31 C ATOM 1346 CG TYR A 90 -1.918 -4.960 -0.022 1.00 62.32 C ATOM 1347 CD1 TYR A 90 -1.308 -4.401 1.094 1.00 54.22 C ATOM 1348 CD2 TYR A 90 -1.252 -5.979 -0.692 1.00 73.50 C ATOM 1349 CE1 TYR A 90 -0.073 -4.841 1.528 1.00 52.13 C ATOM 1350 CE2 TYR A 90 -0.017 -6.426 -0.263 1.00 24.10 C ATOM 1351 CZ TYR A 90 0.569 -5.854 0.847 1.00 63.25 C ATOM 1352 OH TYR A 90 1.799 -6.297 1.277 1.00 43.53 O ATOM 0 H TYR A 90 -6.086 -4.896 -0.772 1.00 53.41 H new ATOM 0 HA TYR A 90 -4.032 -5.429 1.275 1.00 12.14 H new ATOM 0 HB2 TYR A 90 -3.494 -4.931 -1.458 1.00 21.31 H new ATOM 0 HB3 TYR A 90 -3.224 -3.397 -0.654 1.00 21.31 H new ATOM 0 HD1 TYR A 90 -1.808 -3.609 1.631 1.00 54.22 H new ATOM 0 HD2 TYR A 90 -1.707 -6.429 -1.562 1.00 73.50 H new ATOM 0 HE1 TYR A 90 0.388 -4.394 2.396 1.00 52.13 H new ATOM 0 HE2 TYR A 90 0.487 -7.220 -0.794 1.00 24.10 H new ATOM 0 HH TYR A 90 1.903 -7.245 1.051 1.00 43.53 H new ATOM 1361 N LYS A 91 -4.281 -3.078 2.199 1.00 32.43 N ATOM 1362 CA LYS A 91 -4.668 -1.858 2.896 1.00 34.41 C ATOM 1363 C LYS A 91 -3.661 -0.742 2.639 1.00 34.50 C ATOM 1364 O LYS A 91 -2.661 -0.620 3.346 1.00 53.44 O ATOM 1365 CB LYS A 91 -4.782 -2.120 4.400 1.00 1.00 C ATOM 1366 CG LYS A 91 -6.087 -1.631 5.005 1.00 70.41 C ATOM 1367 CD LYS A 91 -5.959 -0.214 5.537 1.00 15.04 C ATOM 1368 CE LYS A 91 -6.979 0.066 6.630 1.00 50.22 C ATOM 1369 NZ LYS A 91 -6.378 -0.031 7.988 1.00 31.41 N ATOM 0 H LYS A 91 -3.492 -3.570 2.618 1.00 32.43 H new ATOM 0 HA LYS A 91 -5.639 -1.543 2.513 1.00 34.41 H new ATOM 0 HB2 LYS A 91 -4.685 -3.190 4.582 1.00 1.00 H new ATOM 0 HB3 LYS A 91 -3.950 -1.633 4.909 1.00 1.00 H new ATOM 0 HG2 LYS A 91 -6.874 -1.668 4.252 1.00 70.41 H new ATOM 0 HG3 LYS A 91 -6.387 -2.298 5.813 1.00 70.41 H new ATOM 0 HD2 LYS A 91 -4.953 -0.061 5.929 1.00 15.04 H new ATOM 0 HD3 LYS A 91 -6.095 0.496 4.721 1.00 15.04 H new ATOM 0 HE2 LYS A 91 -7.398 1.062 6.489 1.00 50.22 H new ATOM 0 HE3 LYS A 91 -7.804 -0.642 6.547 1.00 50.22 H new ATOM 0 HZ1 LYS A 91 -6.957 0.508 8.663 1.00 31.41 H new ATOM 0 HZ2 LYS A 91 -6.342 -1.028 8.281 1.00 31.41 H new ATOM 0 HZ3 LYS A 91 -5.414 0.360 7.970 1.00 31.41 H new ATOM 1379 N VAL A 92 -3.933 0.073 1.624 1.00 64.55 N ATOM 1380 CA VAL A 92 -3.053 1.181 1.275 1.00 21.14 C ATOM 1381 C VAL A 92 -3.228 2.347 2.241 1.00 70.51 C ATOM 1382 O VAL A 92 -4.291 2.963 2.299 1.00 74.21 O ATOM 1383 CB VAL A 92 -3.313 1.674 -0.160 1.00 5.44 C ATOM 1384 CG1 VAL A 92 -2.362 2.806 -0.517 1.00 12.25 C ATOM 1385 CG2 VAL A 92 -3.182 0.526 -1.149 1.00 44.12 C ATOM 0 H VAL A 92 -4.757 -0.014 1.029 1.00 64.55 H new ATOM 0 HA VAL A 92 -2.031 0.807 1.343 1.00 21.14 H new ATOM 0 HB VAL A 92 -4.332 2.057 -0.215 1.00 5.44 H new ATOM 0 HG11 VAL A 92 -2.561 3.141 -1.535 1.00 12.25 H new ATOM 0 HG12 VAL A 92 -2.509 3.636 0.174 1.00 12.25 H new ATOM 0 HG13 VAL A 92 -1.333 2.453 -0.446 1.00 12.25 H new ATOM 0 HG21 VAL A 92 -3.369 0.892 -2.158 1.00 44.12 H new ATOM 0 HG22 VAL A 92 -2.175 0.111 -1.094 1.00 44.12 H new ATOM 0 HG23 VAL A 92 -3.908 -0.250 -0.904 1.00 44.12 H new ATOM 1395 N ALA A 93 -2.176 2.645 2.999 1.00 65.24 N ATOM 1396 CA ALA A 93 -2.214 3.739 3.960 1.00 71.41 C ATOM 1397 C ALA A 93 -1.084 4.730 3.708 1.00 1.40 C ATOM 1398 O ALA A 93 0.028 4.342 3.347 1.00 40.23 O ATOM 1399 CB ALA A 93 -2.135 3.196 5.380 1.00 53.30 C ATOM 0 H ALA A 93 -1.288 2.144 2.965 1.00 65.24 H new ATOM 0 HA ALA A 93 -3.160 4.267 3.836 1.00 71.41 H new ATOM 0 HB1 ALA A 93 -2.164 4.024 6.088 1.00 53.30 H new ATOM 0 HB2 ALA A 93 -2.980 2.532 5.563 1.00 53.30 H new ATOM 0 HB3 ALA A 93 -1.204 2.643 5.507 1.00 53.30 H new ATOM 1405 N HIS A 94 -1.375 6.014 3.898 1.00 2.45 N ATOM 1406 CA HIS A 94 -0.382 7.062 3.690 1.00 24.23 C ATOM 1407 C HIS A 94 -0.235 7.926 4.938 1.00 35.24 C ATOM 1408 O HIS A 94 -1.216 8.218 5.622 1.00 32.14 O ATOM 1409 CB HIS A 94 -0.771 7.932 2.495 1.00 53.12 C ATOM 1410 CG HIS A 94 -0.838 7.180 1.202 1.00 54.13 C ATOM 1411 ND1 HIS A 94 -0.152 7.567 0.070 1.00 63.01 N ATOM 1412 CD2 HIS A 94 -1.514 6.056 0.865 1.00 32.12 C ATOM 1413 CE1 HIS A 94 -0.404 6.715 -0.907 1.00 62.24 C ATOM 1414 NE2 HIS A 94 -1.227 5.788 -0.451 1.00 42.05 N ATOM 0 H HIS A 94 -2.290 6.353 4.195 1.00 2.45 H new ATOM 0 HA HIS A 94 0.577 6.585 3.485 1.00 24.23 H new ATOM 0 HB2 HIS A 94 -1.741 8.390 2.690 1.00 53.12 H new ATOM 0 HB3 HIS A 94 -0.050 8.743 2.397 1.00 53.12 H new ATOM 0 HD1 HIS A 94 0.455 8.384 -0.001 1.00 63.01 H new ATOM 0 HD2 HIS A 94 -2.159 5.478 1.511 1.00 32.12 H new ATOM 0 HE1 HIS A 94 -0.005 6.767 -1.909 1.00 62.24 H new ATOM 1421 N SER A 95 0.997 8.333 5.230 1.00 25.33 N ATOM 1422 CA SER A 95 1.273 9.160 6.398 1.00 65.22 C ATOM 1423 C SER A 95 2.025 10.426 6.002 1.00 13.24 C ATOM 1424 O SER A 95 3.129 10.362 5.461 1.00 12.20 O ATOM 1425 CB SER A 95 2.086 8.371 7.427 1.00 64.33 C ATOM 1426 OG SER A 95 1.721 7.002 7.425 1.00 44.13 O ATOM 0 H SER A 95 1.820 8.103 4.673 1.00 25.33 H new ATOM 0 HA SER A 95 0.320 9.448 6.842 1.00 65.22 H new ATOM 0 HB2 SER A 95 3.149 8.467 7.206 1.00 64.33 H new ATOM 0 HB3 SER A 95 1.927 8.791 8.420 1.00 64.33 H new ATOM 0 HG SER A 95 2.507 6.454 7.628 1.00 44.13 H new ATOM 1431 N ASP A 96 1.420 11.577 6.276 1.00 5.21 N ATOM 1432 CA ASP A 96 2.031 12.859 5.948 1.00 73.02 C ATOM 1433 C ASP A 96 2.998 13.295 7.045 1.00 24.23 C ATOM 1434 O ASP A 96 4.123 13.711 6.765 1.00 25.44 O ATOM 1435 CB ASP A 96 0.953 13.926 5.748 1.00 13.32 C ATOM 1436 CG ASP A 96 -0.045 13.962 6.888 1.00 30.51 C ATOM 1437 OD1 ASP A 96 -0.835 13.002 7.016 1.00 41.20 O ATOM 1438 OD2 ASP A 96 -0.035 14.948 7.654 1.00 63.43 O ATOM 0 H ASP A 96 0.507 11.648 6.725 1.00 5.21 H new ATOM 0 HA ASP A 96 2.590 12.741 5.020 1.00 73.02 H new ATOM 0 HB2 ASP A 96 1.427 14.903 5.653 1.00 13.32 H new ATOM 0 HB3 ASP A 96 0.426 13.735 4.813 1.00 13.32 H new ATOM 1442 N ASP A 97 2.553 13.198 8.292 1.00 61.43 N ATOM 1443 CA ASP A 97 3.378 13.583 9.431 1.00 30.35 C ATOM 1444 C ASP A 97 4.146 12.382 9.975 1.00 71.43 C ATOM 1445 O ASP A 97 5.143 12.536 10.679 1.00 74.14 O ATOM 1446 CB ASP A 97 2.511 14.192 10.535 1.00 24.21 C ATOM 1447 CG ASP A 97 3.232 15.284 11.300 1.00 70.33 C ATOM 1448 OD1 ASP A 97 4.413 15.081 11.653 1.00 42.24 O ATOM 1449 OD2 ASP A 97 2.615 16.342 11.547 1.00 21.52 O ATOM 0 H ASP A 97 1.625 12.856 8.540 1.00 61.43 H new ATOM 0 HA ASP A 97 4.097 14.329 9.092 1.00 30.35 H new ATOM 0 HB2 ASP A 97 1.601 14.600 10.095 1.00 24.21 H new ATOM 0 HB3 ASP A 97 2.206 13.408 11.228 1.00 24.21 H new ATOM 1453 N GLY A 98 3.672 11.184 9.644 1.00 34.35 N ATOM 1454 CA GLY A 98 4.326 9.974 10.110 1.00 70.32 C ATOM 1455 C GLY A 98 3.496 9.224 11.133 1.00 1.01 C ATOM 1456 O GLY A 98 3.482 7.992 11.148 1.00 75.11 O ATOM 0 H GLY A 98 2.848 11.030 9.063 1.00 34.35 H new ATOM 0 HA2 GLY A 98 4.525 9.322 9.260 1.00 70.32 H new ATOM 0 HA3 GLY A 98 5.291 10.231 10.547 1.00 70.32 H new ATOM 1460 N VAL A 99 2.804 9.966 11.990 1.00 72.23 N ATOM 1461 CA VAL A 99 1.967 9.363 13.022 1.00 2.32 C ATOM 1462 C VAL A 99 0.553 9.116 12.509 1.00 1.31 C ATOM 1463 O VAL A 99 -0.152 8.238 13.003 1.00 75.20 O ATOM 1464 CB VAL A 99 1.898 10.251 14.278 1.00 10.43 C ATOM 1465 CG1 VAL A 99 3.294 10.524 14.818 1.00 43.22 C ATOM 1466 CG2 VAL A 99 1.172 11.553 13.971 1.00 2.21 C ATOM 0 H VAL A 99 2.806 10.986 11.991 1.00 72.23 H new ATOM 0 HA VAL A 99 2.426 8.410 13.285 1.00 2.32 H new ATOM 0 HB VAL A 99 1.335 9.720 15.046 1.00 10.43 H new ATOM 0 HG11 VAL A 99 3.224 11.153 15.705 1.00 43.22 H new ATOM 0 HG12 VAL A 99 3.774 9.581 15.079 1.00 43.22 H new ATOM 