USER MOD reduce.3.24.130724 H: found=0, std=0, add=1146, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 957 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 57 GLN : amide:sc= 0.574 K(o=1.6,f=-0.95) USER MOD Set 1.2: A 93 THR OG1 : rot -157:sc= 1.07 USER MOD Set 2.1: A 25 ASN :FLIP amide:sc=-0.00994 F(o=0.03,f=0.79) USER MOD Set 2.2: A 31 SER OG : rot 56:sc= 0.804 USER MOD Set 3.1: A 5 LYS NZ :NH3+ -157:sc= 0.749 (180deg=0.107) USER MOD Set 3.2: A 77 TYR OH : rot 152:sc= 0.52 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 30:sc= -0.136 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 42:sc= 0.158 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -160:sc= 0.206 USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0.224 (180deg=0.221) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 165:sc= -0.268 (180deg=-0.685) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 1.28 (180deg=1.16) USER MOD Single : A 26 SER OG : rot -32:sc= 0.522 USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 1.06 (180deg=0.21) USER MOD Single : A 34 LYS NZ :NH3+ -106:sc= 1.02 (180deg=-0.446) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.25 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 152:sc= 0 (180deg=-0.944) USER MOD Single : A 48 TYR OH : rot 53:sc= 0.0955 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -63:sc= 1.31 USER MOD Single : A 51 SER OG : rot 110:sc= 1.27 USER MOD Single : A 59 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 61 ASN : amide:sc= 1.18 K(o=1.2,f=-0.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.79 K(o=0.79,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.0958 X(o=-0.096,f=-0.22) USER MOD Single : A 84 SER OG : rot 180:sc=-0.00634 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot -166:sc= 2.53 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -162:sc= 1.25 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 102 MET CE :methyl 169:sc= 0 (180deg=-0.127) USER MOD Single : A 103 LYS NZ :NH3+ 152:sc= 0.467 (180deg=0.148) USER MOD Single : A 104 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 105 TYR OH : rot -13:sc= 0.798 USER MOD Single : A 111 SER OG : rot 160:sc= 1.45 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.0605 X(o=-0.06,f=-0.33) USER MOD Single : A 120 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.29) USER MOD Single : A 121 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00254) USER MOD Single : A 123 TYR OH : rot -80:sc= -0.74 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 HIS : no HE2:sc= -0.156 K(o=-0.16,f=-3!) USER MOD Single : A 128 ASN : amide:sc= 0.828 K(o=0.83,f=-0.0014) USER MOD Single : A 135 ASN : amide:sc= -0.0946 X(o=-0.095,f=0) USER MOD Single : A 144 SER OG : rot -41:sc= 0.00211 USER MOD Single : A 148 LYS NZ :NH3+ 176:sc= 1.05 (180deg=1.03) USER MOD Single : A 150 SER OG : rot -39:sc= 0.0887 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 4 -3.861 -18.599 -1.875 1.00 10.33 N ATOM 34 CA LYS A 4 -3.305 -17.420 -1.217 1.00 45.33 C ATOM 35 C LYS A 4 -2.537 -16.611 -2.256 1.00 41.44 C ATOM 36 O LYS A 4 -1.984 -17.206 -3.189 1.00 11.14 O ATOM 37 CB LYS A 4 -2.432 -17.785 0.000 1.00 13.32 C ATOM 38 CG LYS A 4 -1.110 -18.534 -0.260 1.00 10.13 C ATOM 39 CD LYS A 4 -1.265 -19.971 -0.794 1.00 72.23 C ATOM 40 CE LYS A 4 -1.015 -20.069 -2.305 1.00 5.22 C ATOM 41 NZ LYS A 4 0.422 -20.018 -2.610 1.00 74.42 N ATOM 0 HA LYS A 4 -4.117 -16.815 -0.813 1.00 45.33 H new ATOM 0 HB2 LYS A 4 -2.195 -16.863 0.530 1.00 13.32 H new ATOM 0 HB3 LYS A 4 -3.035 -18.394 0.673 1.00 13.32 H new ATOM 0 HG2 LYS A 4 -0.520 -17.960 -0.974 1.00 10.13 H new ATOM 0 HG3 LYS A 4 -0.541 -18.568 0.669 1.00 10.13 H new ATOM 0 HD2 LYS A 4 -0.568 -20.626 -0.271 1.00 72.23 H new ATOM 0 HD3 LYS A 4 -2.269 -20.331 -0.572 1.00 72.23 H new ATOM 0 HE2 LYS A 4 -1.438 -20.998 -2.687 1.00 5.22 H new ATOM 0 HE3 LYS A 4 -1.527 -19.253 -2.815 1.00 5.22 H new ATOM 0 HZ1 LYS A 4 0.561 -20.086 -3.638 1.00 74.42 H new ATOM 0 HZ2 LYS A 4 0.818 -19.120 -2.266 1.00 74.42 H new ATOM 0 HZ3 LYS A 4 0.905 -20.811 -2.142 1.00 74.42 H new ATOM 51 N LYS A 5 -2.504 -15.285 -2.125 1.00 34.23 N ATOM 52 CA LYS A 5 -1.717 -14.391 -2.969 1.00 2.44 C ATOM 53 C LYS A 5 -1.399 -13.131 -2.180 1.00 42.43 C ATOM 54 O LYS A 5 -2.020 -12.861 -1.149 1.00 2.23 O ATOM 55 CB LYS A 5 -2.462 -13.980 -4.248 1.00 13.20 C ATOM 56 CG LYS A 5 -2.861 -15.116 -5.173 1.00 74.55 C ATOM 57 CD LYS A 5 -3.282 -14.612 -6.560 1.00 25.20 C ATOM 58 CE LYS A 5 -2.084 -14.328 -7.473 1.00 50.13 C ATOM 59 NZ LYS A 5 -2.506 -13.834 -8.803 1.00 64.24 N ATOM 0 H LYS A 5 -3.038 -14.792 -1.410 1.00 34.23 H new ATOM 0 HA LYS A 5 -0.814 -14.927 -3.262 1.00 2.44 H new ATOM 0 HB2 LYS A 5 -3.362 -13.435 -3.963 1.00 13.20 H new ATOM 0 HB3 LYS A 5 -1.833 -13.286 -4.806 1.00 13.20 H new ATOM 0 HG2 LYS A 5 -2.025 -15.808 -5.278 1.00 74.55 H new ATOM 0 HG3 LYS A 5 -3.683 -15.675 -4.726 1.00 74.55 H new ATOM 0 HD2 LYS A 5 -3.926 -15.354 -7.032 1.00 25.20 H new ATOM 0 HD3 LYS A 5 -3.872 -13.703 -6.448 1.00 25.20 H new ATOM 0 HE2 LYS A 5 -1.435 -13.590 -7.001 1.00 50.13 H new ATOM 0 HE3 LYS A 5 -1.496 -15.238 -7.594 1.00 50.13 H new ATOM 0 HZ1 LYS A 5 -1.754 -14.020 -9.497 1.00 64.24 H new ATOM 0 HZ2 LYS A 5 -3.376 -14.324 -9.095 1.00 64.24 H new ATOM 0 HZ3 LYS A 5 -2.685 -12.811 -8.752 1.00 64.24 H new ATOM 69 N THR A 6 -0.512 -12.321 -2.741 1.00 71.21 N ATOM 70 CA THR A 6 0.021 -11.122 -2.117 1.00 64.52 C ATOM 71 C THR A 6 0.231 -10.039 -3.178 1.00 70.32 C ATOM 72 O THR A 6 1.264 -10.022 -3.849 1.00 43.42 O ATOM 73 CB THR A 6 1.324 -11.483 -1.382 1.00 12.40 C ATOM 74 OG1 THR A 6 1.146 -12.561 -0.475 1.00 70.03 O ATOM 75 CG2 THR A 6 1.891 -10.252 -0.679 1.00 41.04 C ATOM 0 H THR A 6 -0.133 -12.487 -3.673 1.00 71.21 H new ATOM 0 HA THR A 6 -0.680 -10.722 -1.384 1.00 64.52 H new ATOM 0 HB THR A 6 2.044 -11.821 -2.127 1.00 12.40 H new ATOM 0 HG1 THR A 6 1.997 -12.759 -0.031 1.00 70.03 H new ATOM 0 HG21 THR A 6 2.813 -10.520 -0.163 1.00 41.04 H new ATOM 0 HG22 THR A 6 2.100 -9.476 -1.416 1.00 41.04 H new ATOM 0 HG23 THR A 6 1.165 -9.879 0.044 1.00 41.04 H new ATOM 83 N LEU A 7 -0.739 -9.140 -3.372 1.00 14.03 N ATOM 84 CA LEU A 7 -0.623 -8.032 -4.332 1.00 1.03 C ATOM 85 C LEU A 7 0.205 -6.887 -3.736 1.00 41.12 C ATOM 86 O LEU A 7 0.111 -6.615 -2.545 1.00 34.41 O ATOM 87 CB LEU A 7 -2.014 -7.605 -4.781 1.00 24.20 C ATOM 88 CG LEU A 7 -2.075 -6.460 -5.802 1.00 3.10 C ATOM 89 CD1 LEU A 7 -1.287 -6.753 -7.088 1.00 72.15 C ATOM 90 CD2 LEU A 7 -3.544 -6.254 -6.183 1.00 43.41 C ATOM 0 H LEU A 7 -1.627 -9.158 -2.870 1.00 14.03 H new ATOM 0 HA LEU A 7 -0.084 -8.358 -5.222 1.00 1.03 H new ATOM 0 HB2 LEU A 7 -2.517 -8.472 -5.208 1.00 24.20 H new ATOM 0 HB3 LEU A 7 -2.583 -7.309 -3.900 1.00 24.20 H new ATOM 0 HG LEU A 7 -1.629 -5.579 -5.340 1.00 3.10 H new ATOM 0 HD11 LEU A 7 -1.371 -5.905 -7.767 1.00 72.15 H new ATOM 0 HD12 LEU A 7 -0.238 -6.919 -6.842 1.00 72.15 H new ATOM 0 HD13 LEU A 7 -1.692 -7.644 -7.568 1.00 72.15 H new ATOM 0 HD21 LEU A 7 -3.622 -5.445 -6.909 1.00 43.41 H new ATOM 0 HD22 LEU A 7 -3.939 -7.172 -6.619 1.00 43.41 H new ATOM 0 HD23 LEU A 7 -4.118 -5.999 -5.293 1.00 43.41 H new ATOM 101 N ILE A 8 1.022 -6.210 -4.541 1.00 10.42 N ATOM 102 CA ILE A 8 1.945 -5.161 -4.115 1.00 71.33 C ATOM 103 C ILE A 8 1.711 -3.972 -5.043 1.00 5.21 C ATOM 104 O ILE A 8 1.806 -4.145 -6.257 1.00 41.42 O ATOM 105 CB ILE A 8 3.397 -5.696 -4.175 1.00 53.34 C ATOM 106 CG1 ILE A 8 3.630 -6.771 -3.084 1.00 50.02 C ATOM 107 CG2 ILE A 8 4.431 -4.568 -4.035 1.00 62.42 C ATOM 108 CD1 ILE A 8 4.909 -7.596 -3.266 1.00 25.44 C ATOM 0 H ILE A 8 1.060 -6.384 -5.545 1.00 10.42 H new ATOM 0 HA ILE A 8 1.778 -4.848 -3.084 1.00 71.33 H new ATOM 0 HB ILE A 8 3.532 -6.150 -5.157 1.00 53.34 H new ATOM 0 HG12 ILE A 8 3.664 -6.281 -2.111 1.00 50.02 H new ATOM 0 HG13 ILE A 8 2.775 -7.448 -3.070 1.00 50.02 H new ATOM 0 HG21 ILE A 8 5.436 -4.988 -4.082 1.00 62.42 H new ATOM 0 HG22 ILE A 8 4.299 -3.851 -4.845 1.00 62.42 H new ATOM 0 HG23 ILE A 8 4.293 -4.065 -3.078 1.00 62.42 H new ATOM 0 HD11 ILE A 8 4.991 -8.323 -2.458 1.00 25.44 H new ATOM 0 HD12 ILE A 8 4.872 -8.118 -4.222 1.00 25.44 H new ATOM 0 HD13 ILE A 8 5.775 -6.934 -3.248 1.00 25.44 H new ATOM 119 N LEU A 9 1.404 -2.789 -4.492 1.00 13.23 N ATOM 120 CA LEU A 9 1.052 -1.573 -5.233 1.00 51.13 C ATOM 121 C LEU A 9 1.726 -0.368 -4.570 1.00 5.03 C ATOM 122 O LEU A 9 1.169 0.209 -3.637 1.00 25.12 O ATOM 123 CB LEU A 9 -0.477 -1.373 -5.213 1.00 43.41 C ATOM 124 CG LEU A 9 -1.296 -2.459 -5.933 1.00 30.52 C ATOM 125 CD1 LEU A 9 -2.527 -2.822 -5.097 1.00 72.44 C ATOM 126 CD2 LEU A 9 -1.696 -2.003 -7.337 1.00 51.23 C ATOM 0 H LEU A 9 1.394 -2.649 -3.482 1.00 13.23 H new ATOM 0 HA LEU A 9 1.390 -1.668 -6.265 1.00 51.13 H new ATOM 0 HB2 LEU A 9 -0.806 -1.323 -4.175 1.00 43.41 H new ATOM 0 HB3 LEU A 9 -0.706 -0.409 -5.667 1.00 43.41 H new ATOM 0 HG LEU A 9 -0.677 -3.349 -6.044 1.00 30.52 H new ATOM 0 HD11 LEU A 9 -3.103 -3.591 -5.612 1.00 72.44 H new ATOM 0 HD12 LEU A 9 -2.209 -3.197 -4.124 1.00 72.44 H new ATOM 0 HD13 LEU A 9 -3.147 -1.936 -4.959 1.00 72.44 H new ATOM 0 HD21 LEU A 9 -2.274 -2.789 -7.824 1.00 51.23 H new ATOM 0 HD22 LEU A 9 -2.300 -1.098 -7.267 1.00 51.23 H new ATOM 0 HD23 LEU A 9 -0.800 -1.796 -7.922 1.00 51.23 H new ATOM 137 N TYR A 10 2.920 0.037 -5.009 1.00 53.25 N ATOM 138 CA TYR A 10 3.608 1.204 -4.438 1.00 72.53 C ATOM 139 C TYR A 10 3.618 2.410 -5.379 1.00 4.21 C ATOM 140 O TYR A 10 3.345 2.269 -6.568 1.00 63.45 O ATOM 141 CB TYR A 10 5.021 0.838 -3.949 1.00 41.05 C ATOM 142 CG TYR A 10 6.142 0.740 -4.966 1.00 74.22 C ATOM 143 CD1 TYR A 10 5.929 0.450 -6.331 1.00 54.22 C ATOM 144 CD2 TYR A 10 7.448 0.979 -4.509 1.00 43.31 C ATOM 145 CE1 TYR A 10 6.996 0.500 -7.244 1.00 23.33 C ATOM 146 CE2 TYR A 10 8.501 1.070 -5.425 1.00 12.03 C ATOM 147 CZ TYR A 10 8.283 0.852 -6.798 1.00 4.43 C ATOM 148 OH TYR A 10 9.323 0.940 -7.665 1.00 53.25 O ATOM 0 H TYR A 10 3.434 -0.425 -5.759 1.00 53.25 H new ATOM 0 HA TYR A 10 3.029 1.513 -3.568 1.00 72.53 H new ATOM 0 HB2 TYR A 10 5.315 1.578 -3.204 1.00 41.05 H new ATOM 0 HB3 TYR A 10 4.955 -0.122 -3.437 1.00 41.05 H new ATOM 0 HD1 TYR A 10 4.940 0.188 -6.676 1.00 54.22 H new ATOM 0 HD2 TYR A 10 7.639 1.092 -3.452 1.00 43.31 H new ATOM 0 HE1 TYR A 10 6.828 0.269 -8.286 1.00 23.33 H new ATOM 0 HE2 TYR A 10 9.494 1.311 -5.074 1.00 12.03 H new ATOM 0 HH TYR A 10 8.991 1.204 -8.548 1.00 53.25 H new ATOM 157 N TYR A 11 3.972 3.589 -4.866 1.00 44.11 N ATOM 158 CA TYR A 11 4.274 4.779 -5.651 1.00 11.14 C ATOM 159 C TYR A 11 5.754 5.100 -5.452 1.00 71.42 C ATOM 160 O TYR A 11 6.167 5.431 -4.337 1.00 14.02 O ATOM 161 CB TYR A 11 3.399 5.970 -5.215 1.00 45.01 C ATOM 162 CG TYR A 11 3.842 7.281 -5.858 1.00 52.01 C ATOM 163 CD1 TYR A 11 4.079 7.356 -7.246 1.00 14.32 C ATOM 164 CD2 TYR A 11 4.129 8.401 -5.054 1.00 44.05 C ATOM 165 CE1 TYR A 11 4.625 8.518 -7.818 1.00 2.10 C ATOM 166 CE2 TYR A 11 4.676 9.566 -5.621 1.00 42.34 C ATOM 167 CZ TYR A 11 4.938 9.627 -7.005 1.00 22.44 C ATOM 168 OH TYR A 11 5.503 10.735 -7.559 1.00 23.10 O ATOM 0 H TYR A 11 4.058 3.743 -3.861 1.00 44.11 H new ATOM 0 HA TYR A 11 4.060 4.595 -6.704 1.00 11.14 H new ATOM 0 HB2 TYR A 11 2.361 5.771 -5.480 1.00 45.01 H new ATOM 0 HB3 TYR A 11 3.438 6.069 -4.130 1.00 45.01 H new ATOM 0 HD1 TYR A 11 3.839 6.512 -7.876 1.00 14.32 H new ATOM 0 HD2 TYR A 11 3.927 8.365 -3.994 1.00 44.05 H new ATOM 0 HE1 TYR A 11 4.805 8.562 -8.882 1.00 2.10 H new ATOM 0 HE2 TYR A 11 4.896 10.417 -4.994 1.00 42.34 H new ATOM 0 HH TYR A 11 5.654 11.408 -6.863 1.00 23.10 H new ATOM 177 N SER A 12 6.577 4.993 -6.499 1.00 10.12 N ATOM 178 CA SER A 12 7.922 5.539 -6.448 1.00 65.54 C ATOM 179 C SER A 12 7.859 7.065 -6.580 1.00 44.35 C ATOM 180 O SER A 12 7.632 7.598 -7.664 1.00 11.40 O ATOM 181 CB SER A 12 8.863 4.882 -7.468 1.00 31.51 C ATOM 182 OG SER A 12 8.402 4.999 -8.801 1.00 14.04 O ATOM 0 H SER A 12 6.333 4.538 -7.379 1.00 10.12 H new ATOM 0 HA SER A 12 8.359 5.302 -5.478 1.00 65.54 H new ATOM 0 HB2 SER A 12 9.850 5.338 -7.389 1.00 31.51 H new ATOM 0 HB3 SER A 12 8.978 3.827 -7.221 1.00 31.51 H new ATOM 0 HG SER A 12 8.056 5.904 -8.949 1.00 14.04 H new ATOM 187 N TRP A 13 8.113 7.758 -5.468 1.00 5.30 N ATOM 188 CA TRP A 13 8.342 9.196 -5.408 1.00 21.10 C ATOM 189 C TRP A 13 9.313 9.692 -6.488 1.00 25.14 C ATOM 190 O TRP A 13 8.937 10.515 -7.319 1.00 12.34 O ATOM 191 CB TRP A 13 8.838 9.567 -4.011 1.00 10.31 C ATOM 192 CG TRP A 13 8.896 11.041 -3.753 1.00 44.03 C ATOM 193 CD1 TRP A 13 7.854 11.882 -3.931 1.00 53.41 C ATOM 194 CD2 TRP A 13 10.009 11.882 -3.298 1.00 3.44 C ATOM 195 NE1 TRP A 13 8.250 13.166 -3.653 1.00 61.44 N ATOM 196 CE2 TRP A 13 9.562 13.236 -3.259 1.00 25.31 C ATOM 197 CE3 TRP A 13 11.342 11.654 -2.895 1.00 74.21 C ATOM 198 CZ2 TRP A 13 10.384 14.307 -2.875 1.00 12.40 C ATOM 199 CZ3 TRP A 13 12.175 12.719 -2.490 1.00 34.30 C ATOM 200 CH2 TRP A 13 11.706 14.044 -2.492 1.00 21.22 C ATOM 0 H TRP A 13 8.166 7.312 -4.552 1.00 5.30 H new ATOM 0 HA TRP A 13 7.394 9.695 -5.609 1.00 21.10 H new ATOM 0 HB2 TRP A 13 8.185 9.105 -3.271 1.00 10.31 H new ATOM 0 HB3 TRP A 13 9.832 9.144 -3.866 1.00 10.31 H new ATOM 0 HD1 TRP A 13 6.863 11.589 -4.244 1.00 53.41 H new ATOM 0 HE1 TRP A 13 7.637 13.978 -3.731 1.00 61.44 H new ATOM 0 HE3 TRP A 13 11.732 10.647 -2.896 1.00 74.21 H new ATOM 0 HZ2 TRP A 13 10.004 15.318 -2.875 1.00 12.40 H new ATOM 0 HZ3 TRP A 13 13.187 12.513 -2.174 1.00 34.30 H new ATOM 0 HH2 TRP A 13 12.359 14.853 -2.201 1.00 21.22 H new ATOM 210 N SER A 14 10.569 9.229 -6.432 1.00 24.14 N ATOM 211 CA SER A 14 11.662 9.657 -7.308 1.00 4.00 C ATOM 212 C SER A 14 12.800 8.630 -7.425 1.00 52.43 C ATOM 213 O SER A 14 13.690 8.811 -8.257 1.00 13.02 O ATOM 214 CB SER A 14 12.247 10.985 -6.791 1.00 65.52 C ATOM 215 OG SER A 14 11.900 12.067 -7.631 1.00 70.11 O ATOM 0 H SER A 14 10.859 8.524 -5.754 1.00 24.14 H new ATOM 0 HA SER A 14 11.229 9.771 -8.302 1.00 4.00 H new ATOM 0 HB2 SER A 14 11.882 11.176 -5.782 1.00 65.52 H new ATOM 0 HB3 SER A 14 13.332 10.906 -6.728 1.00 65.52 H new ATOM 0 HG SER A 14 12.285 12.895 -7.274 1.00 70.11 H new ATOM 220 N GLY A 15 12.817 7.569 -6.615 1.00 64.45 N ATOM 221 CA GLY A 15 13.886 6.574 -6.605 1.00 72.43 C ATOM 222 C GLY A 15 14.177 6.005 -5.216 1.00 65.14 C ATOM 223 O GLY A 15 14.981 5.080 -5.105 1.00 24.34 O ATOM 0 H GLY A 15 12.078 7.376 -5.939 1.00 64.45 H new ATOM 0 HA2 GLY A 15 13.617 5.757 -7.275 1.00 72.43 H new ATOM 0 HA3 GLY A 15 14.795 7.025 -7.002 1.00 72.43 H new ATOM 227 N GLU A 16 13.534 6.517 -4.163 1.00 22.33 N ATOM 228 CA GLU A 16 13.681 6.052 -2.784 1.00 42.15 C ATOM 229 C GLU A 16 12.894 4.751 -2.623 1.00 53.32 C ATOM 230 O GLU A 16 13.474 3.674 -2.514 1.00 53.22 O ATOM 231 CB GLU A 16 13.134 7.109 -1.811 1.00 23.43 C ATOM 232 CG GLU A 16 13.833 8.473 -1.831 1.00 1.12 C ATOM 233 CD GLU A 16 13.220 9.453 -0.822 1.00 44.34 C ATOM 234 OE1 GLU A 16 12.149 9.153 -0.232 1.00 74.24 O ATOM 235 OE2 GLU A 16 13.803 10.534 -0.611 1.00 5.10 O ATOM 0 H GLU A 16 12.876 7.291 -4.251 1.00 22.33 H new ATOM 0 HA GLU A 16 14.735 5.884 -2.562 1.00 42.15 H new ATOM 0 HB2 GLU A 16 12.077 7.262 -2.030 1.00 23.43 H new ATOM 0 HB3 GLU A 16 13.195 6.708 -0.799 1.00 23.43 H new ATOM 0 HG2 GLU A 16 14.892 8.340 -1.609 1.00 1.12 H new ATOM 0 HG3 GLU A 16 13.769 8.898 -2.833 1.00 1.12 H new ATOM 240 N THR A 17 11.562 4.843 -2.674 1.00 43.24 N ATOM 241 CA THR A 17 10.589 3.757 -2.594 1.00 41.34 C ATOM 242 C THR A 17 11.013 2.591 -3.498 1.00 32.31 C ATOM 243 O THR A 17 10.878 1.436 -3.109 1.00 61.11 O ATOM 244 CB THR A 17 9.193 4.281 -3.020 1.00 24.50 C ATOM 245 OG1 THR A 17 9.119 5.709 -2.963 1.00 23.31 O ATOM 246 CG2 THR A 17 8.021 3.645 -2.264 1.00 41.21 C ATOM 0 H THR A 17 11.104 5.748 -2.780 1.00 43.24 H new ATOM 0 HA THR A 17 10.542 3.397 -1.566 1.00 41.34 H new ATOM 0 HB THR A 17 9.085 3.966 -4.058 1.00 24.50 H new ATOM 0 HG1 THR A 17 8.180 5.987 -2.923 1.00 23.31 H new ATOM 0 HG21 THR A 17 7.083 4.068 -2.624 1.00 41.21 H new ATOM 0 HG22 THR A 17 8.021 2.568 -2.432 1.00 41.21 H new ATOM 0 HG23 THR A 17 8.124 3.846 -1.198 1.00 41.21 H new ATOM 254 N LYS A 18 11.575 2.897 -4.680 1.00 52.04 N ATOM 255 CA LYS A 18 12.047 1.953 -5.698 1.00 25.54 C ATOM 256 C LYS A 18 12.854 0.809 -5.091 1.00 12.43 C ATOM 257 O LYS A 18 12.588 -0.354 -5.404 1.00 50.44 O ATOM 258 CB LYS A 18 12.845 2.737 -6.748 1.00 54.03 C ATOM 259 CG LYS A 18 13.491 1.853 -7.831 1.00 42.25 C ATOM 260 CD LYS A 18 14.490 2.608 -8.723 1.00 64.43 C ATOM 261 CE LYS A 18 15.938 2.540 -8.207 1.00 14.31 C ATOM 262 NZ LYS A 18 16.328 3.613 -7.265 1.00 70.23 N ATOM 0 H LYS A 18 11.719 3.866 -4.963 1.00 52.04 H new ATOM 0 HA LYS A 18 11.192 1.477 -6.177 1.00 25.54 H new ATOM 0 HB2 LYS A 18 12.184 3.458 -7.229 