USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 996 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 72 GLN : amide:sc= -1.38 X(o=-0.94,f=-0.86!) USER MOD Set 1.2: B 305 THR OG1 : rot 180:sc= 0.435 USER MOD Set 2.1: A 94 LYS NZ :NH3+ -177:sc= 0.789 (180deg=0) USER MOD Set 2.2: B 304 THR OG1 : rot -110:sc= 0.59 USER MOD Set 3.1: A 71 GLN : amide:sc= 0 X(o=-0.35,f=-0.44) USER MOD Set 3.2: A 73 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.014) USER MOD Single : A 3 ASN : amide:sc= -0.241 K(o=-0.24,f=1.1) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0933 USER MOD Single : A 5 ASN : amide:sc= -1.73 K(o=-1.7,f=-0.023) USER MOD Single : A 6 MET CE :methyl -167:sc= -0.0359 (180deg=-0.3) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 73:sc= 0.0947 USER MOD Single : A 15 THR OG1 : rot 47:sc= 0.0582 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0.95 K(o=0.95,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00376 USER MOD Single : A 31 LYS NZ :NH3+ -108:sc= 0.549 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= 0.672 (180deg=-0.666!) USER MOD Single : A 40 SER OG : rot 60:sc= 1.28 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -107:sc= 0.795 (180deg=-0.381!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 165:sc= -0.0188 USER MOD Single : A 49 THR OG1 : rot -73:sc= 0.884 USER MOD Single : A 50 MET CE :methyl 148:sc= -0.0417 (180deg=-0.889) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 2.28 (180deg=2.28) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.489 K(o=0.49,f=-0.3) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0227 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= 1.02 (180deg=0.975) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 4:sc= -0.11 USER MOD Single : A 78 SER OG : rot -57:sc= 0.577 USER MOD Single : A 79 ASN : amide:sc= -0.0488 K(o=-0.049,f=0.54) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -3.35! C(o=-3.3!,f=-2.8!) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= -0.049 (180deg=-0.326) USER MOD Single : A 100 TYR OH : rot -15:sc= -0.0669 USER MOD Single : A 101 THR OG1 : rot -82:sc= 0.0959 USER MOD Single : A 102 MET CE :methyl -142:sc= -2.43! (180deg=-2.91) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -3.99! C(o=-4!,f=-7!) USER MOD Single : B 308 HIS : no HD1:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : B 311 SER OG : rot 103:sc= 1.2 USER MOD Single : B 312 SER OG : rot 87:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 37.531 -25.789 8.075 1.00 1.00 N ATOM 2 CA ASN A 3 36.210 -26.386 8.327 1.00 64.21 C ATOM 3 C ASN A 3 35.401 -25.460 9.197 1.00 1.42 C ATOM 4 O ASN A 3 34.274 -25.080 8.861 1.00 73.22 O ATOM 5 CB ASN A 3 36.332 -27.754 9.034 1.00 71.21 C ATOM 6 CG ASN A 3 37.097 -28.789 8.241 1.00 24.41 C ATOM 7 OD1 ASN A 3 37.971 -28.464 7.448 1.00 11.41 O ATOM 8 ND2 ASN A 3 36.815 -30.035 8.477 1.00 41.45 N ATOM 0 HA ASN A 3 35.720 -26.536 7.365 1.00 64.21 H new ATOM 0 HB2 ASN A 3 36.824 -27.612 9.996 1.00 71.21 H new ATOM 0 HB3 ASN A 3 35.332 -28.135 9.241 1.00 71.21 H new ATOM 0 HD21 ASN A 3 37.328 -30.774 7.996 1.00 41.45 H new ATOM 0 HD22 ASN A 3 36.081 -30.274 9.144 1.00 41.45 H new ATOM 17 N THR A 4 35.971 -25.100 10.315 1.00 21.23 N ATOM 18 CA THR A 4 35.347 -24.234 11.254 1.00 20.42 C ATOM 19 C THR A 4 35.663 -22.774 10.926 1.00 62.42 C ATOM 20 O THR A 4 36.606 -22.485 10.191 1.00 2.41 O ATOM 21 CB THR A 4 35.843 -24.601 12.655 1.00 43.05 C ATOM 22 OG1 THR A 4 37.264 -24.847 12.594 1.00 52.05 O ATOM 23 CG2 THR A 4 35.134 -25.844 13.167 1.00 0.45 C ATOM 0 H THR A 4 36.901 -25.412 10.596 1.00 21.23 H new ATOM 0 HA THR A 4 34.264 -24.352 11.209 1.00 20.42 H new ATOM 0 HB THR A 4 35.630 -23.778 13.337 1.00 43.05 H new ATOM 0 HG1 THR A 4 37.594 -25.082 13.486 1.00 52.05 H new ATOM 0 HG21 THR A 4 35.501 -26.088 14.164 1.00 0.45 H new ATOM 0 HG22 THR A 4 34.061 -25.659 13.211 1.00 0.45 H new ATOM 0 HG23 THR A 4 35.331 -26.678 12.494 1.00 0.45 H new ATOM 31 N ASN A 5 34.861 -21.870 11.413 1.00 20.55 N ATOM 32 CA ASN A 5 35.092 -20.457 11.182 1.00 31.42 C ATOM 33 C ASN A 5 35.594 -19.820 12.447 1.00 64.24 C ATOM 34 O ASN A 5 35.003 -19.998 13.520 1.00 43.23 O ATOM 35 CB ASN A 5 33.814 -19.712 10.706 1.00 31.43 C ATOM 36 CG ASN A 5 33.365 -20.014 9.270 1.00 2.30 C ATOM 37 OD1 ASN A 5 32.781 -19.160 8.607 1.00 54.43 O ATOM 38 ND2 ASN A 5 33.613 -21.204 8.789 1.00 40.12 N ATOM 0 H ASN A 5 34.036 -22.079 11.976 1.00 20.55 H new ATOM 0 HA ASN A 5 35.833 -20.376 10.387 1.00 31.42 H new ATOM 0 HB2 ASN A 5 32.997 -19.961 11.383 1.00 31.43 H new ATOM 0 HB3 ASN A 5 33.986 -18.639 10.796 1.00 31.43 H new ATOM 0 HD21 ASN A 5 33.320 -21.442 7.842 1.00 40.12 H new ATOM 0 HD22 ASN A 5 34.100 -21.894 9.361 1.00 40.12 H new ATOM 45 N MET A 6 36.685 -19.097 12.343 1.00 50.32 N ATOM 46 CA MET A 6 37.221 -18.363 13.478 1.00 55.35 C ATOM 47 C MET A 6 36.475 -17.054 13.606 1.00 55.10 C ATOM 48 O MET A 6 36.424 -16.439 14.666 1.00 33.22 O ATOM 49 CB MET A 6 38.731 -18.140 13.354 1.00 43.32 C ATOM 50 CG MET A 6 39.548 -19.424 13.424 1.00 31.30 C ATOM 51 SD MET A 6 39.293 -20.335 14.974 1.00 50.44 S ATOM 52 CE MET A 6 39.926 -19.168 16.187 1.00 54.43 C ATOM 0 H MET A 6 37.224 -18.998 11.483 1.00 50.32 H new ATOM 0 HA MET A 6 37.077 -18.953 14.383 1.00 55.35 H new ATOM 0 HB2 MET A 6 38.939 -17.639 12.409 1.00 43.32 H new ATOM 0 HB3 MET A 6 39.057 -17.469 14.149 1.00 43.32 H new ATOM 0 HG2 MET A 6 39.282 -20.065 12.583 1.00 31.30 H new ATOM 0 HG3 MET A 6 40.606 -19.183 13.319 1.00 31.30 H new ATOM 0 HE1 MET A 6 40.049 -19.671 17.146 1.00 54.43 H new ATOM 0 HE2 MET A 6 40.889 -18.783 15.853 1.00 54.43 H new ATOM 0 HE3 MET A 6 39.224 -18.342 16.298 1.00 54.43 H new ATOM 62 N SER A 7 35.894 -16.646 12.513 1.00 73.11 N ATOM 63 CA SER A 7 35.011 -15.523 12.464 1.00 53.24 C ATOM 64 C SER A 7 33.679 -16.034 11.929 1.00 5.33 C ATOM 65 O SER A 7 33.505 -16.166 10.719 1.00 12.05 