0 HG13 VAL A 99 3.885 11.034 14.057 1.00 43.22 H new ATOM 0 HG21 VAL A 99 1.132 12.168 14.870 1.00 2.21 H new ATOM 0 HG22 VAL A 99 1.705 12.090 13.187 1.00 2.21 H new ATOM 0 HG23 VAL A 99 0.158 11.334 13.636 1.00 2.21 H new ATOM 1476 N GLN A 100 0.146 9.897 11.513 1.00 73.21 N ATOM 1477 CA GLN A 100 -1.185 9.764 10.932 1.00 24.33 C ATOM 1478 C GLN A 100 -1.211 8.658 9.882 1.00 62.20 C ATOM 1479 O GLN A 100 -0.265 8.497 9.112 1.00 21.03 O ATOM 1480 CB GLN A 100 -1.627 11.088 10.308 1.00 4.01 C ATOM 1481 CG GLN A 100 -1.661 12.244 11.294 1.00 54.24 C ATOM 1482 CD GLN A 100 -2.118 13.541 10.656 1.00 55.22 C ATOM 1483 OE1 GLN A 100 -3.251 13.651 10.186 1.00 24.35 O ATOM 1484 NE2 GLN A 100 -1.236 14.534 10.636 1.00 13.54 N ATOM 0 H GLN A 100 0.719 10.628 11.092 1.00 73.21 H new ATOM 0 HA GLN A 100 -1.878 9.499 11.730 1.00 24.33 H new ATOM 0 HB2 GLN A 100 -0.951 11.338 9.491 1.00 4.01 H new ATOM 0 HB3 GLN A 100 -2.619 10.962 9.874 1.00 4.01 H new ATOM 0 HG2 GLN A 100 -2.329 11.994 12.118 1.00 54.24 H new ATOM 0 HG3 GLN A 100 -0.667 12.383 11.720 1.00 54.24 H new ATOM 0 HE21 GLN A 100 -0.308 14.400 11.037 1.00 13.54 H new ATOM 0 HE22 GLN A 100 -1.487 15.431 10.220 1.00 13.54 H new ATOM 1491 N TRP A 101 -2.301 7.899 9.858 1.00 41.50 N ATOM 1492 CA TRP A 101 -2.450 6.808 8.902 1.00 45.25 C ATOM 1493 C TRP A 101 -3.712 6.987 8.064 1.00 4.52 C ATOM 1494 O TRP A 101 -4.799 6.568 8.462 1.00 22.34 O ATOM 1495 CB TRP A 101 -2.495 5.465 9.631 1.00 34.13 C ATOM 1496 CG TRP A 101 -1.428 5.321 10.674 1.00 23.14 C ATOM 1497 CD1 TRP A 101 -0.151 5.801 10.612 1.00 1.44 C ATOM 1498 CD2 TRP A 101 -1.545 4.649 11.933 1.00 20.45 C ATOM 1499 NE1 TRP A 101 0.533 5.468 11.757 1.00 44.22 N ATOM 1500 CE2 TRP A 101 -0.300 4.762 12.583 1.00 72.25 C ATOM 1501 CE3 TRP A 101 -2.580 3.964 12.575 1.00 55.13 C ATOM 1502 CZ2 TRP A 101 -0.066 4.215 13.843 1.00 41.23 C ATOM 1503 CZ3 TRP A 101 -2.346 3.422 13.825 1.00 51.11 C ATOM 1504 CH2 TRP A 101 -1.098 3.551 14.448 1.00 2.23 C ATOM 0 H TRP A 101 -3.094 8.019 10.489 1.00 41.50 H new ATOM 0 HA TRP A 101 -1.588 6.823 8.236 1.00 45.25 H new ATOM 0 HB2 TRP A 101 -3.471 5.347 10.101 1.00 34.13 H new ATOM 0 HB3 TRP A 101 -2.393 4.660 8.903 1.00 34.13 H new ATOM 0 HD1 TRP A 101 0.261 6.360 9.785 1.00 1.44 H new ATOM 0 HE1 TRP A 101 1.504 5.708 11.959 1.00 44.22 H new ATOM 0 HE3 TRP A 101 -3.546 3.860 12.103 1.00 55.13 H new ATOM 0 HZ2 TRP A 101 0.896 4.312 14.325 1.00 41.23 H new ATOM 0 HZ3 TRP A 101 -3.139 2.890 14.330 1.00 51.11 H new ATOM 0 HH2 TRP A 101 -0.947 3.118 15.426 1.00 2.23 H new ATOM 1514 N THR A 102 -3.561 7.613 6.900 1.00 61.30 N ATOM 1515 CA THR A 102 -4.689 7.848 6.008 1.00 5.12 C ATOM 1516 C THR A 102 -4.996 6.611 5.172 1.00 11.25 C ATOM 1517 O THR A 102 -4.298 6.315 4.202 1.00 20.04 O ATOM 1518 CB THR A 102 -4.421 9.036 5.065 1.00 51.41 C ATOM 1519 OG1 THR A 102 -4.208 10.229 5.829 1.00 43.04 O ATOM 1520 CG2 THR A 102 -5.586 9.242 4.108 1.00 35.31 C ATOM 0 H THR A 102 -2.669 7.966 6.554 1.00 61.30 H new ATOM 0 HA THR A 102 -5.547 8.080 6.639 1.00 5.12 H new ATOM 0 HB THR A 102 -3.528 8.814 4.481 1.00 51.41 H new ATOM 0 HG1 THR A 102 -4.037 10.980 5.223 1.00 43.04 H new ATOM 0 HG21 THR A 102 -5.373 10.086 3.452 1.00 35.31 H new ATOM 0 HG22 THR A 102 -5.727 8.343 3.508 1.00 35.31 H new ATOM 0 HG23 THR A 102 -6.493 9.444 4.677 1.00 35.31 H new ATOM 1528 N VAL A 103 -6.046 5.890 5.554 1.00 41.51 N ATOM 1529 CA VAL A 103 -6.446 4.684 4.837 1.00 74.44 C ATOM 1530 C VAL A 103 -7.614 4.965 3.898 1.00 13.33 C ATOM 1531 O VAL A 103 -8.074 6.102 3.786 1.00 10.21 O ATOM 1532 CB VAL A 103 -6.845 3.560 5.812 1.00 64.12 C ATOM 1533 CG1 VAL A 103 -5.622 3.029 6.544 1.00 32.23 C ATOM 1534 CG2 VAL A 103 -7.894 4.055 6.796 1.00 13.35 C ATOM 0 H VAL A 103 -6.634 6.120 6.355 1.00 41.51 H new ATOM 0 HA VAL A 103 -5.584 4.361 4.253 1.00 74.44 H new ATOM 0 HB VAL A 103 -7.278 2.741 5.238 1.00 64.12 H new ATOM 0 HG11 VAL A 103 -5.923 2.236 7.228 1.00 32.23 H new ATOM 0 HG12 VAL A 103 -4.909 2.633 5.821 1.00 32.23 H new ATOM 0 HG13 VAL A 103 -5.156 3.837 7.108 1.00 32.23 H new ATOM 0 HG21 VAL A 103 -8.164 3.248 7.477 1.00 13.35 H new ATOM 0 HG22 VAL A 103 -7.491 4.892 7.367 1.00 13.35 H new ATOM 0 HG23 VAL A 103 -8.780 4.381 6.250 1.00 13.35 H new ATOM 1544 N TYR A 104 -8.089 3.923 3.226 1.00 60.23 N ATOM 1545 CA TYR A 104 -9.202 4.058 2.294 1.00 61.45 C ATOM 1546 C TYR A 104 -10.501 3.556 2.920 1.00 11.52 C ATOM 1547 O TYR A 104 -10.976 2.468 2.597 1.00 31.31 O ATOM 1548 CB TYR A 104 -8.912 3.286 1.005 1.00 71.34 C ATOM 1549 CG TYR A 104 -7.878 3.949 0.122 1.00 72.50 C ATOM 1550 CD1 TYR A 104 -7.917 5.316 -0.119 1.00 43.53 C ATOM 1551 CD2 TYR A 104 -6.864 3.207 -0.469 1.00 2.41 C ATOM 1552 CE1 TYR A 104 -6.975 5.926 -0.925 1.00 42.44 C ATOM 1553 CE2 TYR A 104 -5.917 3.809 -1.276 1.00 65.20 C ATOM 1554 CZ TYR A 104 -5.977 5.168 -1.501 1.00 31.20 C ATOM 1555 OH TYR A 104 -5.037 5.770 -2.305 1.00 3.13 O ATOM 0 H TYR A 104 -7.721 2.975 3.309 1.00 60.23 H new ATOM 0 HA TYR A 104 -9.319 5.116 2.058 1.00 61.45 H new ATOM 0 HB2 TYR A 104 -8.570 2.283 1.261 1.00 71.34 H new ATOM 0 HB3 TYR A 104 -9.839 3.173 0.443 1.00 71.34 H new ATOM 0 HD1 TYR A 104 -8.697 5.912 0.331 1.00 43.53 H new ATOM 0 HD2 TYR A 104 -6.814 2.142 -0.295 1.00 2.41 H new ATOM 0 HE1 TYR A 104 -7.020 6.990 -1.103 1.00 42.44 H new ATOM 0 HE2 TYR A 104 -5.134 3.218 -1.728 1.00 65.20 H new ATOM 0 HH TYR A 104 -5.146 5.456 -3.227 1.00 3.13 H new ATOM 1632 N LYS A 111 -12.136 -0.195 4.641 1.00 33.51 N ATOM 1633 CA LYS A 111 -12.183 -1.400 3.822 1.00 23.51 C ATOM 1634 C LYS A 111 -10.991 -1.459 2.872 1.00 74.32 C ATOM 1635 O LYS A 111 -10.711 -0.500 2.152 1.00 35.54 O ATOM 1636 CB LYS A 111 -13.488 -1.448 3.024 1.00 71.31 C ATOM 1637 CG LYS A 111 -13.720 -2.772 2.317 1.00 4.11 C ATOM 1638 CD LYS A 111 -14.649 -3.674 3.111 1.00 74.53 C ATOM 1639 CE LYS A 111 -16.097 -3.501 2.679 1.00 23.51 C ATOM 1640 NZ LYS A 111 -16.921 -4.698 3.006 1.00 30.23 N ATOM 0 HA LYS A 111 -12.138 -2.263 4.486 1.00 23.51 H new ATOM 0 HB2 LYS A 111 -14.323 -1.254 3.697 1.00 71.31 H new ATOM 0 HB3 LYS A 111 -13.482 -0.647 2.285 1.00 71.31 H new ATOM 0 HG2 LYS A 111 -14.145 -2.589 1.330 1.00 4.11 H new ATOM 0 HG3 LYS A 111 -12.766 -3.276 2.164 1.00 4.11 H new ATOM 0 HD2 LYS A 111 -14.350 -4.714 2.978 1.00 74.53 H new ATOM 0 HD3 LYS A 111 -14.556 -3.449 4.174 1.00 74.53 H new ATOM 0 HE2 LYS A 111 -16.520 -2.624 3.169 1.00 23.51 H new ATOM 0 HE3 LYS A 111 -16.136 -3.316 1.606 1.00 23.51 H new ATOM 0 HZ1 LYS A 111 -17.901 -4.540 2.696 1.00 30.23 H new ATOM 0 HZ2 LYS A 111 -16.533 -5.530 2.518 1.00 30.23 H new ATOM 0 HZ3 LYS A 111 -16.905 -4.860 4.033 1.00 30.23 H new ATOM 1650 N VAL A 112 -10.294 -2.590 2.873 1.00 1.13 N ATOM 1651 CA VAL A 112 -9.135 -2.775 2.009 1.00 11.14 C ATOM 1652 C VAL A 112 -9.550 -2.882 0.546 1.00 31.34 C ATOM 1653 O VAL A 112 -10.702 -3.189 0.238 1.00 25.34 O ATOM 1654 CB VAL A 112 -8.338 -4.034 2.400 1.00 52.13 C ATOM 1655 CG1 VAL A 112 -7.939 -3.980 3.867 1.00 0.41 C ATOM 1656 CG2 VAL A 112 -9.148 -5.288 2.104 1.00 32.44 C ATOM 0 H VAL A 112 -10.512 -3.393 3.463 1.00 1.13 H new ATOM 0 HA VAL A 112 -8.501 -1.898 2.139 1.00 11.14 H new ATOM 0 HB VAL A 112 -7.427 -4.067 1.803 1.00 52.13 H new ATOM 0 HG11 VAL A 112 -7.377 -4.878 4.124 1.00 0.41 H new ATOM 0 HG12 VAL A 112 -7.319 -3.101 4.043 1.00 0.41 H new ATOM 0 HG13 VAL A 112 -8.835 -3.923 4.486 1.00 0.41 H new ATOM 0 HG21 VAL A 112 -8.571 -6.169 2.386 1.00 32.44 H new ATOM 0 HG22 VAL A 112 -10.076 -5.265 2.675 1.00 32.44 H new ATOM 0 HG23 VAL A 112 -9.377 -5.330 1.039 1.00 32.44 H new ATOM 1666 N PHE A 113 -8.604 -2.629 -0.351 1.00 2.15 N ATOM 1667 CA PHE A 113 -8.871 -2.697 -1.784 1.00 72.54 C ATOM 1668 C PHE A 113 -8.334 -3.996 -2.376 1.00 1.41 C ATOM 1669 O PHE A 113 -7.227 -4.427 -2.051 1.00 51.23 O ATOM 1670 CB PHE A 113 -8.245 -1.499 -2.498 1.00 0.21 C ATOM 1671 CG PHE A 113 -9.223 -0.400 -2.799 1.00 63.55 C ATOM 1672 CD1 PHE A 113 -9.983 0.165 -1.787 1.00 32.12 C ATOM 1673 CD2 PHE A 113 -9.385 0.068 -4.093 1.00 2.35 C ATOM 1674 CE1 PHE A 113 -10.885 1.177 -2.060 1.00 24.35 C ATOM 1675 CE2 PHE A 113 -10.285 1.079 -4.373 1.00 32.53 C ATOM 1676 CZ PHE A 113 -11.036 1.634 -3.355 1.00 25.35 C ATOM 0 H PHE A 113 -7.645 -2.375 -0.112 1.00 2.15 H new ATOM 0 HA PHE A 113 -9.951 -2.673 -1.929 1.00 72.54 H new ATOM 0 HB2 PHE A 113 -7.440 -1.099 -1.881 1.00 0.21 H new ATOM 0 HB3 PHE A 113 -7.794 -1.838 -3.431 1.00 0.21 H new ATOM 0 HD1 PHE A 113 -9.869 -0.189 -0.773 1.00 32.12 H new ATOM 0 HD2 PHE A 113 -8.801 -0.363 -4.893 1.00 2.35 H new ATOM 0 HE1 PHE A 113 -11.470 1.609 -1.262 1.00 24.35 H new ATOM 0 HE2 PHE A 113 -10.401 1.435 -5.386 1.00 32.53 H new ATOM 0 HZ PHE A 113 -11.740 2.424 -3.571 1.00 25.35 H new ATOM 1685 N GLN A 114 -9.125 -4.615 -3.247 1.00 53.21 N ATOM 1686 CA GLN A 114 -8.729 -5.865 -3.883 1.00 11.33 C ATOM 1687 C GLN A 114 -8.131 -5.608 -5.262 1.00 1.43 C ATOM 1688 O GLN A 114 -8.526 -4.673 -5.957 1.00 40.11 O ATOM 1689 CB GLN A 114 -9.930 -6.804 -4.003 1.00 43.24 C ATOM 1690 CG GLN A 114 -11.062 -6.240 -4.848 1.00 63.20 C ATOM 1691 CD GLN A 114 -12.044 -5.420 -4.035 1.00 12.21 C ATOM 1692 OE1 GLN A 114 -11.963 -4.101 -4.164 1.00 40.33 O flip ATOM 1693 NE2 GLN A 114 -12.866 -5.966 -3.298 1.00 64.04 N flip ATOM 0 H GLN A 114 -10.043 -4.271 -3.528 1.00 53.21 H new ATOM 0 HA GLN A 114 -7.969 -6.336 -3.259 1.00 11.33 H new ATOM 0 HB2 GLN A 114 -9.600 -7.748 -4.436 1.00 43.24 H new ATOM 0 HB3 GLN A 114 -10.308 -7.026 -3.005 1.00 43.24 H new ATOM 0 HG2 GLN A 114 -10.644 -5.619 -5.640 1.00 63.20 H new ATOM 0 HG3 GLN A 114 -11.592 -7.060 -5.332 1.00 63.20 H new ATOM 0 HE21 GLN A 114 -12.893 -6.983 -3.229 1.00 64.04 H new ATOM 0 HE22 GLN A 114 -13.520 -5.401 -2.756 1.00 64.04 H new ATOM 1700 N GLY A 115 -7.173 -6.444 -5.653 1.00 72.31 N ATOM 1701 CA GLY A 115 -6.536 -6.290 -6.947 1.00 3.34 C ATOM 1702 C GLY A 115 -6.957 -7.362 -7.932 1.00 42.45 C ATOM 1703 O GLY A 115 -8.144 -7.651 -8.074 1.00 21.31 O ATOM 0 H GLY A 115 -6.827 -7.225 -5.096 1.00 72.31 H new ATOM 0 HA2 GLY A 115 -6.782 -5.310 -7.355 1.00 3.34 H new ATOM 0 HA3 GLY A 115 -5.454 -6.321 -6.822 1.00 3.34 H new ATOM 1707 N ASN A 116 -5.982 -7.949 -8.618 1.00 5.04 N ATOM 1708 CA ASN A 116 -6.259 -8.994 -9.598 1.00 73.11 C ATOM 1709 C ASN A 116 -5.530 -10.285 -9.238 1.00 35.13 C ATOM 1710 O ASN A 116 -5.003 -10.426 -8.133 1.00 13.23 O ATOM 1711 CB ASN A 116 -5.843 -8.533 -10.997 1.00 73.32 C ATOM 1712 CG ASN A 116 -6.884 -8.867 -12.048 1.00 54.31 C ATOM 1713 OD1 ASN A 116 -7.699 -9.771 -11.866 1.00 2.11 O ATOM 1714 ND2 ASN A 116 -6.861 -8.135 -13.155 1.00 12.32 N ATOM 0 H ASN A 116 -4.994 -7.719 -8.514 1.00 5.04 H new ATOM 0 HA ASN A 116 -7.331 -9.189 -9.591 1.00 73.11 H new ATOM 0 HB2 ASN A 116 -5.673 -7.456 -10.987 1.00 73.32 H new ATOM 0 HB3 ASN A 116 -4.896 -9.002 -11.265 1.00 73.32 H new ATOM 0 HD21 ASN A 116 -7.537 -8.312 -13.898 1.00 12.32 H new ATOM 0 HD22 ASN A 116 -6.167 -7.395 -13.263 1.00 12.32 H new ATOM 1720 N LEU A 117 -5.503 -11.224 -10.176 1.00 43.52 N ATOM 1721 CA LEU A 117 -4.837 -12.504 -9.960 1.00 62.12 C ATOM 1722 C LEU A 117 -3.723 -12.718 -10.979 1.00 12.31 C ATOM 1723 O LEU A 117 -3.472 -13.843 -11.412 1.00 31.13 O ATOM 1724 CB LEU A 117 -5.849 -13.648 -10.045 1.00 22.13 C ATOM 1725 CG LEU A 117 -7.134 -13.471 -9.235 1.00 14.24 C ATOM 1726 CD1 LEU A 117 -8.217 -14.408 -9.741 1.00 63.54 C ATOM 1727 CD2 LEU A 117 -6.868 -13.710 -7.755 1.00 13.43 C ATOM 0 H LEU A 117 -5.935 -11.124 -11.095 1.00 43.52 H new ATOM 0 HA LEU A 117 -4.394 -12.492 -8.964 1.00 62.12 H new ATOM 0 HB2 LEU A 117 -6.120 -13.790 -11.091 1.00 22.13 H new ATOM 0 HB3 LEU A 117 -5.359 -14.564 -9.716 1.00 22.13 H new ATOM 0 HG LEU A 117 -7.482 -12.446 -9.361 1.00 14.24 H new ATOM 0 HD11 LEU A 117 -9.124 -14.268 -9.152 1.00 63.54 H new ATOM 0 HD12 LEU A 117 -8.427 -14.190 -10.788 1.00 63.54 H new ATOM 0 HD13 LEU A 117 -7.879 -15.440 -9.646 1.00 63.54 H new ATOM 0 HD21 LEU A 117 -7.793 -13.580 -7.193 1.00 13.43 H new ATOM 0 HD22 LEU A 117 -6.496 -14.724 -7.611 1.00 13.43 H new ATOM 0 HD23 LEU A 117 -6.124 -12.997 -7.399 1.00 13.43 H new ATOM 1738 N ASP A 118 -3.057 -11.632 -11.357 1.00 20.32 N ATOM 1739 CA ASP A 118 -1.966 -11.702 -12.322 1.00 51.35 C ATOM 1740 C ASP A 118 -0.721 -11.003 -11.786 1.00 1.34 C ATOM 1741 O ASP A 118 -0.809 -9.938 -11.177 1.00 15.43 O ATOM 1742 CB ASP A 118 -2.391 -11.068 -13.648 1.00 22.22 C ATOM 1743 CG ASP A 118 -3.315 -11.964 -14.449 1.00 61.51 C ATOM 1744 OD1 ASP A 118 -3.057 -13.186 -14.503 1.00 72.32 O ATOM 1745 OD2 ASP A 118 -4.297 -11.445 -15.020 1.00 32.23 O ATOM 0 H ASP A 118 -3.254 -10.693 -11.010 1.00 20.32 H new ATOM 0 HA ASP A 118 -1.727 -12.752 -12.489 1.00 51.35 H new ATOM 0 HB2 ASP A 118 -2.891 -10.120 -13.450 1.00 22.22 H new ATOM 0 HB3 ASP A 118 -1.504 -10.843 -14.241 1.00 22.22 H new ATOM 1749 N ASN A 119 0.438 -11.612 -12.017 1.00 14.13 N ATOM 1750 CA ASN A 119 1.702 -11.049 -11.556 1.00 32.35 C ATOM 1751 C ASN A 119 2.357 -10.213 -12.651 1.00 52.43 C ATOM 1752 O ASN A 119 2.987 -9.193 -12.375 1.00 4.02 O ATOM 1753 CB ASN A 119 2.651 -12.166 -11.115 1.00 74.04 C ATOM 1754 CG ASN A 119 3.349 -12.827 -12.287 1.00 33.45 C ATOM 1755 OD1 ASN A 119 2.706 -13.268 -13.238 1.00 23.05 O ATOM 1756 ND2 ASN A 119 4.674 -12.898 -12.222 1.00 13.14 N ATOM 0 H ASN A 119 0.528 -12.495 -12.520 1.00 14.13 H new ATOM 0 HA ASN A 119 1.493 -10.401 -10.705 1.00 32.35 H new ATOM 0 HB2 ASN A 119 3.398 -11.757 -10.434 1.00 74.04 H new ATOM 0 HB3 ASN A 119 2.090 -12.917 -10.559 1.00 74.04 H new ATOM 0 HD21 ASN A 119 5.199 -13.332 -12.981 1.00 13.14 H new ATOM 0 HD22 ASN A 119 5.166 -12.519 -11.413 1.00 13.14 H new ATOM 1762 N ASN A 120 2.204 -10.653 -13.896 1.00 62.25 N ATOM 1763 CA ASN A 120 2.780 -9.945 -15.033 1.00 43.04 C ATOM 1764 C ASN A 120 1.972 -8.693 -15.361 1.00 44.45 C ATOM 1765 O ASN A 120 2.500 -7.727 -15.913 1.00 23.34 O ATOM 1766 CB ASN A 120 2.837 -10.864 -16.256 1.00 53.45 C ATOM 1767 CG ASN A 120 3.514 -12.186 -15.954 1.00 24.21 C ATOM 1768 OD1 ASN A 120 2.880 -13.241 -15.983 1.00 23.22 O ATOM 1769 ND2 ASN A 120 4.808 -12.135 -15.663 1.00 2.22 N ATOM 0 H ASN A 120 1.686 -11.496 -14.143 1.00 62.25 H new ATOM 0 HA ASN A 120 3.792 -9.642 -14.766 1.00 43.04 H new ATOM 0 HB2 ASN A 120 1.825 -11.051 -16.614 1.00 53.45 H new ATOM 0 HB3 ASN A 120 3.372 -10.360 -17.061 1.00 53.45 H new ATOM 0 HD21 ASN A 120 5.317 -12.993 -15.452 1.00 2.22 H new ATOM 0 HD22 ASN A 120 5.293 -11.238 -15.651 1.00 2.22 H new ATOM 1775 N SER A 121 0.688 -8.717 -15.018 1.00 13.44 N ATOM 1776 CA SER A 121 -0.194 -7.585 -15.279 1.00 30.50 C ATOM 1777 C SER A 121 -0.057 -6.527 -14.188 1.00 22.23 C ATOM 1778 O SER A 121 -0.193 -6.822 -13.000 1.00 71.45 O ATOM 1779 CB SER A 121 -1.647 -8.054 -15.370 1.00 0.02 C ATOM 1780 OG SER A 121 -1.816 -8.990 -16.421 1.00 34.34 O ATOM 0 H SER A 121 0.235 -9.507 -14.559 1.00 13.44 H new ATOM 0 HA SER A 121 0.097 -7.141 -16.231 1.00 30.50 H new ATOM 0 HB2 SER A 121 -1.946 -8.506 -14.424 1.00 0.02 H new ATOM 0 HB3 SER A 121 -2.300 -7.197 -15.534 1.00 0.02 H new ATOM 0 HG SER A 121 -2.753 -9.276 -16.457 1.00 34.34 H new ATOM 1785 N HIS A 122 0.215 -5.293 -14.600 1.00 11.13 N ATOM 1786 CA HIS A 122 0.371 -4.190 -13.658 1.00 40.33 C ATOM 1787 C HIS A 122 -0.987 -3.619 -13.260 1.00 23.44 C ATOM 1788 O HIS A 122 -1.956 -3.712 -14.013 1.00 61.40 O ATOM 1789 CB HIS A 122 1.239 -3.089 -14.269 1.00 2.21 C ATOM 1790 CG HIS A 122 0.515 -2.241 -15.269 1.00 11.23 C ATOM 1791 ND1 HIS A 122 -0.430 -2.743 -16.138 1.00 54.43 N ATOM 1792 CD2 HIS A 122 0.603 -0.916 -15.534 1.00 31.31 C ATOM 1793 CE1 HIS A 122 -0.892 -1.763 -16.895 1.00 44.12 C ATOM 1794 NE2 HIS A 122 -0.282 -0.645 -16.548 1.00 72.42 N ATOM 0 H HIS A 122 0.332 -5.032 -15.579 1.00 11.13 H new ATOM 0 HA HIS A 122 0.860 -4.575 -12.764 1.00 40.33 H new ATOM 0 HB2 HIS A 122 1.618 -2.451 -13.470 1.00 2.21 H new ATOM 0 HB3 HIS A 122 2.104 -3.545 -14.750 1.00 2.21 H new ATOM 0 HD2 HIS A 122 1.249 -0.205 -15.040 1.00 31.31 H new ATOM 0 HE1 HIS A 122 -1.641 -1.860 -17.667 1.00 44.12 H new ATOM 0 HE2 HIS A 122 -0.442 0.272 -16.966 1.00 72.42 H new ATOM 1801 N LYS A 123 -1.050 -3.030 -12.071 1.00 21.22 N ATOM 1802 CA LYS A 123 -2.288 -2.445 -11.571 1.00 33.22 C ATOM 1803 C LYS A 123 -2.034 -1.068 -10.967 1.00 35.14 C ATOM 1804 O LYS A 123 -1.610 -0.951 -9.817 1.00 20.54 O ATOM 1805 CB LYS A 123 -2.924 -3.363 -10.525 1.00 70.15 C ATOM 1806 CG LYS A 123 -4.240 -2.839 -9.975 1.00 13.31 C ATOM 1807 CD LYS A 123 -5.368 -2.999 -10.981 1.00 61.21 C ATOM 1808 CE LYS A 123 -6.345 -1.835 -10.914 1.00 14.34 C ATOM 1809 NZ LYS A 123 -7.759 -2.290 -11.013 1.00 34.24 N ATOM 0 H LYS A 123 -0.257 -2.945 -11.435 1.00 21.22 H new ATOM 0 HA LYS A 123 -2.973 -2.333 -12.412 1.00 33.22 H new ATOM 0 HB2 LYS A 123 -3.090 -4.345 -10.969 1.00 70.15 H new ATOM 0 HB3 LYS A 123 -2.224 -3.500 -9.701 1.00 70.15 H new ATOM 0 HG2 LYS A 123 -4.490 -3.373 -9.058 1.00 13.31 H new ATOM 0 HG3 LYS A 123 -4.132 -1.787 -9.712 1.00 13.31 H new ATOM 0 HD2 LYS A 123 -4.953 -3.069 -11.986 1.00 61.21 H new ATOM 0 HD3 LYS A 123 -5.898 -3.932 -10.789 1.00 61.21 H new ATOM 0 HE2 LYS A 123 -6.202 -1.295 -9.978 1.00 14.34 H new ATOM 0 HE3 LYS A 123 -6.132 -1.135 -11.722 1.00 14.34 H new ATOM 0 HZ1 LYS A 123 -8.393 -1.467 -10.963 1.00 34.24 H new ATOM 0 HZ2 LYS A 123 -7.902 -2.783 -11.917 1.00 34.24 H new ATOM 0 HZ3 LYS A 123 -7.971 -2.938 -10.228 1.00 34.24 H new ATOM 1819 N LYS A 124 -2.296 -0.026 -11.748 1.00 52.30 N ATOM 1820 CA LYS A 124 -2.098 1.344 -11.290 1.00 1.10 C ATOM 1821 C LYS A 124 -3.395 1.923 -10.733 1.00 54.34 C ATOM 1822 O LYS A 124 -4.391 2.037 -11.445 1.00 50.41 O ATOM 1823 CB LYS A 124 -1.588 2.219 -12.438 1.00 33.55 C ATOM 1824 CG LYS A 124 -1.326 3.660 -12.034 1.00 63.33 C ATOM 1825 CD LYS A 124 -0.873 4.497 -13.218 1.00 0.42 C ATOM 1826 CE LYS A 124 -1.942 4.561 -14.298 1.00 24.13 C ATOM 1827 NZ LYS A 124 -1.863 5.824 -15.082 1.00 4.34 N ATOM 0 H LYS A 124 -2.647 -0.104 -12.703 1.00 52.30 H new ATOM 0 HA LYS A 124 -1.354 1.331 -10.493 1.00 1.10 H new ATOM 0 HB2 LYS A 124 -0.668 1.788 -12.831 1.00 33.55 H new ATOM 0 HB3 LYS A 124 -2.318 2.204 -13.247 1.00 33.55 H new ATOM 0 HG2 LYS A 124 -2.233 4.090 -11.609 1.00 63.33 H new ATOM 0 HG3 LYS A 124 -0.564 3.688 -11.255 1.00 63.33 H new ATOM 0 HD2 LYS A 124 -0.634 5.506 -12.881 1.00 0.42 H new ATOM 0 HD3 LYS A 124 0.041 4.075 -13.635 1.00 0.42 H new ATOM 0 HE2 LYS A 124 -1.832 3.709 -14.969 1.00 24.13 H new ATOM 0 HE3 LYS A 124 -2.927 4.479 -13.839 1.00 24.13 H new ATOM 0 HZ1 LYS A 124 -2.608 5.829 -15.808 1.00 4.34 H new ATOM 0 HZ2 LYS A 124 -1.994 6.636 -14.446 1.00 4.34 H new ATOM 0 HZ3 LYS A 124 -0.932 5.890 -15.541 1.00 4.34 H new ATOM 1837 N ASN A 125 -3.373 2.289 -9.456 1.00 54.20 N ATOM 1838 CA ASN A 125 -4.547 2.858 -8.803 1.00 1.01 C ATOM 1839 C ASN A 125 -4.547 4.380 -8.915 1.00 75.12 C ATOM 1840 O ASN A 125 -3.534 5.031 -8.660 1.00 13.14 O ATOM 1841 CB ASN A 125 -4.590 2.443 -7.331 1.00 51.53 C ATOM 1842 CG ASN A 125 -4.454 0.944 -7.149 1.00 32.10 C ATOM 1843 OD1 ASN A 125 -4.500 0.183 -8.116 1.00 55.12 O ATOM 1844 ND2 ASN A 125 -4.284 0.513 -5.904 1.00 4.22 N ATOM 0 H ASN A 125 -2.555 2.202 -8.852 1.00 54.20 H new ATOM 0 HA ASN A 125 -5.434 2.474 -9.307 1.00 1.01 H new ATOM 0 HB2 ASN A 125 -3.788 2.946 -6.791 1.00 51.53 H new ATOM 0 HB3 ASN A 125 -5.529 2.776 -6.890 1.00 51.53 H new ATOM 0 HD21 ASN A 125 -4.185 -0.485 -5.719 1.00 4.22 H new ATOM 0 HD22 ASN A 125 -4.252 1.180 -5.133 1.00 4.22 H new ATOM 1850 N ILE A 126 -5.690 4.940 -9.296 1.00 20.11 N ATOM 1851 CA ILE A 126 -5.823 6.384 -9.439 1.00 11.41 C ATOM 1852 C ILE A 126 -5.302 7.109 -8.202 1.00 43.20 C ATOM 1853 O ILE A 126 -5.107 6.501 -7.149 1.00 41.34 O ATOM 1854 CB ILE A 126 -7.287 6.795 -9.682 1.00 64.21 C ATOM 1855 CG1 ILE A 126 -7.351 8.185 -10.315 1.00 54.14 C ATOM 1856 CG2 ILE A 126 -8.069 6.763 -8.378 1.00 71.34 C ATOM 1857 CD1 ILE A 126 -8.384 8.301 -11.415 1.00 14.44 C ATOM 0 H ILE A 126 -6.538 4.415 -9.511 1.00 20.11 H new ATOM 0 HA ILE A 126 -5.226 6.671 -10.305 1.00 11.41 H new ATOM 0 HB ILE A 126 -7.740 6.082 -10.371 1.00 64.21 H new ATOM 0 HG12 ILE A 126 -7.573 8.918 -9.540 1.00 54.14 H new ATOM 0 HG13 ILE A 126 -6.371 8.436 -10.720 1.00 54.14 H new ATOM 0 HG21 ILE A 126 -9.102 7.056 -8.566 1.00 71.34 H new ATOM 0 HG22 ILE A 126 -8.047 5.754 -7.965 1.00 71.34 H new ATOM 0 HG23 ILE A 126 -7.619 7.456 -7.667 1.00 71.34 H new ATOM 0 HD11 ILE A 126 -8.374 9.314 -11.818 1.00 14.44 H new ATOM 0 HD12 ILE A 126 -8.151 7.592 -12.209 1.00 14.44 H new ATOM 0 HD13 ILE A 126 -9.372 8.081 -11.011 1.00 14.44 H new ATOM 1868 N PHE A 127 -5.079 8.412 -8.338 1.00 13.23 N ATOM 1869 CA PHE A 127 -4.582 9.222 -7.231 1.00 23.35 C ATOM 1870 C PHE A 127 -5.314 8.880 -5.936 1.00 13.33 C ATOM 1871 O PHE A 127 -4.694 8.720 -4.885 1.00 12.33 O ATOM 1872 CB PHE A 127 -4.745 10.710 -7.546 1.00 71.41 C ATOM 1873 CG PHE A 127 -6.045 11.040 -8.220 1.00 71.44 C ATOM 1874 CD1 PHE A 127 -7.179 11.314 -7.472 1.00 74.55 C ATOM 1875 CD2 PHE A 127 -6.135 11.078 -9.602 1.00 73.41 C ATOM 1876 CE1 PHE A 127 -8.377 11.619 -8.089 1.00 63.42 C ATOM 1877 CE2 PHE A 127 -7.331 11.382 -10.225 1.00 1.24 C ATOM 1878 CZ PHE A 127 -8.453 11.653 -9.468 1.00 11.31 C ATOM 0 H PHE A 127 -5.234 8.930 -9.203 1.00 13.23 H new ATOM 0 HA PHE A 127 -3.523 9.001 -7.098 1.00 23.35 H new ATOM 0 HB2 PHE A 127 -4.670 11.280 -6.620 1.00 71.41 H new ATOM 0 HB3 PHE A 127 -3.922 11.030 -8.185 1.00 71.41 H new ATOM 0 HD1 PHE A 127 -7.126 11.289 -6.394 1.00 74.55 H new ATOM 0 HD2 PHE A 127 -5.260 10.868 -10.200 1.00 73.41 H new ATOM 0 HE1 PHE A 127 -9.253 11.831 -7.494 1.00 63.42 H new ATOM 0 HE2 PHE A 127 -7.387 11.407 -11.303 1.00 1.24 H new ATOM 0 HZ PHE A 127 -9.388 11.891 -9.953 1.00 11.31 H new ATOM 1887 N GLU A 128 -6.636 8.771 -6.022 1.00 33.01 N ATOM 1888 CA GLU A 128 -7.452 8.451 -4.857 1.00 21.51 C ATOM 1889 C GLU A 128 -7.360 9.556 -3.808 1.00 23.42 C ATOM 1890 O GLU A 128 -8.273 10.369 -3.665 1.00 71.34 O ATOM 1891 CB GLU A 128 -7.011 7.118 -4.249 1.00 61.43 C ATOM 1892 CG GLU A 128 -7.952 5.966 -4.560 1.00 50.01 C ATOM 1893 CD GLU A 128 -7.245 4.798 -5.220 1.00 50.14 C ATOM 1894 OE1 GLU A 128 -6.118 4.469 -4.795 1.00 12.40 O ATOM 1895 OE2 GLU A 128 -7.819 4.213 -6.162 1.00 61.53 O ATOM 0 H GLU A 128 -7.164 8.899 -6.885 1.00 33.01 H new ATOM 0 HA GLU A 128 -8.489 8.369 -5.183 1.00 21.51 H new ATOM 0 HB2 GLU A 128 -6.015 6.872 -4.617 1.00 61.43 H new ATOM 0 HB3 GLU A 128 -6.932 7.230 -3.168 