1.00 54.03 H new ATOM 0 HB3 LYS A 18 13.626 3.307 -6.245 1.00 54.03 H new ATOM 0 HG2 LYS A 18 14.003 1.019 -7.351 1.00 42.25 H new ATOM 0 HG3 LYS A 18 12.707 1.427 -8.457 1.00 42.25 H new ATOM 0 HD2 LYS A 18 14.451 2.195 -9.731 1.00 64.43 H new ATOM 0 HD3 LYS A 18 14.186 3.652 -8.795 1.00 64.43 H new ATOM 0 HE2 LYS A 18 16.086 1.578 -7.717 1.00 14.31 H new ATOM 0 HE3 LYS A 18 16.612 2.569 -9.063 1.00 14.31 H new ATOM 0 HZ1 LYS A 18 17.313 3.469 -6.964 1.00 70.23 H new ATOM 0 HZ2 LYS A 18 16.241 4.536 -7.735 1.00 70.23 H new ATOM 0 HZ3 LYS A 18 15.704 3.588 -6.433 1.00 70.23 H new ATOM 272 N LYS A 19 13.828 1.132 -4.237 1.00 5.32 N ATOM 273 CA LYS A 19 14.677 0.139 -3.579 1.00 1.43 C ATOM 274 C LYS A 19 13.837 -0.848 -2.772 1.00 53.04 C ATOM 275 O LYS A 19 14.096 -2.055 -2.803 1.00 31.44 O ATOM 276 CB LYS A 19 15.668 0.891 -2.665 1.00 33.10 C ATOM 277 CG LYS A 19 17.051 1.070 -3.299 1.00 54.45 C ATOM 278 CD LYS A 19 17.977 -0.106 -2.956 1.00 42.02 C ATOM 279 CE LYS A 19 18.533 0.081 -1.539 1.00 22.43 C ATOM 280 NZ LYS A 19 19.230 -1.116 -1.035 1.00 33.22 N ATOM 0 H LYS A 19 14.050 2.094 -3.982 1.00 5.32 H new ATOM 0 HA LYS A 19 15.221 -0.439 -4.326 1.00 1.43 H new ATOM 0 HB2 LYS A 19 15.257 1.871 -2.421 1.00 33.10 H new ATOM 0 HB3 LYS A 19 15.773 0.347 -1.726 1.00 33.10 H new ATOM 0 HG2 LYS A 19 16.950 1.153 -4.381 1.00 54.45 H new ATOM 0 HG3 LYS A 19 17.497 2.001 -2.949 1.00 54.45 H new ATOM 0 HD2 LYS A 19 17.429 -1.046 -3.023 1.00 42.02 H new ATOM 0 HD3 LYS A 19 18.794 -0.162 -3.675 1.00 42.02 H new ATOM 0 HE2 LYS A 19 19.221 0.926 -1.533 1.00 22.43 H new ATOM 0 HE3 LYS A 19 17.715 0.331 -0.863 1.00 22.43 H new ATOM 0 HZ1 LYS A 19 19.584 -0.933 -0.075 1.00 33.22 H new ATOM 0 HZ2 LYS A 19 18.569 -1.919 -1.013 1.00 33.22 H new ATOM 0 HZ3 LYS A 19 20.029 -1.342 -1.661 1.00 33.22 H new ATOM 290 N MET A 20 12.840 -0.330 -2.065 1.00 23.30 N ATOM 291 CA MET A 20 12.037 -1.061 -1.108 1.00 70.24 C ATOM 292 C MET A 20 11.058 -2.023 -1.774 1.00 12.14 C ATOM 293 O MET A 20 10.739 -3.043 -1.169 1.00 13.24 O ATOM 294 CB MET A 20 11.286 -0.039 -0.235 1.00 44.04 C ATOM 295 CG MET A 20 10.897 -0.613 1.124 1.00 32.33 C ATOM 296 SD MET A 20 12.267 -1.337 2.074 1.00 45.03 S ATOM 297 CE MET A 20 13.466 0.022 2.074 1.00 62.54 C ATOM 0 H MET A 20 12.563 0.648 -2.150 1.00 23.30 H new ATOM 0 HA MET A 20 12.697 -1.679 -0.499 1.00 70.24 H new ATOM 0 HB2 MET A 20 11.913 0.841 -0.089 1.00 44.04 H new ATOM 0 HB3 MET A 20 10.388 0.292 -0.758 1.00 44.04 H new ATOM 0 HG2 MET A 20 10.441 0.179 1.719 1.00 32.33 H new ATOM 0 HG3 MET A 20 10.135 -1.378 0.974 1.00 32.33 H new ATOM 0 HE1 MET A 20 14.230 -0.167 2.828 1.00 62.54 H new ATOM 0 HE2 MET A 20 13.935 0.093 1.093 1.00 62.54 H new ATOM 0 HE3 MET A 20 12.955 0.958 2.301 1.00 62.54 H new ATOM 305 N ALA A 21 10.613 -1.747 -3.007 1.00 51.05 N ATOM 306 CA ALA A 21 9.651 -2.590 -3.694 1.00 74.35 C ATOM 307 C ALA A 21 10.289 -3.953 -3.880 1.00 4.10 C ATOM 308 O ALA A 21 9.681 -4.978 -3.572 1.00 30.30 O ATOM 309 CB ALA A 21 9.283 -2.018 -5.065 1.00 3.24 C ATOM 0 H ALA A 21 10.914 -0.935 -3.546 1.00 51.05 H new ATOM 0 HA ALA A 21 8.737 -2.650 -3.103 1.00 74.35 H new ATOM 0 HB1 ALA A 21 8.561 -2.674 -5.551 1.00 3.24 H new ATOM 0 HB2 ALA A 21 8.846 -1.027 -4.941 1.00 3.24 H new ATOM 0 HB3 ALA A 21 10.179 -1.945 -5.681 1.00 3.24 H new ATOM 315 N GLU A 22 11.527 -3.933 -4.377 1.00 31.50 N ATOM 316 CA GLU A 22 12.217 -5.147 -4.736 1.00 65.32 C ATOM 317 C GLU A 22 12.483 -5.961 -3.469 1.00 50.43 C ATOM 318 O GLU A 22 12.178 -7.148 -3.409 1.00 14.12 O ATOM 319 CB GLU A 22 13.543 -4.860 -5.459 1.00 62.54 C ATOM 320 CG GLU A 22 13.469 -3.779 -6.547 1.00 14.20 C ATOM 321 CD GLU A 22 14.831 -3.529 -7.192 1.00 50.15 C ATOM 322 OE1 GLU A 22 15.787 -3.200 -6.448 1.00 41.22 O ATOM 323 OE2 GLU A 22 14.933 -3.593 -8.440 1.00 1.24 O ATOM 0 H GLU A 22 12.064 -3.080 -4.536 1.00 31.50 H new ATOM 0 HA GLU A 22 11.585 -5.709 -5.424 1.00 65.32 H new ATOM 0 HB2 GLU A 22 14.285 -4.559 -4.719 1.00 62.54 H new ATOM 0 HB3 GLU A 22 13.900 -5.785 -5.911 1.00 62.54 H new ATOM 0 HG2 GLU A 22 12.755 -4.082 -7.312 1.00 14.20 H new ATOM 0 HG3 GLU A 22 13.097 -2.851 -6.113 1.00 14.20 H new ATOM 328 N LYS A 23 13.026 -5.301 -2.436 1.00 42.24 N ATOM 329 CA LYS A 23 13.448 -5.941 -1.193 1.00 11.32 C ATOM 330 C LYS A 23 12.304 -6.712 -0.544 1.00 44.01 C ATOM 331 O LYS A 23 12.502 -7.829 -0.072 1.00 42.23 O ATOM 332 CB LYS A 23 14.051 -4.905 -0.245 1.00 72.43 C ATOM 333 CG LYS A 23 14.878 -5.606 0.842 1.00 24.40 C ATOM 334 CD LYS A 23 15.800 -4.709 1.681 1.00 53.32 C ATOM 335 CE LYS A 23 16.906 -5.523 2.378 1.00 1.33 C ATOM 336 NZ LYS A 23 16.387 -6.658 3.165 1.00 4.24 N ATOM 0 H LYS A 23 13.184 -4.293 -2.446 1.00 42.24 H new ATOM 0 HA LYS A 23 14.221 -6.673 -1.427 1.00 11.32 H new ATOM 0 HB2 LYS A 23 14.681 -4.213 -0.803 1.00 72.43 H new ATOM 0 HB3 LYS A 23 13.258 -4.315 0.214 1.00 72.43 H new ATOM 0 HG2 LYS A 23 14.192 -6.118 1.517 1.00 24.40 H new ATOM 0 HG3 LYS A 23 15.488 -6.373 0.366 1.00 24.40 H new ATOM 0 HD2 LYS A 23 16.254 -3.953 1.040 1.00 53.32 H new ATOM 0 HD3 LYS A 23 15.210 -4.180 2.430 1.00 53.32 H new ATOM 0 HE2 LYS A 23 17.600 -5.898 1.626 1.00 1.33 H new ATOM 0 HE3 LYS A 23 17.474 -4.864 3.035 1.00 1.33 H new ATOM 0 HZ1 LYS A 23 17.136 -7.017 3.791 1.00 4.24 H new ATOM 0 HZ2 LYS A 23 15.578 -6.342 3.738 1.00 4.24 H new ATOM 0 HZ3 LYS A 23 16.081 -7.415 2.522 1.00 4.24 H new ATOM 346 N ILE A 24 11.127 -6.094 -0.527 1.00 31.11 N ATOM 347 CA ILE A 24 9.910 -6.683 0.006 1.00 12.44 C ATOM 348 C ILE A 24 9.391 -7.765 -0.957 1.00 32.24 C ATOM 349 O ILE A 24 9.078 -8.853 -0.491 1.00 33.11 O ATOM 350 CB ILE A 24 8.904 -5.549 0.328 1.00 43.32 C ATOM 351 CG1 ILE A 24 9.468 -4.657 1.466 1.00 71.11 C ATOM 352 CG2 ILE A 24 7.510 -6.105 0.676 1.00 21.54 C ATOM 353 CD1 ILE A 24 8.574 -3.482 1.871 1.00 50.11 C ATOM 0 H ILE A 24 10.993 -5.151 -0.891 1.00 31.11 H new ATOM 0 HA ILE A 24 10.089 -7.203 0.947 1.00 12.44 H new ATOM 0 HB ILE A 24 8.776 -4.935 -0.563 1.00 43.32 H new ATOM 0 HG12 ILE A 24 9.643 -5.280 2.343 1.00 71.11 H new ATOM 0 HG13 ILE A 24 10.437 -4.266 1.155 1.00 71.11 H new ATOM 0 HG21 ILE A 24 6.833 -5.279 0.896 1.00 21.54 H new ATOM 0 HG22 ILE A 24 7.124 -6.675 -0.169 1.00 21.54 H new ATOM 0 HG23 ILE A 24 7.585 -6.755 1.548 1.00 21.54 H new ATOM 0 HD11 ILE A 24 9.054 -2.919 2.672 1.00 50.11 H new ATOM 0 HD12 ILE A 24 8.419 -2.830 1.012 1.00 50.11 H new ATOM 0 HD13 ILE A 24 7.612 -3.859 2.218 1.00 50.11 H new ATOM 364 N ASN A 25 9.309 -7.528 -2.277 1.00 14.42 N ATOM 365 CA ASN A 25 8.817 -8.540 -3.233 1.00 64.41 C ATOM 366 C ASN A 25 9.675 -9.810 -3.169 1.00 73.22 C ATOM 367 O ASN A 25 9.151 -10.907 -3.355 1.00 65.21 O ATOM 368 CB ASN A 25 8.764 -7.973 -4.672 1.00 74.55 C ATOM 369 CG ASN A 25 8.091 -8.841 -5.751 1.00 72.31 C ATOM 370 OD1 ASN A 25 7.443 -9.959 -5.464 1.00 51.01 O flip ATOM 371 ND2 ASN A 25 8.086 -8.469 -6.916 1.00 52.44 N flip ATOM 0 H ASN A 25 9.577 -6.644 -2.709 1.00 14.42 H new ATOM 0 HA ASN A 25 7.799 -8.806 -2.948 1.00 64.41 H new ATOM 0 HB2 ASN A 25 8.245 -7.015 -4.638 1.00 74.55 H new ATOM 0 HB3 ASN A 25 9.786 -7.770 -4.992 1.00 74.55 H new ATOM 0 HD21 ASN A 25 8.573 -7.613 -7.180 1.00 52.44 H new ATOM 0 HD22 ASN A 25 7.595 -9.015 -7.624 1.00 52.44 H new ATOM 377 N SER A 26 10.969 -9.666 -2.886 1.00 52.43 N ATOM 378 CA SER A 26 11.967 -10.719 -2.774 1.00 23.43 C ATOM 379 C SER A 26 11.913 -11.476 -1.435 1.00 32.14 C ATOM 380 O SER A 26 12.732 -12.375 -1.255 1.00 30.40 O ATOM 381 CB SER A 26 13.331 -10.035 -2.954 1.00 12.01 C ATOM 382 OG SER A 26 14.409 -10.952 -3.001 1.00 50.12 O ATOM 0 H SER A 26 11.372 -8.744 -2.718 1.00 52.43 H new ATOM 0 HA SER A 26 11.780 -11.479 -3.533 1.00 23.43 H new ATOM 0 HB2 SER A 26 13.319 -9.450 -3.873 1.00 12.01 H new ATOM 0 HB3 SER A 26 13.492 -9.336 -2.133 1.00 12.01 H new ATOM 0 HG SER A 26 14.206 -11.725 -2.435 1.00 50.12 H new ATOM 387 N GLU A 27 11.020 -11.124 -0.501 1.00 41.35 N ATOM 388 CA GLU A 27 10.832 -11.798 0.790 1.00 50.25 C ATOM 389 C GLU A 27 9.507 -12.566 0.855 1.00 43.45 C ATOM 390 O GLU A 27 9.180 -13.174 1.879 1.00 34.03 O ATOM 391 CB GLU A 27 10.915 -10.747 1.906 1.00 44.45 C ATOM 392 CG GLU A 27 12.354 -10.533 2.361 1.00 1.12 C ATOM 393 CD GLU A 27 12.855 -11.660 3.271 1.00 32.34 C ATOM 394 OE1 GLU A 27 12.577 -11.641 4.493 1.00 23.44 O ATOM 395 OE2 GLU A 27 13.608 -12.541 2.802 1.00 45.42 O ATOM 0 H GLU A 27 10.387 -10.335 -0.628 1.00 41.35 H new ATOM 0 HA GLU A 27 11.620 -12.540 0.917 1.00 50.25 H new ATOM 0 HB2 GLU A 27 10.500 -9.804 1.551 1.00 44.45 H new ATOM 0 HB3 GLU A 27 10.307 -11.065 2.753 1.00 44.45 H new ATOM 0 HG2 GLU A 27 13.001 -10.461 1.487 1.00 1.12 H new ATOM 0 HG3 GLU A 27 12.427 -9.583 2.891 1.00 1.12 H new ATOM 400 N ILE A 28 8.757 -12.540 -0.240 1.00 72.44 N ATOM 401 CA ILE A 28 7.393 -13.003 -0.410 1.00 45.05 C ATOM 402 C ILE A 28 7.465 -14.117 -1.471 1.00 62.14 C ATOM 403 O ILE A 28 8.496 -14.317 -2.122 1.00 30.51 O ATOM 404 CB ILE A 28 6.503 -11.773 -0.768 1.00 25.24 C ATOM 405 CG1 ILE A 28 6.538 -10.720 0.375 1.00 63.51 C ATOM 406 CG2 ILE A 28 5.027 -12.119 -1.043 1.00 1.21 C ATOM 407 CD1 ILE A 28 5.915 -9.361 0.036 1.00 73.34 C ATOM 0 H ILE A 28 9.127 -12.158 -1.110 1.00 72.44 H new ATOM 0 HA ILE A 28 6.930 -13.430 0.480 1.00 45.05 H new ATOM 0 HB ILE A 28 6.931 -11.379 -1.690 1.00 25.24 H new ATOM 0 HG12 ILE A 28 6.021 -11.132 1.241 1.00 63.51 H new ATOM 0 HG13 ILE A 28 7.576 -10.562 0.669 1.00 63.51 H new ATOM 0 HG21 ILE A 28 4.479 -11.208 -1.284 1.00 1.21 H new ATOM 0 HG22 ILE A 28 4.966 -12.812 -1.882 1.00 1.21 H new ATOM 0 HG23 ILE A 28 4.591 -12.582 -0.158 1.00 1.21 H new ATOM 0 HD11 ILE A 28 5.991 -8.700 0.900 1.00 73.34 H new ATOM 0 HD12 ILE A 28 6.445 -8.918 -0.807 1.00 73.34 H new ATOM 0 HD13 ILE A 28 4.866 -9.497 -0.226 1.00 73.34 H new ATOM 418 N LYS A 29 6.389 -14.895 -1.609 1.00 62.32 N ATOM 419 CA LYS A 29 6.158 -15.840 -2.701 1.00 11.14 C ATOM 420 C LYS A 29 6.308 -15.189 -4.086 1.00 2.44 C ATOM 421 O LYS A 29 6.812 -14.083 -4.251 1.00 62.44 O ATOM 422 CB LYS A 29 4.755 -16.464 -2.519 1.00 63.33 C ATOM 423 CG LYS A 29 4.774 -17.979 -2.747 1.00 42.14 C ATOM 424 CD LYS A 29 3.397 -18.531 -3.137 1.00 63.13 C ATOM 425 CE LYS A 29 3.195 -18.657 -4.652 1.00 50.03 C ATOM 426 NZ LYS A 29 3.967 -19.781 -5.227 1.00 42.14 N ATOM 0 H LYS A 29 5.624 -14.882 -0.934 1.00 62.32 H new ATOM 0 HA LYS A 29 6.920 -16.618 -2.659 1.00 11.14 H new ATOM 0 HB2 LYS A 29 4.390 -16.252 -1.514 1.00 63.33 H new ATOM 0 HB3 LYS A 29 4.057 -16.000 -3.216 1.00 63.33 H new ATOM 0 HG2 LYS A 29 5.493 -18.216 -3.532 1.00 42.14 H new ATOM 0 HG3 LYS A 29 5.117 -18.476 -1.839 1.00 42.14 H new ATOM 0 HD2 LYS A 29 3.264 -19.511 -2.678 1.00 63.13 H new ATOM 0 HD3 LYS A 29 2.624 -17.880 -2.728 1.00 63.13 H new ATOM 0 HE2 LYS A 29 2.136 -18.800 -4.865 1.00 50.03 H new ATOM 0 HE3 LYS A 29 3.495 -17.727 -5.135 1.00 50.03 H new ATOM 0 HZ1 LYS A 29 3.582 -20.024 -6.162 1.00 42.14 H new ATOM 0 HZ2 LYS A 29 4.964 -19.503 -5.325 1.00 42.14 H new ATOM 0 HZ3 LYS A 29 3.898 -20.607 -4.599 1.00 42.14 H new ATOM 436 N ASP A 30 5.814 -15.876 -5.114 1.00 42.21 N ATOM 437 CA ASP A 30 5.681 -15.504 -6.527 1.00 62.42 C ATOM 438 C ASP A 30 4.812 -14.242 -6.730 1.00 73.21 C ATOM 439 O ASP A 30 4.131 -14.102 -7.752 1.00 30.31 O ATOM 440 CB ASP A 30 5.049 -16.670 -7.333 1.00 53.14 C ATOM 441 CG ASP A 30 5.709 -18.039 -7.199 1.00 50.23 C ATOM 442 OD1 ASP A 30 6.148 -18.404 -6.085 1.00 72.41 O ATOM 443 OD2 ASP A 30 5.583 -18.871 -8.121 1.00 22.13 O ATOM 0 H ASP A 30 5.454 -16.818 -4.961 1.00 42.21 H new ATOM 0 HA ASP A 30 6.688 -15.288 -6.885 1.00 62.42 H new ATOM 0 HB2 ASP A 30 4.006 -16.765 -7.031 1.00 53.14 H new ATOM 0 HB3 ASP A 30 5.051 -16.394 -8.387 1.00 53.14 H new ATOM 447 N SER A 31 4.720 -13.347 -5.748 1.00 42.05 N ATOM 448 CA SER A 31 3.925 -12.143 -5.781 1.00 31.14 C ATOM 449 C SER A 31 4.328 -11.265 -6.957 1.00 10.22 C ATOM 450 O SER A 31 5.486 -11.213 -7.385 1.00 11.10 O ATOM 451 CB SER A 31 4.031 -11.402 -4.444 1.00 4.20 C ATOM 452 OG SER A 31 5.363 -11.197 -4.035 1.00 71.22 O ATOM 0 H SER A 31 5.226 -13.457 -4.869 1.00 42.05 H new ATOM 0 HA SER A 31 2.878 -12.411 -5.926 1.00 31.14 H new ATOM 0 HB2 SER A 31 3.530 -10.438 -4.528 1.00 4.20 H new ATOM 0 HB3 SER A 31 3.504 -11.970 -3.677 1.00 4.20 H new ATOM 0 HG SER A 31 5.853 -10.725 -4.741 1.00 71.22 H new ATOM 457 N GLU A 32 3.344 -10.523 -7.438 1.00 30.51 N ATOM 458 CA GLU A 32 3.500 -9.525 -8.482 1.00 4.12 C ATOM 459 C GLU A 32 4.247 -8.322 -7.882 1.00 42.03 C ATOM 460 O GLU A 32 4.469 -8.241 -6.671 1.00 2.32 O ATOM 461 CB GLU A 32 2.090 -9.158 -9.015 1.00 21.34 C ATOM 462 CG GLU A 32 2.050 -8.488 -10.399 1.00 12.11 C ATOM 463 CD GLU A 32 1.269 -9.299 -11.452 1.00 64.31 C ATOM 464 OE1 GLU A 32 0.015 -9.278 -11.432 1.00 73.32 O ATOM 465 OE2 GLU A 32 1.915 -9.909 -12.340 1.00 43.04 O ATOM 0 H GLU A 32 2.384 -10.602 -7.101 1.00 30.51 H new ATOM 0 HA GLU A 32 4.085 -9.891 -9.326 1.00 4.12 H new ATOM 0 HB2 GLU A 32 1.490 -10.067 -9.055 1.00 21.34 H new ATOM 0 HB3 GLU A 32 1.613 -8.492 -8.296 1.00 21.34 H new ATOM 0 HG2 GLU A 32 1.598 -7.501 -10.303 1.00 12.11 H new ATOM 0 HG3 GLU A 32 3.071 -8.338 -10.751 1.00 12.11 H new ATOM 470 N LEU A 33 4.550 -7.348 -8.716 1.00 3.20 N ATOM 471 CA LEU A 33 4.917 -5.993 -8.338 1.00 53.41 C ATOM 472 C LEU A 33 4.172 -5.064 -9.288 1.00 23.41 C ATOM 473 O LEU A 33 4.524 -4.979 -10.466 1.00 64.52 O ATOM 474 CB LEU A 33 6.448 -5.849 -8.390 1.00 62.31 C ATOM 475 CG LEU A 33 6.984 -4.414 -8.249 1.00 30.34 C ATOM 476 CD1 LEU A 33 6.699 -3.852 -6.852 1.00 72.45 C ATOM 477 CD2 LEU A 33 8.499 -4.410 -8.483 1.00 74.53 C ATOM 0 H LEU A 33 4.548 -7.484 -9.727 1.00 3.20 H new ATOM 0 HA LEU A 33 4.635 -5.738 -7.316 1.00 53.41 H new ATOM 0 HB2 LEU A 33 6.880 -6.459 -7.597 1.00 62.31 H new ATOM 0 HB3 LEU A 33 6.802 -6.259 -9.336 1.00 62.31 H new ATOM 0 HG LEU A 33 6.481 -3.790 -8.988 1.00 30.34 H new ATOM 0 HD11 LEU A 33 7.089 -2.837 -6.782 1.00 72.45 H new ATOM 0 HD12 LEU A 33 5.623 -3.840 -6.677 1.00 72.45 H new ATOM 0 HD13 LEU A 33 7.182 -4.479 -6.102 1.00 72.45 H new ATOM 0 HD21 LEU A 33 8.880 -3.394 -8.383 1.00 74.53 H new ATOM 0 HD22 LEU A 33 8.983 -5.052 -7.747 1.00 74.53 H new ATOM 0 HD23 LEU A 33 8.713 -4.781 -9.485 1.00 74.53 H new ATOM 488 N LYS A 34 3.084 -4.444 -8.821 1.00 25.13 N ATOM 489 CA LYS A 34 2.442 -3.341 -9.524 1.00 74.33 C ATOM 490 C LYS A 34 3.023 -2.046 -8.968 1.00 61.43 C ATOM 491 O LYS A 34 3.628 -2.018 -7.892 1.00 3.42 O ATOM 492 CB LYS A 34 0.923 -3.345 -9.306 1.00 44.12 C ATOM 493 CG LYS A 34 0.195 -4.655 -9.615 1.00 11.32 C ATOM 494 CD LYS A 34 0.195 -5.049 -11.092 1.00 22.42 C ATOM 495 CE LYS A 34 -0.724 -6.261 -11.264 1.00 50.03 C ATOM 496 NZ LYS A 34 -0.616 -6.871 -12.601 1.00 31.41 N ATOM 0 H LYS A 34 2.627 -4.696 -7.945 1.00 25.13 H new ATOM 0 HA LYS A 34 2.624 -3.438 -10.594 1.00 74.33 H new ATOM 0 HB2 LYS A 34 0.726 -3.082 -8.267 1.00 44.12 H new ATOM 0 HB3 LYS A 34 0.487 -2.558 -9.922 1.00 44.12 H new ATOM 0 HG2 LYS A 34 0.656 -5.457 -9.038 1.00 11.32 H new ATOM 0 HG3 LYS A 34 -0.837 -4.571 -9.275 1.00 11.32 H new ATOM 0 HD2 LYS A 34 -0.152 -4.219 -11.707 1.00 22.42 H new ATOM 0 HD3 LYS A 34 1.206 -5.289 -11.421 1.00 22.42 H new ATOM 0 HE2 LYS A 34 -0.480 -7.007 -10.508 1.00 50.03 H new ATOM 0 HE3 LYS A 34 -1.756 -5.957 -11.090 1.00 50.03 H new ATOM 0 HZ1 LYS A 34 -1.461 -6.635 -13.160 1.00 31.41 H new ATOM 0 HZ2 LYS A 34 0.230 -6.505 -13.082 1.00 31.41 H new ATOM 0 HZ3 LYS A 34 -0.541 -7.904 -12.506 1.00 31.41 H new ATOM 506 N GLU A 35 2.750 -0.936 -9.641 1.00 10.00 N ATOM 507 CA GLU A 35 3.040 0.388 -9.120 1.00 45.03 C ATOM 508 C GLU A 35 1.951 1.345 -9.567 1.00 71.14 C ATOM 509 O GLU A 35 1.213 1.047 -10.503 1.00 74.23 O ATOM 510 CB GLU A 35 4.427 0.854 -9.591 1.00 1.44 C ATOM 511 CG GLU A 35 4.393 1.526 -10.966 1.00 1.41 C ATOM 512 CD GLU A 35 5.766 1.563 -11.597 1.00 73.21 C ATOM 513 OE1 GLU A 35 6.568 2.446 -11.220 1.00 3.11 O ATOM 514 OE2 GLU A 35 5.991 0.707 -12.485 1.00 1.20 O ATOM 0 H GLU A 35 2.320 -0.931 -10.566 1.00 10.00 H new ATOM 0 HA GLU A 35 3.057 0.363 -8.030 1.00 45.03 H new ATOM 0 HB2 GLU A 35 4.838 1.552 -8.861 1.00 1.44 H new ATOM 0 HB3 GLU A 35 5.100 -0.003 -9.627 1.00 1.44 H new ATOM 0 HG2 GLU A 35 3.706 0.988 -11.619 1.00 1.41 H new ATOM 0 HG3 GLU A 35 4.009 2.541 -10.867 1.00 1.41 H new ATOM 519 N VAL A 36 1.928 2.518 -8.955 1.00 30.31 N ATOM 520 CA VAL A 36 1.063 3.645 -9.247 1.00 64.54 C ATOM 521 C VAL A 36 1.973 4.800 -9.709 1.00 21.50 C ATOM 522 O VAL A 36 3.182 4.793 -9.436 1.00 12.00 O ATOM 523 CB VAL A 36 0.261 3.982 -7.963 1.00 42.31 C ATOM 524 CG1 VAL A 36 -0.944 4.884 -8.260 1.00 53.21 C ATOM 525 CG2 VAL A 36 -0.265 2.747 -7.200 1.00 70.24 C ATOM 0 H VAL A 36 2.563 2.720 -8.183 1.00 30.31 H new ATOM 0 HA VAL