O ATOM 66 CB SER A 7 35.568 -14.436 11.536 1.00 51.30 C ATOM 67 OG SER A 7 36.909 -14.087 11.894 1.00 14.32 O ATOM 0 H SER A 7 36.027 -17.100 11.609 1.00 73.11 H new ATOM 0 HA SER A 7 34.897 -15.080 13.453 1.00 53.24 H new ATOM 0 HB2 SER A 7 35.544 -14.787 10.505 1.00 51.30 H new ATOM 0 HB3 SER A 7 34.933 -13.551 11.586 1.00 51.30 H new ATOM 0 HG SER A 7 37.240 -13.394 11.286 1.00 14.32 H new ATOM 73 N VAL A 8 32.790 -16.419 12.824 1.00 21.31 N ATOM 74 CA VAL A 8 31.506 -16.941 12.416 1.00 5.42 C ATOM 75 C VAL A 8 30.653 -15.832 11.824 1.00 40.44 C ATOM 76 O VAL A 8 30.706 -14.680 12.302 1.00 42.14 O ATOM 77 CB VAL A 8 30.743 -17.666 13.558 1.00 10.22 C ATOM 78 CG1 VAL A 8 31.509 -18.889 14.030 1.00 74.14 C ATOM 79 CG2 VAL A 8 30.451 -16.732 14.724 1.00 45.33 C ATOM 0 H VAL A 8 32.935 -16.380 13.833 1.00 21.31 H new ATOM 0 HA VAL A 8 31.705 -17.697 11.656 1.00 5.42 H new ATOM 0 HB VAL A 8 29.786 -17.993 13.151 1.00 10.22 H new ATOM 0 HG11 VAL A 8 30.954 -19.379 14.830 1.00 74.14 H new ATOM 0 HG12 VAL A 8 31.636 -19.582 13.198 1.00 74.14 H new ATOM 0 HG13 VAL A 8 32.488 -18.585 14.401 1.00 74.14 H new ATOM 0 HG21 VAL A 8 29.916 -17.277 15.502 1.00 45.33 H new ATOM 0 HG22 VAL A 8 31.389 -16.350 15.128 1.00 45.33 H new ATOM 0 HG23 VAL A 8 29.839 -15.899 14.378 1.00 45.33 H new ATOM 89 N PRO A 9 29.878 -16.145 10.776 1.00 74.40 N ATOM 90 CA PRO A 9 29.074 -15.169 10.070 1.00 52.31 C ATOM 91 C PRO A 9 28.016 -14.499 10.945 1.00 2.24 C ATOM 92 O PRO A 9 26.897 -14.994 11.124 1.00 32.11 O ATOM 93 CB PRO A 9 28.447 -15.927 8.900 1.00 13.22 C ATOM 94 CG PRO A 9 28.608 -17.373 9.223 1.00 22.03 C ATOM 95 CD PRO A 9 29.735 -17.495 10.208 1.00 41.32 C ATOM 0 HA PRO A 9 29.696 -14.339 9.735 1.00 52.31 H new ATOM 0 HB2 PRO A 9 27.395 -15.667 8.784 1.00 13.22 H new ATOM 0 HB3 PRO A 9 28.943 -15.678 7.962 1.00 13.22 H new ATOM 0 HG2 PRO A 9 27.687 -17.776 9.643 1.00 22.03 H new ATOM 0 HG3 PRO A 9 28.824 -17.945 8.321 1.00 22.03 H new ATOM 0 HD2 PRO A 9 29.508 -18.229 10.981 1.00 41.32 H new ATOM 0 HD3 PRO A 9 30.654 -17.820 9.721 1.00 41.32 H new ATOM 103 N THR A 10 28.431 -13.419 11.544 1.00 55.24 N ATOM 104 CA THR A 10 27.596 -12.566 12.346 1.00 33.05 C ATOM 105 C THR A 10 27.691 -11.188 11.695 1.00 33.12 C ATOM 106 O THR A 10 27.234 -10.155 12.206 1.00 40.24 O ATOM 107 CB THR A 10 28.166 -12.518 13.773 1.00 53.43 C ATOM 108 OG1 THR A 10 28.573 -13.857 14.136 1.00 13.43 O ATOM 109 CG2 THR A 10 27.107 -12.048 14.765 1.00 1.43 C ATOM 0 H THR A 10 29.396 -13.095 11.486 1.00 55.24 H new ATOM 0 HA THR A 10 26.564 -12.913 12.403 1.00 33.05 H new ATOM 0 HB THR A 10 29.005 -11.823 13.802 1.00 53.43 H new ATOM 0 HG1 THR A 10 29.387 -14.096 13.645 1.00 13.43 H new ATOM 0 HG21 THR A 10 27.534 -12.022 15.768 1.00 1.43 H new ATOM 0 HG22 THR A 10 26.768 -11.050 14.489 1.00 1.43 H new ATOM 0 HG23 THR A 10 26.262 -12.736 14.748 1.00 1.43 H new ATOM 117 N ASP A 11 28.276 -11.235 10.529 1.00 22.24 N ATOM 118 CA ASP A 11 28.585 -10.122 9.711 1.00 52.52 C ATOM 119 C ASP A 11 28.279 -10.565 8.320 1.00 21.43 C ATOM 120 O ASP A 11 28.889 -11.535 7.828 1.00 1.43 O ATOM 121 CB ASP A 11 30.091 -9.786 9.804 1.00 60.33 C ATOM 122 CG ASP A 11 30.563 -9.427 11.199 1.00 32.54 C ATOM 123 OD1 ASP A 11 30.858 -10.338 12.003 1.00 72.40 O ATOM 124 OD2 ASP A 11 30.667 -8.227 11.514 1.00 11.52 O ATOM 0 H ASP A 11 28.564 -12.118 10.108 1.00 22.24 H new ATOM 0 HA ASP A 11 28.023 -9.238 10.012 1.00 52.52 H new ATOM 0 HB2 ASP A 11 30.665 -10.641 9.447 1.00 60.33 H new ATOM 0 HB3 ASP A 11 30.308 -8.954 9.134 1.00 60.33 H new ATOM 129 N GLY A 12 27.317 -9.942 7.710 1.00 24.21 N ATOM 130 CA GLY A 12 26.943 -10.313 6.374 1.00 13.41 C ATOM 131 C GLY A 12 27.786 -9.590 5.370 1.00 44.33 C ATOM 132 O GLY A 12 28.719 -8.864 5.749 1.00 44.55 O ATOM 0 H GLY A 12 26.776 -9.176 8.112 1.00 24.21 H new ATOM 0 HA2 GLY A 12 27.057 -11.389 6.245 1.00 13.41 H new ATOM 0 HA3 GLY A 12 25.891 -10.081 6.208 1.00 13.41 H new ATOM 136 N ALA A 13 27.508 -9.794 4.105 1.00 25.35 N ATOM 137 CA ALA A 13 28.181 -9.053 3.069 1.00 53.32 C ATOM 138 C ALA A 13 27.649 -7.634 3.104 1.00 12.11 C ATOM 139 O ALA A 13 26.540 -7.357 2.624 1.00 52.51 O ATOM 140 CB ALA A 13 27.968 -9.695 1.706 1.00 34.21 C ATOM 0 H ALA A 13 26.820 -10.468 3.769 1.00 25.35 H new ATOM 0 HA ALA A 13 29.257 -9.053 3.241 1.00 53.32 H new ATOM 0 HB1 ALA A 13 28.488 -9.113 0.945 1.00 34.21 H new ATOM 0 HB2 ALA A 13 28.361 -10.712 1.717 1.00 34.21 H new ATOM 0 HB3 ALA A 13 26.902 -9.721 1.478 1.00 34.21 H new ATOM 146 N VAL A 14 28.405 -6.766 3.743 1.00 54.25 N ATOM 147 CA VAL A 14 27.998 -5.401 3.983 1.00 44.45 C ATOM 148 C VAL A 14 27.941 -4.548 2.724 1.00 64.41 C ATOM 149 O VAL A 14 28.945 -4.024 2.247 1.00 53.45 O ATOM 150 CB VAL A 14 28.831 -4.709 5.110 1.00 44.03 C ATOM 151 CG1 VAL A 14 28.533 -5.354 6.454 1.00 13.21 C ATOM 152 CG2 VAL A 14 30.334 -4.779 4.825 1.00 42.41 C ATOM 0 H VAL A 14 29.328 -6.992 4.113 1.00 54.25 H new ATOM 0 HA VAL A 14 26.972 -5.478 4.343 1.00 44.45 H new ATOM 0 HB VAL A 14 28.540 -3.659 5.137 1.00 44.03 H new ATOM 0 HG11 VAL A 14 29.119 -4.863 7.231 1.00 13.21 H new ATOM 0 HG12 VAL A 14 27.472 -5.250 6.680 1.00 13.21 H new ATOM 0 HG13 VAL A 14 28.794 -6.412 6.416 1.00 13.21 H new ATOM 0 HG21 VAL A 14 30.880 -4.288 5.630 1.00 42.41 H new ATOM 0 HG22 VAL A 14 30.644 -5.822 4.760 1.00 42.41 H new ATOM 0 HG23 VAL A 14 30.549 -4.277 3.882 1.00 42.41 H new ATOM 162 N THR A 15 26.779 -4.459 2.162 1.00 62.35 N ATOM 163 CA THR A 15 26.571 -3.619 1.041 1.00 70.21 C ATOM 164 C THR A 15 26.031 -2.272 1.501 1.00 24.34 C ATOM 165 O THR A 15 24.819 -2.067 1.648 1.00 4.22 O ATOM 166 CB THR A 15 25.665 -4.296 -0.004 1.00 71.00 C ATOM 167 OG1 THR A 15 24.501 -4.856 0.637 1.00 53.52 O ATOM 168 CG2 THR A 15 26.425 -5.398 -0.720 1.00 33.25 C ATOM 0 H THR A 15 25.951 -4.969 2.471 1.00 62.35 H new ATOM 0 HA THR A 15 27.525 -3.442 0.544 1.00 70.21 H new ATOM 0 HB THR A 15 25.351 -3.545 -0.729 1.00 71.00 H new ATOM 0 HG1 THR A 15 24.117 -4.197 1.252 1.00 53.52 H new ATOM 0 HG21 THR A 15 25.774 -5.870 -1.456 1.00 33.25 H new ATOM 0 HG22 THR A 15 27.294 -4.973 -1.223 1.00 33.25 H new ATOM 0 HG23 THR A 15 26.753 -6.144 0.004 1.00 33.25 H new ATOM 176 N THR A 16 26.942 -1.398 1.837 1.00 34.01 N ATOM 177 CA THR A 16 26.607 -0.082 2.298 1.00 62.33 C ATOM 178 C THR A 16 27.419 0.952 1.510 1.00 62.33 C ATOM 179 O THR A 16 26.851 1.798 0.805 1.00 4.14 O ATOM 180 CB THR A 16 26.892 0.044 3.815 1.00 32.31 C ATOM 181 OG1 THR A 16 26.226 -1.030 4.512 1.00 45.44 O ATOM 182 CG2 THR A 16 26.388 1.378 4.358 1.00 52.43 C ATOM 0 H THR A 16 27.944 -1.583 1.797 1.00 34.01 H new ATOM 0 HA THR A 16 25.544 0.099 2.136 1.00 62.33 H new ATOM 0 HB THR A 16 27.970 -0.010 3.970 1.00 32.31 H new ATOM 0 HG1 THR A 16 26.404 -0.956 5.473 1.00 45.44 H new ATOM 0 HG21 THR A 16 26.601 1.440 5.425 1.00 52.43 H new ATOM 0 HG22 THR A 16 26.890 2.195 3.840 1.00 52.43 H new ATOM 0 HG23 THR A 16 25.312 1.453 4.198 1.00 52.43 H new ATOM 190 N SER A 17 28.731 0.852 1.606 1.00 53.04 N ATOM 191 CA SER A 17 29.632 1.737 0.904 1.00 52.10 C ATOM 192 C SER A 17 29.844 1.208 -0.514 1.00 61.15 C ATOM 193 O SER A 17 29.769 1.953 -1.497 1.00 12.35 O ATOM 194 CB SER A 17 30.955 1.786 1.662 1.00 13.42 C ATOM 195 OG SER A 17 30.723 2.046 3.046 1.00 72.44 O ATOM 0 H SER A 17 29.201 0.150 2.177 1.00 53.04 H new ATOM 0 HA SER A 17 29.217 2.743 0.844 1.00 52.10 H new ATOM 0 HB2 SER A 17 31.484 0.840 1.546 1.00 13.42 H new ATOM 0 HB3 SER A 17 31.595 2.562 1.241 1.00 13.42 H new ATOM 0 HG SER A 17 31.579 2.073 3.522 1.00 72.44 H new ATOM 201 N GLN A 18 30.074 -0.082 -0.602 1.00 32.21 N ATOM 202 CA GLN A 18 30.246 -0.771 -1.850 1.00 74.22 C ATOM 203 C GLN A 18 29.929 -2.223 -1.605 1.00 44.22 C ATOM 204 O GLN A 18 29.620 -2.611 -0.469 1.00 45.43 O ATOM 205 CB GLN A 18 31.699 -0.665 -2.379 1.00 3.15 C ATOM 206 CG GLN A 18 32.744 -1.352 -1.499 1.00 61.15 C ATOM 207 CD GLN A 18 34.084 -1.499 -2.190 1.00 34.22 C ATOM 208 OE1 GLN A 18 34.960 -0.639 -2.088 1.00 45.24 O ATOM 209 NE2 GLN A 18 34.252 -2.581 -2.908 1.00 0.13 N ATOM 0 H GLN A 18 30.147 -0.691 0.213 1.00 32.21 H new ATOM 0 HA GLN A 18 29.590 -0.322 -2.596 1.00 74.22 H new ATOM 0 HB2 GLN A 18 31.741 -1.099 -3.378 1.00 3.15 H new ATOM 0 HB3 GLN A 18 31.961 0.388 -2.478 1.00 3.15 H new ATOM 0 HG2 GLN A 18 32.874 -0.779 -0.581 1.00 61.15 H new ATOM 0 HG3 GLN A 18 32.379 -2.337 -1.210 1.00 61.15 H new ATOM 0 HE21 GLN A 18 33.505 -3.273 -2.970 1.00 0.13 H new ATOM 0 HE22 GLN A 18 35.130 -2.732 -3.405 1.00 0.13 H new ATOM 218 N ILE A 19 29.995 -3.015 -2.630 1.00 44.01 N ATOM 219 CA ILE A 19 29.865 -4.428 -2.472 1.00 23.43 C ATOM 220 C ILE A 19 31.242 -4.948 -2.070 1.00 41.50 C ATOM 221 O ILE A 19 32.237 -4.618 -2.729 1.00 14.42 O ATOM 222 CB ILE A 19 29.415 -5.109 -3.791 1.00 12.45 C ATOM 223 CG1 ILE A 19 28.097 -4.495 -4.287 1.00 22.44 C ATOM 224 CG2 ILE A 19 29.268 -6.626 -3.599 1.00 51.15 C ATOM 225 CD1 ILE A 19 27.640 -5.015 -5.633 1.00 62.31 C ATOM 0 H ILE A 19 30.139 -2.703 -3.590 1.00 44.01 H new ATOM 0 HA ILE A 19 29.108 -4.654 -1.721 1.00 23.43 H new ATOM 0 HB ILE A 19 30.182 -4.937 -4.546 1.00 12.45 H new ATOM 0 HG12 ILE A 19 27.318 -4.691 -3.550 1.00 22.44 H new ATOM 0 HG13 ILE A 19 28.213 -3.413 -4.348 1.00 22.44 H new ATOM 0 HG21 ILE A 19 28.952 -7.082 -4.537 1.00 51.15 H new ATOM 0 HG22 ILE A 19 30.225 -7.049 -3.294 1.00 51.15 H new ATOM 0 HG23 ILE A 19 28.522 -6.825 -2.829 1.00 51.15 H new ATOM 0 HD11 ILE A 19 26.703 -4.532 -5.911 1.00 62.31 H new ATOM 0 HD12 ILE A 19 28.398 -4.795 -6.385 1.00 62.31 H new ATOM 0 HD13 ILE A 19 27.489 -6.093 -5.574 1.00 62.31 H new ATOM 237 N PRO A 20 31.344 -5.688 -0.961 1.00 42.12 N ATOM 238 CA PRO A 20 32.608 -6.240 -0.523 1.00 24.14 C ATOM 239 C PRO A 20 33.096 -7.283 -1.499 1.00 41.43 C ATOM 240 O PRO A 20 32.539 -8.380 -1.607 1.00 54.35 O ATOM 241 CB PRO A 20 32.319 -6.860 0.833 1.00 53.30 C ATOM 242 CG PRO A 20 30.837 -7.047 0.882 1.00 1.42 C ATOM 243 CD PRO A 20 30.237 -6.039 -0.064 1.00 14.14 C ATOM 0 HA PRO A 20 33.389 -5.482 -0.463 1.00 24.14 H new ATOM 0 HB2 PRO A 20 32.838 -7.812 0.948 1.00 53.30 H new ATOM 0 HB3 PRO A 20 32.659 -6.212 1.641 1.00 53.30 H new ATOM 0 HG2 PRO A 20 30.566 -8.061 0.588 1.00 1.42 H new ATOM 0 HG3 PRO A 20 30.462 -6.897 1.894 1.00 1.42 H new ATOM 0 HD2 PRO A 20 29.396 -6.460 -0.615 1.00 14.14 H new ATOM 0 HD3 PRO A 20 29.863 -5.165 0.469 1.00 14.14 H new ATOM 251 N ALA A 21 34.098 -6.936 -2.217 1.00 65.43 N ATOM 252 CA ALA A 21 34.601 -7.776 -3.258 1.00 14.44 C ATOM 253 C ALA A 21 35.877 -8.442 -2.828 1.00 3.11 C ATOM 254 O ALA A 21 36.912 -7.791 -2.681 1.00 3.25 O ATOM 255 CB ALA A 21 34.803 -6.971 -4.535 1.00 30.13 C ATOM 0 H ALA A 21 34.602 -6.056 -2.105 1.00 65.43 H new ATOM 0 HA ALA A 21 33.869 -8.558 -3.463 1.00 14.44 H new ATOM 0 HB1 ALA A 21 35.186 -7.623 -5.320 1.00 30.13 H new ATOM 0 HB2 ALA A 21 33.851 -6.545 -4.851 1.00 30.13 H new ATOM 0 HB3 ALA A 21 35.516 -6.168 -4.350 1.00 30.13 H new ATOM 261 N SER A 22 35.800 -9.712 -2.581 1.00 30.10 N ATOM 262 CA SER A 22 36.949 -10.463 -2.202 1.00 45.52 C ATOM 263 C SER A 22 37.631 -10.972 -3.452 1.00 75.41 C ATOM 264 O SER A 22 37.021 -11.730 -4.218 1.00 42.35 O ATOM 265 CB SER A 22 36.526 -11.643 -1.324 1.00 50.13 C ATOM 266 OG SER A 22 35.784 -11.199 -0.188 1.00 10.35 O ATOM 0 H SER A 22 34.938 -10.255 -2.637 1.00 30.10 H new ATOM 0 HA SER A 22 37.636 -9.832 -1.638 1.00 45.52 H new ATOM 0 HB2 SER A 22 35.922 -12.337 -1.908 1.00 50.13 H new ATOM 0 HB3 SER A 22 37.409 -12.190 -0.994 1.00 50.13 H new ATOM 0 HG SER A 22 35.524 -11.972 0.356 1.00 10.35 H new ATOM 272 N GLU A 23 38.852 -10.511 -3.704 1.00 72.13 N ATOM 273 CA GLU A 23 39.628 -11.029 -4.808 1.00 51.30 C ATOM 274 C GLU A 23 39.886 -12.482 -4.517 1.00 35.14 C ATOM 275 O GLU A 23 40.597 -12.798 -3.558 1.00 1.53 O ATOM 276 CB GLU A 23 40.969 -10.295 -4.965 1.00 40.41 C ATOM 