1.00 61.43 H new ATOM 0 HG2 GLU A 128 -8.423 5.627 -3.637 1.00 50.01 H new ATOM 0 HG3 GLU A 128 -8.750 6.319 -5.213 1.00 50.01 H new ATOM 1900 N LYS A 129 -6.252 9.579 -3.076 1.00 24.33 N ATOM 1901 CA LYS A 129 -6.038 10.583 -2.040 1.00 62.52 C ATOM 1902 C LYS A 129 -4.697 11.285 -2.231 1.00 45.23 C ATOM 1903 O LYS A 129 -3.753 11.089 -1.467 1.00 51.23 O ATOM 1904 CB LYS A 129 -6.094 9.935 -0.655 1.00 71.33 C ATOM 1905 CG LYS A 129 -7.501 9.817 -0.095 1.00 2.10 C ATOM 1906 CD LYS A 129 -7.915 11.079 0.645 1.00 2.43 C ATOM 1907 CE LYS A 129 -9.352 10.991 1.135 1.00 42.12 C ATOM 1908 NZ LYS A 129 -9.426 10.837 2.613 1.00 34.41 N ATOM 0 H LYS A 129 -5.487 8.913 -3.181 1.00 24.33 H new ATOM 0 HA LYS A 129 -6.831 11.326 -2.119 1.00 62.52 H new ATOM 0 HB2 LYS A 129 -5.649 8.941 -0.710 1.00 71.33 H new ATOM 0 HB3 LYS A 129 -5.485 10.519 0.035 1.00 71.33 H new ATOM 0 HG2 LYS A 129 -8.202 9.624 -0.907 1.00 2.10 H new ATOM 0 HG3 LYS A 129 -7.554 8.964 0.581 1.00 2.10 H new ATOM 0 HD2 LYS A 129 -7.249 11.240 1.493 1.00 2.43 H new ATOM 0 HD3 LYS A 129 -7.806 11.941 -0.014 1.00 2.43 H new ATOM 0 HE2 LYS A 129 -9.893 11.889 0.836 1.00 42.12 H new ATOM 0 HE3 LYS A 129 -9.848 10.146 0.657 1.00 42.12 H new ATOM 0 HZ1 LYS A 129 -10.422 10.781 2.907 1.00 34.41 H new ATOM 0 HZ2 LYS A 129 -8.932 9.967 2.897 1.00 34.41 H new ATOM 0 HZ3 LYS A 129 -8.976 11.656 3.070 1.00 34.41 H new ATOM 1918 N PRO A 130 -4.612 12.124 -3.275 1.00 35.34 N ATOM 1919 CA PRO A 130 -3.392 12.874 -3.588 1.00 43.32 C ATOM 1920 C PRO A 130 -3.101 13.964 -2.562 1.00 24.13 C ATOM 1921 O PRO A 130 -3.996 14.708 -2.161 1.00 3.34 O ATOM 1922 CB PRO A 130 -3.698 13.493 -4.954 1.00 54.34 C ATOM 1923 CG PRO A 130 -5.184 13.585 -5.003 1.00 52.34 C ATOM 1924 CD PRO A 130 -5.699 12.405 -4.227 1.00 34.00 C ATOM 0 HA PRO A 130 -2.508 12.236 -3.582 1.00 43.32 H new ATOM 0 HB2 PRO A 130 -3.237 14.475 -5.056 1.00 54.34 H new ATOM 0 HB3 PRO A 130 -3.313 12.874 -5.764 1.00 54.34 H new ATOM 0 HG2 PRO A 130 -5.531 14.521 -4.566 1.00 52.34 H new ATOM 0 HG3 PRO A 130 -5.542 13.562 -6.032 1.00 52.34 H new ATOM 0 HD2 PRO A 130 -6.632 12.637 -3.714 1.00 34.00 H new ATOM 0 HD3 PRO A 130 -5.896 11.552 -4.876 1.00 34.00 H new ATOM 1929 N PHE A 131 -1.844 14.052 -2.140 1.00 5.42 N ATOM 1930 CA PHE A 131 -1.435 15.051 -1.160 1.00 33.40 C ATOM 1931 C PHE A 131 -0.007 14.796 -0.686 1.00 73.43 C ATOM 1932 O PHE A 131 0.603 13.787 -1.037 1.00 0.41 O ATOM 1933 CB PHE A 131 -2.390 15.043 0.036 1.00 13.51 C ATOM 1934 CG PHE A 131 -3.233 16.283 0.138 1.00 45.44 C ATOM 1935 CD1 PHE A 131 -2.648 17.538 0.114 1.00 52.13 C ATOM 1936 CD2 PHE A 131 -4.610 16.192 0.256 1.00 45.13 C ATOM 1937 CE1 PHE A 131 -3.421 18.681 0.206 1.00 32.10 C ATOM 1938 CE2 PHE A 131 -5.389 17.330 0.348 1.00 14.31 C ATOM 1939 CZ PHE A 131 -4.793 18.576 0.325 1.00 43.24 C ATOM 0 H PHE A 131 -1.091 13.444 -2.461 1.00 5.42 H new ATOM 0 HA PHE A 131 -1.471 16.029 -1.639 1.00 33.40 H new ATOM 0 HB2 PHE A 131 -3.044 14.174 -0.037 1.00 13.51 H new ATOM 0 HB3 PHE A 131 -1.811 14.930 0.953 1.00 13.51 H new ATOM 0 HD1 PHE A 131 -1.575 17.625 0.022 1.00 52.13 H new ATOM 0 HD2 PHE A 131 -5.081 15.220 0.276 1.00 45.13 H new ATOM 0 HE1 PHE A 131 -2.953 19.654 0.185 1.00 32.10 H new ATOM 0 HE2 PHE A 131 -6.462 17.245 0.438 1.00 14.31 H new ATOM 0 HZ PHE A 131 -5.399 19.467 0.400 1.00 43.24 H new ATOM 1948 N MET A 132 0.518 15.719 0.114 1.00 3.24 N ATOM 1949 CA MET A 132 1.874 15.594 0.636 1.00 63.41 C ATOM 1950 C MET A 132 1.997 14.372 1.542 1.00 52.13 C ATOM 1951 O MET A 132 1.164 14.153 2.420 1.00 72.12 O ATOM 1952 CB MET A 132 2.265 16.856 1.407 1.00 60.30 C ATOM 1953 CG MET A 132 1.310 17.197 2.540 1.00 2.01 C ATOM 1954 SD MET A 132 0.980 18.965 2.663 1.00 64.22 S ATOM 1955 CE MET A 132 0.224 19.279 1.070 1.00 54.52 C ATOM 0 H MET A 132 0.026 16.560 0.414 1.00 3.24 H new ATOM 0 HA MET A 132 2.552 15.468 -0.208 1.00 63.41 H new ATOM 0 HB2 MET A 132 3.268 16.727 1.815 1.00 60.30 H new ATOM 0 HB3 MET A 132 2.308 17.696 0.714 1.00 60.30 H new ATOM 0 HG2 MET A 132 0.370 16.666 2.390 1.00 2.01 H new ATOM 0 HG3 MET A 132 1.729 16.843 3.482 1.00 2.01 H new ATOM 0 HE1 MET A 132 0.733 20.111 0.583 1.00 54.52 H new ATOM 0 HE2 MET A 132 0.306 18.389 0.446 1.00 54.52 H new ATOM 0 HE3 MET A 132 -0.828 19.528 1.209 1.00 54.52 H new ATOM 1963 N ALA A 133 3.041 13.580 1.322 1.00 10.24 N ATOM 1964 CA ALA A 133 3.274 12.383 2.120 1.00 64.25 C ATOM 1965 C ALA A 133 4.758 12.200 2.417 1.00 73.32 C ATOM 1966 O ALA A 133 5.611 12.541 1.597 1.00 21.14 O ATOM 1967 CB ALA A 133 2.722 11.158 1.404 1.00 33.41 C ATOM 0 H ALA A 133 3.739 13.746 0.597 1.00 10.24 H new ATOM 0 HA ALA A 133 2.753 12.502 3.070 1.00 64.25 H new ATOM 0 HB1 ALA A 133 2.902 10.270 2.010 1.00 33.41 H new ATOM 0 HB2 ALA A 133 1.650 11.280 1.249 1.00 33.41 H new ATOM 0 HB3 ALA A 133 3.218 11.046 0.440 1.00 33.41 H new ATOM 1973 N ARG A 134 5.059 11.662 3.594 1.00 53.02 N ATOM 1974 CA ARG A 134 6.441 11.437 4.000 1.00 32.41 C ATOM 1975 C ARG A 134 6.738 9.945 4.113 1.00 4.12 C ATOM 1976 O ARG A 134 7.876 9.512 3.927 1.00 43.15 O ATOM 1977 CB ARG A 134 6.720 12.126 5.338 1.00 10.23 C ATOM 1978 CG ARG A 134 7.818 13.175 5.265 1.00 52.41 C ATOM 1979 CD ARG A 134 9.194 12.536 5.158 1.00 30.33 C ATOM 1980 NE ARG A 134 9.408 11.522 6.188 1.00 41.45 N ATOM 1981 CZ ARG A 134 9.758 11.805 7.437 1.00 54.24 C ATOM 1982 NH1 ARG A 134 9.934 13.067 7.809 1.00 22.43 N ATOM 1983 NH2 ARG A 134 9.933 10.829 8.316 1.00 31.44 N ATOM 0 H ARG A 134 4.365 11.374 4.283 1.00 53.02 H new ATOM 0 HA ARG A 134 7.092 11.863 3.236 1.00 32.41 H new ATOM 0 HB2 ARG A 134 5.803 12.596 5.693 1.00 10.23 H new ATOM 0 HB3 ARG A 134 6.998 11.372 6.075 1.00 10.23 H new ATOM 0 HG2 ARG A 134 7.648 13.822 4.404 1.00 52.41 H new ATOM 0 HG3 ARG A 134 7.778 13.808 6.152 1.00 52.41 H new ATOM 0 HD2 ARG A 134 9.307 12.082 4.173 1.00 30.33 H new ATOM 0 HD3 ARG A 134 9.960 13.307 5.244 1.00 30.33 H new ATOM 0 HE ARG A 134 9.281 10.542 5.933 1.00 41.45 H new ATOM 0 HH11 ARG A 134 9.800 13.821 7.135 1.00 22.43 H new ATOM 0 HH12 ARG A 134 10.203 13.283 8.769 1.00 22.43 H new ATOM 0 HH21 ARG A 134 9.799 9.858 8.034 1.00 31.44 H new ATOM 0 HH22 ARG A 134 10.202 11.049 9.275 1.00 31.44 H new ATOM 1994 N TYR A 135 5.709 9.164 4.419 1.00 23.12 N ATOM 1995 CA TYR A 135 5.860 7.721 4.560 1.00 65.22 C ATOM 1996 C TYR A 135 4.508 7.019 4.461 1.00 11.14 C ATOM 1997 O TYR A 135 3.552 7.388 5.143 1.00 10.21 O ATOM 1998 CB TYR A 135 6.526 7.383 5.895 1.00 72.03 C ATOM 1999 CG TYR A 135 5.764 6.364 6.711 1.00 23.15 C ATOM 2000 CD1 TYR A 135 5.816 5.012 6.393 1.00 61.44 C ATOM 2001 CD2 TYR A 135 4.994 6.751 7.801 1.00 5.13 C ATOM 2002 CE1 TYR A 135 5.121 4.076 7.135 1.00 53.54 C ATOM 2003 CE2 TYR A 135 4.298 5.822 8.549 1.00 75.10 C ATOM 2004 CZ TYR A 135 4.363 4.487 8.212 1.00 23.35 C ATOM 2005 OH TYR A 135 3.671 3.557 8.955 1.00 50.11 O ATOM 0 H TYR A 135 4.761 9.506 4.574 1.00 23.12 H new ATOM 0 HA TYR A 135 6.494 7.367 3.747 1.00 65.22 H new ATOM 0 HB2 TYR A 135 7.531 7.006 5.705 1.00 72.03 H new ATOM 0 HB3 TYR A 135 6.634 8.297 6.479 1.00 72.03 H new ATOM 0 HD1 TYR A 135 6.410 4.687 5.551 1.00 61.44 H new ATOM 0 HD2 TYR A 135 4.939 7.796 8.068 1.00 5.13 H new ATOM 0 HE1 TYR A 135 5.171 3.029 6.873 1.00 53.54 H new ATOM 0 HE2 TYR A 135 3.705 6.140 9.394 1.00 75.10 H new ATOM 0 HH TYR A 135 3.188 4.009 9.678 1.00 50.11 H new ATOM 2014 N VAL A 136 4.438 6.003 3.607 1.00 23.21 N ATOM 2015 CA VAL A 136 3.205 5.247 3.419 1.00 1.13 C ATOM 2016 