A 36 0.339 3.440 -10.036 1.00 64.54 H new ATOM 0 HB VAL A 36 0.988 4.495 -7.333 1.00 42.31 H new ATOM 0 HG11 VAL A 36 -1.478 5.095 -7.333 1.00 53.21 H new ATOM 0 HG12 VAL A 36 -0.599 5.819 -8.701 1.00 53.21 H new ATOM 0 HG13 VAL A 36 -1.613 4.379 -8.957 1.00 53.21 H new ATOM 0 HG21 VAL A 36 -0.814 3.072 -6.316 1.00 70.24 H new ATOM 0 HG22 VAL A 36 -0.928 2.174 -7.848 1.00 70.24 H new ATOM 0 HG23 VAL A 36 0.575 2.122 -6.896 1.00 70.24 H new ATOM 535 N LYS A 37 1.406 5.820 -10.356 1.00 42.43 N ATOM 536 CA LYS A 37 2.027 7.119 -10.625 1.00 51.44 C ATOM 537 C LYS A 37 0.987 8.207 -10.356 1.00 72.11 C ATOM 538 O LYS A 37 -0.206 7.908 -10.275 1.00 43.43 O ATOM 539 CB LYS A 37 2.508 7.175 -12.088 1.00 14.24 C ATOM 540 CG LYS A 37 3.945 6.678 -12.313 1.00 63.43 C ATOM 541 CD LYS A 37 4.009 5.683 -13.482 1.00 45.21 C ATOM 542 CE LYS A 37 5.434 5.516 -14.017 1.00 23.12 C ATOM 543 NZ LYS A 37 5.823 6.630 -14.909 1.00 71.13 N ATOM 0 H LYS A 37 0.457 5.760 -10.724 1.00 42.43 H new ATOM 0 HA LYS A 37 2.893 7.271 -9.980 1.00 51.44 H new ATOM 0 HB2 LYS A 37 1.832 6.579 -12.701 1.00 14.24 H new ATOM 0 HB3 LYS A 37 2.435 8.204 -12.441 1.00 14.24 H new ATOM 0 HG2 LYS A 37 4.599 7.526 -12.517 1.00 63.43 H new ATOM 0 HG3 LYS A 37 4.315 6.202 -11.405 1.00 63.43 H new ATOM 0 HD2 LYS A 37 3.629 4.715 -13.155 1.00 45.21 H new ATOM 0 HD3 LYS A 37 3.358 6.026 -14.286 1.00 45.21 H new ATOM 0 HE2 LYS A 37 6.131 5.460 -13.181 1.00 23.12 H new ATOM 0 HE3 LYS A 37 5.510 4.573 -14.559 1.00 23.12 H new ATOM 0 HZ1 LYS A 37 6.794 6.479 -15.250 1.00 71.13 H new ATOM 0 HZ2 LYS A 37 5.173 6.668 -15.720 1.00 71.13 H new ATOM 0 HZ3 LYS A 37 5.775 7.527 -14.385 1.00 71.13 H new ATOM 553 N VAL A 38 1.438 9.456 -10.267 1.00 74.52 N ATOM 554 CA VAL A 38 0.617 10.660 -10.178 1.00 61.32 C ATOM 555 C VAL A 38 0.799 11.478 -11.467 1.00 54.05 C ATOM 556 O VAL A 38 1.613 11.098 -12.314 1.00 5.33 O ATOM 557 CB VAL A 38 0.981 11.455 -8.898 1.00 33.11 C ATOM 558 CG1 VAL A 38 0.590 10.683 -7.633 1.00 10.42 C ATOM 559 CG2 VAL A 38 2.474 11.805 -8.783 1.00 23.20 C ATOM 0 H VAL A 38 2.436 9.666 -10.254 1.00 74.52 H new ATOM 0 HA VAL A 38 -0.440 10.406 -10.093 1.00 61.32 H new ATOM 0 HB VAL A 38 0.415 12.383 -8.985 1.00 33.11 H new ATOM 0 HG11 VAL A 38 0.858 11.267 -6.753 1.00 10.42 H new ATOM 0 HG12 VAL A 38 -0.485 10.502 -7.635 1.00 10.42 H new ATOM 0 HG13 VAL A 38 1.118 9.730 -7.611 1.00 10.42 H new ATOM 0 HG21 VAL A 38 2.648 12.361 -7.861 1.00 23.20 H new ATOM 0 HG22 VAL A 38 3.063 10.888 -8.770 1.00 23.20 H new ATOM 0 HG23 VAL A 38 2.771 12.415 -9.636 1.00 23.20 H new ATOM 569 N SER A 39 0.060 12.582 -11.623 1.00 30.14 N ATOM 570 CA SER A 39 0.337 13.618 -12.616 1.00 1.43 C ATOM 571 C SER A 39 1.626 14.365 -12.243 1.00 43.23 C ATOM 572 O SER A 39 2.394 13.959 -11.365 1.00 32.21 O ATOM 573 CB SER A 39 -0.907 14.516 -12.769 1.00 43.11 C ATOM 574 OG SER A 39 -0.822 15.531 -13.756 1.00 50.12 O ATOM 0 H SER A 39 -0.761 12.781 -11.051 1.00 30.14 H new ATOM 0 HA SER A 39 0.525 13.188 -13.600 1.00 1.43 H new ATOM 0 HB2 SER A 39 -1.763 13.882 -13.001 1.00 43.11 H new ATOM 0 HB3 SER A 39 -1.111 14.987 -11.808 1.00 43.11 H new ATOM 0 HG SER A 39 -1.659 16.041 -13.774 1.00 50.12 H new ATOM 579 N GLU A 40 1.915 15.428 -12.979 1.00 21.40 N ATOM 580 CA GLU A 40 3.235 16.012 -13.047 1.00 32.33 C ATOM 581 C GLU A 40 3.274 17.296 -12.239 1.00 10.04 C ATOM 582 O GLU A 40 2.302 18.057 -12.228 1.00 1.33 O ATOM 583 CB GLU A 40 3.619 16.186 -14.515 1.00 2.20 C ATOM 584 CG GLU A 40 3.341 17.575 -15.118 1.00 23.14 C ATOM 585 CD GLU A 40 3.897 17.732 -16.532 1.00 64.15 C ATOM 586 OE1 GLU A 40 4.970 17.158 -16.836 1.00 62.25 O ATOM 587 OE2 GLU A 40 3.316 18.510 -17.323 1.00 70.23 O ATOM 0 H GLU A 40 1.224 15.912 -13.552 1.00 21.40 H new ATOM 0 HA GLU A 40 3.983 15.359 -12.598 1.00 32.33 H new ATOM 0 HB2 GLU A 40 4.682 15.970 -14.621 1.00 2.20 H new ATOM 0 HB3 GLU A 40 3.082 15.441 -15.103 1.00 2.20 H new ATOM 0 HG2 GLU A 40 2.265 17.749 -15.135 1.00 23.14 H new ATOM 0 HG3 GLU A 40 3.778 18.339 -14.475 1.00 23.14 H new ATOM 592 N GLY A 41 4.395 17.546 -11.564 1.00 70.34 N ATOM 593 CA GLY A 41 4.567 18.690 -10.683 1.00 45.44 C ATOM 594 C GLY A 41 3.437 18.811 -9.662 1.00 54.12 C ATOM 595 O GLY A 41 3.169 19.915 -9.188 1.00 13.30 O ATOM 0 H GLY A 41 5.219 16.948 -11.618 1.00 70.34 H new ATOM 0 HA2 GLY A 41 5.519 18.602 -10.159 1.00 45.44 H new ATOM 0 HA3 GLY A 41 4.614 19.601 -11.279 1.00 45.44 H new ATOM 599 N THR A 42 2.743 17.713 -9.346 1.00 64.43 N ATOM 600 CA THR A 42 1.667 17.667 -8.369 1.00 54.34 C ATOM 601 C THR A 42 2.223 18.029 -6.984 1.00 22.24 C ATOM 602 O THR A 42 1.488 18.557 -6.148 1.00 34.10 O ATOM 603 CB THR A 42 1.042 16.259 -8.451 1.00 23.22 C ATOM 604 OG1 THR A 42 0.569 16.038 -9.772 1.00 5.34 O ATOM 605 CG2 THR A 42 -0.148 16.018 -7.527 1.00 54.45 C ATOM 0 H THR A 42 2.925 16.808 -9.780 1.00 64.43 H new ATOM 0 HA THR A 42 0.881 18.395 -8.568 1.00 54.34 H new ATOM 0 HB THR A 42 1.840 15.583 -8.145 1.00 23.22 H new ATOM 0 HG1 THR A 42 0.172 15.144 -9.832 1.00 5.34 H new ATOM 0 HG21 THR A 42 -0.513 15.000 -7.662 1.00 54.45 H new ATOM 0 HG22 THR A 42 0.161 16.159 -6.491 1.00 54.45 H new ATOM 0 HG23 THR A 42 -0.944 16.723 -7.767 1.00 54.45 H new ATOM 613 N PHE A 43 3.530 17.831 -6.770 1.00 5.00 N ATOM 614 CA PHE A 43 4.235 18.202 -5.557 1.00 13.01 C ATOM 615 C PHE A 43 5.508 18.959 -5.892 1.00 1.02 C ATOM 616 O PHE A 43 5.931 19.009 -7.048 1.00 50.35 O ATOM 617 CB PHE A 43 4.552 16.943 -4.746 1.00 53.03 C ATOM 618 CG PHE A 43 3.356 16.041 -4.603 1.00 71.43 C ATOM 619 CD1 PHE A 43 2.283 16.485 -3.817 1.00 14.12 C ATOM 620 CD2 PHE A 43 3.262 14.847 -5.342 1.00 24.14 C ATOM 621 CE1 PHE A 43 1.096 15.739 -3.769 1.00 25.54 C ATOM 622 CE2 PHE A 43 2.077 14.097 -5.285 1.00 41.21 C ATOM 623 CZ PHE A 43 0.997 14.551 -4.512 1.00 4.23 C ATOM 0 H PHE A 43 4.136 17.394 -7.464 1.00 5.00 H new ATOM 0 HA PHE A 43 3.601 18.858 -4.961 1.00 13.01 H new ATOM 0 HB2 PHE A 43 5.361 16.396 -5.230 1.00 53.03 H new ATOM 0 HB3 PHE A 43 4.908 17.231 -3.757 1.00 53.03 H new ATOM 0 HD1 PHE A 43 2.370 17.400 -3.250 1.00 14.12 H new ATOM 0 HD2 PHE A 43 4.092 14.512 -5.946 1.00 24.14 H new ATOM 0 HE1 PHE A 43 0.265 16.075 -3.166 1.00 25.54 H new ATOM 0 HE2 PHE A 43 1.996 13.171 -5.835 1.00 41.21 H new ATOM 0 HZ PHE A 43 0.080 13.981 -4.488 1.00 4.23 H new ATOM 632 N ASP A 44 6.136 19.511 -4.856 1.00 13.33 N ATOM 633 CA ASP A 44 7.497 20.021 -4.899 1.00 22.50 C ATOM 634 C ASP A 44 8.224 19.389 -3.714 1.00 34.50 C ATOM 635 O ASP A 44 7.711 18.448 -3.096 1.00 3.21 O ATOM 636 CB ASP A 44 7.500 21.560 -4.857 1.00 33.11 C ATOM 637 CG ASP A 44 8.772 22.121 -5.496 1.00 42.35 C ATOM 638 OD1 ASP A 44 9.808 22.234 -4.803 1.00 33.44 O ATOM 639 OD2 ASP A 44 8.759 22.406 -6.714 1.00 23.24 O ATOM 0 H ASP A 44 5.697 19.617 -3.941 1.00 13.33 H new ATOM 0 HA ASP A 44 8.007 19.759 -5.826 1.00 22.50 H new ATOM 0 HB2 ASP A 44 6.625 21.944 -5.382 1.00 33.11 H new ATOM 0 HB3 ASP A 44 7.427 21.900 -3.824 1.00 33.11 H new ATOM 643 N ALA A 45 9.386 19.904 -3.335 1.00 50.21 N ATOM 644 CA ALA A 45 9.968 19.653 -2.036 1.00 31.10 C ATOM 645 C ALA A 45 10.540 20.987 -1.556 1.00 70.11 C ATOM 646 O ALA A 45 11.757 21.192 -1.520 1.00 12.23 O ATOM 647 CB ALA A 45 10.982 18.512 -2.152 1.00 53.32 C ATOM 0 H ALA A 45 9.950 20.511 -3.929 1.00 50.21 H new ATOM 0 HA ALA A 45 9.251 19.313 -1.289 1.00 31.10 H new ATOM 0 HB1 ALA A 45 11.425 18.318 -1.175 1.00 53.32 H new ATOM 0 HB2 ALA A 45 10.479 17.613 -2.508 1.00 53.32 H new ATOM 0 HB3 ALA A 45 11.766 18.792 -2.856 1.00 53.32 H new ATOM 653 N ASP A 46 9.642 21.930 -1.263 1.00 74.41 N ATOM 654 CA ASP A 46 9.972 23.264 -0.771 1.00 4.43 C ATOM 655 C ASP A 46 9.194 23.537 0.506 1.00 31.10 C ATOM 656 O ASP A 46 8.069 23.044 0.667 1.00 70.43 O ATOM 657 CB ASP A 46 9.648 24.351 -1.804 1.00 62.45 C ATOM 658 CG ASP A 46 10.652 25.496 -1.721 1.00 4.33 C ATOM 659 OD1 ASP A 46 10.868 25.990 -0.596 1.00 4.13 O ATOM 660 OD2 ASP A 46 11.205 25.848 -2.790 1.00 61.55 O ATOM 0 H ASP A 46 8.638 21.780 -1.365 1.00 74.41 H new ATOM 0 HA ASP A 46 11.044 23.293 -0.579 1.00 4.43 H new ATOM 0 HB2 ASP A 46 9.661 23.922 -2.806 1.00 62.45 H new ATOM 0 HB3 ASP A 46 8.641 24.732 -1.634 1.00 62.45 H new ATOM 664 N MET A 47 9.767 24.366 1.373 1.00 13.42 N ATOM 665 CA MET A 47 9.258 24.693 2.694 1.00 50.42 C ATOM 666 C MET A 47 7.890 25.364 2.615 1.00 31.30 C ATOM 667 O MET A 47 6.941 24.927 3.274 1.00 45.11 O ATOM 668 CB MET A 47 10.268 25.564 3.468 1.00 22.43 C ATOM 669 CG MET A 47 10.981 26.650 2.642 1.00 42.24 C ATOM 670 SD MET A 47 11.444 28.129 3.582 1.00 65.22 S ATOM 671 CE MET A 47 9.969 29.155 3.350 1.00 32.40 C ATOM 0 H MET A 47 10.640 24.849 1.160 1.00 13.42 H new ATOM 0 HA MET A 47 9.128 23.760 3.243 1.00 50.42 H new ATOM 0 HB2 MET A 47 9.746 26.046 4.295 1.00 22.43 H new ATOM 0 HB3 MET A 47 11.023 24.911 3.905 1.00 22.43 H new ATOM 0 HG2 MET A 47 11.880 26.220 2.200 1.00 42.24 H new ATOM 0 HG3 MET A 47 10.331 26.947 1.819 1.00 42.24 H new ATOM 0 HE1 MET A 47 9.854 29.825 4.202 1.00 32.40 H new ATOM 0 HE2 MET A 47 10.074 29.742 2.438 1.00 32.40 H new ATOM 0 HE3 MET A 47 9.090 28.516 3.271 1.00 32.40 H new ATOM 679 N TYR A 48 7.776 26.444 1.844 1.00 42.43 N ATOM 680 CA TYR A 48 6.521 27.173 1.710 1.00 31.20 C ATOM 681 C TYR A 48 5.546 26.400 0.844 1.00 33.54 C ATOM 682 O TYR A 48 4.349 26.439 1.107 1.00 13.03 O ATOM 683 CB TYR A 48 6.765 28.566 1.110 1.00 13.01 C ATOM 684 CG TYR A 48 7.471 28.563 -0.233 1.00 25.23 C ATOM 685 CD1 TYR A 48 8.873 28.587 -0.263 1.00 1.44 C ATOM 686 CD2 TYR A 48 6.750 28.494 -1.444 1.00 25.21 C ATOM 687 CE1 TYR A 48 9.559 28.525 -1.475 1.00 4.11 C ATOM 688 CE2 TYR A 48 7.435 28.417 -2.673 1.00 12.14 C ATOM 689 CZ TYR A 48 8.850 28.415 -2.691 1.00 1.04 C ATOM 690 OH TYR A 48 9.524 28.287 -3.867 1.00 2.33 O ATOM 0 H TYR A 48 8.545 26.834 1.300 1.00 42.43 H new ATOM 0 HA TYR A 48 6.090 27.291 2.704 1.00 31.20 H new ATOM 0 HB2 TYR A 48 5.806 29.072 1.000 1.00 13.01 H new ATOM 0 HB3 TYR A 48 7.356 29.152 1.814 1.00 13.01 H new ATOM 0 HD1 TYR A 48 9.427 28.654 0.662 1.00 1.44 H new ATOM 0 HD2 TYR A 48 5.670 28.500 -1.429 1.00 25.21 H new ATOM 0 HE1 TYR A 48 10.638 28.561 -1.484 1.00 4.11 H new ATOM 0 HE2 TYR A 48 6.882 28.360 -3.599 1.00 12.14 H new ATOM 0 HH TYR A 48 10.161 27.545 -3.800 1.00 2.33 H new ATOM 699 N LYS A 49 6.044 25.709 -0.184 1.00 25.13 N ATOM 700 CA LYS A 49 5.190 25.053 -1.155 1.00 23.21 C ATOM 701 C LYS A 49 4.493 23.878 -0.490 1.00 2.32 C ATOM 702 O LYS A 49 3.269 23.845 -0.414 1.00 32.32 O ATOM 703 CB LYS A 49 6.034 24.672 -2.382 1.00 71.52 C ATOM 704 CG LYS A 49 5.172 24.378 -3.613 1.00 10.44 C ATOM 705 CD LYS A 49 5.663 25.140 -4.848 1.00 13.23 C ATOM 706 CE LYS A 49 4.572 25.141 -5.918 1.00 4.34 C ATOM 707 NZ LYS A 49 4.966 25.962 -7.078 1.00 5.44 N ATOM 0 H LYS A 49 7.042 25.594 -0.359 1.00 25.13 H new ATOM 0 HA LYS A 49 4.401 25.714 -1.514 1.00 23.21 H new ATOM 0 HB2 LYS A 49 6.725 25.483 -2.611 1.00 71.52 H new ATOM 0 HB3 LYS A 49 6.638 23.796 -2.147 1.00 71.52 H new ATOM 0 HG2 LYS A 49 5.185 23.308 -3.818 1.00 10.44 H new ATOM 0 HG3 LYS A 49 4.137 24.651 -3.405 1.00 10.44 H new ATOM 0 HD2 LYS A 49 5.921 26.164 -4.577 1.00 13.23 H new ATOM 0 HD3 LYS A 49 6.568 24.675 -5.238 1.00 13.23 H new ATOM 0 HE2 LYS A 49 4.375 24.119 -6.242 1.00 4.34 H new ATOM 0 HE3 LYS A 49 3.644 25.525 -5.495 1.00 4.34 H new ATOM 0 HZ1 LYS A 49 4.207 25.945 -7.789 1.00 5.44 H new ATOM 0 HZ2 LYS A 49 5.130 26.942 -6.770 1.00 5.44 H new ATOM 0 HZ3 LYS A 49 5.839 25.579 -7.494 1.00 5.44 H new ATOM 717 N THR A 50 5.250 22.912 0.017 1.00 1.11 N ATOM 718 CA THR A 50 4.677 21.650 0.426 1.00 4.04 C ATOM 719 C THR A 50 4.052 21.692 1.817 1.00 12.33 C ATOM 720 O THR A 50 3.307 20.771 2.153 1.00 71.35 O ATOM 721 CB THR A 50 5.751 20.582 0.278 1.00 54.31 C ATOM 722 OG1 THR A 50 6.796 20.707 1.220 1.00 53.12 O ATOM 723 CG2 THR A 50 6.338 20.615 -1.133 1.00 63.45 C ATOM 0 H THR A 50 6.258 22.985 0.152 1.00 1.11 H new ATOM 0 HA THR A 50 3.834 21.408 -0.221 1.00 4.04 H new ATOM 0 HB THR A 50 5.259 19.627 0.465 1.00 54.31 H new ATOM 0 HG1 THR A 50 7.266 21.555 1.077 1.00 53.12 H new ATOM 0 HG21 THR A 50 7.105 19.846 -1.226 1.00 63.45 H new ATOM 0 HG22 THR A 50 5.548 20.429 -1.860 1.00 63.45 H new ATOM 0 HG23 THR A 50 6.780 21.593 -1.320 1.00 63.45 H new ATOM 731 N SER A 51 4.282 22.756 2.602 1.00 32.14 N ATOM 732 CA SER A 51 3.426 22.995 3.754 1.00 25.20 C ATOM 733 C SER A 51 1.994 23.188 3.267 1.00 5.01 C ATOM 734 O SER A 51 1.076 22.556 3.791 1.00 64.12 O ATOM 735 CB SER A 51 3.903 24.211 4.551 1.00 21.33 C ATOM 736 OG SER A 51 5.205 23.966 5.056 1.00 70.42 O ATOM 0 H SER A 51 5.028 23.438 2.461 1.00 32.14 H new ATOM 0 HA SER A 51 3.470 22.136 4.424 1.00 25.20 H new ATOM 0 HB2 SER A 51 3.909 25.096 3.915 1.00 21.33 H new ATOM 0 HB3 SER A 51 3.215 24.413 5.372 1.00 21.33 H new ATOM 0 HG SER A 51 5.852 24.528 4.580 1.00 70.42 H new ATOM 741 N ASP A 52 1.832 24.023 2.243 1.00 50.35 N ATOM 742 CA ASP A 52 0.550 24.555 1.823 1.00 11.10 C ATOM 743 C ASP A 52 -0.237 23.521 1.035 1.00 45.04 C ATOM 744 O ASP A 52 -1.424 23.349 1.282 1.00 32.43 O ATOM 745 CB ASP A 52 0.792 25.833 0.993 1.00 33.42 C ATOM 746 CG ASP A 52 -0.084 27.012 1.406 1.00 45.05 C ATOM 747 OD1 ASP A 52 -0.435 27.114 2.603 1.00 32.32 O ATOM 748 OD2 ASP A 52 -0.296 27.907 0.554 1.00 13.43 O ATOM 0 H ASP A 52 2.611 24.353 1.673 1.00 50.35 H new ATOM 0 HA ASP A 52 -0.048 24.805 2.699 1.00 11.10 H new ATOM 0 HB2 ASP A 52 1.839 26.121 1.084 1.00 33.42 H new ATOM 0 HB3 ASP A 52 0.613 25.611 -0.059 1.00 33.42 H new ATOM 752 N ILE A 53 0.410 22.813 0.102 1.00 52.25 N ATOM 753 CA ILE A 53 -0.271 21.888 -0.809 1.00 61.14 C ATOM 754 C ILE A 53 -0.964 20.771 -0.020 1.00 70.13 C ATOM 755 O ILE A 53 -2.130 20.471 -0.280 1.00 53.04 O ATOM 756 CB ILE A 53 0.716 21.322 -1.860 1.00 14.03 C ATOM 757 CG1 ILE A 53 1.342 22.426 -2.738 1.00 34.43 C ATOM 758 CG2 ILE A 53 0.010 20.317 -2.789 1.00 11.34 C ATOM 759 CD1 ILE A 53 2.665 21.970 -3.365 1.00 33.41 C ATOM 0 H ILE A 53 1.418 22.865 -0.042 1.00 52.25 H new ATOM 0 HA ILE A 53 -1.041 22.437 -1.351 1.00 61.14 H new ATOM 0 HB ILE A 53 1.507 20.831 -1.294 1.00 14.03 H new ATOM 0 HG12 ILE A 53 0.643 22.704 -3.526 1.00 34.43 H new ATOM 0 HG13 ILE A 53 1.513 23.317 -2.135 1.00 34.43 H new ATOM 0 HG21 ILE A 53 0.723 19.933 -3.519 1.00 11.34 H new ATOM 0 HG22 ILE A 53 -0.385 19.491 -2.198 1.00 11.34 H new ATOM 0 HG23 ILE A 53 -0.808 20.815 -3.309 1.00 11.34 H new ATOM 0 HD11 ILE A 53 3.075 22.775 -3.976 1.00 33.41 H new ATOM 0 HD12 ILE A 53 3.373 21.717 -2.576 1.00 33.41 H new ATOM 0 HD13 ILE A 53 2.489 21.094 -3.989 1.00 33.41 H new ATOM 770 N ALA A 54 -0.261 20.145 0.931 1.00 50.04 N ATOM 771 CA ALA A 54 -0.859 19.105 1.756 1.00 71.31 C ATOM 772 C ALA A 54 -1.950 19.702 2.638 1.00 50.03 C ATOM 773 O ALA A 54 -3.039 19.139 2.753 1.00 52.41 O ATOM 774 CB ALA A 54 0.211 18.414 2.603 1.00 63.44 C ATOM 0 H ALA A 54 0.717 20.343 1.143 1.00 50.04 H new ATOM 0 HA ALA A 54 -1.312 18.355 1.107 1.00 71.31 H new ATOM 0 HB1 ALA A 54 -0.253 17.639 3.214 1.00 63.44 H new ATOM 0 HB2 ALA A 54 0.957 17.962 1.949 1.00 63.44 H new ATOM 0 HB3 ALA A 54 0.692 19.147 3.250 1.00 63.44 H new ATOM 780 N LEU A 55 -1.660 20.842 3.266 1.00 41.44 N ATOM 781 CA LEU A 55 -2.561 21.457 4.223 1.00 22.51 C ATOM 782 C LEU A 55 -3.883 21.856 3.580 1.00 54.31 C ATOM 783 O LEU A 55 -4.920 21.738 4.226 1.00 14.41 O ATOM 784 CB LEU A 55 -1.870 22.666 4.849 1.00 25.23 C ATOM 785 CG LEU A 55 -2.677 23.319 5.983 1.00 13.30 C ATOM 786 CD1 LEU A 55 -3.005 22.355 7.138 1.00 45.35 C ATOM 787 CD2 LEU A 55 -1.858 24.472 6.556 1.00 43.45 C ATOM 0 H LEU A 55 -0.793 21.359 3.121 1.00 41.44 H new ATOM 0 HA LEU A 55 -2.799 20.729 4.999 1.00 22.51 H new ATOM 0 HB2 LEU A 55 -0.899 22.358 5.236 1.00 25.23 H new ATOM 0 HB3 LEU A 55 -1.683 23.409 4.073 1.00 25.23 H new ATOM 0 HG LEU A 55 -3.622 23.648 5.551 1.00 13.30 H new ATOM 0 HD11 LEU A 55 -3.575 22.883 7.902 1.00 45.35 H new ATOM 0 HD12 LEU A 55 -3.593 21.520 6.759 1.00 45.35 H new ATOM 0 HD13 LEU A 55 -2.079 21.979 7.572 1.00 45.35 H new ATOM 0 HD21 LEU A 55 -2.415 24.948 7.363 1.00 43.45 H new ATOM 0 HD22 LEU A 55 -0.913 24.090 6.943 1.00 43.45 H new ATOM 0 HD23 LEU A 55 -1.660 25.202 5.772 1.00 43.45 H new ATOM 798 N ASP A 56 -3.868 22.285 2.321 1.00 10.40 N ATOM 799 CA ASP A 56 -5.075 22.686 1.598 1.00 5.44 C ATOM 800 C ASP A 56 -6.053 21.514 1.490 1.00 22.34 C ATOM 801 O ASP A 56 -7.264 21.684 1.643 1.00 21.22 O ATOM 802 CB ASP A 56 -4.718 23.225 0.192 1.00 2.32 C ATOM 803 CG ASP A 56 -5.168 24.666 -0.074 1.00 44.22 C ATOM 804 OD1 ASP A 56 -5.539 25.384 0.882 1.00 32.13 O ATOM 805 OD2 ASP A 56 -5.107 25.077 -1.260 1.00 33.12 O ATOM 0 H ASP A 56 -3.014 22.365 1.769 1.00 10.40 H new ATOM 0 HA ASP A 56 -5.557 23.486 2.159 