277 CG GLU A 23 40.860 -8.812 -5.264 1.00 65.24 C ATOM 278 CD GLU A 23 42.214 -8.177 -5.491 1.00 41.23 C ATOM 279 OE1 GLU A 23 42.887 -7.793 -4.511 1.00 12.14 O ATOM 280 OE2 GLU A 23 42.637 -8.044 -6.660 1.00 64.50 O ATOM 0 H GLU A 23 39.317 -9.785 -3.159 1.00 72.13 H new ATOM 0 HA GLU A 23 39.077 -10.888 -5.738 1.00 51.30 H new ATOM 0 HB2 GLU A 23 41.545 -10.424 -4.049 1.00 40.41 H new ATOM 0 HB3 GLU A 23 41.534 -10.771 -5.766 1.00 40.41 H new ATOM 0 HG2 GLU A 23 40.238 -8.665 -6.147 1.00 65.24 H new ATOM 0 HG3 GLU A 23 40.359 -8.311 -4.435 1.00 65.24 H new ATOM 287 N GLN A 24 39.241 -13.355 -5.278 1.00 53.33 N ATOM 288 CA GLN A 24 39.359 -14.781 -5.071 1.00 25.11 C ATOM 289 C GLN A 24 40.780 -15.203 -5.186 1.00 21.45 C ATOM 290 O GLN A 24 41.422 -14.971 -6.212 1.00 14.43 O ATOM 291 CB GLN A 24 38.518 -15.576 -6.059 1.00 75.42 C ATOM 292 CG GLN A 24 37.026 -15.378 -5.926 1.00 1.02 C ATOM 293 CD GLN A 24 36.257 -16.241 -6.896 1.00 43.30 C ATOM 294 OE1 GLN A 24 36.740 -16.562 -7.987 1.00 22.24 O ATOM 295 NE2 GLN A 24 35.070 -16.623 -6.524 1.00 2.23 N ATOM 0 H GLN A 24 38.627 -13.092 -6.049 1.00 53.33 H new ATOM 0 HA GLN A 24 38.988 -14.989 -4.067 1.00 25.11 H new ATOM 0 HB2 GLN A 24 38.817 -15.303 -7.071 1.00 75.42 H new ATOM 0 HB3 GLN A 24 38.742 -16.635 -5.935 1.00 75.42 H new ATOM 0 HG2 GLN A 24 36.718 -15.613 -4.907 1.00 1.02 H new ATOM 0 HG3 GLN A 24 36.782 -14.330 -6.099 1.00 1.02 H new ATOM 0 HE21 GLN A 24 34.704 -16.338 -5.615 1.00 2.23 H new ATOM 0 HE22 GLN A 24 34.506 -17.207 -7.141 1.00 2.23 H new ATOM 304 N GLU A 25 41.283 -15.766 -4.143 1.00 20.02 N ATOM 305 CA GLU A 25 42.609 -16.240 -4.139 1.00 11.33 C ATOM 306 C GLU A 25 42.568 -17.625 -4.780 1.00 22.14 C ATOM 307 O GLU A 25 42.273 -18.626 -4.133 1.00 34.32 O ATOM 308 CB GLU A 25 43.133 -16.251 -2.709 1.00 63.05 C ATOM 309 CG GLU A 25 44.627 -16.110 -2.601 1.00 74.12 C ATOM 310 CD GLU A 25 45.085 -15.995 -1.178 1.00 42.43 C ATOM 311 OE1 GLU A 25 44.910 -14.915 -0.554 1.00 41.50 O ATOM 312 OE2 GLU A 25 45.634 -16.976 -0.655 1.00 53.42 O ATOM 0 H GLU A 25 40.778 -15.908 -3.268 1.00 20.02 H new ATOM 0 HA GLU A 25 43.293 -15.607 -4.704 1.00 11.33 H new ATOM 0 HB2 GLU A 25 42.661 -15.440 -2.154 1.00 63.05 H new ATOM 0 HB3 GLU A 25 42.831 -17.182 -2.230 1.00 63.05 H new ATOM 0 HG2 GLU A 25 45.106 -16.972 -3.066 1.00 74.12 H new ATOM 0 HG3 GLU A 25 44.948 -15.229 -3.156 1.00 74.12 H new ATOM 319 N THR A 26 42.743 -17.624 -6.078 1.00 51.52 N ATOM 320 CA THR A 26 42.609 -18.781 -6.923 1.00 53.31 C ATOM 321 C THR A 26 43.680 -19.833 -6.617 1.00 53.35 C ATOM 322 O THR A 26 44.824 -19.489 -6.298 1.00 30.52 O ATOM 323 CB THR A 26 42.744 -18.319 -8.398 1.00 42.31 C ATOM 324 OG1 THR A 26 41.889 -17.175 -8.610 1.00 20.15 O ATOM 325 CG2 THR A 26 42.341 -19.419 -9.372 1.00 70.41 C ATOM 0 H THR A 26 42.993 -16.781 -6.595 1.00 51.52 H new ATOM 0 HA THR A 26 41.637 -19.240 -6.742 1.00 53.31 H new ATOM 0 HB THR A 26 43.789 -18.067 -8.580 1.00 42.31 H new ATOM 0 HG1 THR A 26 41.969 -16.875 -9.539 1.00 20.15 H new ATOM 0 HG21 THR A 26 42.449 -19.057 -10.394 1.00 70.41 H new ATOM 0 HG22 THR A 26 42.982 -20.288 -9.225 1.00 70.41 H new ATOM 0 HG23 THR A 26 41.303 -19.700 -9.194 1.00 70.41 H new ATOM 333 N LEU A 27 43.297 -21.096 -6.661 1.00 5.11 N ATOM 334 CA LEU A 27 44.252 -22.160 -6.537 1.00 60.50 C ATOM 335 C LEU A 27 45.117 -22.199 -7.770 1.00 75.55 C ATOM 336 O LEU A 27 44.687 -22.595 -8.852 1.00 13.21 O ATOM 337 CB LEU A 27 43.588 -23.510 -6.273 1.00 70.13 C ATOM 338 CG LEU A 27 42.972 -23.687 -4.887 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.338 -25.055 -4.766 1.00 0.21 C ATOM 340 CD2 LEU A 27 44.033 -23.504 -3.808 1.00 40.21 C ATOM 0 H LEU A 27 42.331 -21.401 -6.782 1.00 5.11 H new ATOM 0 HA LEU A 27 44.877 -21.960 -5.667 1.00 60.50 H new ATOM 0 HB2 LEU A 27 42.808 -23.662 -7.019 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.330 -24.294 -6.423 1.00 70.13 H new ATOM 0 HG LEU A 27 42.201 -22.929 -4.751 1.00 24.53 H new ATOM 0 HD11 LEU A 27 41.903 -25.168 -3.773 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.557 -25.162 -5.519 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.097 -25.822 -4.919 1.00 0.21 H new ATOM 0 HD21 LEU A 27 43.579 -23.633 -2.826 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.821 -24.245 -3.944 1.00 40.21 H new ATOM 0 HD23 LEU A 27 44.459 -22.503 -3.882 1.00 40.21 H new ATOM 352 N VAL A 28 46.318 -21.789 -7.597 1.00 40.25 N ATOM 353 CA VAL A 28 47.245 -21.640 -8.664 1.00 11.42 C ATOM 354 C VAL A 28 48.157 -22.824 -8.733 1.00 51.22 C ATOM 355 O VAL A 28 48.336 -23.554 -7.745 1.00 23.41 O ATOM 356 CB VAL A 28 48.027 -20.321 -8.528 1.00 72.31 C ATOM 357 CG1 VAL A 28 47.089 -19.141 -8.782 1.00 1.12 C ATOM 358 CG2 VAL A 28 48.636 -20.189 -7.144 1.00 61.10 C ATOM 0 H VAL A 28 46.698 -21.540 -6.684 1.00 40.25 H new ATOM 0 HA VAL A 28 46.694 -21.593 -9.603 1.00 11.42 H new ATOM 0 HB VAL A 28 48.832 -20.323 -9.263 1.00 72.31 H new ATOM 0 HG11 VAL A 28 47.644 -18.208 -8.685 1.00 1.12 H new ATOM 0 HG12 VAL A 28 46.675 -19.215 -9.788 1.00 1.12 H new ATOM 0 HG13 VAL A 28 46.278 -19.158 -8.054 1.00 1.12 H new ATOM 0 HG21 VAL A 28 49.183 -19.249 -7.075 1.00 61.10 H new ATOM 0 HG22 VAL A 28 47.844 -20.204 -6.395 1.00 61.10 H new ATOM 0 HG23 VAL A 28 49.319 -21.020 -6.966 1.00 61.10 H new ATOM 368 N ARG A 29 48.716 -23.023 -9.889 1.00 35.24 N ATOM 369 CA ARG A 29 49.459 -24.223 -10.183 1.00 74.24 C ATOM 370 C ARG A 29 50.927 -23.932 -10.170 1.00 40.32 C ATOM 371 O ARG A 29 51.362 -23.066 -10.879 1.00 20.51 O ATOM 372 CB ARG A 29 49.053 -24.745 -11.557 1.00 11.01 C ATOM 373 CG ARG A 29 47.604 -25.177 -11.650 1.00 63.52 C ATOM 374 CD ARG A 29 47.243 -25.589 -13.064 1.00 40.33 C ATOM 375 NE ARG A 29 47.179 -24.450 -14.003 1.00 65.21 N ATOM 376 CZ ARG A 29 47.157 -24.568 -15.340 1.00 15.23 C ATOM 377 NH1 ARG A 29 47.320 -25.763 -15.913 1.00 52.24 N ATOM 378 NH2 ARG A 29 46.988 -23.494 -16.104 1.00 32.15 N ATOM 0 H ARG A 29 48.672 -22.358 -10.661 1.00 35.24 H new ATOM 0 HA ARG A 29 49.240 -24.976 -9.426 1.00 74.24 H new ATOM 0 HB2 ARG A 29 49.238 -23.968 -12.298 1.00 11.01 H new ATOM 0 HB3 ARG A 29 49.691 -25.590 -11.816 1.00 11.01 H new ATOM 0 HG2 ARG A 29 47.426 -26.010 -10.969 1.00 63.52 H new ATOM 0 HG3 ARG A 29 46.957 -24.360 -11.330 1.00 63.52 H new ATOM 0 HD2 ARG A 29 47.978 -26.308 -13.425 1.00 40.33 H new ATOM 0 HD3 ARG A 29 46.279 -26.097 -13.053 1.00 40.33 H new ATOM 0 HE ARG A 29 47.150 -23.510 -13.608 1.00 65.21 H new ATOM 0 HH11 ARG A 29 47.462 -26.591 -15.334 1.00 52.24 H new ATOM 0 HH12 ARG A 29 47.303 -25.848 -16.929 1.00 52.24 H new ATOM 0 HH21 ARG A 29 46.874 -22.576 -15.675 1.00 32.15 H new ATOM 0 HH22 ARG A 29 46.972 -23.588 -17.120 1.00 32.15 H new ATOM 392 N PRO A 30 51.699 -24.619 -9.357 1.00 1.41 N ATOM 393 CA PRO A 30 53.126 -24.408 -9.311 1.00 43.14 C ATOM 394 C PRO A 30 53.837 -25.108 -10.452 1.00 24.23 C ATOM 395 O PRO A 30 53.466 -26.227 -10.842 1.00 23.12 O ATOM 396 CB PRO A 30 53.550 -25.055 -7.991 1.00 54.02 C ATOM 397 CG PRO A 30 52.516 -26.093 -7.712 1.00 53.23 C ATOM 398 CD PRO A 30 51.255 -25.660 -8.411 1.00 55.33 C ATOM 0 HA PRO A 30 53.375 -23.350 -9.391 1.00 43.14 H new ATOM 0 HB2 PRO A 30 54.542 -25.500 -8.072 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.595 -24.319 -7.189 1.00 54.02 H new ATOM 0 HG2 PRO A 30 52.842 -27.068 -8.074 1.00 53.23 H new ATOM 0 HG3 PRO A 30 52.348 -26.191 -6.640 1.00 53.23 H new ATOM 0 HD2 PRO A 30 50.782 -26.494 -8.931 1.00 55.33 H new ATOM 0 HD3 PRO A 30 50.523 -25.269 -7.704 1.00 55.33 H new ATOM 406 N LYS A 31 54.829 -24.450 -11.005 1.00 71.41 N ATOM 407 CA LYS A 31 55.722 -25.091 -11.944 1.00 13.12 C ATOM 408 C LYS A 31 56.517 -26.149 -11.156 1.00 60.43 C ATOM 409 O LYS A 31 56.592 -26.041 -9.921 1.00 12.54 O ATOM 410 CB LYS A 31 56.651 -24.038 -12.584 1.00 45.42 C ATOM 411 CG LYS A 31 55.935 -23.088 -13.536 1.00 33.03 C ATOM 412 CD LYS A 31 56.878 -22.035 -14.094 1.00 44.22 C ATOM 413 CE LYS A 31 56.182 -21.161 -15.134 1.00 72.11 C ATOM 414 NZ LYS A 31 57.058 -20.082 -15.637 1.00 53.45 N ATOM 0 H LYS A 31 55.039 -23.469 -10.821 1.00 71.41 H new ATOM 0 HA LYS A 31 55.177 -25.569 -12.758 1.00 13.12 H new ATOM 0 HB2 LYS A 31 57.126 -23.457 -11.794 1.00 45.42 H new ATOM 0 HB3 LYS A 31 57.447 -24.549 -13.125 1.00 45.42 H new ATOM 0 HG2 LYS A 31 55.498 -23.656 -14.357 1.00 33.03 H new ATOM 0 HG3 LYS A 31 55.113 -22.600 -13.013 1.00 33.03 H new ATOM 0 HD2 LYS A 31 57.250 -21.411 -13.282 1.00 44.22 H new ATOM 0 HD3 LYS A 31 57.743 -22.521 -14.545 1.00 44.22 H new ATOM 0 HE2 LYS A 31 55.858 -21.782 -15.969 1.00 72.11 H new ATOM 0 HE3 LYS A 31 55.285 -20.723 -14.696 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 56.736 -19.168 -15.258 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 58.036 -20.258 -15.331 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 57.019 -20.059 -16.676 1.00 53.45 H new ATOM 428 N PRO A 32 57.121 -27.169 -11.819 1.00 4.31 N ATOM 429 CA PRO A 32 57.825 -28.287 -11.137 1.00 5.12 C ATOM 430 C PRO A 32 58.802 -27.815 -10.064 1.00 74.20 C ATOM 431 O PRO A 32 58.861 -28.381 -8.984 1.00 50.13 O ATOM 432 CB PRO A 32 58.584 -28.981 -12.284 1.00 54.05 C ATOM 433 CG PRO A 32 58.545 -27.997 -13.395 1.00 52.24 C ATOM 434 CD PRO A 32 57.207 -27.338 -13.274 1.00 71.25 C ATOM 0 HA PRO A 32 57.126 -28.934 -10.607 1.00 5.12 H new ATOM 0 HB2 PRO A 32 59.609 -29.218 -11.998 1.00 54.05 H new ATOM 0 HB3 PRO A 32 58.107 -29.920 -12.566 1.00 54.05 H new ATOM 0 HG2 PRO A 32 59.353 -27.271 -13.309 1.00 52.24 H new ATOM 0 HG3 PRO A 32 58.659 -28.487 -14.362 1.00 52.24 H new ATOM 0 HD2 PRO A 32 57.164 -26.387 -13.805 1.00 71.25 H new ATOM 0 HD3 PRO A 32 56.402 -27.959 -13.667 1.00 71.25 H new ATOM 442 N LEU A 33 59.510 -26.734 -10.355 1.00 43.22 N ATOM 443 CA LEU A 33 60.495 -26.191 -9.441 1.00 61.34 C ATOM 444 C LEU A 33 59.841 -25.638 -8.158 1.00 33.42 C ATOM 445 O LEU A 33 60.381 -25.772 -7.060 1.00 21.42 O ATOM 446 CB LEU A 33 61.352 -25.131 -10.138 1.00 61.22 C ATOM 447 CG LEU A 33 62.125 -25.620 -11.377 1.00 51.04 C ATOM 448 CD1 LEU A 33 62.942 -24.501 -11.987 1.00 51.51 C ATOM 449 CD2 LEU A 33 63.024 -26.799 -11.033 1.00 21.44 C ATOM 0 H LEU A 33 59.417 -26.213 -11.227 1.00 43.22 H new ATOM 0 HA LEU A 33 61.151 -27.006 -9.135 1.00 61.34 H new ATOM 0 HB2 LEU A 33 60.707 -24.304 -10.436 1.00 61.22 H new ATOM 0 HB3 LEU A 33 62.067 -24.734 -9.417 1.00 61.22 H new ATOM 0 HG LEU A 33 61.390 -25.950 -12.111 1.00 51.04 H new ATOM 0 HD11 LEU A 33 63.477 -24.875 -12.860 1.00 51.51 H new ATOM 0 HD12 LEU A 33 62.280 -23.689 -12.288 1.00 51.51 H new ATOM 0 HD13 LEU A 33 63.658 -24.132 -11.253 1.00 51.51 H new ATOM 0 HD21 LEU A 33 63.557 -27.123 -11.927 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.743 -26.498 -10.271 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.417 -27.621 -10.655 1.00 21.44 H new ATOM 461 N LEU A 34 58.657 -25.076 -8.289 1.00 3.45 N ATOM 462 CA LEU A 34 57.957 -24.568 -7.129 1.00 64.14 C ATOM 463 C LEU A 34 57.354 -25.711 -6.370 1.00 22.24 C ATOM 464 O LEU A 34 57.426 -25.748 -5.156 1.00 75.12 O ATOM 465 CB LEU A 34 56.887 -23.518 -7.470 1.00 35.35 C ATOM 466 CG LEU A 34 57.381 -22.101 -7.779 1.00 62.21 C ATOM 467 CD1 LEU A 34 58.232 -22.051 -9.041 1.00 72.03 C ATOM 468 CD2 LEU A 34 56.206 -21.141 -7.868 1.00 52.54 C ATOM 0 H LEU A 34 58.165 -24.961 -9.175 1.00 3.45 H new ATOM 0 HA LEU A 34 58.692 -24.053 -6.511 1.00 64.14 H new ATOM 0 HB2 LEU A 34 56.323 -23.876 -8.331 1.00 35.35 H new ATOM 0 HB3 LEU A 34 56.190 -23.460 -6.634 1.00 35.35 H new ATOM 0 HG LEU A 34 58.025 -21.789 -6.957 1.00 62.21 H new ATOM 0 HD11 LEU A 34 58.559 -21.027 -9.219 1.00 72.03 H new ATOM 0 HD12 LEU A 34 59.104 -22.694 -8.918 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.643 -22.397 -9.891 1.00 72.03 H new ATOM 0 HD21 LEU A 34 56.572 -20.138 -8.088 1.00 52.54 