C VAL A 136 3.352 3.819 3.933 1.00 10.21 C ATOM 2017 O VAL A 136 4.423 3.220 3.834 1.00 64.44 O ATOM 2018 CB VAL A 136 2.792 5.207 1.935 1.00 21.41 C ATOM 2019 CG1 VAL A 136 2.870 6.596 1.321 1.00 23.00 C ATOM 2020 CG2 VAL A 136 3.664 4.226 1.167 1.00 25.43 C ATOM 0 H VAL A 136 5.220 5.684 3.035 1.00 23.21 H new ATOM 0 HA VAL A 136 2.430 5.758 3.991 1.00 1.13 H new ATOM 0 HB VAL A 136 1.759 4.866 1.872 1.00 21.41 H new ATOM 0 HG11 VAL A 136 2.575 6.548 0.273 1.00 23.00 H new ATOM 0 HG12 VAL A 136 2.200 7.269 1.856 1.00 23.00 H new ATOM 0 HG13 VAL A 136 3.892 6.969 1.393 1.00 23.00 H new ATOM 0 HG21 VAL A 136 3.359 4.210 0.121 1.00 25.43 H new ATOM 0 HG22 VAL A 136 4.707 4.535 1.236 1.00 25.43 H new ATOM 0 HG23 VAL A 136 3.552 3.229 1.593 1.00 25.43 H new ATOM 2030 N ARG A 137 2.268 3.280 4.483 1.00 11.05 N ATOM 2031 CA ARG A 137 2.277 1.922 5.014 1.00 34.11 C ATOM 2032 C ARG A 137 1.145 1.096 4.412 1.00 63.34 C ATOM 2033 O ARG A 137 0.023 1.581 4.257 1.00 30.22 O ATOM 2034 CB ARG A 137 2.150 1.947 6.538 1.00 34.13 C ATOM 2035 CG ARG A 137 2.791 0.751 7.222 1.00 60.44 C ATOM 2036 CD ARG A 137 2.049 0.374 8.496 1.00 3.52 C ATOM 2037 NE ARG A 137 2.908 -0.338 9.438 1.00 64.42 N ATOM 2038 CZ ARG A 137 2.444 -1.063 10.451 1.00 13.20 C ATOM 2039 NH1 ARG A 137 1.138 -1.170 10.650 1.00 74.41 N ATOM 2040 NH2 ARG A 137 3.289 -1.681 11.267 1.00 44.01 N ATOM 0 H ARG A 137 1.374 3.762 4.572 1.00 11.05 H new ATOM 0 HA ARG A 137 3.226 1.459 4.743 1.00 34.11 H new ATOM 0 HB2 ARG A 137 2.608 2.860 6.917 1.00 34.13 H new ATOM 0 HB3 ARG A 137 1.094 1.985 6.806 1.00 34.13 H new ATOM 0 HG2 ARG A 137 2.799 -0.099 6.539 1.00 60.44 H new ATOM 0 HG3 ARG A 137 3.830 0.980 7.459 1.00 60.44 H new ATOM 0 HD2 ARG A 137 1.660 1.276 8.970 1.00 3.52 H new ATOM 0 HD3 ARG A 137 1.191 -0.250 8.245 1.00 3.52 H new ATOM 0 HE ARG A 137 3.918 -0.276 9.312 1.00 64.42 H new ATOM 0 HH11 ARG A 137 0.486 -0.695 10.025 1.00 74.41 H new ATOM 0 HH12 ARG A 137 0.785 -1.727 11.428 1.00 74.41 H new ATOM 0 HH21 ARG A 137 4.295 -1.600 11.117 1.00 44.01 H new ATOM 0 HH22 ARG A 137 2.933 -2.237 12.044 1.00 44.01 H new ATOM 2051 N VAL A 138 1.444 -0.154 4.074 1.00 32.45 N ATOM 2052 CA VAL A 138 0.452 -1.048 3.490 1.00 42.21 C ATOM 2053 C VAL A 138 0.332 -2.337 4.295 1.00 51.30 C ATOM 2054 O VAL A 138 1.321 -2.846 4.823 1.00 30.52 O ATOM 2055 CB VAL A 138 0.801 -1.397 2.031 1.00 33.11 C ATOM 2056 CG1 VAL A 138 0.237 -0.351 1.082 1.00 62.20 C ATOM 2057 CG2 VAL A 138 2.306 -1.526 1.860 1.00 3.34 C ATOM 0 H VAL A 138 2.367 -0.571 4.195 1.00 32.45 H new ATOM 0 HA VAL A 138 -0.501 -0.520 3.511 1.00 42.21 H new ATOM 0 HB VAL A 138 0.347 -2.357 1.787 1.00 33.11 H new ATOM 0 HG11 VAL A 138 0.494 -0.614 0.056 1.00 62.20 H new ATOM 0 HG12 VAL A 138 -0.847 -0.312 1.186 1.00 62.20 H new ATOM 0 HG13 VAL A 138 0.660 0.624 1.323 1.00 62.20 H new ATOM 0 HG21 VAL A 138 2.535 -1.773 0.823 1.00 3.34 H new ATOM 0 HG22 VAL A 138 2.784 -0.582 2.122 1.00 3.34 H new ATOM 0 HG23 VAL A 138 2.680 -2.316 2.512 1.00 3.34 H new ATOM 2067 N LEU A 139 -0.885 -2.861 4.384 1.00 72.15 N ATOM 2068 CA LEU A 139 -1.135 -4.093 5.124 1.00 61.34 C ATOM 2069 C LEU A 139 -1.966 -5.067 4.295 1.00 24.40 C ATOM 2070 O LEU A 139 -3.132 -4.821 3.986 1.00 52.33 O ATOM 2071 CB LEU A 139 -1.854 -3.784 6.439 1.00 34.03 C ATOM 2072 CG LEU A 139 -2.498 -4.975 7.149 1.00 4.11 C ATOM 2073 CD1 LEU A 139 -1.437 -5.976 7.582 1.00 10.21 C ATOM 2074 CD2 LEU A 139 -3.312 -4.507 8.346 1.00 55.22 C ATOM 0 H LEU A 139 -1.714 -2.452 3.953 1.00 72.15 H new ATOM 0 HA LEU A 139 -0.174 -4.558 5.342 1.00 61.34 H new ATOM 0 HB2 LEU A 139 -1.139 -3.324 7.121 1.00 34.03 H new ATOM 0 HB3 LEU A 139 -2.628 -3.043 6.241 1.00 34.03 H new ATOM 0 HG LEU A 139 -3.171 -5.470 6.449 1.00 4.11 H new ATOM 0 HD11 LEU A 139 -1.914 -6.817 8.086 1.00 10.21 H new ATOM 0 HD12 LEU A 139 -0.898 -6.336 6.706 1.00 10.21 H new ATOM 0 HD13 LEU A 139 -0.738 -5.493 8.265 1.00 10.21 H new ATOM 0 HD21 LEU A 139 -3.763 -5.368 8.839 1.00 55.22 H new ATOM 0 HD22 LEU A 139 -2.660 -3.987 9.048 1.00 55.22 H new ATOM 0 HD23 LEU A 139 -4.097 -3.830 8.010 1.00 55.22 H new ATOM 2085 N PRO A 140 -1.354 -6.203 3.928 1.00 41.13 N ATOM 2086 CA PRO A 140 -2.019 -7.239 3.133 1.00 62.01 C ATOM 2087 C PRO A 140 -3.107 -7.964 3.918 1.00 50.34 C ATOM 2088 O PRO A 140 -2.968 -8.198 5.118 1.00 32.41 O ATOM 2089 CB PRO A 140 -0.882 -8.202 2.781 1.00 74.02 C ATOM 2090 CG PRO A 140 0.123 -8.011 3.864 1.00 15.15 C ATOM 2091 CD PRO A 140 0.034 -6.563 4.262 1.00 21.21 C ATOM 0 HA PRO A 140 -2.527 -6.821 2.264 1.00 62.01 H new ATOM 0 HB2 PRO A 140 -1.233 -9.233 2.744 1.00 74.02 H new ATOM 0 HB3 PRO A 140 -0.458 -7.974 1.803 1.00 74.02 H new ATOM 0 HG2 PRO A 140 -0.089 -8.662 4.712 1.00 15.15 H new ATOM 0 HG3 PRO A 140 1.125 -8.259 3.514 1.00 15.15 H new ATOM 0 HD2 PRO A 140 0.241 -6.424 5.323 1.00 21.21 H new ATOM 0 HD3 PRO A 140 0.751 -5.951 3.715 1.00 21.21 H new ATOM 2096 N VAL A 141 -4.190 -8.317 3.233 1.00 44.10 N ATOM 2097 CA VAL A 141 -5.301 -9.017 3.865 1.00 33.32 C ATOM 2098 C VAL A 141 -5.647 -10.296 3.111 1.00 51.12 C ATOM 2099 O VAL A 141 -5.911 -11.334 3.717 1.00 2.43 O ATOM 2100 CB VAL A 141 -6.554 -8.126 3.944 1.00 52.11 C ATOM 2101 CG1 VAL A 141 -7.705 -8.878 4.595 1.00 44.52 C ATOM 2102 CG2 VAL A 141 -6.249 -6.843 4.703 1.00 31.33 C ATOM 0 H VAL A 141 -4.321 -8.129 2.239 1.00 44.10 H new ATOM 0 HA VAL A 141 -4.980 -9.271 4.875 1.00 33.32 H new ATOM 0 HB VAL A 141 -6.852 -7.860 2.930 1.00 52.11 H new ATOM 0 HG11 VAL A 141 -8.582 -8.232 4.642 1.00 44.52 H new ATOM 0 HG12 VAL A 141 -7.939 -9.765 4.006 1.00 44.52 H new ATOM 0 HG13 VAL A 141 -7.420 -9.177 5.604 1.00 44.52 H new ATOM 0 HG21 VAL A 141 -7.146 -6.225 4.749 1.00 31.33 H new ATOM 0 HG22 VAL A 141 -5.924 -7.087 5.714 1.00 31.33 H new ATOM 0 HG23 VAL A 141 -5.458 -6.296 4.190 1.00 31.33 H new ATOM 2112 N SER A 142 -5.643 -10.213 1.784 1.00 33.21 N ATOM 2113 CA SER A 142 -5.959 -11.362 0.945 1.00 25.23 C ATOM 2114 C SER A 142 -4.981 -11.471 -0.221 1.00 35.21 C ATOM 2115 O SER A 142 -4.903 -10.578 -1.064 1.00 31.01 O ATOM 2116 CB SER A 142 -7.391 -11.256 0.415 1.00 34.53 C ATOM 2117 OG SER A 142 -8.251 -10.685 1.385 1.00 75.32 O ATOM 0 H SER A 142 -5.424 -9.361 1.267 1.00 33.21 H new ATOM 0 HA SER A 142 -5.870 -12.260 1.556 1.00 25.23 H new ATOM 0 HB2 SER A 142 -7.403 -10.648 -0.490 1.00 34.53 H new ATOM 0 HB3 SER A 142 -7.755 -12.246 0.139 1.00 34.53 H new ATOM 0 HG SER A 142 -9.160 -10.626 1.023 1.00 75.32 H new ATOM 2122 N TRP A 143 -4.236 -12.570 -0.259 1.00 61.13 N ATOM 2123 CA TRP A 143 -3.262 -12.796 -1.321 1.00 73.44 C ATOM 2124 C TRP A 143 -3.553 -14.099 -2.059 1.00 14.21 C ATOM 2125 O TRP A 143 -4.502 -14.811 -1.730 1.00 41.02 O ATOM 2126 CB TRP A 143 -1.846 -12.828 -0.743 1.00 40.14 C ATOM 2127 CG TRP A 143 -1.611 -13.975 0.192 1.00 61.12 C ATOM 2128 CD1 TRP A 143 -0.941 -15.133 -0.083 1.00 45.21 C ATOM 2129 CD2 TRP A 143 -2.049 -14.075 1.551 1.00 31.44 C ATOM 2130 NE1 TRP A 143 -0.934 -15.947 1.024 1.00 63.34 N ATOM 2131 CE2 TRP A 143 -1.607 -15.320 2.040 1.00 25.53 C ATOM 2132 CE3 TRP A 143 -2.768 -13.235 2.404 1.00 61.03 C ATOM 2133 CZ2 TRP A 143 -1.864 -15.743 3.342 1.00 13.05 C ATOM 2134 CZ3 TRP A 143 -3.022 -13.654 3.696 1.00 3.22 C ATOM 2135 CH2 TRP A 143 -2.570 -14.899 4.156 1.00 44.24 C ATOM 0 H TRP A 143 -4.288 -13.318 0.433 1.00 61.13 H new ATOM 0 HA TRP A 143 -3.339 -11.973 -2.032 1.00 73.44 H new ATOM 0 HB2 TRP A 143 -1.128 -12.883 -1.562 1.00 40.14 H new ATOM 0 HB3 TRP A 143 -1.656 -11.894 -0.215 1.00 40.14 H new ATOM 0 HD1 TRP A 143 -0.484 -15.374 -1.031 1.00 45.21 H new ATOM 0 HE1 TRP A 143 -0.499 -16.868 1.080 1.00 63.34 H new ATOM 0 HE3 TRP A 143 -3.120 -12.274 2.060 1.00 61.03 H new ATOM 0 HZ2 TRP A 143 -1.518 -16.703 3.697 1.00 13.05 H new ATOM 0 HZ3 TRP A 143 -3.578 -13.012 4.363 1.00 3.22 H new ATOM 0 HH2 TRP A 143 -2.783 -15.198 5.172 1.00 44.24 H new ATOM 2145 N HIS A 144 -2.731 -14.404 -3.058 1.00 33.11 N ATOM 2146 CA HIS A 144 -2.901 -15.623 -3.841 1.00 12.54 C ATOM 2147 C HIS A 144 -1.572 -16.356 -4.000 1.00 34.42 C ATOM 2148 O HIS A 144 -0.606 -15.804 -4.522 1.00 14.24 O ATOM 2149 CB HIS A 144 -3.481 -15.292 -5.217 1.00 0.32 C ATOM 2150 CG HIS A 144 -4.753 -16.021 -5.521 1.00 22.50 C ATOM 2151 ND1 HIS A 144 -5.010 -16.609 -6.742 1.00 21.22 N ATOM 2152 CD2 HIS A 144 -5.843 -16.257 -4.754 1.00 62.10 C ATOM 2153 CE1 HIS A 144 -6.204 -17.174 -6.713 1.00 73.15 C ATOM 2154 NE2 HIS A 144 -6.730 -16.975 -5.518 1.00 50.02 N ATOM 0 H HIS A 144 -1.942 -13.825 -3.344 1.00 33.11 H new ATOM 0 HA HIS A 144 -3.594 -16.275 -3.309 1.00 12.54 H new ATOM 0 HB2 HIS A 144 -3.663 -14.219 -5.277 1.00 0.32 H new ATOM 0 HB3 HIS A 144 -2.742 -15.533 -5.981 1.00 0.32 H new ATOM 0 HD2 HIS A 144 -5.988 -15.940 -3.732 1.00 62.10 H new ATOM 0 HE1 HIS A 144 -6.670 -17.708 -7.528 1.00 73.15 H new ATOM 0 HE2 HIS A 144 -7.647 -17.302 -5.212 1.00 50.02 H new ATOM 2161 N ASN A 145 -1.533 -17.604 -3.541 1.00 40.52 N ATOM 2162 CA ASN A 145 -0.323 -18.413 -3.630 1.00 42.22 C ATOM 2163 C ASN A 145 0.689 -17.997 -2.568 1.00 35.41 C ATOM 2164 O ASN A 145 1.132 -18.817 -1.763 1.00 52.10 O ATOM 2165 CB ASN A 145 0.301 -18.283 -5.022 1.00 63.45 C ATOM 2166 CG ASN A 145 -0.743 -18.224 -6.121 1.00 61.51 C ATOM 2167 OD1 ASN A 145 -0.866 -17.220 -6.822 1.00 72.43 O ATOM 2168 ND2 ASN A 145 -1.502 -19.304 -6.274 1.00 3.41 N ATOM 0 H ASN A 145 -2.325 -18.076 -3.104 1.00 40.52 H new ATOM 0 HA ASN A 145 -0.598 -19.453 -3.457 1.00 42.22 H new ATOM 0 HB2 ASN A 145 0.915 -17.383 -5.059 1.00 63.45 H new ATOM 0 HB3 ASN A 145 0.965 -19.129 -5.200 1.00 63.45 H new ATOM 0 HD21 ASN A 145 -2.222 -19.323 -6.996 1.00 3.41 H new ATOM 0 HD22 ASN A 145 -1.364 -20.114 -5.669 1.00 3.41 H new ATOM 2174 N ARG A 146 1.050 -16.717 -2.570 1.00 22.41 N ATOM 2175 CA ARG A 146 2.009 -16.193 -1.606 1.00 31.12 C ATOM 2176 C ARG A 146 2.109 -14.673 -1.709 1.00 3.20 C ATOM 2177 O ARG A 146 1.915 -14.101 -2.782 1.00 61.14 O ATOM 2178 CB ARG A 146 3.387 -16.821 -1.830 1.00 65.15 C ATOM 2179 CG ARG A 146 3.972 -17.466 -0.585 1.00 2.02 C ATOM 2180 CD ARG A 146 4.654 -16.441 0.305 1.00 75.24 C ATOM 2181 NE ARG A 146 5.625 -17.056 1.206 1.00 42.01 N ATOM 2182 CZ ARG A 146 6.781 -17.570 0.800 1.00 45.21 C ATOM 2183 NH1 ARG A 146 7.108 -17.541 -0.484 1.00 64.21 N ATOM 2184 NH2 ARG A 146 7.612 -18.114 1.680 1.00 2.31 N ATOM 0 H ARG A 146 0.692 -16.025 -3.228 1.00 22.41 H new ATOM 0 HA ARG A 146 1.658 -16.451 -0.607 1.00 31.12 H new ATOM 0 HB2 ARG A 146 3.311 -17.572 -2.616 1.00 65.15 H new ATOM 0 HB3 ARG A 146 4.073 -16.053 -2.188 1.00 65.15 H new ATOM 0 HG2 ARG A 146 3.180 -17.965 -0.026 1.00 2.02 H new ATOM 0 HG3 ARG A 146 4.690 -18.233 -0.875 1.00 2.02 H new ATOM 0 HD2 ARG A 146 5.156 -15.699 -0.316 1.00 75.24 H new ATOM 0 HD3 ARG A 146 3.902 -15.912 0.890 1.00 75.24 H new ATOM 0 HE ARG A 146 5.404 -17.093 2.201 1.00 42.01 H new ATOM 0 HH11 ARG A 146 6.472 -17.123 -1.163 1.00 64.21 H new ATOM 0 HH12 ARG A 146 7.996 -17.936 -0.793 1.00 64.21 H new ATOM 0 HH21 ARG A 146 7.364 -18.138 2.669 1.00 2.31 H new ATOM 0 HH22 ARG A 146 8.499 -18.508 1.367 1.00 2.31 H new ATOM 2195 N ILE A 147 2.412 -14.028 -0.588 1.00 52.43 N ATOM 2196 CA ILE A 147 2.536 -12.576 -0.554 1.00 2.24 C ATOM 2197 C ILE A 147 3.791 -12.115 -1.288 1.00 14.31 C ATOM 2198 O ILE A 147 4.793 -11.759 -0.666 1.00 53.34 O ATOM 2199 CB ILE A 147 2.579 -12.049 0.893 1.00 62.04 C ATOM 2200 CG1 ILE A 147 1.306 -12.449 1.641 1.00 73.31 C ATOM 2201 CG2 ILE A 147 2.751 -10.537 0.901 1.00 64.12 C ATOM 2202 CD1 ILE A 147 1.373 -13.833 2.249 1.00 22.13 C ATOM 0 H ILE A 147 2.576 -14.487 0.308 1.00 52.43 H new ATOM 0 HA ILE A 147 1.656 -12.172 -1.054 1.00 2.24 H new ATOM 0 HB ILE A 147 3.433 -12.495 1.402 1.00 62.04 H new ATOM 0 HG12 ILE A 147 1.115 -11.723 2.431 1.00 73.31 H new ATOM 0 HG13 ILE A 147 0.461 -12.403 0.954 1.00 73.31 H new ATOM 0 HG21 ILE A 147 2.780 -10.180 1.930 1.00 64.12 H new ATOM 0 HG22 ILE A 147 3.682 -10.274 0.400 1.00 64.12 H new ATOM 0 HG23 ILE A 147 1.914 -10.073 0.379 1.00 64.12 H new ATOM 0 HD11 ILE A 147 0.437 -14.050 2.764 1.00 22.13 H new ATOM 0 HD12 ILE A 147 1.533 -14.569 1.461 1.00 22.13 H new ATOM 0 HD13 ILE A 147 2.197 -13.878 2.961 1.00 22.13 H new ATOM 2213 N THR A 148 3.730 -12.122 -2.616 1.00 31.25 N ATOM 2214 CA THR A 148 4.861 -11.704 -3.435 1.00 71.15 C ATOM 2215 C THR A 148 4.444 -10.643 -4.446 1.00 44.44 C ATOM 2216 O THR A 148 3.865 -10.955 -5.489 1.00 30.54 O ATOM 2217 CB THR A 148 5.481 -12.897 -4.186 1.00 2.23 C ATOM 2218 OG1 THR A 148 5.273 -14.104 -3.446 1.00 21.25 O ATOM 2219 CG2 THR A 148 6.971 -12.682 -4.408 1.00 33.20 C ATOM 0 H THR A 148 2.909 -12.413 -3.147 1.00 31.25 H new ATOM 0 HA THR A 148 5.605 -11.284 -2.758 1.00 71.15 H new ATOM 0 HB THR A 148 4.993 -12.979 -5.157 1.00 2.23 H new ATOM 0 HG1 THR A 148 4.325 -14.351 -3.483 1.00 21.25 H new ATOM 0 HG21 THR A 148 7.387 -13.538 -4.940 1.00 33.20 H new ATOM 0 HG22 THR A 148 7.124 -11.778 -4.998 1.00 33.20 H new ATOM 0 HG23 THR A 148 7.471 -12.576 -3.445 1.00 33.20 H new ATOM 2227 N LEU A 149 4.741 -9.386 -4.135 1.00 3.25 N ATOM 2228 CA LEU A 149 4.397 -8.277 -5.018 1.00 14.14 C ATOM 2229 C LEU A 149 5.220 -7.038 -4.681 1.00 73.03 C ATOM 2230 O LEU A 149 6.097 -7.078 -3.817 1.00 43.20 O ATOM 2231 CB LEU A 149 2.906 -7.957 -4.911 1.00 73.25 C ATOM 2232 CG LEU A 149 2.498 -7.032 -3.764 1.00 52.02 C ATOM 2233 CD1 LEU A 149 1.002 -6.763 -3.801 1.00 72.42 C ATOM 2234 CD2 LEU A 149 2.900 -7.634 -2.425 1.00 15.03 C ATOM 0 H LEU A 149 5.219 -9.109 -3.278 1.00 3.25 H new ATOM 0 HA LEU A 149 4.625 -8.575 -6.041 1.00 14.14 H new ATOM 0 HB2 LEU A 149 2.584 -7.504 -5.849 1.00 73.25 H new ATOM 0 HB3 LEU A 149 2.360 -8.895 -4.806 1.00 73.25 H new ATOM 0 HG LEU A 149 3.020 -6.083 -3.885 1.00 52.02 H new ATOM 0 HD11 LEU A 149 0.731 -6.103 -2.977 1.00 72.42 H new ATOM 0 HD12 LEU A 149 0.741 -6.289 -4.747 1.00 72.42 H new ATOM 0 HD13 LEU A 149 0.461 -7.704 -3.705 1.00 72.42 H new ATOM 0 HD21 LEU A 149 2.602 -6.962 -1.620 1.00 15.03 H new ATOM 0 HD22 LEU A 149 2.406 -8.597 -2.296 1.00 15.03 H new ATOM 0 HD23 LEU A 149 3.981 -7.774 -2.399 1.00 15.03 H new ATOM 2245 N ARG A 150 4.930 -5.936 -5.366 1.00 2.12 N ATOM 2246 CA ARG A 150 5.643 -4.685 -5.139 1.00 74.54 C ATOM 2247 C ARG A 150 4.694 -3.493 -5.237 1.00 63.03 C ATOM 2248 O ARG A 150 3.876 -3.412 -6.155 1.00 23.34 O ATOM 2249 CB ARG A 150 6.781 -4.529 -6.149 1.00 42.14 C ATOM 2250 CG ARG A 150 6.313 -4.109 -7.533 1.00 63.24 C ATOM 2251 CD ARG A 150 7.115 -4.798 -8.625 1.00 24.32 C ATOM 2252 NE ARG A 150 7.617 -3.851 -9.617 1.00 33.32 N ATOM 2253 CZ ARG A 150 8.311 -4.211 -10.691 1.00 51.01 C ATOM 2254 NH1 ARG A 150 8.581 -5.489 -10.912 1.00 1.14 N ATOM 2255 NH2 ARG A 150 8.735 -3.289 -11.547 1.00 64.31 N ATOM 0 H ARG A 150 4.206 -5.885 -6.083 1.00 2.12 H new ATOM 0 HA ARG A 150 6.062 -4.713 -4.133 1.00 74.54 H new ATOM 0 HB2 ARG A 150 7.489 -3.790 -5.774 1.00 42.14 H new ATOM 0 HB3 ARG A 150 7.318 -5.474 -6.228 1.00 42.14 H new ATOM 0 HG2 ARG A 150 5.256 -4.350 -7.649 1.00 63.24 H new ATOM 0 HG3 ARG A 150 6.407 -3.028 -7.638 1.00 63.24 H new ATOM 0 HD2 ARG A 150 7.953 -5.332 -8.177 1.00 24.32 H new ATOM 0 HD3 ARG A 150 6.490 -5.542 -9.118 1.00 24.32 H new ATOM 0 HE ARG A 150 7.424 -2.859 -9.478 1.00 33.32 H new ATOM 0 HH11 ARG A 150 8.256 -6.200 -10.257 1.00 1.14 H new ATOM 0 HH12 ARG A 150 9.114 -5.762 -11.738 1.00 1.14 H new ATOM 0 HH21 ARG A 150 8.528 -2.304 -11.380 1.00 64.31 H new ATOM 0 HH22 ARG A 150 9.268 -3.565 -12.372 1.00 64.31 H new ATOM 2266 N LEU A 151 4.808 -2.572 -4.287 1.00 44.22 N ATOM 2267 CA LEU A 151 3.961 -1.385 -4.267 1.00 32.00 C ATOM 2268 C LEU A 151 4.803 -0.114 -4.319 1.00 64.53 C ATOM 2269 O LEU A 151 5.725 0.063 -3.525 1.00 0.03 O ATOM 2270 CB LEU A 151 3.087 -1.380 -3.011 1.00 73.20 C ATOM 2271 CG LEU A 151 1.596 -1.118 -3.232 1.00 20.53 C ATOM 2272 CD1 LEU A 151 0.762 -2.231 -2.616 1.00 53.33 C ATOM 2273 CD2 LEU A 151 1.200 0.232 -2.651 1.00 34.02 C ATOM 0 H LEU A 151 5.479 -2.624 -3.520 1.00 44.22 H new ATOM 0 HA LEU A 151 3.321 -1.411 -5.149 1.00 32.00 H new ATOM 0 HB2 LEU A 151 3.196 -2.343 -2.513 1.00 73.20 H new ATOM 0 HB3 LEU A 151 3.471 -0.622 -2.328 1.00 73.20 H new ATOM 0 HG LEU A 151 1.405 -1.100 -4.305 1.00 20.53 H new ATOM 0 HD11 LEU A 151 -0.296 -2.028 -2.783 1.00 53.33 H new ATOM 0 HD12 LEU A 151 1.026 -3.182 -3.078 1.00 53.33 H new ATOM 0 HD13 LEU A 151 0.957 -2.282 -1.545 1.00 53.33 H new ATOM 0 HD21 LEU A 151 0.136 0.402 -2.817 1.00 34.02 H new ATOM 0 HD22 LEU A 151 1.406 0.242 -1.581 1.00 34.02 H new ATOM 0 HD23 LEU A 151 1.774 1.020 -3.138 1.00 34.02 H new ATOM 2284 N GLU A 152 4.475 0.768 -5.259 1.00 33.42 N ATOM 2285 CA GLU A 152 5.201 2.023 -5.413 1.00 63.52 C ATOM 2286 C GLU A 152 4.235 3.199 -5.526 1.00 3.41 C ATOM 2287 O GLU A 152 3.167 3.084 -6.130 1.00 35.52 O ATOM 2288 CB GLU A 152 6.103 1.968 -6.647 1.00 3.12 C ATOM 2289 CG GLU A 152 7.329 1.088 -6.467 1.00 11.21 C ATOM 2290 CD GLU A 152 8.230 1.086 -7.686 1.00 41.14 C ATOM 2291 OE1 GLU A 152 7.874 1.742 -8.688 1.00 63.44 O ATOM 2292 OE2 GLU A 152 9.291 0.428 -7.639 1.00 51.45 O ATOM 0 H GLU A 152 3.713 0.636 -5.924 1.00 33.42 H new ATOM 0 HA GLU A 152 5.819 2.167 -4.527 1.00 63.52 H new ATOM 0 HB2 GLU A 152 5.524 1.600 -7.494 1.00 3.12 H new ATOM 0 HB3 GLU A 152 6.425 2.979 -6.896 1.00 3.12 H new ATOM 0 HG2 GLU A 152 7.895 1.433 -5.602 1.00 11.21 H new ATOM 0 HG3 GLU A 152 7.011 0.068 -6.253 1.00 11.21 H new ATOM 2297 N LEU A 153 4.618 4.330 -4.944 1.00 35.01 N ATOM 2298 CA LEU A 153 3.787 5.528 -4.979 1.00 32.13 C ATOM 2299 C LEU A 153 4.419 6.603 -5.858 1.00 74.25 C ATOM 2300 O LEU A 153 5.627 6.832 -5.805 1.00 1.44 O ATOM 2301 CB LEU A 153 3.578 6.069 -3.563 1.00 51.03 C ATOM 2302 CG LEU A 153 4.842 6.484 -2.809 1.00 1.31 C ATOM 2303 CD1 LEU A 153 4.532 7.590 -1.813 1.00 65.11 C ATOM 2304 CD2 LEU A 153 5.459 5.285 -2.102 1.00 40.43 C ATOM 0 H LEU A 153 5.499 4.442 -4.442 1.00 35.01 H new ATOM 0 HA LEU A 153 2.821 5.258 -5.405 1.00 32.13 H new ATOM 0 HB2 LEU A 153 2.913 6.931 -3.620 1.00 51.03 H new ATOM 0 HB3 LEU A 153 3.063 5.308 -2.977 1.00 51.03 H new ATOM 0 HG LEU A 153 5.563 6.866 -3.531 1.00 1.31 H new ATOM 0 HD11 LEU A 153 5.444 7.872 -1.286 1.00 65.11 H new ATOM 0 HD12 LEU A 153 4.137 8.457 -2.343 1.00 65.11 H new ATOM 0 HD13 LEU A 153 3.793 7.236 -1.094 1.00 65.11 H new ATOM 0 HD21 LEU A 153 6.357 5.599 -1.571 1.00 40.43 H new ATOM 0 HD22 LEU A 153 4.742 4.873 -1.391 1.00 40.43 H new ATOM 0 HD23 LEU A 153 5.720 4.524 -2.837 1.00 40.43 H new ATOM 2315 N LEU A 154 3.592 7.262 -6.663 1.00 4.43 N ATOM 2316 CA LEU A 154 4.069 8.315 -7.554 1.00 20.21 C ATOM 2317 C LEU A 154 3.355 9.632 -7.269 1.00 43.44 C ATOM 2318 O LEU A 154 2.197 9.645 -6.854 1.00 72.24 O ATOM 2319 CB LEU A 154 3.857 7.911 -9.013 1.00 4.11 C ATOM 2320 CG LEU A 154 4.040 6.426 -9.332 1.00 52.51 C ATOM 2321 CD1 LEU A 154 2.740 5.669 -9.113 1.00 55.11 C ATOM 2322 CD2 LEU A 154 4.530 6.245 -10.762 1.00 40.41 C ATOM 0 H LEU A 154 2.589 7.086 -6.717 1.00 4.43 H new ATOM 0 HA LEU A 154 5.135 8.454 -7.375 1.00 20.21 H new ATOM 0 HB2 LEU A 154 2.849 8.204 -9.307 1.00 4.11 H new ATOM 0 HB3 LEU A 154 4.549 8.483 -9.632 1.00 4.11 H new ATOM 0 HG LEU A 154 4.792 6.018 -8.656 1.00 52.51 H new ATOM 0 HD11 LEU A 154 2.890 4.615 -9.345 1.00 55.11 H new ATOM 0 HD12 LEU A 154 2.430 5.771 -8.073 1.00 55.11 H new ATOM 0 HD13 LEU A 154 1.967 6.078 -9.764 1.00 55.11 H new ATOM 0 HD21 LEU A 154 4.655 5.183 -10.972 1.00 40.41 H new ATOM 0 HD22 LEU A 154 3.801 6.668 -11.453 1.00 40.41 H new ATOM 0 HD23 LEU A 154 5.486 6.754 -10.886 1.00 40.41 H new ATOM 2333 N GLY A 155 4.053 10.740 -7.499 1.00 24.22 N ATOM 2334 CA GLY A 155 3.469 12.048 -7.264 1.00 4.10 C ATOM 2335 C GLY A 155 3.402 12.887 -8.525 1.00 21.03 C ATOM 2336 O GLY A 155 3.818 12.446 -9.596 1.00 10.43 O ATOM 0 H GLY A 155 5.013 10.755 -7.844 1.00 24.22 H new ATOM 0 HA2 GLY A 155 2.465 11.927 -6.858 1.00 4.10 H new ATOM 0 HA3 GLY A 155 4.056 12.575 -6.511 1.00 4.10 H new ATOM 2340 N CYS A 156 2.875 14.100 -8.398 1.00 52.04 N ATOM 2341 CA CYS A 156 2.752 15.004 -9.536 1.00 72.52 C ATOM 2342 C CYS A 156 3.901 16.008 -9.559 1.00 4.04 C ATOM 2343 O CYS A 156 4.235 16.562 -10.607 1.00 52.25 O ATOM 2344 CB CYS A 156 1.414 15.745 -9.483 1.00 11.25 C ATOM 2345 SG CYS A 156 0.202 15.177 -10.718 1.00 52.04 S ATOM 0 H CYS A 156 2.526 14.480 -7.518 1.00 52.04 H new ATOM 0 HA CYS A 156 2.794 14.408 -10.448 1.00 72.52 H new ATOM 0 HB2 CYS A 156 0.985 15.628 -8.488 1.00 11.25 H new ATOM 0 HB3 CYS A 156 1.594 16.810 -9.629 1.00 11.25 H new ATOM 2349 N LEU A 157 4.504 16.237 -8.397 1.00 62.11 N ATOM 2350 CA LEU A 157 5.616 17.173 -8.283 1.00 42.12 C ATOM 2351 C LEU A 157 5.197 18.572 -8.724 1.00 31.43 C ATOM 2352 O LEU A 157 5.999 19.325 -9.276 1.00 4.23 O ATOM 2353 CB LEU A 157 6.800 16.694 -9.126 1.00 34.43 C ATOM 2354 CG LEU A 157 8.181 16.841 -8.485 1.00 2.32 C ATOM 2355 CD1 LEU A 157 8.453 18.295 -8.132 1.00 31.15 C ATOM 2356 CD2 LEU A 157 8.294 15.959 -7.251 1.00 51.12 C ATOM 0 H LEU A 157 4.241 15.787 -7.520 1.00 62.11 H new ATOM 0 HA LEU A 157 5.917 17.216 -7.236 1.00 42.12 H new ATOM 0 HB2 LEU A 157 6.645 15.643 -9.371 1.00 34.43 H new ATOM 0 HB3 LEU A 157 6.797 17.244 -10.067 1.00 34.43 H new ATOM 0 HG LEU A 157 8.931 16.517 -9.206 1.00 2.32 H new ATOM 0 HD11 LEU A 157 9.440 18.380 -7.677 1.00 31.15 H new ATOM 0 HD12 LEU A 157 8.417 18.902 -9.037 1.00 31.15 H new ATOM 0 HD13 LEU A 157 7.698 18.646 -7.429 1.00 31.15 H new ATOM 0 HD21 LEU A 157 9.283 16.077 -6.809 1.00 51.12 H new ATOM 0 HD22 LEU A 157 7.535 16.250 -6.525 1.00 51.12 H new ATOM 0 HD23 LEU A 157 8.145 14.917 -7.534 1.00 51.12 H new ATOM 2367 N GLU A 158 3.937 18.913 -8.474 1.00 35.41 N ATOM 2368 CA GLU A 158 3.413 20.223 -8.844 1.00 74.13 C ATOM 2369 C GLU A 158 4.024 21.319 -7.975 1.00 10.25 C ATOM 2370 O GLU A 158 3.887 21.304 -6.753 1.00 75.54 O ATOM 2371 CB GLU A 158 1.888 20.243 -8.711 1.00 15.43 C ATOM 2372 CG GLU A 158 1.242 21.475 -9.320 1.00 51.13 C ATOM 2373 CD GLU A 158 0.384 22.235 -8.327 1.00 74.43 C ATOM 2374 OE1 GLU A 158 0.952 22.950 -7.476 1.00 35.30 O ATOM 2375 OE2 GLU A 158 -0.857 22.114 -8.401 1.00 43.24 O ATOM 0 H GLU A 158 3.261 18.301 -8.017 1.00 35.41 H new ATOM 0 HA GLU A 158 3.683 20.414 -9.883 1.00 74.13 H new ATOM 0 HB2 GLU A 158 1.478 19.354 -9.190 1.00 15.43 H new ATOM 0 HB3 GLU A 158 1.623 20.188 -7.655 1.00 15.43 H new ATOM 0 HG2 GLU A 158 2.019 22.136 -9.704 1.00 51.13 H new ATOM 0 HG3 GLU A 158 0.629 21.176 -10.170 1.00 51.13 H new