1.00 5.44 H new ATOM 0 HB2 ASP A 56 -3.638 23.165 0.058 1.00 2.32 H new ATOM 0 HB3 ASP A 56 -5.168 22.574 -0.557 1.00 2.32 H new ATOM 809 N GLN A 57 -5.530 20.312 1.241 1.00 72.15 N ATOM 810 CA GLN A 57 -6.316 19.090 1.117 1.00 24.23 C ATOM 811 C GLN A 57 -6.777 18.616 2.498 1.00 51.11 C ATOM 812 O GLN A 57 -7.890 18.108 2.636 1.00 61.14 O ATOM 813 CB GLN A 57 -5.489 18.012 0.398 1.00 63.45 C ATOM 814 CG GLN A 57 -5.087 18.468 -1.014 1.00 14.40 C ATOM 815 CD GLN A 57 -4.229 17.450 -1.761 1.00 23.51 C ATOM 816 OE1 GLN A 57 -3.454 16.702 -1.173 1.00 64.54 O ATOM 817 NE2 GLN A 57 -4.306 17.420 -3.079 1.00 73.34 N ATOM 0 H GLN A 57 -4.529 20.161 1.118 1.00 72.15 H new ATOM 0 HA GLN A 57 -7.207 19.288 0.521 1.00 24.23 H new ATOM 0 HB2 GLN A 57 -4.594 17.789 0.979 1.00 63.45 H new ATOM 0 HB3 GLN A 57 -6.066 17.090 0.334 1.00 63.45 H new ATOM 0 HG2 GLN A 57 -5.989 18.667 -1.594 1.00 14.40 H new ATOM 0 HG3 GLN A 57 -4.541 19.409 -0.942 1.00 14.40 H new ATOM 0 HE21 GLN A 57 -4.951 18.042 -3.566 1.00 73.34 H new ATOM 0 HE22 GLN A 57 -3.721 16.775 -3.609 1.00 73.34 H new ATOM 824 N ILE A 58 -5.950 18.804 3.531 1.00 5.12 N ATOM 825 CA ILE A 58 -6.271 18.439 4.910 1.00 25.30 C ATOM 826 C ILE A 58 -7.373 19.345 5.456 1.00 74.22 C ATOM 827 O ILE A 58 -8.245 18.861 6.175 1.00 73.12 O ATOM 828 CB ILE A 58 -4.994 18.481 5.774 1.00 74.44 C ATOM 829 CG1 ILE A 58 -4.047 17.350 5.321 1.00 72.35 C ATOM 830 CG2 ILE A 58 -5.264 18.363 7.287 1.00 30.00 C ATOM 831 CD1 ILE A 58 -2.636 17.535 5.871 1.00 45.21 C ATOM 0 H ILE A 58 -5.025 19.221 3.429 1.00 5.12 H new ATOM 0 HA ILE A 58 -6.653 17.419 4.940 1.00 25.30 H new ATOM 0 HB ILE A 58 -4.538 19.460 5.624 1.00 74.44 H new ATOM 0 HG12 ILE A 58 -4.443 16.390 5.653 1.00 72.35 H new ATOM 0 HG13 ILE A 58 -4.011 17.321 4.232 1.00 72.35 H new ATOM 0 HG21 ILE A 58 -4.319 18.400 7.829 1.00 30.00 H new ATOM 0 HG22 ILE A 58 -5.900 19.188 7.609 1.00 30.00 H new ATOM 0 HG23 ILE A 58 -5.764 17.417 7.495 1.00 30.00 H new ATOM 0 HD11 ILE A 58 -2.002 16.717 5.528 1.00 45.21 H new ATOM 0 HD12 ILE A 58 -2.229 18.483 5.518 1.00 45.21 H new ATOM 0 HD13 ILE A 58 -2.668 17.537 6.961 1.00 45.21 H new ATOM 842 N GLN A 59 -7.337 20.642 5.148 1.00 52.44 N ATOM 843 CA GLN A 59 -8.354 21.588 5.586 1.00 32.10 C ATOM 844 C GLN A 59 -9.626 21.482 4.735 1.00 65.25 C ATOM 845 O GLN A 59 -10.640 22.075 5.114 1.00 54.34 O ATOM 846 CB GLN A 59 -7.772 23.013 5.655 1.00 25.40 C ATOM 847 CG GLN A 59 -6.703 23.080 6.763 1.00 51.22 C ATOM 848 CD GLN A 59 -6.302 24.495 7.166 1.00 73.41 C ATOM 849 OE1 GLN A 59 -6.631 24.943 8.262 1.00 2.43 O ATOM 850 NE2 GLN A 59 -5.569 25.228 6.342 1.00 13.12 N ATOM 0 H GLN A 59 -6.598 21.064 4.586 1.00 52.44 H new ATOM 0 HA GLN A 59 -8.663 21.330 6.599 1.00 32.10 H new ATOM 0 HB2 GLN A 59 -7.333 23.285 4.695 1.00 25.40 H new ATOM 0 HB3 GLN A 59 -8.566 23.732 5.857 1.00 25.40 H new ATOM 0 HG2 GLN A 59 -7.076 22.556 7.643 1.00 51.22 H new ATOM 0 HG3 GLN A 59 -5.815 22.545 6.427 1.00 51.22 H new ATOM 0 HE21 GLN A 59 -5.297 24.855 5.433 1.00 13.12 H new ATOM 0 HE22 GLN A 59 -5.277 26.166 6.617 1.00 13.12 H new ATOM 857 N GLY A 60 -9.616 20.683 3.661 1.00 21.42 N ATOM 858 CA GLY A 60 -10.781 20.404 2.831 1.00 63.44 C ATOM 859 C GLY A 60 -10.979 21.432 1.720 1.00 44.21 C ATOM 860 O GLY A 60 -11.979 21.384 1.009 1.00 5.44 O ATOM 0 H GLY A 60 -8.774 20.204 3.342 1.00 21.42 H new ATOM 0 HA2 GLY A 60 -10.676 19.414 2.388 1.00 63.44 H new ATOM 0 HA3 GLY A 60 -11.671 20.380 3.460 1.00 63.44 H new ATOM 864 N ASN A 61 -10.042 22.367 1.550 1.00 33.51 N ATOM 865 CA ASN A 61 -10.116 23.390 0.515 1.00 34.41 C ATOM 866 C ASN A 61 -9.902 22.763 -0.857 1.00 33.52 C ATOM 867 O ASN A 61 -10.467 23.247 -1.843 1.00 70.15 O ATOM 868 CB ASN A 61 -9.035 24.462 0.708 1.00 34.42 C ATOM 869 CG ASN A 61 -8.981 25.057 2.104 1.00 23.52 C ATOM 870 OD1 ASN A 61 -9.973 25.140 2.823 1.00 64.31 O ATOM 871 ND2 ASN A 61 -7.795 25.453 2.519 1.00 45.02 N ATOM 0 H ASN A 61 -9.207 22.433 2.132 1.00 33.51 H new ATOM 0 HA ASN A 61 -11.103 23.847 0.586 1.00 34.41 H new ATOM 0 HB2 ASN A 61 -8.063 24.027 0.474 1.00 34.42 H new ATOM 0 HB3 ASN A 61 -9.205 25.265 -0.009 1.00 34.42 H new ATOM 0 HD21 ASN A 61 -7.686 25.839 3.457 1.00 45.02 H new ATOM 0 HD22 ASN A 61 -6.986 25.374 1.903 1.00 45.02 H new ATOM 877 N LYS A 62 -9.062 21.721 -0.928 1.00 30.11 N ATOM 878 CA LYS A 62 -8.657 21.073 -2.167 1.00 70.11 C ATOM 879 C LYS A 62 -9.033 19.607 -2.180 1.00 33.32 C ATOM 880 O LYS A 62 -9.084 18.939 -1.142 1.00 65.13 O ATOM 881 CB LYS A 62 -7.150 21.264 -2.418 1.00 65.22 C ATOM 882 CG LYS A 62 -6.836 22.665 -2.959 1.00 52.15 C ATOM 883 CD LYS A 62 -7.252 22.841 -4.429 1.00 71.25 C ATOM 884 CE LYS A 62 -6.044 22.846 -5.362 1.00 4.13 C ATOM 885 NZ LYS A 62 -6.455 23.055 -6.759 1.00 45.34 N ATOM 0 H LYS A 62 -8.639 21.301 -0.100 1.00 30.11 H new ATOM 0 HA LYS A 62 -9.199 21.552 -2.982 1.00 70.11 H new ATOM 0 HB2 LYS A 62 -6.603 21.102 -1.489 1.00 65.22 H new ATOM 0 HB3 LYS A 62 -6.802 20.514 -3.128 1.00 65.22 H new ATOM 0 HG2 LYS A 62 -7.349 23.409 -2.349 1.00 52.15 H new ATOM 0 HG3 LYS A 62 -5.767 22.856 -2.863 1.00 52.15 H new ATOM 0 HD2 LYS A 62 -7.929 22.036 -4.714 1.00 71.25 H new ATOM 0 HD3 LYS A 62 -7.803 23.775 -4.542 1.00 71.25 H new ATOM 0 HE2 LYS A 62 -5.352 23.633 -5.062 1.00 4.13 H new ATOM 0 HE3 LYS A 62 -5.509 21.900 -5.275 1.00 4.13 H new ATOM 0 HZ1 LYS A 62 -5.615 23.054 -7.372 1.00 45.34 H new ATOM 0 HZ2 LYS A 62 -7.097 22.290 -7.050 1.00 45.34 H new ATOM 0 HZ3 LYS A 62 -6.944 23.969 -6.844 1.00 45.34 H new ATOM 895 N ASP A 63 -9.249 19.142 -3.400 1.00 53.43 N ATOM 896 CA ASP A 63 -9.368 17.749 -3.794 1.00 11.33 C ATOM 897 C ASP A 63 -8.012 17.064 -3.661 1.00 10.40 C ATOM 898 O ASP A 63 -6.962 17.707 -3.656 1.00 45.15 O ATOM 899 CB ASP A 63 -9.910 17.619 -5.233 1.00 64.53 C ATOM 900 CG ASP A 63 -9.405 18.720 -6.169 1.00 71.51 C ATOM 901 OD1 ASP A 63 -8.226 18.725 -6.573 1.00 50.45 O ATOM 902 OD2 ASP A 63 -10.181 19.684 -6.380 1.00 5.23 O ATOM 0 H ASP A 63 -9.353 19.772 -4.195 1.00 53.43 H new ATOM 0 HA ASP A 63 -10.082 17.259 -3.133 1.00 11.33 H new ATOM 0 HB2 ASP A 63 -9.623 16.648 -5.636 1.00 64.53 H new ATOM 0 HB3 ASP A 63 -10.999 17.644 -5.208 1.00 64.53 H new ATOM 906 N PHE A 64 -8.055 15.740 -3.520 1.00 21.20 N ATOM 907 CA PHE A 64 -6.907 14.843 -3.450 1.00 42.02 C ATOM 908 C PHE A 64 -6.148 14.810 -4.790 1.00 22.12 C ATOM 909 O PHE A 64 -6.724 15.127 -5.834 1.00 4.43 O ATOM 910 CB PHE A 64 -7.422 13.436 -3.089 1.00 70.34 C ATOM 911 CG PHE A 64 -8.610 12.986 -3.921 1.00 74.43 C ATOM 912 CD1 PHE A 64 -8.430 12.540 -5.243 1.00 11.03 C ATOM 913 CD2 PHE A 64 -9.910 13.072 -3.392 1.00 25.30 C ATOM 914 CE1 PHE A 64 -9.532 12.185 -6.032 1.00 54.24 C ATOM 915 CE2 PHE A 64 -11.015 12.726 -4.184 1.00 62.24 C ATOM 916 CZ PHE A 64 -10.824 12.284 -5.503 1.00 10.13 C ATOM 0 H PHE A 64 -8.941 15.239 -3.448 1.00 21.20 H new ATOM 0 HA PHE A 64 -6.209 15.197 -2.691 1.00 42.02 H new ATOM 0 HB2 PHE A 64 -6.610 12.719 -3.214 1.00 70.34 H new ATOM 0 HB3 PHE A 64 -7.701 13.421 -2.036 1.00 70.34 H new ATOM 0 HD1 PHE A 64 -7.433 12.471 -5.653 1.00 11.03 H new ATOM 0 HD2 PHE A 64 -10.058 13.405 -2.375 1.00 25.30 H new ATOM 0 HE1 PHE A 64 -9.385 11.837 -7.044 1.00 54.24 H new ATOM 0 HE2 PHE A 64 -12.013 12.800 -3.779 1.00 62.24 H new ATOM 0 HZ PHE A 64 -11.677 12.020 -6.111 1.00 10.13 H new ATOM 925 N PRO A 65 -4.876 14.369 -4.805 1.00 45.12 N ATOM 926 CA PRO A 65 -4.142 14.148 -6.040 1.00 50.11 C ATOM 927 C PRO A 65 -4.649 12.927 -6.781 1.00 73.41 C ATOM 928 O PRO A 65 -5.116 11.941 -6.202 1.00 62.12 O ATOM 929 CB PRO A 65 -2.684 13.955 -5.664 1.00 25.11 C ATOM 930 CG PRO A 65 -2.764 13.452 -4.222 1.00 21.32 C ATOM 931 CD PRO A 65 -4.047 14.048 -3.661 1.00 33.44 C ATOM 0 HA PRO A 65 -4.274 15.001 -6.705 1.00 50.11 H new ATOM 0 HB2 PRO A 65 -2.191 13.234 -6.316 1.00 25.11 H new ATOM 0 HB3 PRO A 65 -2.122 14.886 -5.736 1.00 25.11 H new ATOM 0 HG2 PRO A 65 -2.787 12.363 -4.186 1.00 21.32 H new ATOM 0 HG3 PRO A 65 -1.896 13.772 -3.645 1.00 21.32 H new ATOM 0 HD2 PRO A 65 -4.550 13.340 -3.002 1.00 33.44 H new ATOM 0 HD3 PRO A 65 -3.837 14.939 -3.070 1.00 33.44 H new ATOM 936 N GLU A 66 -4.476 12.975 -8.088 1.00 74.15 N ATOM 937 CA GLU A 66 -4.938 11.918 -8.972 1.00 53.05 C ATOM 938 C GLU A 66 -3.917 10.785 -9.015 1.00 62.31 C ATOM 939 O GLU A 66 -2.793 10.923 -8.515 1.00 50.14 O ATOM 940 CB GLU A 66 -5.236 12.489 -10.362 1.00 65.43 C ATOM 941 CG GLU A 66 -6.392 13.491 -10.259 1.00 42.03 C ATOM 942 CD GLU A 66 -6.982 13.804 -11.625 1.00 24.51 C ATOM 943 OE1 GLU A 66 -7.715 12.936 -12.147 1.00 45.04 O ATOM 944 OE2 GLU A 66 -6.724 14.916 -12.144 1.00 74.11 O ATOM 0 H GLU A 66 -4.012 13.746 -8.568 1.00 74.15 H new ATOM 0 HA GLU A 66 -5.868 11.499 -8.588 1.00 53.05 H new ATOM 0 HB2 GLU A 66 -4.349 12.979 -10.765 1.00 65.43 H new ATOM 0 HB3 GLU A 66 -5.496 11.685 -11.050 1.00 65.43 H new ATOM 0 HG2 GLU A 66 -7.169 13.086 -9.610 1.00 42.03 H new ATOM 0 HG3 GLU A 66 -6.037 14.411 -9.795 1.00 42.03 H new ATOM 949 N ILE A 67 -4.309 9.663 -9.617 1.00 53.03 N ATOM 950 CA ILE A 67 -3.435 8.542 -9.912 1.00 74.52 C ATOM 951 C ILE A 67 -3.768 8.004 -11.303 1.00 3.44 C ATOM 952 O ILE A 67 -4.928 8.009 -11.728 1.00 50.41 O ATOM 953 CB ILE A 67 -3.534 7.442 -8.832 1.00 5.44 C ATOM 954 CG1 ILE A 67 -4.988 6.959 -8.635 1.00 30.53 C ATOM 955 CG2 ILE A 67 -2.908 7.928 -7.511 1.00 4.31 C ATOM 956 CD1 ILE A 67 -5.109 5.807 -7.643 1.00 4.14 C ATOM 0 H ILE A 67 -5.271 9.510 -9.919 1.00 53.03 H new ATOM 0 HA ILE A 67 -2.400 8.884 -9.903 1.00 74.52 H new ATOM 0 HB ILE A 67 -2.965 6.579 -9.177 1.00 5.44 H new ATOM 0 HG12 ILE A 67 -5.598 7.794 -8.289 1.00 30.53 H new ATOM 0 HG13 ILE A 67 -5.393 6.646 -9.597 1.00 30.53 H new ATOM 0 HG21 ILE A 67 -2.986 7.141 -6.760 1.00 4.31 H new ATOM 0 HG22 ILE A 67 -1.858 8.172 -7.674 1.00 4.31 H new ATOM 0 HG23 ILE A 67 -3.437 8.815 -7.163 1.00 4.31 H new ATOM 0 HD11 ILE A 67 -6.155 5.515 -7.550 1.00 4.14 H new ATOM 0 HD12 ILE A 67 -4.526 4.958 -7.999 1.00 4.14 H new ATOM 0 HD13 ILE A 67 -4.733 6.124 -6.670 1.00 4.14 H new ATOM 967 N GLN A 68 -2.744 7.499 -11.977 1.00 14.41 N ATOM 968 CA GLN A 68 -2.782 6.876 -13.288 1.00 10.32 C ATOM 969 C GLN A 68 -2.324 5.432 -13.078 1.00 22.44 C ATOM 970 O GLN A 68 -1.321 5.194 -12.394 1.00 25.40 O ATOM 971 CB GLN A 68 -1.950 7.670 -14.313 1.00 52.04 C ATOM 972 CG GLN A 68 -0.518 7.854 -13.828 1.00 43.12 C ATOM 973 CD GLN A 68 0.356 8.796 -14.647 1.00 32.51 C ATOM 974 OE1 GLN A 68 1.414 8.379 -15.106 1.00 22.50 O ATOM 975 NE2 GLN A 68 -0.015 10.059 -14.791 1.00 63.41 N ATOM 0 H GLN A 68 -1.799 7.516 -11.593 1.00 14.41 H new ATOM 0 HA GLN A 68 -3.782 6.876 -13.721 1.00 10.32 H new ATOM 0 HB2 GLN A 68 -1.949 7.147 -15.269 1.00 52.04 H new ATOM 0 HB3 GLN A 68 -2.408 8.644 -14.482 1.00 52.04 H new ATOM 0 HG2 GLN A 68 -0.549 8.221 -12.802 1.00 43.12 H new ATOM 0 HG3 GLN A 68 -0.037 6.876 -13.803 1.00 43.12 H new ATOM 0 HE21 GLN A 68 -0.901 10.378 -14.399 1.00 63.41 H new ATOM 0 HE22 GLN A 68 0.585 10.713 -15.294 1.00 63.41 H new ATOM 982 N LEU A 69 -3.108 4.474 -13.569 1.00 13.43 N ATOM 983 CA LEU A 69 -2.877 3.047 -13.410 1.00 72.31 C ATOM 984 C LEU A 69 -3.710 2.223 -14.396 1.00 23.30 C ATOM 985 O LEU A 69 -4.708 2.700 -14.938 1.00 52.03 O ATOM 986 CB LEU A 69 -3.241 2.640 -11.968 1.00 65.35 C ATOM 987 CG LEU A 69 -2.797 1.220 -11.574 1.00 70.41 C ATOM 988 CD1 LEU A 69 -1.338 0.977 -11.961 1.00 34.14 C ATOM 989 CD2 LEU A 69 -2.944 1.071 -10.066 1.00 54.22 C ATOM 0 H LEU A 69 -3.950 4.682 -14.106 1.00 13.43 H new ATOM 0 HA LEU A 69 -1.825 2.846 -13.614 1.00 72.31 H new ATOM 0 HB2 LEU A 69 -2.789 3.353 -11.278 1.00 65.35 H new ATOM 0 HB3 LEU A 69 -4.321 2.717 -11.844 1.00 65.35 H new ATOM 0 HG LEU A 69 -3.418 0.494 -12.099 1.00 70.41 H new ATOM 0 HD11 LEU A 69 -1.048 -0.033 -11.672 1.00 34.14 H new ATOM 0 HD12 LEU A 69 -1.223 1.093 -13.039 1.00 34.14 H new ATOM 0 HD13 LEU A 69 -0.701 1.698 -11.449 1.00 34.14 H new ATOM 0 HD21 LEU A 69 -2.634 0.070 -9.767 1.00 54.22 H new ATOM 0 HD22 LEU A 69 -2.318 1.809 -9.565 1.00 54.22 H new ATOM 0 HD23 LEU A 69 -3.985 1.227 -9.785 1.00 54.22 H new ATOM 1000 N ASP A 70 -3.307 0.968 -14.579 1.00 14.13 N ATOM 1001 CA ASP A 70 -4.015 -0.164 -15.175 1.00 45.15 C ATOM 1002 C ASP A 70 -5.357 -0.420 -14.487 1.00 73.33 C ATOM 1003 O ASP A 70 -5.631 0.147 -13.426 1.00 43.33 O ATOM 1004 CB ASP A 70 -3.141 -1.425 -15.049 1.00 1.02 C ATOM 1005 CG ASP A 70 -1.799 -1.311 -15.759 1.00 63.25 C ATOM 1006 OD1 ASP A 70 -0.910 -0.601 -15.226 1.00 31.10 O ATOM 1007 OD2 ASP A 70 -1.620 -1.978 -16.800 1.00 74.21 O ATOM 0 H ASP A 70 -2.373 0.688 -14.280 1.00 14.13 H new ATOM 0 HA ASP A 70 -4.210 0.072 -16.221 1.00 45.15 H new ATOM 0 HB2 ASP A 70 -2.967 -1.632 -13.993 1.00 1.02 H new ATOM 0 HB3 ASP A 70 -3.686 -2.277 -15.456 1.00 1.02 H new ATOM 1011 N ASN A 71 -6.196 -1.296 -15.049 1.00 65.54 N ATOM 1012 CA ASN A 71 -7.348 -1.844 -14.341 1.00 73.15 C ATOM 1013 C ASN A 71 -6.932 -3.167 -13.717 1.00 74.32 C ATOM 1014 O ASN A 71 -6.530 -4.090 -14.421 1.00 53.33 O ATOM 1015 CB ASN A 71 -8.556 -2.055 -15.254 1.00 44.14 C ATOM 1016 CG ASN A 71 -9.791 -2.215 -14.383 1.00 70.12 C ATOM 1017 OD1 ASN A 71 -10.463 -1.232 -14.087 1.00 13.02 O ATOM 1018 ND2 ASN A 71 -10.098 -3.406 -13.897 1.00 4.14 N ATOM 0 H ASN A 71 -6.093 -1.641 -16.003 1.00 65.54 H new ATOM 0 HA ASN A 71 -7.657 -1.128 -13.580 1.00 73.15 H new ATOM 0 HB2 ASN A 71 -8.675 -1.207 -15.929 1.00 44.14 H new ATOM 0 HB3 ASN A 71 -8.412 -2.939 -15.875 1.00 44.14 H new ATOM 0 HD21 ASN A 71 -10.897 -3.511 -13.272 1.00 4.14 H new ATOM 0 HD22 ASN A 71 -9.535 -4.219 -14.147 1.00 4.14 H new ATOM 1024 N ILE A 72 -7.031 -3.262 -12.399 1.00 12.14 N ATOM 1025 CA ILE A 72 -6.562 -4.378 -11.588 1.00 45.31 C ATOM 1026 C ILE A 72 -7.739 -4.807 -10.712 1.00 52.01 C ATOM 1027 O ILE A 72 -8.391 -3.957 -10.094 1.00 32.42 O ATOM 1028 CB ILE A 72 -5.315 -3.946 -10.779 1.00 1.32 C ATOM 1029 CG1 ILE A 72 -4.136 -3.599 -11.720 1.00 42.01 C ATOM 1030 CG2 ILE A 72 -4.890 -5.046 -9.787 1.00 41.01 C ATOM 1031 CD1 ILE A 72 -3.011 -2.825 -11.028 1.00 14.10 C ATOM 0 H ILE A 72 -7.462 -2.527 -11.838 1.00 12.14 H new ATOM 0 HA ILE A 72 -6.243 -5.230 -12.189 1.00 45.31 H new ATOM 0 HB ILE A 72 -5.584 -3.054 -10.214 1.00 1.32 H new ATOM 0 HG12 ILE A 72 -3.730 -4.521 -12.136 1.00 42.01 H new ATOM 0 HG13 ILE A 72 -4.511 -3.010 -12.557 1.00 42.01 H new ATOM 0 HG21 ILE A 72 -4.012 -4.716 -9.232 1.00 41.01 H new ATOM 0 HG22 ILE A 72 -5.706 -5.244 -9.091 1.00 41.01 H new ATOM 0 HG23 ILE A 72 -4.652 -5.958 -10.335 1.00 41.01 H new ATOM 0 HD11 ILE A 72 -2.218 -2.616 -11.746 1.00 14.10 H new ATOM 0 HD12 ILE A 72 -3.403 -1.886 -10.636 1.00 14.10 H new ATOM 0 HD13 ILE A 72 -2.610 -3.421 -10.208 1.00 14.10 H new ATOM 1042 N ASP A 73 -7.991 -6.117 -10.673 1.00 42.14 N ATOM 1043 CA ASP A 73 -8.937 -6.781 -9.786 1.00 12.12 C ATOM 1044 C ASP A 73 -8.306 -6.844 -8.395 1.00 52.41 C ATOM 1045 O ASP A 73 -7.433 -7.682 -8.143 1.00 42.23 O ATOM 1046 CB ASP A 73 -9.252 -8.215 -10.258 1.00 53.33 C ATOM 1047 CG ASP A 73 -10.404 -8.340 -11.249 1.00 30.42 C ATOM 1048 OD1 ASP A 73 -10.320 -7.763 -12.350 1.00 54.15 O ATOM 1049 OD2 ASP A 73 -11.372 -9.066 -10.926 1.00 41.43 O ATOM 0 H ASP A 73 -7.515 -6.773 -11.292 1.00 42.14 H new ATOM 0 HA ASP A 73 -9.871 -6.220 -9.781 1.00 12.12 H new ATOM 0 HB2 ASP A 73 -8.355 -8.634 -10.715 1.00 53.33 H new ATOM 0 HB3 ASP A 73 -9.479 -8.825 -9.384 1.00 53.33 H new ATOM 1053 N TYR A 74 -8.740 -5.971 -7.489 1.00 53.42 N ATOM 1054 CA TYR A 74 -8.281 -5.887 -6.106 1.00 31.31 C ATOM 1055 C TYR A 74 -8.991 -6.867 -5.163 1.00 14.23 C ATOM 1056 O TYR A 74 -8.883 -6.695 -3.950 1.00 50.11 O ATOM 1057 CB TYR A 74 -8.435 -4.436 -5.605 1.00 71.41 C ATOM 1058 CG TYR A 74 -7.583 -3.425 -6.346 1.00 54.44 C ATOM 1059 CD1 TYR A 74 -6.200 -3.649 -6.464 1.00 23.42 C ATOM 1060 CD2 TYR A 74 -8.154 -2.266 -6.905 1.00 61.11 C ATOM 1061 CE1 TYR A 74 -5.396 -2.748 -7.173 1.00 3.42 C ATOM 1062 CE2 TYR A 74 -7.346 -1.338 -7.587 1.00 33.41 C ATOM 1063 CZ TYR A 74 -5.962 -1.591 -7.737 1.00 73.23 C ATOM 1064 OH TYR A 74 -5.153 -0.751 -8.430 1.00 34.53 O ATOM 0 H TYR A 74 -9.451 -5.274 -7.709 1.00 53.42 H new ATOM 0 HA TYR A 74 -7.231 -6.179 -6.096 1.00 31.31 H new ATOM 0 HB2 TYR A 74 -9.482 -4.144 -5.691 1.00 71.41 H new ATOM 0 HB3 TYR A 74 -8.180 -4.401 -4.546 1.00 71.41 H new ATOM 0 HD1 TYR A 74 -5.756 -4.520 -6.006 1.00 23.42 H new ATOM 0 HD2 TYR A 74 -9.215 -2.089 -6.810 1.00 61.11 H new ATOM 0 HE1 TYR A 74 -4.340 -2.942 -7.287 1.00 3.42 H new ATOM 0 HE2 TYR A 74 -7.780 -0.437 -7.994 1.00 33.41 H new ATOM 0 HH TYR A 74 -5.677 0.006 -8.765 1.00 34.53 H new ATOM 1073 N ASN A 75 -9.728 -7.867 -5.668 1.00 5.33 N ATOM 1074 CA ASN A 75 -10.523 -8.777 -4.825 1.00 42.54 C ATOM 1075 C ASN A 75 -9.938 -10.195 -4.731 