H new ATOM 0 HD22 LEU A 34 55.532 -21.464 -8.661 1.00 52.54 H new ATOM 0 HD23 LEU A 34 55.671 -21.132 -6.918 1.00 52.54 H new ATOM 480 N LEU A 35 56.804 -26.673 -7.109 1.00 65.12 N ATOM 481 CA LEU A 35 56.223 -27.886 -6.537 1.00 5.32 C ATOM 482 C LEU A 35 57.268 -28.568 -5.657 1.00 54.41 C ATOM 483 O LEU A 35 56.992 -28.986 -4.521 1.00 53.44 O ATOM 484 CB LEU A 35 55.834 -28.821 -7.666 1.00 2.42 C ATOM 485 CG LEU A 35 55.022 -30.036 -7.268 1.00 12.12 C ATOM 486 CD1 LEU A 35 53.642 -29.624 -6.784 1.00 24.24 C ATOM 487 CD2 LEU A 35 54.919 -30.973 -8.424 1.00 71.40 C ATOM 0 H LEU A 35 56.749 -26.632 -8.127 1.00 65.12 H new ATOM 0 HA LEU A 35 55.344 -27.638 -5.942 1.00 5.32 H new ATOM 0 HB2 LEU A 35 55.265 -28.253 -8.403 1.00 2.42 H new ATOM 0 HB3 LEU A 35 56.744 -29.162 -8.160 1.00 2.42 H new ATOM 0 HG LEU A 35 55.526 -30.545 -6.446 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.075 -30.512 -6.503 1.00 24.24 H new ATOM 0 HD12 LEU A 35 53.741 -28.968 -5.919 1.00 24.24 H new ATOM 0 HD13 LEU A 35 53.119 -29.097 -7.582 1.00 24.24 H new ATOM 0 HD21 LEU A 35 54.334 -31.846 -8.134 1.00 71.40 H new ATOM 0 HD22 LEU A 35 54.430 -30.470 -9.258 1.00 71.40 H new ATOM 0 HD23 LEU A 35 55.917 -31.289 -8.726 1.00 71.40 H new ATOM 499 N LYS A 36 58.466 -28.618 -6.206 1.00 42.34 N ATOM 500 CA LYS A 36 59.669 -29.114 -5.575 1.00 34.14 C ATOM 501 C LYS A 36 59.905 -28.459 -4.214 1.00 62.12 C ATOM 502 O LYS A 36 60.041 -29.148 -3.205 1.00 31.42 O ATOM 503 CB LYS A 36 60.839 -28.790 -6.501 1.00 22.41 C ATOM 504 CG LYS A 36 62.214 -28.940 -5.901 1.00 43.13 C ATOM 505 CD LYS A 36 63.251 -28.309 -6.808 1.00 75.31 C ATOM 506 CE LYS A 36 64.631 -28.397 -6.209 1.00 21.21 C ATOM 507 NZ LYS A 36 65.605 -27.582 -6.959 1.00 23.02 N ATOM 0 H LYS A 36 58.633 -28.295 -7.159 1.00 42.34 H new ATOM 0 HA LYS A 36 59.572 -30.187 -5.409 1.00 34.14 H new ATOM 0 HB2 LYS A 36 60.773 -29.435 -7.377 1.00 22.41 H new ATOM 0 HB3 LYS A 36 60.727 -27.764 -6.852 1.00 22.41 H new ATOM 0 HG2 LYS A 36 62.244 -28.468 -4.919 1.00 43.13 H new ATOM 0 HG3 LYS A 36 62.442 -29.996 -5.755 1.00 43.13 H new ATOM 0 HD2 LYS A 36 63.241 -28.808 -7.777 1.00 75.31 H new ATOM 0 HD3 LYS A 36 62.995 -27.264 -6.984 1.00 75.31 H new ATOM 0 HE2 LYS A 36 64.599 -28.063 -5.172 1.00 21.21 H new ATOM 0 HE3 LYS A 36 64.958 -29.437 -6.199 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 66.543 -27.668 -6.517 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 65.654 -27.917 -7.942 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 65.306 -26.586 -6.947 1.00 23.02 H new ATOM 521 N LEU A 37 59.874 -27.136 -4.167 1.00 21.34 N ATOM 522 CA LEU A 37 60.226 -26.455 -2.935 1.00 4.13 C ATOM 523 C LEU A 37 59.080 -26.523 -1.938 1.00 55.22 C ATOM 524 O LEU A 37 59.301 -26.685 -0.745 1.00 44.31 O ATOM 525 CB LEU A 37 60.750 -25.002 -3.178 1.00 20.40 C ATOM 526 CG LEU A 37 59.793 -23.960 -3.791 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.823 -23.372 -2.750 1.00 0.31 C ATOM 528 CD2 LEU A 37 60.574 -22.854 -4.484 1.00 24.22 C ATOM 0 H LEU A 37 59.616 -26.528 -4.945 1.00 21.34 H new ATOM 0 HA LEU A 37 61.069 -26.984 -2.490 1.00 4.13 H new ATOM 0 HB2 LEU A 37 61.094 -24.611 -2.221 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.623 -25.070 -3.827 1.00 20.40 H new ATOM 0 HG LEU A 37 59.188 -24.480 -4.533 1.00 70.33 H new ATOM 0 HD11 LEU A 37 58.170 -22.644 -3.231 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.220 -24.173 -2.322 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.391 -22.883 -1.959 1.00 0.31 H new ATOM 0 HD21 LEU A 37 59.879 -22.130 -4.909 1.00 24.22 H new ATOM 0 HD22 LEU A 37 61.219 -22.356 -3.760 1.00 24.22 H new ATOM 0 HD23 LEU A 37 61.184 -23.283 -5.279 1.00 24.22 H new ATOM 540 N LEU A 38 57.860 -26.470 -2.455 1.00 2.01 N ATOM 541 CA LEU A 38 56.659 -26.510 -1.640 1.00 62.52 C ATOM 542 C LEU A 38 56.562 -27.834 -0.895 1.00 61.11 C ATOM 543 O LEU A 38 56.394 -27.869 0.327 1.00 21.21 O ATOM 544 CB LEU A 38 55.405 -26.309 -2.514 1.00 42.14 C ATOM 545 CG LEU A 38 55.290 -24.970 -3.263 1.00 23.53 C ATOM 546 CD1 LEU A 38 54.126 -25.000 -4.235 1.00 63.33 C ATOM 547 CD2 LEU A 38 55.129 -23.806 -2.299 1.00 34.23 C ATOM 0 H LEU A 38 57.677 -26.398 -3.456 1.00 2.01 H new ATOM 0 HA LEU A 38 56.716 -25.700 -0.913 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.370 -27.113 -3.249 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.526 -26.420 -1.878 1.00 42.14 H new ATOM 0 HG LEU A 38 56.216 -24.826 -3.820 1.00 23.53 H new ATOM 0 HD11 LEU A 38 54.061 -24.044 -4.755 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.279 -25.798 -4.961 1.00 63.33 H new ATOM 0 HD13 LEU A 38 53.200 -25.179 -3.688 1.00 63.33 H new ATOM 0 HD21 LEU A 38 55.051 -22.876 -2.862 1.00 34.23 H new ATOM 0 HD22 LEU A 38 54.226 -23.948 -1.705 1.00 34.23 H new ATOM 0 HD23 LEU A 38 55.994 -23.759 -1.638 1.00 34.23 H new ATOM 559 N LYS A 39 56.723 -28.925 -1.607 1.00 4.41 N ATOM 560 CA LYS A 39 56.575 -30.224 -1.000 1.00 72.50 C ATOM 561 C LYS A 39 57.791 -30.618 -0.184 1.00 71.11 C ATOM 562 O LYS A 39 57.706 -31.488 0.679 1.00 23.23 O ATOM 563 CB LYS A 39 56.182 -31.279 -2.019 1.00 34.33 C ATOM 564 CG LYS A 39 54.806 -31.029 -2.618 1.00 51.34 C ATOM 565 CD LYS A 39 54.404 -32.138 -3.551 1.00 50.31 C ATOM 566 CE LYS A 39 53.007 -31.927 -4.105 1.00 14.03 C ATOM 567 NZ LYS A 39 52.608 -33.030 -5.010 1.00 31.25 N ATOM 0 H LYS A 39 56.955 -28.938 -2.600 1.00 4.41 H new ATOM 0 HA LYS A 39 55.749 -30.156 -0.292 1.00 72.50 H new ATOM 0 HB2 LYS A 39 56.923 -31.302 -2.818 1.00 34.33 H new ATOM 0 HB3 LYS A 39 56.195 -32.260 -1.544 1.00 34.33 H new ATOM 0 HG2 LYS A 39 54.070 -30.939 -1.819 1.00 51.34 H new ATOM 0 HG3 LYS A 39 54.809 -30.081 -3.157 1.00 51.34 H new ATOM 0 HD2 LYS A 39 55.117 -32.198 -4.374 1.00 50.31 H new ATOM 0 HD3 LYS A 39 54.446 -33.091 -3.023 1.00 50.31 H new ATOM 0 HE2 LYS A 39 52.296 -31.855 -3.282 1.00 14.03 H new ATOM 0 HE3 LYS A 39 52.968 -30.981 -4.644 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 51.575 -33.145 -4.982 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 52.906 -32.807 -5.981 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 53.063 -33.913 -4.703 1.00 31.25 H new ATOM 581 N SER A 40 58.907 -29.953 -0.419 1.00 51.14 N ATOM 582 CA SER A 40 60.085 -30.184 0.389 1.00 42.10 C ATOM 583 C SER A 40 59.907 -29.564 1.783 1.00 14.45 C ATOM 584 O SER A 40 60.511 -30.011 2.762 1.00 42.43 O ATOM 585 CB SER A 40 61.351 -29.640 -0.289 1.00 12.23 C ATOM 586 OG SER A 40 61.628 -30.334 -1.501 1.00 61.15 O ATOM 0 H SER A 40 59.020 -29.256 -1.155 1.00 51.14 H new ATOM 0 HA SER A 40 60.209 -31.261 0.497 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.227 -28.577 -0.496 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.199 -29.736 0.389 1.00 12.23 H new ATOM 0 HG SER A 40 60.872 -30.233 -2.116 1.00 61.15 H new ATOM 592 N VAL A 41 59.050 -28.559 1.881 1.00 11.22 N ATOM 593 CA VAL A 41 58.816 -27.901 3.152 1.00 71.41 C ATOM 594 C VAL A 41 57.479 -28.295 3.777 1.00 64.32 C ATOM 595 O VAL A 41 57.023 -27.676 4.745 1.00 51.12 O ATOM 596 CB VAL A 41 58.981 -26.365 3.078 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.425 -26.009 2.754 1.00 44.32 C ATOM 598 CG2 VAL A 41 58.052 -25.765 2.047 1.00 74.11 C ATOM 0 H VAL A 41 58.510 -28.185 1.101 1.00 11.22 H new ATOM 0 HA VAL A 41 59.600 -28.264 3.817 1.00 71.41 H new ATOM 0 HB VAL A 41 58.720 -25.949 4.051 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.530 -24.925 2.704 1.00 44.32 H new ATOM 0 HG12 VAL A 41 61.080 -26.402 3.532 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.700 -26.445 1.794 1.00 44.32 H new ATOM 0 HG21 VAL A 41 58.191 -24.684 2.018 1.00 74.11 H new ATOM 0 HG22 VAL A 41 58.275 -26.186 1.067 1.00 74.11 H new ATOM 0 HG23 VAL A 41 57.019 -25.991 2.312 1.00 74.11 H new ATOM 608 N GLY A 42 56.863 -29.328 3.232 1.00 13.41 N ATOM 609 CA GLY A 42 55.685 -29.876 3.862 1.00 34.34 C ATOM 610 C GLY A 42 54.367 -29.639 3.147 1.00 74.23 C ATOM 611 O GLY A 42 53.311 -29.801 3.758 1.00 22.34 O ATOM 0 H GLY A 42 57.154 -29.794 2.372 1.00 13.41 H new ATOM 0 HA2 GLY A 42 55.825 -30.951 3.973 1.00 34.34 H new ATOM 0 HA3 GLY A 42 55.609 -29.459 4.866 1.00 34.34 H new ATOM 615 N ALA A 43 54.388 -29.264 1.888 1.00 52.43 N ATOM 616 CA ALA A 43 53.127 -29.110 1.161 1.00 31.35 C ATOM 617 C ALA A 43 52.653 -30.460 0.668 1.00 13.11 C ATOM 618 O ALA A 43 53.459 -31.295 0.253 1.00 2.23 O ATOM 619 CB ALA A 43 53.252 -28.142 0.000 1.00 2.41 C ATOM 0 H ALA A 43 55.231 -29.063 1.350 1.00 52.43 H new ATOM 0 HA ALA A 43 52.394 -28.693 1.852 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.292 -28.059 -0.510 1.00 2.41 H new ATOM 0 HB2 ALA A 43 53.550 -27.162 0.374 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.004 -28.508 -0.699 1.00 2.41 H new ATOM 625 N GLN A 44 51.368 -30.691 0.745 1.00 11.11 N ATOM 626 CA GLN A 44 50.785 -31.948 0.312 1.00 14.10 C ATOM 627 C GLN A 44 49.796 -31.733 -0.822 1.00 41.31 C ATOM 628 O GLN A 44 49.246 -32.686 -1.381 1.00 14.35 O ATOM 629 CB GLN A 44 50.118 -32.652 1.484 1.00 34.11 C ATOM 630 CG GLN A 44 51.078 -32.969 2.610 1.00 12.52 C ATOM 631 CD GLN A 44 50.435 -33.774 3.707 1.00 43.54 C ATOM 632 OE1 GLN A 44 49.896 -33.230 4.663 1.00 52.22 O ATOM 633 NE2 GLN A 44 50.469 -35.065 3.572 1.00 5.12 N ATOM 0 H GLN A 44 50.692 -30.019 1.108 1.00 11.11 H new ATOM 0 HA GLN A 44 51.587 -32.583 -0.064 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.313 -32.025 1.867 1.00 34.11 H new ATOM 0 HB3 GLN A 44 49.661 -33.577 1.132 1.00 34.11 H new ATOM 0 HG2 GLN A 44 51.931 -33.519 2.212 1.00 12.52 H new ATOM 0 HG3 GLN A 44 51.465 -32.039 3.026 1.00 12.52 H new ATOM 0 HE21 GLN A 44 50.928 -35.481 2.761 1.00 5.12 H new ATOM 0 HE22 GLN A 44 50.037 -35.663 4.276 1.00 5.12 H new ATOM 642 N LYS A 45 49.582 -30.489 -1.150 1.00 34.22 N ATOM 643 CA LYS A 45 48.687 -30.104 -2.223 1.00 1.22 C ATOM 644 C LYS A 45 49.486 -29.832 -3.486 1.00 34.45 C ATOM 645 O LYS A 45 50.679 -29.512 -3.417 1.00 73.42 O ATOM 646 CB LYS A 45 47.908 -28.841 -1.831 1.00 41.14 C ATOM 647 CG LYS A 45 46.918 -29.028 -0.687 1.00 41.43 C ATOM 648 CD LYS A 45 46.352 -27.691 -0.188 1.00 52.41 C ATOM 649 CE LYS A 45 45.609 -26.906 -1.273 1.00 2.42 C ATOM 650 NZ LYS A 45 45.041 -25.634 -0.744 1.00 21.35 N ATOM 0 H LYS A 45 50.025 -29.700 -0.679 1.00 34.22 H new ATOM 0 HA LYS A 45 47.984 -30.917 -2.405 1.00 1.22 H new ATOM 0 HB2 LYS A 45 48.620 -28.064 -1.553 1.00 41.14 H new ATOM 0 HB3 LYS A 45 47.367 -28.479 -2.705 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.099 -29.667 -1.018 1.00 41.43 H new ATOM 0 HG3 LYS A 45 47.411 -29.543 0.138 1.00 41.43 H new ATOM 0 HD2 LYS A 45 45.673 -27.879 0.644 1.00 52.41 H new ATOM 0 HD3 LYS A 45 47.168 -27.080 0.198 1.00 52.41 H new ATOM 0 HE2 LYS A 45 46.291 -26.686 -2.094 1.00 2.42 H new ATOM 0 HE3 LYS A 45 44.807 -27.520 -1.681 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 44.008 -25.724 -0.659 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 45.449 -25.434 0.191 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 45.268 -24.855 -1.395 1.00 21.35 H new ATOM 664 N ASP A 46 48.844 -29.974 -4.628 1.00 71.23 N ATOM 665 CA ASP A 46 49.481 -29.668 -5.911 1.00 33.11 C ATOM 666 C ASP A 46 49.021 -28.339 -6.437 1.00 43.41 C ATOM 667 O ASP A 46 49.376 -27.934 -7.534 1.00 45.42 O ATOM 668 CB ASP A 46 49.283 -30.768 -6.959 1.00 22.43 C ATOM 669 CG ASP A 46 50.222 -31.929 -6.762 1.00 54.13 C ATOM 670 OD1 ASP A 46 49.942 -32.817 -5.934 1.00 45.24 O ATOM 671 OD2 ASP A 46 51.286 -31.968 -7.412 1.00 72.22 O ATOM 0 H ASP A 46 47.880 -30.299 -4.703 1.00 71.23 H new ATOM 0 HA ASP A 46 50.552 -29.617 -5.716 1.00 33.11 H new ATOM 0 HB2 ASP A 46 48.254 -31.126 -6.916 1.00 22.43 H new ATOM 0 HB3 ASP A 46 49.433 -30.349 -7.954 1.00 22.43 H new ATOM 676 N THR A 47 48.215 -27.680 -5.663 1.00 73.34 N ATOM 677 CA THR A 47 