1.00 31.33 C ATOM 1076 O ASN A 75 -10.407 -10.988 -3.917 1.00 43.23 O ATOM 1077 CB ASN A 75 -11.977 -8.835 -5.331 1.00 32.00 C ATOM 1078 CG ASN A 75 -12.996 -8.855 -4.191 1.00 61.33 C ATOM 1079 OD1 ASN A 75 -13.881 -8.004 -4.145 1.00 3.33 O ATOM 1080 ND2 ASN A 75 -12.890 -9.785 -3.259 1.00 64.24 N ATOM 0 H ASN A 75 -9.791 -8.069 -6.666 1.00 5.33 H new ATOM 0 HA ASN A 75 -10.495 -8.365 -3.816 1.00 42.54 H new ATOM 0 HB2 ASN A 75 -12.170 -7.974 -5.971 1.00 32.00 H new ATOM 0 HB3 ASN A 75 -12.108 -9.725 -5.946 1.00 32.00 H new ATOM 0 HD21 ASN A 75 -13.550 -9.806 -2.482 1.00 64.24 H new ATOM 0 HD22 ASN A 75 -12.148 -10.482 -3.316 1.00 64.24 H new ATOM 1086 N ASN A 76 -8.944 -10.530 -5.562 1.00 41.45 N ATOM 1087 CA ASN A 76 -8.476 -11.902 -5.796 1.00 32.44 C ATOM 1088 C ASN A 76 -7.261 -12.299 -4.939 1.00 30.14 C ATOM 1089 O ASN A 76 -6.615 -13.313 -5.228 1.00 54.12 O ATOM 1090 CB ASN A 76 -8.090 -12.062 -7.277 1.00 13.23 C ATOM 1091 CG ASN A 76 -9.214 -11.817 -8.262 1.00 31.50 C ATOM 1092 OD1 ASN A 76 -10.384 -12.063 -7.984 1.00 54.44 O ATOM 1093 ND2 ASN A 76 -8.865 -11.367 -9.450 1.00 10.20 N ATOM 0 H ASN A 76 -8.429 -9.837 -6.105 1.00 41.45 H new ATOM 0 HA ASN A 76 -9.301 -12.556 -5.515 1.00 32.44 H new ATOM 0 HB2 ASN A 76 -7.275 -11.374 -7.501 1.00 13.23 H new ATOM 0 HB3 ASN A 76 -7.707 -13.071 -7.430 1.00 13.23 H new ATOM 0 HD21 ASN A 76 -9.575 -11.215 -10.166 1.00 10.20 H new ATOM 0 HD22 ASN A 76 -7.885 -11.171 -9.653 1.00 10.20 H new ATOM 1099 N TYR A 77 -6.876 -11.468 -3.972 1.00 50.33 N ATOM 1100 CA TYR A 77 -5.600 -11.496 -3.275 1.00 65.31 C ATOM 1101 C TYR A 77 -5.841 -11.587 -1.782 1.00 50.42 C ATOM 1102 O TYR A 77 -6.553 -10.754 -1.225 1.00 14.40 O ATOM 1103 CB TYR A 77 -4.754 -10.273 -3.648 1.00 24.20 C ATOM 1104 CG TYR A 77 -4.302 -10.335 -5.087 1.00 13.23 C ATOM 1105 CD1 TYR A 77 -5.141 -9.903 -6.133 1.00 21.10 C ATOM 1106 CD2 TYR A 77 -3.060 -10.913 -5.375 1.00 74.21 C ATOM 1107 CE1 TYR A 77 -4.753 -10.088 -7.471 1.00 44.05 C ATOM 1108 CE2 TYR A 77 -2.659 -11.085 -6.703 1.00 30.12 C ATOM 1109 CZ TYR A 77 -3.495 -10.672 -7.755 1.00 14.42 C ATOM 1110 OH TYR A 77 -3.054 -10.893 -9.018 1.00 73.51 O ATOM 0 H TYR A 77 -7.482 -10.718 -3.639 1.00 50.33 H new ATOM 0 HA TYR A 77 -5.036 -12.377 -3.581 1.00 65.31 H new ATOM 0 HB2 TYR A 77 -5.334 -9.364 -3.486 1.00 24.20 H new ATOM 0 HB3 TYR A 77 -3.884 -10.217 -2.994 1.00 24.20 H new ATOM 0 HD1 TYR A 77 -6.084 -9.429 -5.906 1.00 21.10 H new ATOM 0 HD2 TYR A 77 -2.411 -11.226 -4.571 1.00 74.21 H new ATOM 0 HE1 TYR A 77 -5.408 -9.787 -8.275 1.00 44.05 H new ATOM 0 HE2 TYR A 77 -1.703 -11.537 -6.922 1.00 30.12 H new ATOM 0 HH TYR A 77 -2.075 -10.862 -9.033 1.00 73.51 H new ATOM 1119 N ASP A 78 -5.257 -12.610 -1.157 1.00 51.34 N ATOM 1120 CA ASP A 78 -5.444 -12.893 0.266 1.00 5.21 C ATOM 1121 C ASP A 78 -4.980 -11.693 1.092 1.00 1.31 C ATOM 1122 O ASP A 78 -5.718 -11.212 1.953 1.00 33.13 O ATOM 1123 CB ASP A 78 -4.690 -14.173 0.663 1.00 21.14 C ATOM 1124 CG ASP A 78 -5.471 -14.986 1.695 1.00 70.24 C ATOM 1125 OD1 ASP A 78 -6.466 -15.615 1.270 1.00 63.14 O ATOM 1126 OD2 ASP A 78 -5.090 -15.047 2.889 1.00 64.32 O ATOM 0 H ASP A 78 -4.637 -13.270 -1.627 1.00 51.34 H new ATOM 0 HA ASP A 78 -6.502 -13.061 0.466 1.00 5.21 H new ATOM 0 HB2 ASP A 78 -4.513 -14.782 -0.223 1.00 21.14 H new ATOM 0 HB3 ASP A 78 -3.713 -13.910 1.069 1.00 21.14 H new ATOM 1130 N LEU A 79 -3.799 -11.169 0.739 1.00 5.22 N ATOM 1131 CA LEU A 79 -3.083 -10.066 1.378 1.00 42.34 C ATOM 1132 C LEU A 79 -2.722 -9.033 0.297 1.00 52.43 C ATOM 1133 O LEU A 79 -2.500 -9.409 -0.863 1.00 41.53 O ATOM 1134 CB LEU A 79 -1.810 -10.663 2.022 1.00 61.01 C ATOM 1135 CG LEU A 79 -1.298 -10.009 3.320 1.00 43.13 C ATOM 1136 CD1 LEU A 79 -0.015 -10.717 3.747 1.00 41.12 C ATOM 1137 CD2 LEU A 79 -1.001 -8.510 3.217 1.00 14.40 C ATOM 0 H LEU A 79 -3.284 -11.535 -0.061 1.00 5.22 H new ATOM 0 HA LEU A 79 -3.683 -9.571 2.142 1.00 42.34 H new ATOM 0 HB2 LEU A 79 -1.999 -11.717 2.228 1.00 61.01 H new ATOM 0 HB3 LEU A 79 -1.008 -10.621 1.285 1.00 61.01 H new ATOM 0 HG LEU A 79 -2.106 -10.113 4.044 1.00 43.13 H new ATOM 0 HD11 LEU A 79 0.361 -10.266 4.665 1.00 41.12 H new ATOM 0 HD12 LEU A 79 -0.222 -11.773 3.920 1.00 41.12 H new ATOM 0 HD13 LEU A 79 0.734 -10.618 2.961 1.00 41.12 H new ATOM 0 HD21 LEU A 79 -0.647 -8.142 4.180 1.00 14.40 H new ATOM 0 HD22 LEU A 79 -0.235 -8.342 2.460 1.00 14.40 H new ATOM 0 HD23 LEU A 79 -1.910 -7.977 2.937 1.00 14.40 H new ATOM 1148 N ILE A 80 -2.603 -7.749 0.644 1.00 30.04 N ATOM 1149 CA ILE A 80 -2.113 -6.691 -0.235 1.00 73.15 C ATOM 1150 C ILE A 80 -1.106 -5.821 0.552 1.00 33.41 C ATOM 1151 O ILE A 80 -1.238 -5.643 1.763 1.00 33.34 O ATOM 1152 CB ILE A 80 -3.310 -5.893 -0.826 1.00 13.40 C ATOM 1153 CG1 ILE A 80 -4.376 -6.830 -1.467 1.00 73.01 C ATOM 1154 CG2 ILE A 80 -2.816 -4.848 -1.850 1.00 10.33 C ATOM 1155 CD1 ILE A 80 -5.537 -6.112 -2.167 1.00 22.00 C ATOM 0 H ILE A 80 -2.853 -7.410 1.573 1.00 30.04 H new ATOM 0 HA ILE A 80 -1.581 -7.103 -1.092 1.00 73.15 H new ATOM 0 HB ILE A 80 -3.792 -5.372 0.001 1.00 13.40 H new ATOM 0 HG12 ILE A 80 -3.880 -7.477 -2.191 1.00 73.01 H new ATOM 0 HG13 ILE A 80 -4.784 -7.476 -0.689 1.00 73.01 H new ATOM 0 HG21 ILE A 80 -3.669 -4.301 -2.252 1.00 10.33 H new ATOM 0 HG22 ILE A 80 -2.136 -4.151 -1.360 1.00 10.33 H new ATOM 0 HG23 ILE A 80 -2.294 -5.353 -2.663 1.00 10.33 H new ATOM 0 HD11 ILE A 80 -6.225 -6.850 -2.580 1.00 22.00 H new ATOM 0 HD12 ILE A 80 -6.065 -5.487 -1.447 1.00 22.00 H new ATOM 0 HD13 ILE A 80 -5.147 -5.489 -2.972 1.00 22.00 H new ATOM 1166 N LEU A 81 -0.092 -5.246 -0.107 1.00 11.11 N ATOM 1167 CA LEU A 81 0.832 -4.274 0.484 1.00 30.31 C ATOM 1168 C LEU A 81 0.962 -3.053 -0.419 1.00 45.41 C ATOM 1169 O LEU A 81 0.818 -3.160 -1.640 1.00 53.43 O ATOM 1170 CB LEU A 81 2.232 -4.860 0.732 1.00 65.23 C ATOM 1171 CG LEU A 81 2.290 -5.964 1.805 1.00 43.34 C ATOM 1172 CD1 LEU A 81 2.141 -7.353 1.177 1.00 61.31 C ATOM 1173 CD2 LEU A 81 3.627 -5.891 2.547 1.00 32.34 C ATOM 0 H LEU A 81 0.112 -5.449 -1.086 1.00 11.11 H new ATOM 0 HA LEU A 81 0.410 -3.993 1.449 1.00 30.31 H new ATOM 0 HB2 LEU A 81 2.613 -5.264 -0.206 1.00 65.23 H new ATOM 0 HB3 LEU A 81 2.902 -4.052 1.026 1.00 65.23 H new ATOM 0 HG LEU A 81 1.465 -5.805 2.500 1.00 43.34 H new ATOM 0 HD11 LEU A 81 2.186 -8.112 1.958 1.00 61.31 H new ATOM 0 HD12 LEU A 81 1.183 -7.418 0.662 1.00 61.31 H new ATOM 0 HD13 LEU A 81 2.948 -7.518 0.464 1.00 61.31 H new ATOM 0 HD21 LEU A 81 3.665 -6.673 3.305 1.00 32.34 H new ATOM 0 HD22 LEU A 81 4.444 -6.031 1.839 1.00 32.34 H new ATOM 0 HD23 LEU A 81 3.725 -4.916 3.025 1.00 32.34 H new ATOM 1184 N ILE A 82 1.280 -1.901 0.174 1.00 45.03 N ATOM 1185 CA ILE A 82 1.381 -0.616 -0.507 1.00 50.33 C ATOM 1186 C ILE A 82 2.611 0.141 0.009 1.00 41.21 C ATOM 1187 O ILE A 82 2.910 0.114 1.203 1.00 72.55 O ATOM 1188 CB ILE A 82 0.044 0.150 -0.310 1.00 65.54 C ATOM 1189 CG1 ILE A 82 -1.107 -0.457 -1.155 1.00 5.44 C ATOM 1190 CG2 ILE A 82 0.150 1.636 -0.667 1.00 65.24 C ATOM 1191 CD1 ILE A 82 -2.103 -1.270 -0.326 1.00 62.33 C ATOM 0 H ILE A 82 1.480 -1.838 1.172 1.00 45.03 H new ATOM 0 HA ILE A 82 1.529 -0.737 -1.580 1.00 50.33 H new ATOM 0 HB ILE A 82 -0.177 0.049 0.753 1.00 65.54 H new ATOM 0 HG12 ILE A 82 -1.639 0.348 -1.663 1.00 5.44 H new ATOM 0 HG13 ILE A 82 -0.682 -1.096 -1.929 1.00 5.44 H new ATOM 0 HG21 ILE A 82 -0.815 2.118 -0.509 1.00 65.24 H new ATOM 0 HG22 ILE A 82 0.900 2.110 -0.034 1.00 65.24 H new ATOM 0 HG23 ILE A 82 0.440 1.739 -1.713 1.00 65.24 H new ATOM 0 HD11 ILE A 82 -2.882 -1.666 -0.978 1.00 62.33 H new ATOM 0 HD12 ILE A 82 -1.583 -2.095 0.161 1.00 62.33 H new ATOM 0 HD13 ILE A 82 -2.555 -0.629 0.431 1.00 62.33 H new ATOM 1202 N GLY A 83 3.295 0.888 -0.863 1.00 33.42 N ATOM 1203 CA GLY A 83 4.501 1.654 -0.540 1.00 53.41 C ATOM 1204 C GLY A 83 4.345 3.125 -0.917 1.00 71.42 C ATOM 1205 O GLY A 83 3.833 3.414 -1.999 1.00 21.31 O ATOM 0 H GLY A 83 3.017 0.979 -1.840 1.00 33.42 H new ATOM 0 HA2 GLY A 83 4.712 1.571 0.526 1.00 53.41 H new ATOM 0 HA3 GLY A 83 5.355 1.230 -1.068 1.00 53.41 H new ATOM 1209 N SER A 84 4.813 4.043 -0.064 1.00 32.32 N ATOM 1210 CA SER A 84 4.624 5.487 -0.219 1.00 32.41 C ATOM 1211 C SER A 84 5.857 6.302 0.233 1.00 51.03 C ATOM 1212 O SER A 84 6.647 5.803 1.041 1.00 33.30 O ATOM 1213 CB SER A 84 3.442 5.903 0.661 1.00 71.31 C ATOM 1214 OG SER A 84 2.279 5.135 0.442 1.00 51.43 O ATOM 0 H SER A 84 5.345 3.796 0.771 1.00 32.32 H new ATOM 0 HA SER A 84 4.456 5.690 -1.277 1.00 32.41 H new ATOM 0 HB2 SER A 84 3.732 5.818 1.708 1.00 71.31 H new ATOM 0 HB3 SER A 84 3.214 6.953 0.477 1.00 71.31 H new ATOM 0 HG SER A 84 1.564 5.449 1.034 1.00 51.43 H new ATOM 1219 N PRO A 85 6.021 7.563 -0.223 1.00 14.00 N ATOM 1220 CA PRO A 85 6.928 8.544 0.382 1.00 33.22 C ATOM 1221 C PRO A 85 6.381 9.116 1.694 1.00 34.52 C ATOM 1222 O PRO A 85 5.187 8.985 1.974 1.00 74.34 O ATOM 1223 CB PRO A 85 7.069 9.662 -0.666 1.00 74.54 C ATOM 1224 CG PRO A 85 5.793 9.583 -1.500 1.00 45.45 C ATOM 1225 CD PRO A 85 5.348 8.125 -1.387 1.00 4.33 C ATOM 0 HA PRO A 85 7.880 8.080 0.638 1.00 33.22 H new ATOM 0 HB2 PRO A 85 7.171 10.638 -0.191 1.00 74.54 H new ATOM 0 HB3 PRO A 85 7.955 9.514 -1.284 1.00 74.54 H new ATOM 0 HG2 PRO A 85 5.029 10.261 -1.120 1.00 45.45 H new ATOM 0 HG3 PRO A 85 5.980 9.861 -2.537 1.00 45.45 H new ATOM 0 HD2 PRO A 85 4.266 8.060 -1.276 1.00 4.33 H new ATOM 0 HD3 PRO A 85 5.610 7.571 -2.289 1.00 4.33 H new ATOM 1230 N VAL A 86 7.226 9.820 2.454 1.00 10.34 N ATOM 1231 CA VAL A 86 6.809 10.713 3.536 1.00 24.54 C ATOM 1232 C VAL A 86 7.331 12.138 3.274 1.00 32.42 C ATOM 1233 O VAL A 86 8.447 12.345 2.788 1.00 64.15 O ATOM 1234 CB VAL A 86 7.273 10.184 4.912 1.00 11.21 C ATOM 1235 CG1 VAL A 86 6.543 10.921 6.045 1.00 13.00 C ATOM 1236 CG2 VAL A 86 7.018 8.691 5.139 1.00 63.22 C ATOM 0 H VAL A 86 8.238 9.783 2.331 1.00 10.34 H new ATOM 0 HA VAL A 86 5.720 10.745 3.558 1.00 24.54 H new ATOM 0 HB VAL A 86 8.349 10.359 4.917 1.00 11.21 H new ATOM 0 HG11 VAL A 86 6.882 10.536 7.007 1.00 13.00 H new ATOM 0 HG12 VAL A 86 6.760 11.987 5.984 1.00 13.00 H new ATOM 0 HG13 VAL A 86 5.469 10.763 5.949 1.00 13.00 H new ATOM 0 HG21 VAL A 86 7.375 8.407 6.129 1.00 63.22 H new ATOM 0 HG22 VAL A 86 5.949 8.489 5.067 1.00 63.22 H new ATOM 0 HG23 VAL A 86 7.548 8.112 4.383 1.00 63.22 H new ATOM 1246 N TRP A 87 6.520 13.128 3.658 1.00 61.22 N ATOM 1247 CA TRP A 87 6.783 14.562 3.569 1.00 5.14 C ATOM 1248 C TRP A 87 7.079 15.124 4.976 1.00 22.32 C ATOM 1249 O TRP A 87 7.378 14.365 5.904 1.00 72.21 O ATOM 1250 CB TRP A 87 5.605 15.243 2.849 1.00 65.12 C ATOM 1251 CG TRP A 87 5.849 15.964 1.548 1.00 71.45 C ATOM 1252 CD1 TRP A 87 7.034 16.285 0.960 1.00 71.45 C ATOM 1253 CD2 TRP A 87 4.824 16.557 0.695 1.00 25.32 C ATOM 1254 NE1 TRP A 87 6.803 17.008 -0.199 1.00 11.21 N ATOM 1255 CE2 TRP A 87 5.465 17.195 -0.397 1.00 74.25 C ATOM 1256 CE3 TRP A 87 3.418 16.669 0.744 1.00 64.33 C ATOM 1257 CZ2 TRP A 87 4.779 17.951 -1.340 1.00 24.51 C ATOM 1258 CZ3 TRP A 87 2.717 17.473 -0.175 1.00 22.33 C ATOM 1259 CH2 TRP A 87 3.404 18.162 -1.184 1.00 30.31 C ATOM 0 H TRP A 87 5.605 12.934 4.065 1.00 61.22 H new ATOM 0 HA TRP A 87 7.672 14.769 2.973 1.00 5.14 H new ATOM 0 HB2 TRP A 87 4.850 14.479 2.663 1.00 65.12 H new ATOM 0 HB3 TRP A 87 5.168 15.961 3.543 1.00 65.12 H new ATOM 0 HD1 TRP A 87 8.009 16.016 1.340 1.00 71.45 H new ATOM 0 HE1 TRP A 87 7.534 17.354 -0.821 1.00 11.21 H new ATOM 0 HE3 TRP A 87 2.869 16.128 1.501 1.00 64.33 H new ATOM 0 HZ2 TRP A 87 5.302 18.372 -2.186 1.00 24.51 H new ATOM 0 HZ3 TRP A 87 1.643 17.559 -0.102 1.00 22.33 H new ATOM 0 HH2 TRP A 87 2.879 18.847 -1.833 1.00 30.31 H new ATOM 1269 N SER A 88 7.040 16.444 5.169 1.00 21.20 N ATOM 1270 CA SER A 88 7.427 17.157 6.391 1.00 41.05 C ATOM 1271 C SER A 88 6.569 16.889 7.648 1.00 4.32 C ATOM 1272 O SER A 88 6.650 17.644 8.617 1.00 71.12 O ATOM 1273 CB SER A 88 7.479 18.652 6.063 1.00 10.10 C ATOM 1274 OG SER A 88 8.277 18.887 4.911 1.00 4.20 O ATOM 0 H SER A 88 6.720 17.080 4.438 1.00 21.20 H new ATOM 0 HA SER A 88 8.401 16.764 6.681 1.00 41.05 H new ATOM 0 HB2 SER A 88 6.470 19.028 5.895 1.00 10.10 H new ATOM 0 HB3 SER A 88 7.886 19.201 6.912 1.00 10.10 H new ATOM 0 HG SER A 88 8.296 19.847 4.717 1.00 4.20 H new ATOM 1279 N GLY A 89 5.772 15.820 7.694 1.00 12.40 N ATOM 1280 CA GLY A 89 4.994 15.400 8.853 1.00 10.22 C ATOM 1281 C GLY A 89 3.806 14.544 8.446 1.00 2.34 C ATOM 1282 O GLY A 89 3.406 13.645 9.185 1.00 32.40 O ATOM 0 H GLY A 89 5.648 15.202 6.892 1.00 12.40 H new ATOM 0 HA2 GLY A 89 5.631 14.839 9.536 1.00 10.22 H new ATOM 0 HA3 GLY A 89 4.642 16.278 9.394 1.00 10.22 H new ATOM 1286 N TYR A 90 3.270 14.783 7.254 1.00 51.22 N ATOM 1287 CA TYR A 90 2.069 14.167 6.729 1.00 54.44 C ATOM 1288 C TYR A 90 2.376 13.822 5.256 1.00 10.12 C ATOM 1289 O TYR A 90 3.152 14.554 4.637 1.00 4.02 O ATOM 1290 CB TYR A 90 0.939 15.192 6.924 1.00 61.44 C ATOM 1291 CG TYR A 90 -0.400 14.781 6.381 1.00 2.40 C ATOM 1292 CD1 TYR A 90 -0.571 14.771 4.997 1.00 5.43 C ATOM 1293 CD2 TYR A 90 -1.440 14.342 7.217 1.00 31.02 C ATOM 1294 CE1 TYR A 90 -1.682 14.141 4.435 1.00 10.20 C ATOM 1295 CE2 TYR A 90 -2.572 13.723 6.658 1.00 1.42 C ATOM 1296 CZ TYR A 90 -2.673 13.578 5.257 1.00 12.10 C ATOM 1297 OH TYR A 90 -3.676 12.871 4.677 1.00 22.04 O ATOM 0 H TYR A 90 3.686 15.445 6.600 1.00 51.22 H new ATOM 0 HA TYR A 90 1.758 13.246 7.222 1.00 54.44 H new ATOM 0 HB2 TYR A 90 0.834 15.394 7.990 1.00 61.44 H new ATOM 0 HB3 TYR A 90 1.234 16.128 6.449 1.00 61.44 H new ATOM 0 HD1 TYR A 90 0.157 15.251 4.360 1.00 5.43 H new ATOM 0 HD2 TYR A 90 -1.370 14.480 8.286 1.00 31.02 H new ATOM 0 HE1 TYR A 90 -1.781 14.086 3.361 1.00 10.20 H new ATOM 0 HE2 TYR A 90 -3.362 13.359 7.298 1.00 1.42 H new ATOM 0 HH TYR A 90 -4.398 12.735 5.325 1.00 22.04 H new ATOM 1306 N PRO A 91 1.865 12.712 4.698 1.00 71.23 N ATOM 1307 CA PRO A 91 2.195 12.261 3.342 1.00 21.24 C ATOM 1308 C PRO A 91 1.609 13.156 2.237 1.00 63.52 C ATOM 1309 O PRO A 91 0.673 13.910 2.460 1.00 54.45 O ATOM 1310 CB PRO A 91 1.665 10.823 3.262 1.00 23.21 C ATOM 1311 CG PRO A 91 0.618 10.707 4.364 1.00 52.42 C ATOM 1312 CD PRO A 91 1.027 11.753 5.392 1.00 13.00 C ATOM 0 HA PRO A 91 3.270 12.315 3.168 1.00 21.24 H new ATOM 0 HB2 PRO A 91 1.228 10.621 2.284 1.00 23.21 H new ATOM 0 HB3 PRO A 91 2.468 10.101 3.408 1.00 23.21 H new ATOM 0 HG2 PRO A 91 -0.384 10.898 3.981 1.00 52.42 H new ATOM 0 HG3 PRO A 91 0.608 9.707 4.798 1.00 52.42 H new ATOM 0 HD2 PRO A 91 0.150 12.241 5.817 1.00 13.00 H new ATOM 0 HD3 PRO A 91 1.568 11.293 6.219 1.00 13.00 H new ATOM 1317 N ALA A 92 2.100 13.020 1.007 1.00 5.30 N ATOM 1318 CA ALA A 92 1.641 13.700 -0.211 1.00 25.51 C ATOM 1319 C ALA A 92 0.310 13.123 -0.737 1.00 65.45 C ATOM 1320 O ALA A 92 0.120 12.976 -1.946 1.00 30.11 O ATOM 1321 CB ALA A 92 2.763 13.539 -1.243 1.00 5.33 C ATOM 0 H ALA A 92 2.881 12.391 0.818 1.00 5.30 H new ATOM 0 HA ALA A 92 1.438 14.751 -0.005 1.00 25.51 H new ATOM 0 HB1 ALA A 92 2.475 14.028 -2.173 1.00 5.33 H new ATOM 0 HB2 ALA A 92 3.677 13.995 -0.861 1.00 5.33 H new ATOM 0 HB3 ALA A 92 2.937 12.479 -1.429 1.00 5.33 H new ATOM 1327 N THR A 93 -0.536 12.645 0.176 1.00 52.22 N ATOM 1328 CA THR A 93 -1.855 12.049 -0.036 1.00 70.31 C ATOM 1329 C THR A 93 -1.907 11.047 -1.225 1.00 31.33 C ATOM 1330 O THR A 93 -2.861 11.085 -1.999 1.00 3.23 O ATOM 1331 CB THR A 93 -2.882 13.211 -0.153 1.00 2.12 C ATOM 1332 OG1 THR A 93 -2.444 14.214 -1.049 1.00 70.14 O ATOM 1333 CG2 THR A 93 -3.102 13.977 1.156 1.00 53.12 C ATOM 0 H THR A 93 -0.295 12.667 1.167 1.00 52.22 H new ATOM 0 HA THR A 93 -2.111 11.421 0.818 1.00 70.31 H new ATOM 0 HB THR A 93 -3.790 12.704 -0.478 1.00 2.12 H new ATOM 0 HG1 THR A 93 -2.895 15.059 -0.841 1.00 70.14 H new ATOM 0 HG21 THR A 93 -3.831 14.771 0.995 1.00 53.12 H new ATOM 0 HG22 THR A 93 -3.473 13.293 1.920 1.00 53.12 H new ATOM 0 HG23 THR A 93 -2.159 14.412 1.486 1.00 53.12 H new ATOM 1341 N PRO A 94 -1.018 10.031 -1.329 1.00 61.25 N ATOM 1342 CA PRO A 94 -0.996 9.157 -2.504 1.00 54.12 C ATOM 1343 C PRO A 94 -2.067 8.068 -2.474 1.00 25.11 C ATOM 1344 O PRO A 94 -2.718 7.796 -3.482 1.00 43.05 O ATOM 1345 CB PRO A 94 0.422 8.560 -2.543 1.00 65.53 C ATOM 1346 CG PRO A 94 0.870 8.594 -1.085 1.00 52.03 C ATOM 1347 CD PRO A 94 0.256 9.907 -0.638 1.00 4.44 C ATOM 0 HA PRO A 94 -1.228 9.726 -3.404 1.00 54.12 H new ATOM 0 HB2 PRO A 94 0.418 7.544 -2.937 1.00 65.53 H new ATOM 0 HB3 PRO A 94 1.085 9.146 -3.179 1.00 65.53 H new ATOM 0 HG2 PRO A 94 0.493 7.745 -0.515 1.00 52.03 H new ATOM 0 HG3 PRO A 94 1.955 8.588 -0.984 1.00 52.03 H new ATOM 0 HD2 PRO A 94 0.113 9.919 0.442 1.00 4.44 H new ATOM 0 HD3 PRO A 94 0.911 10.743 -0.882 1.00 4.44 H new ATOM 1352 N ILE A 95 -2.224 7.391 -1.336 1.00 2.24 N ATOM 1353 CA ILE A 95 -2.968 6.133 -1.305 1.00 53.34 C ATOM 1354 C ILE A 95 -4.472 6.411 -1.241 1.00 4.43 C ATOM 1355 O ILE A 95 -5.262 5.549 -1.619 1.00 70.13 O ATOM 1356 CB ILE A 95 -2.432 5.212 -0.180 1.00 4.41 C ATOM 1357 CG1 ILE A 95 -0.894 5.025 -0.249 1.00 61.21 C ATOM 1358 CG2 ILE A 95 -3.107 3.827 -0.191 1.00 54.23 C ATOM 1359 CD1 ILE A 95 -0.293 4.708 -1.638 1.00 25.20 C ATOM 0 H ILE A 95 -1.851 7.688 -0.434 1.00 2.24 H new ATOM 0 HA ILE A 95 -2.810 5.578 -2.230 1.00 53.34 H new ATOM 0 HB ILE A 95 -2.681 5.721 0.751 1.00 4.41 H new ATOM 0 HG12 ILE A 95 -0.424 5.934 0.125 1.00 61.21 H new ATOM 0 HG13 ILE A 95 -0.619 4.220 0.432 1.00 61.21 H new ATOM 0 HG21 ILE A 95 -2.699 3.217 0.615 1.00 54.23 H new ATOM 0 HG22 ILE A 95 -4.181 3.945 -0.049 1.00 54.23 H new ATOM 0 HG23 ILE A 95 -2.919 3.338 -1.147 1.00 54.23 H new ATOM 0 HD11 ILE A 95 0.788 4.601 -1.551 1.00 25.20 H new ATOM 0 HD12 ILE A 95 -0.720 3.779 -2.016 1.00 25.20 H new ATOM 0 HD13 ILE A 95 -0.523 5.520 -2.328 1.00 25.20 H new ATOM 1370 N LYS A 96 -4.873 7.630 -0.866 1.00 3.00 N ATOM 1371 CA LYS A 96 -6.251 8.094 -0.781 1.00 31.33 C ATOM 1372 C LYS A 96 -7.038 7.694 -2.032 1.00 51.21 C ATOM 1373 O LYS A 96 -8.040 6.985 -1.940 1.00 65.25 O ATOM 1374 CB LYS A 96 -6.198 9.607 -0.502 1.00 24.22 C ATOM 1375 CG LYS A 96 -7.563 10.281 -0.379 1.00 5.10 C ATOM 1376 CD LYS A 96 -8.493 9.637 0.664 1.00 25.12 C ATOM 1377 CE LYS A 96 -9.753 10.489 0.850 1.00 3.32 C ATOM 1378 NZ LYS A 96 -10.644 10.470 -0.336 1.00 53.04 N ATOM 0 H LYS A 96 -4.205 8.354 -0.601 1.00 3.00 H new ATOM 0 HA LYS A 96 -6.799 7.621 0.034 1.00 31.33 H new ATOM 0 HB2 LYS A 96 -5.641 9.773 0.420 1.00 24.22 H new ATOM 0 HB3 LYS A 96 -5.640 10.091 -1.303 1.00 24.22 H new ATOM 0 HG2 LYS A 96 -7.416 11.329 -0.120 1.00 5.10 H new ATOM 0 HG3 LYS A 96 -8.055 10.259 -1.351 1.00 5.10 H new ATOM 0 HD2 LYS A 96 -8.769 8.632 0.344 1.00 25.12 H new ATOM 0 HD3 LYS A 96 -7.970 9.536 1.615 1.00 25.12 H new ATOM 0 HE2 LYS A 96 -10.305 10.128 1.718 1.00 3.32 H new ATOM 0 HE3 LYS A 96 -9.462 11.518 1.063 1.00 3.32 H new ATOM 0 HZ1 LYS A 96 -11.479 11.063 -0.153 1.00 53.04 H new ATOM 0 HZ2 LYS A 96 -10.131 10.840 -1.162 1.00 53.04 H new ATOM 0 HZ3 LYS A 96 -10.948 9.494 -0.526 1.00 53.04 H new ATOM 1388 N THR A 97 -6.549 8.077 -3.203 1.00 42.24 N ATOM 1389 CA THR A 97 -7.263 7.884 -4.457 1.00 64.15 C ATOM 1390 C THR A 97 -7.230 6.414 -4.923 1.00 33.14 C ATOM 1391 O THR A 97 -8.076 5.988 -5.708 1.00 70.45 O ATOM 1392 CB THR A 97 -6.655 8.871 -5.472 1.00 22.44 C ATOM 1393 OG1 THR A 97 -6.397 10.102 -4.807 1.00 13.20 O ATOM 1394 CG2 THR A 97 -7.581 9.141 -6.660 1.00 54.24 C ATOM 0 H THR A 97 -5.642 8.532 -3.310 1.00 42.24 H new ATOM 0 HA THR A 97 -8.326 8.095 -4.340 1.00 64.15 H new ATOM 0 HB THR A 97 -5.741 8.423 -5.863 1.00 22.44 H new ATOM 0 HG1 THR A 97 -6.284 10.815 -5.470 1.00 13.20 H new ATOM 0 HG21 THR A 97 -7.102 9.843 -7.343 1.00 54.24 H new ATOM 0 HG22 THR A 97 -7.783 8.207 -7.183 1.00 54.24 H new ATOM 0 HG23 THR A 97 -8.518 9.566 -6.301 1.00 54.24 H new ATOM 1402 N LEU A 98 -6.285 5.599 -4.437 1.00 72.31 N ATOM 1403 CA LEU A 98 -6.238 4.162 -4.722 1.00 64.53 C ATOM 1404 C LEU A 98 -7.233 3.428 -3.837 1.00 53.14 C ATOM 1405 O LEU A 98 -7.976 2.582 -4.326 1.00 54.23 O ATOM 1406 CB LEU A 98 -4.801 3.638 -4.510 1.00 51.14 C ATOM 1407 CG LEU A 98 -4.652 2.101 -4.507 1.00 10.34 C ATOM 1408 CD1 LEU A 98 -5.093 1.450 -5.822 1.00 33.23 C ATOM 1409 CD2 LEU A 98 -3.194 1.719 -4.233 1.00 71.35 C ATOM 0 H LEU A 98 -5.529 5.921 -3.833 1.00 72.31 H new ATOM 0 HA LEU A 98 -6.516 3.982 -5.761 1.00 64.53 H new ATOM 0 HB2 LEU A 98 -4.164 4.047 -5.294 1.00 51.14 H new ATOM 0 HB3 LEU A 98 -4.427 4.024 -3.562 1.00 51.14 H new ATOM 0 HG LEU A 98 -5.308 1.730 -3.719 1.00 10.34 H new ATOM 0 HD11 LEU A 98 -4.963 0.370 -5.755 1.00 33.23 H new ATOM 0 HD12 LEU A 98 -6.143 1.679 -6.007 1.00 33.23 H new ATOM 0 HD13 LEU A 98 -4.487 1.838 -6.641 1.00 33.23 H new ATOM 0 HD21 LEU A 98 -3.096 0.633 -4.232 1.00 71.35 H new ATOM 0 HD22 LEU A 98 -2.555 2.140 -5.009 1.00 71.35 H new ATOM 0 HD23 LEU A 98 -2.891 2.111 -3.262 1.00 71.35 H new ATOM 1420 N LEU A 99 -7.262 3.733 -2.542 1.00 41.05 N ATOM 1421 CA LEU A 99 -8.133 3.069 -1.591 1.00 44.11 C ATOM 1422 C LEU A 99 -9.597 3.301 -1.944 1.00 64.15 C ATOM 1423 O LEU A 99 -10.384 2.360 -1.830 1.00 34.03 O ATOM 1424 CB LEU A 99 -7.720 3.457 -0.174 1.00 23.34 C ATOM 1425 CG LEU A 99 -8.495 4.614 0.457 1.00 5.21 C ATOM 1426 CD1 LEU A 99 -9.733 4.078 1.178 1.00 23.40 C ATOM 1427 CD2 LEU A 99 -7.554 5.284 1.438 1.00 71.32 C ATOM 0 H LEU A 99 -6.674 4.455 -2.125 1.00 41.05 H new ATOM 0 HA LEU A 99 -8.021 1.986 -1.643 1.00 44.11 H new ATOM 0 HB2 LEU A 99 -7.827 2.582 0.467 1.00 23.34 H new ATOM 0 HB3 LEU A 99 -6.662 3.717 -0.184 1.00 23.34 H new ATOM 0 HG LEU A 99 -8.835 5.324 -0.297 1.00 5.21 H new ATOM 0 HD11 LEU A 99 -10.281 4.907 1.626 1.00 23.40 H new ATOM 0 HD12 LEU A 99 -10.375 3.562 0.464 1.00 23.40 H new ATOM 0 HD13 LEU A 99 -9.426 3.382 1.959 1.00 23.40 H new ATOM 0 HD21 LEU A 99 -8.063 6.120 1.917 1.00 71.32 H new ATOM 0 HD22 LEU A 99 -7.246 4.564 2.196 1.00 71.32 H new ATOM 0 HD23 LEU A 99 -6.675 5.650 0.907 1.00 71.32 H new ATOM 1438 N ASP A 100 -9.941 4.491 -2.460 1.00 73.41 N ATOM 1439 CA ASP A 100 -11.280 4.750 -2.983 1.00 33.31 C ATOM 1440 C ASP A 100 -11.647 3.685 -4.007 1.00 33.14 C ATOM 1441 O ASP A 100 -12.770 3.206 -3.966 1.00 1.42 O ATOM 1442 CB ASP A 100 -11.412 6.134 -3.629 1.00 4.43 C ATOM 1443 CG ASP A 100 -12.760 6.243 -4.369 1.00 70.14 C ATOM 1444 OD1 ASP A 100 -12.817 5.901 -5.576 1.00 31.52 O ATOM 1445 OD2 ASP A 100 -13.783 6.603 -3.734 1.00 1.32 O ATOM 0 H ASP A 100 -9.306 5.286 -2.524 1.00 73.41 H new ATOM 0 HA ASP A 100 -11.961 4.720 -2.133 1.00 33.31 H new ATOM 0 HB2 ASP A 100 -11.343 6.909 -2.866 1.00 4.43 H new ATOM 0 HB3 ASP A 100 -10.590 6.299 -4.326 1.00 4.43 H new ATOM 1449 N GLN A 101 -10.725 3.284 -4.885 1.00 30.42 N ATOM 1450 CA GLN A 101 -10.955 2.261 -5.895 1.00 53.42 C ATOM 1451 C GLN A 101 -10.973 0.849 -5.295 1.00 32.41 C ATOM 1452 O GLN A 101 -11.815 0.036 -5.672 1.00 41.21 O ATOM 1453 CB GLN A 101 -9.921 2.388 -7.024 1.00 41.03 C ATOM 1454 CG GLN A 101 -10.044 3.737 -7.759 1.00 61.24 C ATOM 1455 CD GLN A 101 -9.286 3.760 -9.086 1.00 4.00 C ATOM 1456 OE1 GLN A 101 -9.263 2.782 -9.827 1.00 5.43 O ATOM 1457 NE2 GLN A 101 -8.583 4.845 -9.391 1.00 41.24 N ATOM 0 H GLN A 101 -9.782 3.671 -4.910 1.00 30.42 H new ATOM 0 HA GLN A 101 -11.946 2.424 -6.318 1.00 53.42 H new ATOM 0 HB2 GLN A 101 -8.917 2.288 -6.611 1.00 41.03 H new ATOM 0 HB3 GLN A 101 -10.056 1.573 -7.735 1.00 41.03 H new ATOM 0 HG2 GLN A 101 -11.097 3.950 -7.944 1.00 61.24 H new ATOM 0 HG3 GLN A 101 -9.666 4.532 -7.116 1.00 61.24 H new ATOM 0 HE21 GLN A 101 -8.604 5.657 -8.773 1.00 41.24 H new ATOM 0 HE22 GLN A 101 -8.022 4.867 -10.243 1.00 41.24 H new ATOM 1464 N MET A 102 -10.110 0.551 -4.321 1.00 44.14 N ATOM 1465 CA MET A 102 -9.978 -0.773 -3.706 1.00 4.14 C ATOM 1466 C MET A 102 -11.217 -1.200 -2.905 1.00 30.03 C ATOM 1467 O MET A 102 -11.292 -2.365 -2.523 1.00 5.21 O ATOM 1468 CB MET A 102 -8.759 -0.809 -2.767 1.00 12.22 C ATOM 1469 CG MET A 102 -7.409 -0.731 -3.487 1.00 63.34 C ATOM 1470 SD MET A 102 -5.977 -0.761 -2.367 1.00 3.34 S ATOM 1471 CE MET A 102 -6.035 -2.482 -1.798 1.00 22.54 C ATOM 0 H MET A 102 -9.468 1.240 -3.928 1.00 44.14 H new ATOM 0 HA MET A 102 -9.856 -1.472 -4.533 1.00 4.14 H new ATOM 0 HB2 MET A 102 -8.832 0.021 -2.064 1.00 12.22 H new ATOM 0 HB3 MET A 102 -8.793 -1.727 -2.181 1.00 12.22 H new ATOM 0 HG2 MET A 102 -7.331 -1.565 -4.184 1.00 63.34 H new ATOM 0 HG3 MET A 102 -7.376 0.183 -4.079 1.00 63.34 H new ATOM 0 HE1 MET A 102 -5.117 -2.719 -1.260 1.00 22.54 H new ATOM 0 HE2 MET A 102 -6.889 -2.617 -1.135 1.00 22.54 H new ATOM 0 HE3 MET A 102 -6.134 -3.146 -2.657 1.00 22.54 H new ATOM 1479 N LYS A 103 -12.190 -0.315 -2.661 1.00 45.53 N ATOM 1480 CA LYS A 103 -13.154 -0.359 -1.549 1.00 24.24 C ATOM 1481 C LYS A 103 -13.820 -1.689 -1.197 1.00 22.40 C ATOM 1482 O LYS A 103 -14.112 -1.938 -0.033 1.00 5.14 O ATOM 1483 CB LYS A 103 -14.181 0.780 -1.678 1.00 54.54 C ATOM 1484 CG LYS A 103 -15.428 0.491 -2.528 1.00 53.33 C ATOM 1485 CD LYS A 103 -15.108 0.035 -3.953 1.00 10.24 C ATOM 1486 CE LYS A 103 -14.605 1.224 -4.757 1.00 31.30 C ATOM 1487 NZ LYS A 103 -14.517 1.021 -6.216 1.00 10.11 N ATOM 0 H LYS A 103 -12.336 0.495 -3.264 1.00 45.53 H new ATOM 0 HA LYS A 103 -12.513 -0.216 -0.679 1.00 24.24 H new ATOM 0 HB2 LYS A 103 -14.509 1.058 -0.676 1.00 54.54 H new ATOM 0 HB3 LYS A 103 -13.675 1.648 -2.100 1.00 54.54 H new ATOM 0 HG2 LYS A 103 -16.023 -0.278 -2.035 1.00 53.33 H new ATOM 0 HG3 LYS A 103 -16.043 1.390 -2.573 1.00 53.33 H new ATOM 0 HD2 LYS A 103 -14.354 -0.752 -3.935 1.00 10.24 H new ATOM 0 HD3 LYS A 103 -15.998 -0.386 -4.421 1.00 10.24 H new ATOM 0 HE2 LYS A 103 -15.263 2.072 -4.566 1.00 31.30 H new ATOM 0 HE3 LYS A 103 -13.617 1.497 -4.387 1.00 31.30 H new ATOM 0 HZ1 LYS A 103 -14.636 1.933 -6.701 1.00 10.11 H new ATOM 0 HZ2 LYS A 103 -13.588 0.620 -6.455 1.00 10.11 H new ATOM 0 HZ3 LYS A 103 -15.266 0.367 -6.521 1.00 10.11 H new ATOM 1497 N ASN A 104 -14.085 -2.520 -2.193 1.00 42.11 N ATOM 1498 CA ASN A 104 -14.812 -3.785 -2.067 1.00 62.05 C ATOM 1499 C ASN A 104 -13.929 -4.932 -1.564 1.00 43.51 C ATOM 1500 O ASN A 104 -14.443 -6.009 -1.273 1.00 41.54 O ATOM 1501 CB ASN A 104 -15.454 -4.123 -3.427 1.00 41.12 C ATOM 1502 CG ASN A 104 -16.865 -3.609 -3.606 1.00 51.52 C ATOM 1503 OD1 ASN A 104 -17.246 -2.558 -2.910 1.00 42.43 O flip ATOM 1504 ND2 ASN A 104 -17.614 -4.084 -4.450 1.00 23.23 N flip ATOM 0 H ASN A 104 -13.790 -2.329 -3.151 1.00 42.11 H new ATOM 0 HA ASN A 104 -15.587 -3.662 -1.311 1.00 62.05 H new ATOM 0 HB2 ASN A 104 -14.829 -3.712 -4.220 1.00 41.12 H new ATOM 0 HB3 ASN A 104 -15.458 -5.206 -3.552 1.00 41.12 H new ATOM 0 HD21 ASN A 104 -17.322 -4.898 -4.991 1.00 23.23 H new ATOM 0 HD22 ASN A 104 -18.530 -3.666 -4.612 1.00 23.23 H new ATOM 1510 N TYR A 105 -12.618 -4.722 -1.448 1.00 54.24 N ATOM 1511 CA TYR A 105 -11.688 -5.722 -0.940 1.00 43.55 C ATOM 1512 C TYR A 105 -11.885 -5.943 0.558 1.00 71.35 C ATOM 1513 O TYR A 105 -12.344 -5.062 1.283 1.00 61.15 O ATOM 1514 CB TYR A 105 -10.248 -5.277 -1.247 1.00 42.33 C ATOM 1515 CG TYR A 105 -9.170 -6.148 -0.625 1.00 3.20 C ATOM 1516 CD1 TYR A 105 -9.189 -7.542 -0.832 1.00 4.24 C ATOM 1517 CD2 TYR A 105 -8.209 -5.582 0.239 1.00 14.41 C ATOM 1518 CE1 TYR A 105 -8.272 -8.369 -0.165 1.00 45.13 C ATOM 1519 CE2 TYR A 105 -7.260 -6.405 0.872 1.00 34.22 C ATOM 1520 CZ TYR A 105 -7.283 -7.803 0.667 1.00 25.14 C ATOM 1521 OH TYR A 105 -6.351 -8.583 1.276 1.00 13.41 O ATOM 0 H TYR A 105 -12.170 -3.843 -1.708 1.00 54.24 H new ATOM 0 HA TYR A 105 -11.881 -6.673 -1.436 1.00 43.55 H new ATOM 0 HB2 TYR A 105 -10.108 -5.265 -2.328 1.00 42.33 H new ATOM 0 HB3 TYR A 105 -10.116 -4.253 -0.897 1.00 42.33 H new ATOM 0 HD1 TYR A 105 -9.912 -7.976 -1.507 1.00 4.24 H new ATOM 0 HD2 TYR A 105 -8.202 -4.516 0.414 1.00 14.41 H new ATOM 0 HE1 TYR A 105 -8.323 -9.441 -0.289 1.00 45.13 H new ATOM 0 HE2 TYR A 105 -6.512 -5.967 1.516 1.00 34.22 H new ATOM 0 HH TYR A 105 -6.618 -9.524 1.210 1.00 13.41 H new ATOM 1530 N ARG A 106 -11.538 -7.143 1.024 1.00 14.13 N ATOM 1531 CA ARG A 106 -11.653 -7.604 2.393 1.00 65.24 C ATOM 1532 C ARG A 106 -10.444 -8.511 2.625 1.00 3.43 C ATOM 1533 O ARG A 106 -10.331 -9.536 1.950 1.00 24.41 O ATOM 1534 CB ARG A 106 -12.978 -8.375 2.549 1.00 31.44 C ATOM 1535 CG ARG A 106 -14.218 -7.624 2.027 1.00 72.43 C ATOM 1536 CD ARG A 106 -14.754 -6.539 2.972 1.00 51.31 C ATOM 1537 NE ARG A 106 -15.856 -7.030 3.817 1.00 23.02 N ATOM 1538 CZ ARG A 106 -16.355 -6.419 4.900 1.00 24.04 C ATOM 1539 NH1 ARG A 106 -15.815 -5.310 5.404 1.00 34.01 N ATOM 1540 NH2 ARG A 106 -17.420 -6.927 5.504 1.00 51.23 N ATOM 0 H ARG A 106 -11.146 -7.858 0.411 1.00 14.13 H new ATOM 0 HA ARG A 106 -11.664 -6.791 3.119 1.00 65.24 H new ATOM 0 HB2 ARG A 106 -12.895 -9.325 2.021 1.00 31.44 H new ATOM 0 HB3 ARG A 106 -13.127 -8.608 3.603 1.00 31.44 H new ATOM 0 HG2 ARG A 106 -13.972 -7.164 1.070 1.00 72.43 H new ATOM 0 HG3 ARG A 106 -15.012 -8.347 1.838 1.00 72.43 H new ATOM 0 HD2 ARG A 106 -13.944 -6.181 3.607 1.00 51.31 H new ATOM 0 HD3 ARG A 106 -15.100 -5.688 2.386 1.00 51.31 H new ATOM 0 HE ARG A 106 -16.279 -7.920 3.553 1.00 23.02 H new ATOM 0 HH11 ARG A 106 -14.993 -4.897 4.963 1.00 34.01 H new ATOM 0 HH12 ARG A 106 -16.224 -4.874 6.230 1.00 34.01 H new ATOM 0 HH21 ARG A 106 -17.854 -7.777 5.144 1.00 51.23 H new ATOM 0 HH22 ARG A 106 -17.806 -6.468 6.329 1.00 51.23 H new ATOM 1551 N GLY A 107 -9.523 -8.148 3.513 1.00 30.42 N ATOM 1552 CA GLY A 107 -8.443 -9.048 3.905 1.00 65.42 C ATOM 1553 C GLY A 107 -7.414 -8.337 4.762 1.00 14.32 C ATOM 1554 O GLY A 107 -7.714 -7.970 5.903 1.00 45.41 O ATOM 0 H GLY A 107 -9.503 -7.238 3.974 1.00 30.42 H new ATOM 0 HA2 GLY A 107 -8.854 -9.895 4.455 1.00 65.42 H new ATOM 0 HA3 GLY A 107 -7.961 -9.450 3.014 1.00 65.42 H new ATOM 1558 N GLU A 108 -6.221 -8.115 4.227 1.00 65.41 N ATOM 1559 CA GLU A 108 -5.103 -7.465 4.875 1.00 45.23 C ATOM 1560 C GLU A 108 -4.472 -6.443 3.936 1.00 12.41 C ATOM 1561 O GLU A 108 -4.314 -6.689 2.742 1.00 72.14 O ATOM 1562 CB GLU A 108 -4.061 -8.527 5.210 1.00 52.22 C ATOM 1563 CG GLU A 108 -4.451 -9.421 6.383 1.00 70.11 C ATOM 1564 CD GLU A 108 -5.030 -10.786 6.012 1.00 11.22 C ATOM 1565 OE1 GLU A 108 -4.306 -11.631 5.444 1.00 2.12 O ATOM 1566 OE2 GLU A 108 -6.171 -11.071 6.455 1.00 14.13 O ATOM 0 H GLU A 108 -6.001 -8.403 3.274 1.00 65.41 H new ATOM 0 HA GLU A 108 -5.449 -6.958 5.776 1.00 45.23 H new ATOM 0 HB2 GLU A 108 -3.894 -9.149 4.331 1.00 52.22 H new ATOM 0 HB3 GLU A 108 -3.115 -8.036 5.438 1.00 52.22 H new ATOM 0 HG2 GLU A 108 -3.570 -9.578 7.005 1.00 70.11 H new ATOM 0 HG3 GLU A 108 -5.182 -8.890 6.993 1.00 70.11 H new ATOM 1571 N VAL A 109 -4.051 -5.319 4.504 1.00 10.33 N ATOM 1572 CA VAL A 109 -3.305 -4.262 3.856 1.00 71.32 C ATOM 1573 C VAL A 109 -2.162 -3.906 4.801 1.00 72.35 C ATOM 1574 O VAL A 109 -2.417 -3.658 5.980 1.00 3.31 O ATOM 1575 CB VAL A 109 -4.235 -3.064 3.573 1.00 74.15 C ATOM 1576 CG1 VAL A 109 -3.444 -1.879 3.005 1.00 54.13 C ATOM 1577 CG2 VAL A 109 -5.340 -3.438 2.572 1.00 23.31 C ATOM 0 H VAL A 109 -4.235 -5.115 5.486 1.00 10.33 H new ATOM 0 HA VAL A 109 -2.902 -4.567 2.890 1.00 71.32 H new ATOM 0 HB VAL A 109 -4.688 -2.784 4.524 1.00 74.15 H new ATOM 0 HG11 VAL A 109 -4.122 -1.047 2.814 1.00 54.13 H new ATOM 0 HG12 VAL A 109 -2.685 -1.571 3.724 1.00 54.13 H new ATOM 0 HG13 VAL A 109 -2.963 -2.176 2.073 1.00 54.13 H new ATOM 0 HG21 VAL A 109 -5.978 -2.572 2.394 1.00 23.31 H new ATOM 0 HG22 VAL A 109 -4.888 -3.755 1.632 1.00 23.31 H new ATOM 0 HG23 VAL A 109 -5.939 -4.253 2.979 1.00 23.31 H new ATOM 1587 N ALA A 110 -0.917 -3.828 4.324 1.00 64.11 N ATOM 1588 CA ALA A 110 0.140 -3.167 5.085 1.00 71.42 C ATOM 1589 C ALA A 110 0.765 -2.042 4.276 1.00 43.24 C ATOM 1590 O ALA A 110 0.885 -2.163 3.053 1.00 52.11 O ATOM 1591 CB ALA A 110 1.198 -4.170 5.517 1.00 45.32 C ATOM 0 H ALA A 110 -0.621 -4.210 3.426 1.00 64.11 H new ATOM 0 HA ALA A 110 -0.306 -2.734 5.980 1.00 71.42 H new ATOM 0 HB1 ALA A 110 1.976 -3.657 6.082 1.00 45.32 H new ATOM 0 HB2 ALA A 110 0.740 -4.936 6.143 1.00 45.32 H new ATOM 0 HB3 ALA A 110 1.638 -4.637 4.636 1.00 45.32 H new ATOM 1597 N SER A 111 1.184 -0.961 4.945 1.00 45.53 N ATOM 1598 CA SER A 111 1.679 0.219 4.251 1.00 31.24 C ATOM 1599 C SER A 111 3.113 0.514 4.694 1.00 61.32 C ATOM 1600 O SER A 111 3.330 1.075 5.769 1.00 54.23 O ATOM 1601 CB SER A 111 0.683 1.365 4.455 1.00 45.14 C ATOM 1602 OG SER A 111 0.418 2.051 3.244 1.00 12.22 O ATOM 0 H SER A 111 1.188 -0.885 5.962 1.00 45.53 H new ATOM 0 HA SER A 111 1.742 0.063 3.174 1.00 31.24 H new ATOM 0 HB2 SER A 111 -0.248 0.970 4.861 1.00 45.14 H new ATOM 0 HB3 SER A 111 1.079 2.065 5.191 1.00 45.14 H new ATOM 0 HG SER A 111 -0.429 2.538 3.323 1.00 12.22 H new ATOM 1607 N PHE A 112 4.111 0.118 3.900 1.00 71.23 N ATOM 1608 CA PHE A 112 5.494 0.513 4.159 1.00 32.50 C ATOM 1609 C PHE A 112 5.714 1.951 3.687 1.00 24.13 C ATOM 1610 O PHE A 112 5.081 2.419 2.737 1.00 12.30 O ATOM 1611 CB PHE A 112 6.498 -0.453 3.505 1.00 21.23 C ATOM 1612 CG PHE A 112 6.444 -0.625 1.996 1.00 5.34 C ATOM 1613 CD1 PHE A 112 5.632 -1.626 1.430 1.00 54.42 C ATOM 1614 CD2 PHE A 112 7.299 0.126 1.165 1.00 74.43 C ATOM 1615 CE1 PHE A 112 5.689 -1.893 0.051 1.00 45.04 C ATOM 1616 CE2 PHE A 112 7.367 -0.146 -0.213 1.00 3.44 C ATOM 1617 CZ PHE A 112 6.568 -1.161 -0.767 1.00 54.43 C ATOM 0 H PHE A 112 3.987 -0.472 3.078 1.00 71.23 H new ATOM 0 HA PHE A 112 5.671 0.463 5.233 1.00 32.50 H new ATOM 0 HB2 PHE A 112 7.502 -0.119 3.767 1.00 21.23 H new ATOM 0 HB3 PHE A 112 6.360 -1.435 3.958 1.00 21.23 H new ATOM 0 HD1 PHE A 112 4.961 -2.192 2.059 1.00 54.42 H new ATOM 0 HD2 PHE A 112 7.905 0.914 1.588 1.00 74.43 H new ATOM 0 HE1 PHE A 112 5.060 -2.658 -0.379 1.00 45.04 H new ATOM 0 HE2 PHE A 112 8.032 0.424 -0.845 1.00 3.44 H new ATOM 0 HZ PHE A 112 6.629 -1.379 -1.823 1.00 54.43 H new ATOM 1626 N PHE A 113 6.627 2.667 4.334 1.00 21.43 N ATOM 1627 CA PHE A 113 7.050 4.004 3.937 1.00 14.01 C ATOM 1628 C PHE A 113 8.576 4.083 4.012 1.00 42.32 C ATOM 1629 O PHE A 113 9.234 3.171 4.518 1.00 42.13 O ATOM 1630 CB PHE A 113 6.391 5.075 4.820 1.00 33.10 C ATOM 1631 CG PHE A 113 4.902 5.319 4.607 1.00 2.04 C ATOM 1632 CD1 PHE A 113 3.928 4.410 5.061 1.00 13.22 C ATOM 1633 CD2 PHE A 113 4.481 6.513 3.998 1.00 64.24 C ATOM 1634 CE1 PHE A 113 2.560 4.700 4.902 1.00 14.21 C ATOM 1635 CE2 PHE A 113 3.116 6.816 3.858 1.00 42.02 C ATOM 1636 CZ PHE A 113 2.152 5.897 4.296 1.00 50.43 C ATOM 0 H PHE A 113 7.104 2.326 5.168 1.00 21.43 H new ATOM 0 HA PHE A 113 6.732 4.197 2.912 1.00 14.01 H new ATOM 0 HB2 PHE A 113 6.544 4.797 5.863 1.00 33.10 H new ATOM 0 HB3 PHE A 113 6.916 6.017 4.661 1.00 33.10 H new ATOM 0 HD1 PHE A 113 4.231 3.487 5.533 1.00 13.22 H new ATOM 0 HD2 PHE A 113 5.220 7.210 3.631 1.00 64.24 H new ATOM 0 HE1 PHE A 113 1.819 3.995 5.249 1.00 14.21 H new ATOM 0 HE2 PHE A 113 2.811 7.753 3.415 1.00 42.02 H new ATOM 0 HZ PHE A 113 1.101 6.110 4.167 1.00 50.43 H new ATOM 1645 N THR A 114 9.148 5.186 3.537 1.00 44.13 N ATOM 1646 CA THR A 114 10.574 5.472 3.604 1.00 41.44 C ATOM 1647 C THR A 114 10.715 6.978 3.848 1.00 51.15 C ATOM 1648 O THR A 114 10.014 7.766 3.206 1.00 10.10 O ATOM 1649 CB THR A 114 11.261 5.005 2.299 1.00 61.21 C ATOM 1650 OG1 THR A 114 10.508 5.294 1.129 1.00 52.42 O ATOM 1651 CG2 THR A 114 11.496 3.490 2.281 1.00 65.32 C ATOM 0 H THR A 114 8.614 5.926 3.082 1.00 44.13 H new ATOM 0 HA THR A 114 11.066 4.934 4.414 1.00 41.44 H new ATOM 0 HB THR A 114 12.200 5.558 2.289 1.00 61.21 H new ATOM 0 HG1 THR A 114 10.995 4.977 0.340 1.00 52.42 H new ATOM 0 HG21 THR A 114 11.980 3.208 1.346 1.00 65.32 H new ATOM 0 HG22 THR A 114 12.135 3.211 3.119 1.00 65.32 H new ATOM 0 HG23 THR A 114 10.540 2.973 2.365 1.00 65.32 H new ATOM 1659 N SER A 115 11.581 7.381 4.780 1.00 11.24 N ATOM 1660 CA SER A 115 11.918 8.772 5.045 1.00 12.40 C ATOM 1661 C SER A 115 13.290 8.846 5.714 1.00 25.51 C ATOM 1662 O SER A 115 13.844 7.842 6.159 1.00 45.13 O ATOM 1663 CB SER A 115 10.863 9.369 5.975 1.00 10.00 C ATOM 1664 OG SER A 115 10.763 10.785 5.920 1.00 51.44 O ATOM 0 H SER A 115 12.078 6.727 5.385 1.00 11.24 H new ATOM 0 HA SER A 115 11.944 9.331 4.110 1.00 12.40 H new ATOM 0 HB2 SER A 115 9.893 8.939 5.727 1.00 10.00 H new ATOM 0 HB3 SER A 115 11.090 9.073 6.999 1.00 10.00 H new ATOM 0 HG SER A 115 10.067 11.088 6.540 1.00 51.44 H new ATOM 1669 N ALA A 116 13.750 10.076 5.924 1.00 64.53 N ATOM 1670 CA ALA A 116 14.966 10.509 6.581 1.00 5.40 C ATOM 1671 C ALA A 116 14.850 10.413 8.104 1.00 23.20 C ATOM 1672 O ALA A 116 15.507 11.164 8.833 1.00 61.23 O ATOM 1673 CB ALA A 116 15.161 11.967 6.173 1.00 65.55 C ATOM 0 H ALA A 116 13.213 10.880 5.598 1.00 64.53 H new ATOM 0 HA ALA A 116 15.805 9.877 6.289 1.00 5.40 H new ATOM 0 HB1 ALA A 116 16.067 12.357 6.638 1.00 65.55 H new ATOM 0 HB2 ALA A 116 15.252 12.032 5.089 1.00 65.55 H new ATOM 0 HB3 ALA A 116 14.303 12.554 6.501 1.00 65.55 H new ATOM 1679 N GLY A 117 13.962 9.555 8.606 1.00 61.54 N ATOM 1680 CA GLY A 117 13.861 9.343 10.028 1.00 2.31 C ATOM 1681 C GLY A 117 13.256 10.535 10.763 1.00 22.01 C ATOM 1682 O GLY A 117 13.644 10.842 11.896 1.00 54.25 O ATOM 0 H GLY A 117 13.312 9.005 8.044 1.00 61.54 H new ATOM 0 HA2 GLY A 117 13.252 8.459 10.216 1.00 2.31 H new ATOM 0 HA3 GLY A 117 14.853 9.139 10.431 1.00 2.31 H new ATOM 1686 N THR A 118 12.278 11.207 10.160 1.00 72.25 N ATOM 1687 CA THR A 118 11.561 12.314 10.772 1.00 31.00 C ATOM 1688 C THR A 118 10.072 11.995 10.822 1.00 1.41 C ATOM 1689 O THR A 118 9.555 11.342 9.918 1.00 11.21 O ATOM 1690 CB THR A 118 11.866 13.595 9.992 1.00 33.44 C ATOM 1691 OG1 THR A 118 11.697 13.409 8.596 1.00 25.34 O ATOM 1692 CG2 THR A 118 13.303 14.050 10.250 1.00 43.13 C ATOM 0 H THR A 118 11.959 10.991 9.216 1.00 72.25 H new ATOM 0 HA THR A 118 11.887 12.467 11.801 1.00 31.00 H new ATOM 0 HB THR A 118 11.163 14.353 10.338 1.00 33.44 H new ATOM 0 HG1 THR A 118 11.898 14.246 8.128 1.00 25.34 H new ATOM 0 HG21 THR A 118 13.502 14.962 9.687 1.00 43.13 H new ATOM 0 HG22 THR A 118 13.438 14.243 11.314 1.00 43.13 H new ATOM 0 HG23 THR A 118 13.994 13.269 9.932 1.00 43.13 H new ATOM 1700 N ASN A 119 9.367 12.450 11.864 1.00 13.14 N ATOM 1701 CA ASN A 119 7.910 12.390 11.989 1.00 53.15 C ATOM 1702 C ASN A 119 7.338 10.980 11.792 1.00 52.13 C ATOM 1703 O ASN A 119 6.189 10.829 11.370 1.00 25.43 O ATOM 1704 CB ASN A 119 7.279 13.441 11.060 1.00 54.14 C ATOM 1705 CG ASN A 119 7.562 14.860 11.530 1.00 51.23 C ATOM 1706 OD1 ASN A 119 7.405 15.182 12.708 1.00 1.30 O ATOM 1707 ND2 ASN A 119 7.987 15.735 10.636 1.00 25.14 N ATOM 0 H ASN A 119 9.813 12.885 12.671 1.00 13.14 H new ATOM 0 HA ASN A 119 7.643 12.635 13.017 1.00 53.15 H new ATOM 0 HB2 ASN A 119 7.665 13.310 10.049 1.00 54.14 H new ATOM 0 HB3 ASN A 119 6.202 13.283 11.013 1.00 54.14 H new ATOM 0 HD21 ASN A 119 8.190 16.694 10.918 1.00 25.14 H new ATOM 0 HD22 ASN A 119 8.112 15.452 9.664 1.00 25.14 H new ATOM 1713 N HIS A 120 8.122 9.937 12.100 1.00 15.32 N ATOM 1714 CA HIS A 120 7.735 8.550 11.881 1.00 44.11 C ATOM 1715 C HIS A 120 6.395 8.248 12.537 1.00 33.04 C ATOM 1716 O HIS A 120 5.523 7.632 11.934 1.00 21.22 O ATOM 1717 CB HIS A 120 8.829 7.580 12.368 1.00 20.32 C ATOM 1718 CG HIS A 120 8.900 7.389 13.871 1.00 41.45 C ATOM 1719 ND1 HIS A 120 8.555 6.256 14.583 1.00 74.05 N ATOM 1720 CD2 HIS A 120 9.230 8.352 14.784 1.00 52.44 C ATOM 1721 CE1 HIS A 120 8.674 6.540 15.891 1.00 23.30 C ATOM 1722 NE2 HIS A 120 9.079 7.809 16.062 1.00 13.11 N ATOM 0 H HIS A 120 9.049 10.041 12.511 1.00 15.32 H new ATOM 0 HA HIS A 120 7.621 8.401 10.807 1.00 44.11 H new ATOM 0 HB2 HIS A 120 8.665 6.609 11.902 1.00 20.32 H new ATOM 0 HB3 HIS A 120 9.796 7.942 12.018 1.00 20.32 H new ATOM 0 HD2 HIS A 120 9.552 9.358 14.556 1.00 52.44 H new ATOM 0 HE1 HIS A 120 8.472 5.845 16.693 1.00 23.30 H new ATOM 0 HE2 HIS A 120 9.244 8.283 16.950 1.00 13.11 H new ATOM 1729 N LYS A 121 6.194 8.718 13.768 1.00 15.33 N ATOM 1730 CA LYS A 121 4.996 8.414 14.511 1.00 15.52 C ATOM 1731 C LYS A 121 3.772 9.023 13.825 1.00 24.24 C ATOM 1732 O LYS A 121 2.734 8.364 13.757 1.00 42.35 O ATOM 1733 CB LYS A 121 5.196 8.908 15.948 1.00 12.40 C ATOM 1734 CG LYS A 121 4.472 7.989 16.918 1.00 55.12 C ATOM 1735 CD LYS A 121 4.739 8.371 18.377 1.00 1.10 C ATOM 1736 CE LYS A 121 3.858 7.567 19.341 1.00 42.42 C ATOM 1737 NZ LYS A 121 2.472 8.072 19.360 1.00 23.32 N ATOM 0 H LYS A 121 6.857 9.314 14.264 1.00 15.33 H new ATOM 0 HA LYS A 121 4.810 7.340 14.541 1.00 15.52 H new ATOM 0 HB2 LYS A 121 6.259 8.938 16.187 1.00 12.40 H new ATOM 0 HB3 LYS A 121 4.819 9.926 16.048 1.00 12.40 H new ATOM 0 HG2 LYS A 121 3.400 8.028 16.723 1.00 55.12 H new ATOM 0 HG3 LYS A 121 4.790 6.960 16.749 1.00 55.12 H new ATOM 0 HD2 LYS A 121 5.789 8.198 18.613 1.00 1.10 H new ATOM 0 HD3 LYS A 121 4.552 9.436 18.515 1.00 1.10 H new ATOM 0 HE2 LYS A 121 3.859 6.518 19.047 1.00 42.42 H new ATOM 0 HE3 LYS A 121 4.278 7.617 20.346 1.00 42.42 H new ATOM 0 HZ1 LYS A 121 1.913 7.527 20.047 1.00 23.32 H new ATOM 0 HZ2 LYS A 121 2.472 9.076 19.632 1.00 23.32 H new ATOM 0 HZ3 LYS A 121 2.052 7.970 18.414 1.00 23.32 H new ATOM 1747 N ALA A 122 3.930 10.234 13.286 1.00 43.45 N ATOM 1748 CA ALA A 122 2.874 11.018 12.672 1.00 41.31 C ATOM 1749 C ALA A 122 2.415 10.359 11.373 1.00 12.24 C ATOM 1750 O ALA A 122 1.220 10.132 11.216 1.00 54.31 O ATOM 1751 CB ALA A 122 3.356 12.456 12.438 1.00 5.14 C ATOM 0 H ALA A 122 4.834 10.707 13.268 1.00 43.45 H new ATOM 0 HA ALA A 122 2.016 11.058 13.343 1.00 41.31 H new ATOM 0 HB1 ALA A 122 2.557 13.037 11.977 1.00 5.14 H new ATOM 0 HB2 ALA A 122 3.629 12.908 13.392 1.00 5.14 H new ATOM 0 HB3 ALA A 122 4.224 12.446 11.779 1.00 5.14 H new ATOM 1757 N TYR A 123 3.337 10.014 10.461 1.00 11.51 N ATOM 1758 CA TYR A 123 2.998 9.463 9.137 1.00 64.41 C ATOM 1759 C TYR A 123 2.100 8.240 9.257 1.00 3.33 C ATOM 1760 O TYR A 123 1.174 8.075 8.474 1.00 62.35 O ATOM 1761 CB TYR A 123 4.271 9.168 8.320 1.00 74.23 C ATOM 1762 CG TYR A 123 4.895 7.785 8.348 1.00 53.24 C ATOM 1763 CD1 TYR A 123 4.231 6.638 7.870 1.00 31.04 C ATOM 1764 CD2 TYR A 123 6.213 7.674 8.809 1.00 31.22 C ATOM 1765 CE1 TYR A 123 4.822 5.375 8.036 1.00 21.32 C ATOM 1766 CE2 TYR A 123 6.815 6.422 8.982 1.00 74.42 C ATOM 1767 CZ TYR A 123 6.094 5.265 8.635 1.00 72.03 C ATOM 1768 OH TYR A 123 6.630 4.048 8.877 1.00 70.02 O ATOM 0 H TYR A 123 4.340 10.109 10.620 1.00 11.51 H new ATOM 0 HA TYR A 123 2.431 10.218 8.593 1.00 64.41 H new ATOM 0 HB2 TYR A 123 4.047 9.400 7.279 1.00 74.23 H new ATOM 0 HB3 TYR A 123 5.035 9.873 8.647 1.00 74.23 H new ATOM 0 HD1 TYR A 123 3.273 6.730 7.379 1.00 31.04 H new ATOM 0 HD2 TYR A 123 6.774 8.569 9.035 1.00 31.22 H new ATOM 0 HE1 TYR A 123 4.302 4.488 7.705 1.00 21.32 H new ATOM 0 HE2 TYR A 123 7.818 6.346 9.376 1.00 74.42 H new ATOM 0 HH TYR A 123 6.242 3.677 9.697 1.00 70.02 H new ATOM 1777 N VAL A 124 2.361 7.395 10.248 1.00 3.10 N ATOM 1778 CA VAL A 124 1.651 6.151 10.481 1.00 10.22 C ATOM 1779 C VAL A 124 0.180 6.476 10.806 1.00 71.12 C ATOM 1780 O VAL A 124 -0.728 5.820 10.294 1.00 4.40 O ATOM 1781 CB VAL A 124 2.387 5.449 11.641 1.00 4.10 C ATOM 1782 CG1 VAL A 124 1.697 4.188 12.168 1.00 50.44 C ATOM 1783 CG2 VAL A 124 3.838 5.104 11.249 1.00 64.12 C ATOM 0 H VAL A 124 3.098 7.566 10.932 1.00 3.10 H new ATOM 0 HA VAL A 124 1.638 5.489 9.615 1.00 10.22 H new ATOM 0 HB VAL A 124 2.371 6.176 12.453 1.00 4.10 H new ATOM 0 HG11 VAL A 124 2.286 3.764 12.981 1.00 50.44 H new ATOM 0 HG12 VAL A 124 0.703 4.444 12.535 1.00 50.44 H new ATOM 0 HG13 VAL A 124 1.610 3.458 11.363 1.00 50.44 H new ATOM 0 HG21 VAL A 124 4.333 4.610 12.085 1.00 64.12 H new ATOM 0 HG22 VAL A 124 3.833 4.439 10.386 1.00 64.12 H new ATOM 0 HG23 VAL A 124 4.375 6.019 10.999 1.00 64.12 H new ATOM 1793 N SER A 125 -0.078 7.491 11.639 1.00 5.52 N ATOM 1794 CA SER A 125 -1.437 7.966 11.893 1.00 21.44 C ATOM 1795 C SER A 125 -2.024 8.625 10.643 1.00 71.11 C ATOM 1796 O SER A 125 -3.150 8.322 10.263 1.00 63.42 O ATOM 1797 CB SER A 125 -1.430 8.948 13.068 1.00 45.34 C ATOM 1798 OG SER A 125 -1.500 8.238 14.288 1.00 12.22 O ATOM 0 H SER A 125 0.644 8.000 12.150 1.00 5.52 H new ATOM 0 HA SER A 125 -2.066 7.113 12.148 1.00 21.44 H new ATOM 0 HB2 SER A 125 -0.525 9.554 13.041 1.00 45.34 H new ATOM 0 HB3 SER A 125 -2.274 9.632 12.986 1.00 45.34 H new ATOM 0 HG SER A 125 -1.493 8.871 15.036 1.00 12.22 H new ATOM 1803 N HIS A 126 -1.266 9.502 9.985 1.00 12.34 N ATOM 1804 CA HIS A 126 -1.703 10.253 8.813 1.00 21.02 C ATOM 1805 C HIS A 126 -1.980 9.374 7.588 1.00 34.31 C ATOM 1806 O HIS A 126 -2.678 9.794 6.663 1.00 13.14 O ATOM 1807 CB HIS A 126 -0.625 11.288 8.498 1.00 33.01 C ATOM 1808 CG HIS A 126 -0.432 12.334 9.573 1.00 53.15 C ATOM 1809 ND1 HIS A 126 0.706 13.079 9.795 1.00 65.05 N ATOM 1810 CD2 HIS A 126 -1.405 12.819 10.406 1.00 32.41 C ATOM 1811 CE1 HIS A 126 0.415 14.015 10.708 1.00 13.30 C ATOM 1812 NE2 HIS A 126 -0.857 13.889 11.118 1.00 34.40 N ATOM 0 H HIS A 126 -0.307 9.714 10.261 1.00 12.34 H new ATOM 0 HA HIS A 126 -2.656 10.727 9.047 1.00 21.02 H new ATOM 0 HB2 HIS A 126 0.321 10.772 8.336 1.00 33.01 H new ATOM 0 HB3 HIS A 126 -0.880 11.787 7.563 1.00 33.01 H new ATOM 0 HD1 HIS A 126 1.610 12.942 9.344 1.00 65.05 H new ATOM 0 HD2 HIS A 126 -2.413 12.443 10.496 1.00 32.41 H new ATOM 0 HE1 HIS A 126 1.106 14.765 11.064 1.00 13.30 H new ATOM 1819 N PHE A 127 -1.437 8.160 7.574 1.00 41.35 N ATOM 1820 CA PHE A 127 -1.876 7.081 6.720 1.00 74.44 C ATOM 1821 C PHE A 127 -3.252 6.612 7.193 1.00 73.05 C ATOM 1822 O PHE A 127 -4.216 6.821 6.469 1.00 41.14 O ATOM 1823 CB PHE A 127 -0.835 5.956 6.734 1.00 13.44 C ATOM 1824 CG PHE A 127 -1.330 4.699 6.056 1.00 30.12 C ATOM 1825 CD1 PHE A 127 -1.576 4.703 4.671 1.00 14.33 C ATOM 1826 CD2 PHE A 127 -1.626 3.558 6.827 1.00 63.24 C ATOM 1827 CE1 PHE A 127 -2.122 3.562 4.056 1.00 62.04 C ATOM 1828 CE2 PHE A 127 -2.159 2.419 6.209 1.00 51.42 C ATOM 1829 CZ PHE A 127 -2.416 2.423 4.828 1.00 72.01 C ATOM 0 H PHE A 127 -0.657 7.901 8.178 1.00 41.35 H new ATOM 0 HA PHE A 127 -1.970 7.415 5.687 1.00 74.44 H new ATOM 0 HB2 PHE A 127 0.072 6.299 6.237 1.00 13.44 H new ATOM 0 HB3 PHE A 127 -0.567 5.727 7.765 1.00 13.44 H new ATOM 0 HD1 PHE A 127 -1.347 5.579 4.082 1.00 14.33 H new ATOM 0 HD2 PHE A 127 -1.443 3.561 7.891 1.00 63.24 H new ATOM 0 HE1 PHE A 127 -2.315 3.560 2.993 1.00 62.04 H new ATOM 0 HE2 PHE A 127 -2.372 1.537 6.795 1.00 51.42 H new ATOM 0 HZ PHE A 127 -2.841 1.549 4.357 1.00 72.01 H new ATOM 1838 N ASN A 128 -3.347 6.018 8.392 1.00 74.03 N ATOM 1839 CA ASN A 128 -4.558 5.364 8.908 1.00 34.33 C ATOM 1840 C ASN A 128 -5.796 6.253 8.794 1.00 72.22 C ATOM 1841 O ASN A 128 -6.862 5.773 8.427 1.00 1.21 O ATOM 1842 CB ASN A 128 -4.392 4.957 10.385 1.00 25.13 C ATOM 1843 CG ASN A 128 -3.724 3.604 10.583 1.00 42.45 C ATOM 1844 OD1 ASN A 128 -4.374 2.566 10.618 1.00 53.35 O ATOM 1845 ND2 ASN A 128 -2.414 3.577 10.756 1.00 24.21 N ATOM 0 H ASN A 128 -2.565 5.978 9.045 1.00 74.03 H new ATOM 0 HA ASN A 128 -4.699 4.478 8.289 1.00 34.33 H new ATOM 0 HB2 ASN A 128 -3.805 5.719 10.897 1.00 25.13 H new ATOM 0 HB3 ASN A 128 -5.374 4.939 10.859 1.00 25.13 H new ATOM 0 HD21 ASN A 128 -1.939 2.689 10.920 1.00 24.21 H new ATOM 0 HD22 ASN A 128 -1.878 4.444 10.726 1.00 24.21 H new ATOM 1851 N GLU A 129 -5.683 7.538 9.120 1.00 61.03 N ATOM 1852 CA GLU A 129 -6.801 8.484 9.115 1.00 5.24 C ATOM 1853 C GLU A 129 -7.320 8.820 7.720 1.00 51.45 C ATOM 1854 O GLU A 129 -8.402 9.382 7.580 1.00 45.44 O ATOM 1855 CB GLU A 129 -6.329 9.783 9.795 1.00 43.25 C ATOM 1856 CG GLU A 129 -6.805 9.888 11.238 1.00 44.24 C ATOM 1857 CD GLU A 129 -8.248 10.380 11.291 1.00 42.53 C ATOM 1858 OE1 GLU A 129 -9.174 9.604 10.969 1.00 72.12 O ATOM 1859 OE2 GLU A 129 -8.434 11.564 11.660 1.00 31.10 O ATOM 0 H GLU A 129 -4.798 7.961 9.400 1.00 61.03 H new ATOM 0 HA GLU A 129 -7.627 8.011 9.646 1.00 5.24 H new ATOM 0 HB2 GLU A 129 -5.240 9.828 9.770 1.00 43.25 H new ATOM 0 HB3 GLU A 129 -6.697 10.640 9.231 1.00 43.25 H new ATOM 0 HG2 GLU A 129 -6.728 8.915 11.724 1.00 44.24 H new ATOM 0 HG3 GLU A 129 -6.161 10.572 11.791 1.00 44.24 H new ATOM 1864 N TRP A 130 -6.560 8.483 6.686 1.00 4.33 N ATOM 1865 CA TRP A 130 -6.883 8.694 5.284 1.00 2.53 C ATOM 1866 C TRP A 130 -6.757 7.353 4.561 1.00 62.04 C ATOM 1867 O TRP A 130 -6.455 7.333 3.365 1.00 61.13 O ATOM 1868 CB TRP A 130 -5.954 9.766 4.719 1.00 63.22 C ATOM 1869 CG TRP A 130 -6.056 11.110 5.378 1.00 4.34 C ATOM 1870 CD1 TRP A 130 -5.538 11.436 6.582 1.00 74.11 C ATOM 1871 CD2 TRP A 130 -6.729 12.315 4.903 1.00 45.52 C ATOM 1872 NE1 TRP A 130 -5.836 12.746 6.882 1.00 11.24 N ATOM 1873 CE2 TRP A 130 -6.521 13.357 5.856 1.00 45.14 C ATOM 1874 CE3 TRP A 130 -7.469 12.640 3.749 1.00 5.20 C ATOM 1875 CZ2 TRP A 130 -6.960 14.671 5.640 1.00 45.14 C ATOM 1876 CZ3 TRP A 130 -7.980 13.936 3.556 1.00 24.22 C ATOM 1877 CH2 TRP A 130 -7.721 14.954 4.492 1.00 45.54 C ATOM 0 H TRP A 130 -5.654 8.031 6.811 1.00 4.33 H new ATOM 0 HA TRP A 130 -7.904 9.052 5.149 1.00 2.53 H new ATOM 0 HB2 TRP A 130 -4.926 9.415 4.804 1.00 63.22 H new ATOM 0 HB3 TRP A 130 -6.164 9.883 3.656 1.00 63.22 H new ATOM 0 HD1 TRP A 130 -4.974 10.768 7.216 1.00 74.11 H new ATOM 0 HE1 TRP A 130 -5.581 13.207 7.756 1.00 11.24 H new ATOM 0 HE3 TRP A 130 -7.647 11.882 3.001 1.00 5.20 H new ATOM 0 HZ2 TRP A 130 -6.718 15.453 6.344 1.00 45.14 H new ATOM 0 HZ3 TRP A 130 -8.576 14.152 2.682 1.00 24.22 H new ATOM 0 HH2 TRP A 130 -8.106 15.950 4.329 1.00 45.54 H new ATOM 1887 N ALA A 131 -6.892 6.244 5.306 1.00 41.25 N ATOM 1888 CA ALA A 131 -6.819 4.878 4.828 1.00 31.44 C ATOM 1889 C ALA A 131 -7.437 3.903 5.827 1.00 45.14 C ATOM 1890 O ALA A 131 -6.866 2.846 6.104 1.00 72.23 O ATOM 1891 CB ALA A 131 -5.370 4.504 4.476 1.00 10.11 C ATOM 0 H ALA A 131 -7.064 6.293 6.310 1.00 41.25 H new ATOM 0 HA ALA A 131 -7.409 4.805 3.914 1.00 31.44 H new ATOM 0 HB1 ALA A 131 -5.336 3.475 4.119 1.00 10.11 H new ATOM 0 HB2 ALA A 131 -5.001 5.171 3.696 1.00 10.11 H new ATOM 0 HB3 ALA A 131 -4.743 4.601 5.363 1.00 10.11 H new ATOM 1897 N ASP A 132 -8.622 4.234 6.344 1.00 1.53 N ATOM 1898 CA ASP A 132 -9.374 3.350 7.234 1.00 42.31 C ATOM 1899 C ASP A 132 -10.471 2.581 6.490 1.00 32.24 C ATOM 1900 O ASP A 132 -11.468 2.135 7.055 1.00 13.44 O ATOM 1901 CB ASP A 132 -9.902 4.129 8.453 1.00 5.43 C ATOM 1902 CG ASP A 132 -9.910 3.238 9.697 1.00 4.13 C ATOM 1903 OD1 ASP A 132 -9.922 1.992 9.580 1.00 73.02 O ATOM 1904 OD2 ASP A 132 -9.751 3.781 10.810 1.00 72.32 O ATOM 0 H ASP A 132 -9.086 5.123 6.157 1.00 1.53 H new ATOM 0 HA ASP A 132 -8.692 2.588 7.613 1.00 42.31 H new ATOM 0 HB2 ASP A 132 -9.278 5.005 8.630 1.00 5.43 H new ATOM 0 HB3 ASP A 132 -10.910 4.491 8.252 1.00 5.43 H new ATOM 1908 N GLY A 133 -10.280 2.412 5.186 1.00 64.43 N ATOM 1909 CA GLY A 133 -11.237 1.755 4.306 1.00 53.44 C ATOM 1910 C GLY A 133 -10.993 0.254 4.242 1.00 41.51 C ATOM 1911 O GLY A 133 -11.937 -0.530 4.307 1.00 31.31 O ATOM 0 H GLY A 133 -9.441 2.734 4.704 1.00 64.43 H new ATOM 0 HA2 GLY A 133 -12.250 1.946 4.660 1.00 53.44 H new ATOM 0 HA3 GLY A 133 -11.164 2.180 3.305 1.00 53.44 H new ATOM 1915 N LEU A 134 -9.728 -0.134 4.085 1.00 52.24 N ATOM 1916 CA LEU A 134 -9.289 -1.510 3.910 1.00 42.55 C ATOM 1917 C LEU A 134 -8.334 -1.849 5.057 1.00 33.41 C ATOM 1918 O LEU A 134 -7.588 -0.985 5.531 1.00 62.32 O ATOM 1919 CB LEU A 134 -8.617 -1.691 2.533 1.00 71.23 C ATOM 1920 CG LEU A 134 -9.478 -1.563 1.251 1.00 1.31 C ATOM 1921 CD1 LEU A 134 -10.699 -2.476 1.314 1.00 13.23 C ATOM 1922 CD2 LEU A 134 -9.945 -0.149 0.865 1.00 14.23 C ATOM 0 H LEU A 134 -8.954 0.530 4.077 1.00 52.24 H new ATOM 0 HA LEU A 134 -10.140 -2.191 3.936 1.00 42.55 H new ATOM 0 HB2 LEU A 134 -7.812 -0.960 2.462 1.00 71.23 H new ATOM 0 HB3 LEU A 134 -8.154 -2.678 2.521 1.00 71.23 H new ATOM 0 HG LEU A 134 -8.783 -1.865 0.468 1.00 1.31 H new ATOM 0 HD11 LEU A 134 -11.284 -2.365 0.401 1.00 13.23 H new ATOM 0 HD12 LEU A 134 -10.374 -3.512 1.413 1.00 13.23 H new ATOM 0 HD13 LEU A 134 -11.312 -2.205 2.173 1.00 13.23 H new ATOM 0 HD21 LEU A 134 -10.537 -0.198 -0.049 1.00 14.23 H new ATOM 0 HD22 LEU A 134 -10.552 0.266 1.669 1.00 14.23 H new ATOM 0 HD23 LEU A 134 -9.077 0.489 0.700 1.00 14.23 H new ATOM 1933 N ASN A 135 -8.378 -3.098 5.516 1.00 30.01 N ATOM 1934 CA ASN A 135 -7.907 -3.531 6.832 1.00 53.55 C ATOM 1935 C ASN A 135 -6.393 -3.450 7.010 1.00 51.45 C ATOM 1936 O ASN A 135 -5.667 -4.314 6.518 1.00 70.33 O ATOM 1937 CB ASN A 135 -8.349 -4.974 7.054 1.00 44.34 C ATOM 1938 CG ASN A 135 -7.877 -5.500 8.395 1.00 2.33 C ATOM 1939 OD1 ASN A 135 -8.376 -5.076 9.433 1.00 53.12 O ATOM 1940 ND2 ASN A 135 -6.913 -6.395 8.395 1.00 42.31 N ATOM 0 H ASN A 135 -8.757 -3.866 4.962 1.00 30.01 H new ATOM 0 HA ASN A 135 -8.342 -2.848 7.561 1.00 53.55 H new ATOM 0 HB2 ASN A 135 -9.436 -5.035 7.000 1.00 44.34 H new ATOM 0 HB3 ASN A 135 -7.955 -5.603 6.256 1.00 44.34 H new ATOM 0 HD21 ASN A 135 -6.556 -6.760 9.278 1.00 42.31 H new ATOM 0 HD22 ASN A 135 -6.523 -6.724 7.512 1.00 42.31 H new ATOM 1946 N VAL A 136 -5.913 -2.455 7.750 1.00 5.51 N ATOM 1947 CA VAL A 136 -4.508 -2.313 8.110 1.00 41.25 C ATOM 1948 C VAL A 136 -4.085 -3.459 9.045 1.00 65.03 C ATOM 1949 O VAL A 136 -4.678 -3.630 10.114 1.00 74.24 O ATOM 1950 CB VAL A 136 -4.281 -0.914 8.725 1.00 62.15 C ATOM 1951 CG1 VAL A 136 -2.824 -0.685 9.158 1.00 53.21 C ATOM 1952 CG2 VAL A 136 -4.638 0.166 7.692 1.00 62.35 C ATOM 0 H VAL A 136 -6.502 -1.711 8.123 1.00 5.51 H new ATOM 0 HA VAL A 136 -3.876 -2.387 7.225 1.00 41.25 H new ATOM 0 HB VAL A 136 -4.917 -0.854 9.608 1.00 62.15 H new ATOM 0 HG11 VAL A 136 -2.723 0.314 9.583 1.00 53.21 H new ATOM 0 HG12 VAL A 136 -2.546 -1.427 9.906 1.00 53.21 H new ATOM 0 HG13 VAL A 136 -2.168 -0.779 8.292 1.00 53.21 H new ATOM 0 HG21 VAL A 136 -4.478 1.153 8.127 1.00 62.35 H new ATOM 0 HG22 VAL A 136 -4.006 0.050 6.811 1.00 62.35 H new ATOM 0 HG23 VAL A 136 -5.684 0.062 7.404 1.00 62.35 H new ATOM 1962 N ILE A 137 -3.052 -4.226 8.677 1.00 21.04 N ATOM 1963 CA ILE A 137 -2.300 -5.092 9.584 1.00 25.11 C ATOM 1964 C ILE A 137 -0.938 -4.483 9.960 1.00 4.41 C ATOM 1965 O ILE A 137 -0.209 -5.059 10.766 1.00 2.42 O ATOM 1966 CB ILE A 137 -2.141 -6.498 8.989 1.00 3.32 C ATOM 1967 CG1 ILE A 137 -1.468 -6.419 7.607 1.00 33.00 C ATOM 1968 CG2 ILE A 137 -3.505 -7.202 8.929 1.00 50.52 C ATOM 1969 CD1 ILE A 137 -0.811 -7.729 7.205 1.00 61.24 C ATOM 0 H ILE A 137 -2.710 -4.260 7.717 1.00 21.04 H new ATOM 0 HA ILE A 137 -2.874 -5.179 10.507 1.00 25.11 H new ATOM 0 HB ILE A 137 -1.493 -7.093 9.632 1.00 3.32 H new ATOM 0 HG12 ILE A 137 -2.212 -6.145 6.859 1.00 33.00 H new ATOM 0 HG13 ILE A 137 -0.718 -5.628 7.616 1.00 33.00 H new ATOM 0 HG21 ILE A 137 -3.382 -8.199 8.505 1.00 50.52 H new ATOM 0 HG22 ILE A 137 -3.917 -7.284 9.935 1.00 50.52 H new ATOM 0 HG23 ILE A 137 -4.186 -6.624 8.304 1.00 50.52 H new ATOM 0 HD11 ILE A 137 -0.351 -7.619 6.223 1.00 61.24 H new ATOM 0 HD12 ILE A 137 -0.047 -7.992 7.936 1.00 61.24 H new ATOM 0 HD13 ILE A 137 -1.563 -8.517 7.167 1.00 61.24 H new ATOM 1980 N GLY A 138 -0.581 -3.323 9.403 1.00 23.13 N ATOM 1981 CA GLY A 138 0.535 -2.543 9.901 1.00 71.21 C ATOM 1982 C GLY A 138 0.948 -1.441 8.939 1.00 12.44 C ATOM 1983 O GLY A 138 0.601 -1.423 7.760 1.00 45.41 O ATOM 0 H GLY A 138 -1.057 -2.908 8.602 1.00 23.13 H new ATOM 0 HA2 GLY A 138 0.266 -2.102 10.861 1.00 71.21 H new ATOM 0 HA3 GLY A 138 1.384 -3.202 10.080 1.00 71.21 H new ATOM 1987 N VAL A 139 1.718 -0.507 9.469 1.00 5.14 N ATOM 1988 CA VAL A 139 2.345 0.615 8.811 1.00 62.31 C ATOM 1989 C VAL A 139 3.635 0.941 9.552 1.00 4.14 C ATOM 1990 O VAL A 139 3.647 1.406 10.694 1.00 31.02 O ATOM 1991 CB VAL A 139 1.326 1.743 8.555 1.00 64.15 C ATOM 1992 CG1 VAL A 139 0.393 1.952 9.736 1.00 44.24 C ATOM 1993 CG2 VAL A 139 1.990 3.070 8.174 1.00 50.42 C ATOM 0 H VAL A 139 1.938 -0.521 10.465 1.00 5.14 H new ATOM 0 HA VAL A 139 2.670 0.394 7.794 1.00 62.31 H new ATOM 0 HB VAL A 139 0.736 1.409 7.702 1.00 64.15 H new ATOM 0 HG11 VAL A 139 -0.307 2.756 9.509 1.00 44.24 H new ATOM 0 HG12 VAL A 139 -0.161 1.033 9.929 1.00 44.24 H new ATOM 0 HG13 VAL A 139 0.976 2.217 10.618 1.00 44.24 H new ATOM 0 HG21 VAL A 139 1.223 3.826 8.006 1.00 50.42 H new ATOM 0 HG22 VAL A 139 2.647 3.393 8.981 1.00 50.42 H new ATOM 0 HG23 VAL A 139 2.573 2.937 7.263 1.00 50.42 H new ATOM 2003 N ALA A 140 4.741 0.609 8.900 1.00 44.42 N ATOM 2004 CA ALA A 140 6.115 0.715 9.368 1.00 10.53 C ATOM 2005 C ALA A 140 6.959 1.288 8.242 1.00 74.42 C ATOM 2006 O ALA A 140 6.405 1.766 7.245 1.00 5.43 O ATOM 2007 CB ALA A 140 6.621 -0.640 9.878 1.00 32.30 C ATOM 0 H ALA A 140 4.696 0.228 7.955 1.00 44.42 H new ATOM 0 HA ALA A 140 6.183 1.391 10.220 1.00 10.53 H new ATOM 0 HB1 ALA A 140 7.650 -0.538 10.223 1.00 32.30 H new ATOM 0 HB2 ALA A 140 5.993 -0.976 10.703 1.00 32.30 H new ATOM 0 HB3 ALA A 140 6.580 -1.371 9.071 1.00 32.30 H new ATOM 2013 N ARG A 141 8.272 1.392 8.434 1.00 44.44 N ATOM 2014 CA ARG A 141 9.154 1.942 7.423 1.00 74.44 C ATOM 2015 C ARG A 141 10.227 0.928 7.098 1.00 30.20 C ATOM 2016 O ARG A 141 10.576 0.100 7.947 1.00 41.13 O ATOM 2017 CB ARG A 141 9.754 3.293 7.838 1.00 25.34 C ATOM 2018 CG ARG A 141 10.576 3.257 9.135 1.00 42.53 C ATOM 2019 CD ARG A 141 9.877 3.841 10.373 1.00 14.13 C ATOM 2020 NE ARG A 141 8.897 2.941 11.015 1.00 52.42 N ATOM 2021 CZ ARG A 141 9.221 1.935 11.843 1.00 35.01 C ATOM 2022 NH1 ARG A 141 10.486 1.604 12.047 1.00 54.34 N ATOM 2023 NH2 ARG A 141 8.277 1.248 12.471 1.00 21.20 N ATOM 0 H ARG A 141 8.745 1.099 9.289 1.00 44.44 H new ATOM 0 HA ARG A 141 8.568 2.145 6.527 1.00 74.44 H new ATOM 0 HB2 ARG A 141 10.390 3.657 7.031 1.00 25.34 H new ATOM 0 HB3 ARG A 141 8.945 4.014 7.956 1.00 25.34 H new ATOM 0 HG2 ARG A 141 10.847 2.222 9.345 1.00 42.53 H new ATOM 0 HG3 ARG A 141 11.505 3.803 8.972 1.00 42.53 H new ATOM 0 HD2 ARG A 141 10.636 4.111 11.107 1.00 14.13 H new ATOM 0 HD3 ARG A 141 9.369 4.762 10.085 1.00 14.13 H new ATOM 0 HE ARG A 141 7.908 3.094 10.816 1.00 52.42 H new ATOM 0 HH11 ARG A 141 11.230 2.116 11.572 1.00 54.34 H new ATOM 0 HH12 ARG A 141 10.717 0.837 12.679 1.00 54.34 H new ATOM 0 HH21 ARG A 141 7.295 1.482 12.327 1.00 21.20 H new ATOM 0 HH22 ARG A 141 8.533 0.485 13.098 1.00 21.20 H new ATOM 2034 N ASP A 142 10.760 1.056 5.891 1.00 52.04 N ATOM 2035 CA ASP A 142 11.689 0.104 5.308 1.00 43.01 C ATOM 2036 C ASP A 142 11.062 -1.308 5.371 1.00 53.01 C ATOM 2037 O ASP A 142 9.835 -1.427 5.422 1.00 45.45 O ATOM 2038 CB ASP A 142 13.089 0.300 5.928 1.00 74.43 C ATOM 2039 CG ASP A 142 13.636 1.727 5.710 1.00 2.31 C ATOM 2040 OD1 ASP A 142 14.178 2.001 4.613 1.00 11.21 O ATOM 2041 OD2 ASP A 142 13.541 2.597 6.614 1.00 70.33 O ATOM 0 H ASP A 142 10.552 1.844 5.277 1.00 52.04 H new ATOM 0 HA ASP A 142 11.863 0.269 4.245 1.00 43.01 H new ATOM 0 HB2 ASP A 142 13.042 0.091 6.997 1.00 74.43 H new ATOM 0 HB3 ASP A 142 13.780 -0.421 5.492 1.00 74.43 H new ATOM 2045 N ASP A 143 11.838 -2.391 5.286 1.00 24.43 N ATOM 2046 CA ASP A 143 11.363 -3.776 5.104 1.00 13.02 C ATOM 2047 C ASP A 143 11.215 -4.555 6.426 1.00 13.11 C ATOM 2048 O ASP A 143 11.131 -5.787 6.439 1.00 24.40 O ATOM 2049 CB ASP A 143 12.292 -4.525 4.138 1.00 30.31 C ATOM 2050 CG ASP A 143 13.635 -4.889 4.765 1.00 3.13 C ATOM 2051 OD1 ASP A 143 14.276 -4.026 5.405 1.00 50.22 O ATOM 2052 OD2 ASP A 143 14.117 -6.013 4.525 1.00 34.20 O ATOM 0 H ASP A 143 12.855 -2.331 5.344 1.00 24.43 H new ATOM 0 HA ASP A 143 10.361 -3.710 4.680 1.00 13.02 H new ATOM 0 HB2 ASP A 143 11.797 -5.435 3.799 1.00 30.31 H new ATOM 0 HB3 ASP A 143 12.464 -3.908 3.256 1.00 30.31 H new ATOM 2056 N SER A 144 11.201 -3.861 7.564 1.00 52.44 N ATOM 2057 CA SER A 144 11.329 -4.491 8.869 1.00 74.15 C ATOM 2058 C SER A 144 10.076 -5.251 9.362 1.00 61.43 C ATOM 2059 O SER A 144 10.192 -5.929 10.386 1.00 0.13 O ATOM 2060 CB SER A 144 11.846 -3.448 9.868 1.00 14.44 C ATOM 2061 OG SER A 144 12.627 -4.068 10.876 1.00 24.43 O ATOM 0 H SER A 144 11.100 -2.847 7.602 1.00 52.44 H new ATOM 0 HA SER A 144 12.057 -5.297 8.774 1.00 74.15 H new ATOM 0 HB2 SER A 144 12.443 -2.701 9.346 1.00 14.44 H new ATOM 0 HB3 SER A 144 11.005 -2.924 10.322 1.00 14.44 H new ATOM 0 HG SER A 144 12.201 -4.907 11.151 1.00 24.43 H new ATOM 2066 N GLU A 145 8.920 -5.242 8.679 1.00 25.13 N ATOM 2067 CA GLU A 145 7.729 -5.997 9.118 1.00 14.22 C ATOM 2068 C GLU A 145 7.205 -7.007 8.077 1.00 52.42 C ATOM 2069 O GLU A 145 6.153 -7.597 8.305 1.00 12.51 O ATOM 2070 CB GLU A 145 6.622 -5.071 9.690 1.00 2.30 C ATOM 2071 CG GLU A 145 7.033 -4.419 11.025 1.00 73.23 C ATOM 2072 CD GLU A 145 5.929 -3.632 11.760 1.00 40.42 C ATOM 2073 OE1 GLU A 145 4.722 -3.959 11.681 1.00 22.12 O ATOM 2074 OE2 GLU A 145 6.284 -2.721 12.541 1.00 20.30 O ATOM 0 H GLU A 145 8.782 -4.718 7.815 1.00 25.13 H new ATOM 0 HA GLU A 145 8.067 -6.619 9.947 1.00 14.22 H new ATOM 0 HB2 GLU A 145 6.393 -4.291 8.963 1.00 2.30 H new ATOM 0 HB3 GLU A 145 5.709 -5.648 9.837 1.00 2.30 H new ATOM 0 HG2 GLU A 145 7.399 -5.200 11.691 1.00 73.23 H new ATOM 0 HG3 GLU A 145 7.868 -3.744 10.835 1.00 73.23 H new ATOM 2079 N VAL A 146 7.921 -7.295 6.979 1.00 23.04 N ATOM 2080 CA VAL A 146 7.462 -8.260 5.969 1.00 14.22 C ATOM 2081 C VAL A 146 7.146 -9.632 6.586 1.00 62.03 C ATOM 2082 O VAL A 146 6.144 -10.237 6.217 1.00 34.43 O ATOM 2083 CB VAL A 146 8.467 -8.389 4.806 1.00 74.22 C ATOM 2084 CG1 VAL A 146 7.896 -9.248 3.668 1.00 22.43 C ATOM 2085 CG2 VAL A 146 8.818 -7.024 4.205 1.00 24.41 C ATOM 0 H VAL A 146 8.824 -6.871 6.768 1.00 23.04 H new ATOM 0 HA VAL A 146 6.532 -7.867 5.559 1.00 14.22 H new ATOM 0 HB VAL A 146 9.357 -8.854 5.231 1.00 74.22 H new ATOM 0 HG11 VAL A 146 8.628 -9.320 2.864 1.00 22.43 H new ATOM 0 HG12 VAL A 146 7.671 -10.246 4.043 1.00 22.43 H new ATOM 0 HG13 VAL A 146 6.983 -8.789 3.288 1.00 22.43 H new ATOM 0 HG21 VAL A 146 9.528 -7.157 3.389 1.00 24.41 H new ATOM 0 HG22 VAL A 146 7.913 -6.550 3.825 1.00 24.41 H new ATOM 0 HG23 VAL A 146 9.263 -6.392 4.973 1.00 24.41 H new ATOM 2095 N ASP A 147 7.924 -10.087 7.574 1.00 51.32 N ATOM 2096 CA ASP A 147 7.692 -11.365 8.258 1.00 52.11 C ATOM 2097 C ASP A 147 6.303 -11.456 8.898 1.00 33.03 C ATOM 2098 O ASP A 147 5.769 -12.557 9.020 1.00 52.54 O ATOM 2099 CB ASP A 147 8.774 -11.582 9.320 1.00 22.22 C ATOM 2100 CG ASP A 147 8.456 -12.731 10.279 1.00 0.14 C ATOM 2101 OD1 ASP A 147 8.843 -13.890 10.010 1.00 24.31 O ATOM 2102 OD2 ASP A 147 7.919 -12.429 11.373 1.00 35.43 O ATOM 0 H ASP A 147 8.736 -9.578 7.924 1.00 51.32 H new ATOM 0 HA ASP A 147 7.741 -12.149 7.502 1.00 52.11 H new ATOM 0 HB2 ASP A 147 9.724 -11.783 8.825 1.00 22.22 H new ATOM 0 HB3 ASP A 147 8.901 -10.664 9.893 1.00 22.22 H new ATOM 2106 N LYS A 148 5.678 -10.328 9.273 1.00 74.03 N ATOM 2107 CA LYS A 148 4.303 -10.326 9.779 1.00 30.40 C ATOM 2108 C LYS A 148 3.279 -9.902 8.723 1.00 23.21 C ATOM 2109 O LYS A 148 2.082 -10.043 8.982 1.00 41.23 O ATOM 2110 CB LYS A 148 4.169 -9.497 11.069 1.00 30.42 C ATOM 2111 CG LYS A 148 4.448 -8.002 10.870 1.00 65.11 C ATOM 2112 CD LYS A 148 3.640 -7.080 11.794 1.00 33.10 C ATOM 2113 CE LYS A 148 4.349 -6.800 13.118 1.00 72.35 C ATOM 2114 NZ LYS A 148 3.808 -5.585 13.762 1.00 32.11 N ATOM 0 H LYS A 148 6.109 -9.404 9.233 1.00 74.03 H new ATOM 0 HA LYS A 148 4.071 -11.361 10.030 1.00 30.40 H new ATOM 0 HB2 LYS A 148 3.162 -9.620 11.467 1.00 30.42 H new ATOM 0 HB3 LYS A 148 4.858 -9.890 11.817 1.00 30.42 H new ATOM 0 HG2 LYS A 148 5.510 -7.818 11.031 1.00 65.11 H new ATOM 0 HG3 LYS A 148 4.232 -7.739 9.834 1.00 65.11 H new ATOM 0 HD2 LYS A 148 3.450 -6.137 11.282 1.00 33.10 H new ATOM 0 HD3 LYS A 148 2.670 -7.535 11.996 1.00 33.10 H new ATOM 0 HE2 LYS A 148 4.230 -7.653 13.786 1.00 72.35 H new ATOM 0 HE3 LYS A 148 5.418 -6.678 12.943 1.00 72.35 H new ATOM 0 HZ1 LYS A 148 4.258 -5.454 14.690 1.00 32.11 H new ATOM 0 HZ2 LYS A 148 4.004 -4.758 13.163 1.00 32.11 H new ATOM 0 HZ3 LYS A 148 2.781 -5.686 13.887 1.00 32.11 H new ATOM 2124 N TRP A 149 3.716 -9.387 7.574 1.00 21.33 N ATOM 2125 CA TRP A 149 2.883 -8.914 6.471 1.00 30.20 C ATOM 2126 C TRP A 149 2.967 -9.831 5.243 1.00 65.15 C ATOM 2127 O TRP A 149 2.686 -9.393 4.128 1.00 71.14 O ATOM 2128 CB TRP A 149 3.310 -7.515 6.047 1.00 34.44 C ATOM 2129 CG TRP A 149 3.275 -6.454 7.082 1.00 14.30 C ATOM 2130 CD1 TRP A 149 2.547 -6.467 8.215 1.00 32.33 C ATOM 2131 CD2 TRP A 149 3.928 -5.162 7.029 1.00 71.22 C ATOM 2132 NE1 TRP A 149 2.746 -5.290 8.889 1.00 42.15 N ATOM 2133 CE2 TRP A 149 3.548 -4.416 8.182 1.00 34.33 C ATOM 2134 CE3 TRP A 149 4.756 -4.534 6.080 1.00 73.34 C ATOM 2135 CZ2 TRP A 149 3.977 -3.095 8.385 1.00 41.54 C ATOM 2136 CZ3 TRP A 149 5.165 -3.205 6.261 1.00 12.42 C ATOM 2137 CH2 TRP A 149 4.772 -2.485 7.400 1.00 71.25 C ATOM 0 H TRP A 149 4.712 -9.284 7.378 1.00 21.33 H new ATOM 0 HA TRP A 149 1.857 -8.911 6.838 1.00 30.20 H new ATOM 0 HB2 TRP A 149 4.327 -7.575 5.659 1.00 34.44 H new ATOM 0 HB3 TRP A 149 2.671 -7.202 5.221 1.00 34.44 H new ATOM 0 HD1 TRP A 149 1.909 -7.275 8.540 1.00 32.33 H new ATOM 0 HE1 TRP A 149 2.348 -5.084 9.805 1.00 42.15 H new ATOM 0 HE3 TRP A 149 5.079 -5.080 5.206 1.00 73.34 H new ATOM 0 HZ2 TRP A 149 3.701 -2.558 9.281 1.00 41.54 H new ATOM 0 HZ3 TRP A 149 5.788 -2.731 5.517 1.00 12.42 H new ATOM 0 HH2 TRP A 149 5.082 -1.457 7.520 1.00 71.25 H new ATOM 2147 N SER A 150 3.415 -11.072 5.403 1.00 13.53 N ATOM 2148 CA SER A 150 3.453 -12.079 4.346 1.00 12.34 C ATOM 2149 C SER A 150 2.926 -13.421 4.879 1.00 51.11 C ATOM 2150 O SER A 150 3.053 -14.467 4.231 1.00 32.20 O ATOM 2151 CB SER A 150 4.880 -12.122 3.790 1.00 34.24 C ATOM 2152 OG SER A 150 4.960 -12.898 2.613 1.00 53.22 O ATOM 0 H SER A 150 3.771 -11.415 6.295 1.00 13.53 H new ATOM 0 HA SER A 150 2.793 -11.831 3.515 1.00 12.34 H new ATOM 0 HB2 SER A 150 5.219 -11.108 3.581 1.00 34.24 H new ATOM 0 HB3 SER A 150 5.552 -12.534 4.543 1.00 34.24 H new ATOM 0 HG SER A 150 4.381 -13.684 2.700 1.00 53.22 H new ATOM 2157 N LYS A 151 2.312 -13.394 6.063 1.00 43.25 N ATOM 2158 CA LYS A 151 1.768 -14.556 6.733 1.00 4.53 C ATOM 2159 C LYS A 151 0.525 -15.023 5.998 1.00 50.42 C ATOM 2160 O LYS A 151 -0.146 -14.211 5.317 1.00 74.33 O ATOM 2161 CB LYS A 151 1.578 -14.256 8.223 1.00 50.12 C ATOM 2162 CG LYS A 151 2.928 -13.856 8.837 1.00 11.21 C ATOM 2163 CD LYS A 151 3.034 -13.992 10.359 1.00 64.11 C ATOM 2164 CE LYS A 151 2.281 -12.888 11.109 1.00 30.14 C ATOM 2165 NZ LYS A 151 2.870 -12.637 12.445 1.00 13.24 N ATOM 0 H LYS A 151 2.180 -12.531 6.591 1.00 43.25 H new ATOM 0 HA LYS A 151 2.459 -15.398 6.702 1.00 4.53 H new ATOM 0 HB2 LYS A 151 0.853 -13.452 8.354 1.00 50.12 H new ATOM 0 HB3 LYS A 151 1.178 -15.132 8.734 1.00 50.12 H new ATOM 0 HG2 LYS A 151 3.708 -14.466 8.381 1.00 11.21 H new ATOM 0 HG3 LYS A 151 3.135 -12.820 8.568 1.00 11.21 H new ATOM 0 HD2 LYS A 151 2.641 -14.963 10.660 1.00 64.11 H new ATOM 0 HD3 LYS A 151 4.085 -13.970 10.649 1.00 64.11 H new ATOM 0 HE2 LYS A 151 2.302 -11.969 10.523 1.00 30.14 H new ATOM 0 HE3 LYS A 151 1.234 -13.171 11.220 1.00 30.14 H new ATOM 0 HZ1 LYS A 151 2.336 -11.884 12.924 1.00 13.24 H new ATOM 0 HZ2 LYS A 151 2.827 -13.507 13.013 1.00 13.24 H new ATOM 0 HZ3 LYS A 151 3.862 -12.343 12.337 1.00 13.24 H new