47.793 -26.336 -5.927 1.00 64.41 C ATOM 678 C THR A 47 47.862 -25.575 -4.642 1.00 71.43 C ATOM 679 O THR A 47 47.856 -26.183 -3.565 1.00 40.44 O ATOM 680 CB THR A 47 46.374 -26.247 -6.507 1.00 20.33 C ATOM 681 OG1 THR A 47 45.513 -27.174 -5.849 1.00 44.41 O ATOM 682 CG2 THR A 47 46.354 -26.471 -8.005 1.00 54.35 C ATOM 0 H THR A 47 47.821 -28.071 -4.807 1.00 73.34 H new ATOM 0 HA THR A 47 48.456 -25.915 -6.683 1.00 64.41 H new ATOM 0 HB THR A 47 46.011 -25.235 -6.330 1.00 20.33 H new ATOM 0 HG1 THR A 47 44.611 -27.107 -6.226 1.00 44.41 H new ATOM 0 HG21 THR A 47 45.330 -26.399 -8.370 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.968 -25.715 -8.494 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.750 -27.461 -8.230 1.00 54.35 H new ATOM 690 N TYR A 48 47.932 -24.289 -4.721 1.00 21.32 N ATOM 691 CA TYR A 48 48.065 -23.492 -3.536 1.00 72.11 C ATOM 692 C TYR A 48 47.429 -22.146 -3.743 1.00 63.32 C ATOM 693 O TYR A 48 47.069 -21.795 -4.869 1.00 44.22 O ATOM 694 CB TYR A 48 49.558 -23.328 -3.186 1.00 30.34 C ATOM 695 CG TYR A 48 50.383 -22.643 -4.271 1.00 40.51 C ATOM 696 CD1 TYR A 48 50.873 -23.349 -5.357 1.00 21.34 C ATOM 697 CD2 TYR A 48 50.663 -21.293 -4.205 1.00 63.43 C ATOM 698 CE1 TYR A 48 51.612 -22.723 -6.336 1.00 2.02 C ATOM 699 CE2 TYR A 48 51.406 -20.666 -5.185 1.00 12.51 C ATOM 700 CZ TYR A 48 51.875 -21.386 -6.245 1.00 2.34 C ATOM 701 OH TYR A 48 52.618 -20.765 -7.218 1.00 72.12 O ATOM 0 H TYR A 48 47.900 -23.761 -5.593 1.00 21.32 H new ATOM 0 HA TYR A 48 47.558 -23.992 -2.710 1.00 72.11 H new ATOM 0 HB2 TYR A 48 49.642 -22.753 -2.264 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.984 -24.312 -2.988 1.00 30.34 H new ATOM 0 HD1 TYR A 48 50.672 -24.407 -5.437 1.00 21.34 H new ATOM 0 HD2 TYR A 48 50.294 -20.716 -3.370 1.00 63.43 H new ATOM 0 HE1 TYR A 48 51.984 -23.290 -7.177 1.00 2.02 H new ATOM 0 HE2 TYR A 48 51.615 -19.609 -5.113 1.00 12.51 H new ATOM 0 HH TYR A 48 52.518 -19.794 -7.136 1.00 72.12 H new ATOM 711 N THR A 49 47.264 -21.429 -2.680 1.00 4.35 N ATOM 712 CA THR A 49 46.791 -20.086 -2.727 1.00 1.34 C ATOM 713 C THR A 49 47.953 -19.159 -2.413 1.00 15.00 C ATOM 714 O THR A 49 49.036 -19.633 -2.009 1.00 52.25 O ATOM 715 CB THR A 49 45.658 -19.864 -1.706 1.00 51.02 C ATOM 716 OG1 THR A 49 46.005 -20.492 -0.459 1.00 64.22 O ATOM 717 CG2 THR A 49 44.336 -20.412 -2.196 1.00 61.52 C ATOM 0 H THR A 49 47.458 -21.767 -1.737 1.00 4.35 H new ATOM 0 HA THR A 49 46.393 -19.878 -3.720 1.00 1.34 H new ATOM 0 HB THR A 49 45.541 -18.789 -1.570 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.923 -21.464 -0.548 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.567 -20.233 -1.444 1.00 61.52 H new ATOM 0 HG22 THR A 49 44.058 -19.915 -3.125 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.429 -21.484 -2.372 1.00 61.52 H new ATOM 725 N MET A 50 47.746 -17.875 -2.586 1.00 21.14 N ATOM 726 CA MET A 50 48.773 -16.868 -2.269 1.00 1.43 C ATOM 727 C MET A 50 49.204 -16.969 -0.799 1.00 72.53 C ATOM 728 O MET A 50 50.378 -16.844 -0.483 1.00 74.21 O ATOM 729 CB MET A 50 48.300 -15.439 -2.594 1.00 22.31 C ATOM 730 CG MET A 50 48.089 -15.166 -4.083 1.00 4.50 C ATOM 731 SD MET A 50 49.307 -14.031 -4.820 1.00 33.11 S ATOM 732 CE MET A 50 50.855 -14.927 -4.636 1.00 73.31 C ATOM 0 H MET A 50 46.875 -17.485 -2.946 1.00 21.14 H new ATOM 0 HA MET A 50 49.635 -17.081 -2.902 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.365 -15.250 -2.067 1.00 22.31 H new ATOM 0 HB3 MET A 50 49.033 -14.730 -2.208 1.00 22.31 H new ATOM 0 HG2 MET A 50 48.121 -16.113 -4.622 1.00 4.50 H new ATOM 0 HG3 MET A 50 47.091 -14.751 -4.226 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.517 -14.684 -5.467 1.00 73.31 H new ATOM 0 HE2 MET A 50 51.331 -14.642 -3.698 1.00 73.31 H new ATOM 0 HE3 MET A 50 50.657 -15.999 -4.631 1.00 73.31 H new ATOM 742 N LYS A 51 48.259 -17.238 0.081 1.00 14.32 N ATOM 743 CA LYS A 51 48.556 -17.427 1.501 1.00 64.44 C ATOM 744 C LYS A 51 49.430 -18.663 1.732 1.00 30.11 C ATOM 745 O LYS A 51 50.381 -18.634 2.520 1.00 14.04 O ATOM 746 CB LYS A 51 47.270 -17.563 2.306 1.00 41.10 C ATOM 747 CG LYS A 51 46.418 -16.311 2.316 1.00 73.21 C ATOM 748 CD LYS A 51 45.164 -16.504 3.144 1.00 42.42 C ATOM 749 CE LYS A 51 44.329 -15.243 3.176 1.00 70.32 C ATOM 750 NZ LYS A 51 43.764 -14.878 1.850 1.00 25.31 N ATOM 0 H LYS A 51 47.272 -17.332 -0.157 1.00 14.32 H new ATOM 0 HA LYS A 51 49.103 -16.546 1.836 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.683 -18.387 1.899 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.522 -17.828 3.333 1.00 41.10 H new ATOM 0 HG2 LYS A 51 46.996 -15.478 2.717 1.00 73.21 H new ATOM 0 HG3 LYS A 51 46.145 -16.047 1.295 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.575 -17.323 2.731 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.437 -16.789 4.160 1.00 42.42 H new ATOM 0 HE2 LYS A 51 43.513 -15.374 3.887 1.00 70.32 H new ATOM 0 HE3 LYS A 51 44.942 -14.419 3.541 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 43.203 -14.007 1.939 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 44.538 -14.723 1.173 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 43.154 -15.648 1.508 1.00 25.31 H new ATOM 764 N GLU A 52 49.126 -19.726 1.033 1.00 55.54 N ATOM 765 CA GLU A 52 49.850 -20.982 1.194 1.00 75.23 C ATOM 766 C GLU A 52 51.260 -20.888 0.655 1.00 14.34 C ATOM 767 O GLU A 52 52.192 -21.446 1.241 1.00 34.14 O ATOM 768 CB GLU A 52 49.103 -22.133 0.560 1.00 51.14 C ATOM 769 CG GLU A 52 47.789 -22.435 1.237 1.00 60.21 C ATOM 770 CD GLU A 52 47.010 -23.475 0.508 1.00 40.45 C ATOM 771 OE1 GLU A 52 46.404 -23.149 -0.528 1.00 34.40 O ATOM 772 OE2 GLU A 52 46.987 -24.644 0.938 1.00 4.25 O ATOM 0 H GLU A 52 48.378 -19.757 0.340 1.00 55.54 H new ATOM 0 HA GLU A 52 49.920 -21.177 2.264 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.919 -21.904 -0.490 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.731 -23.024 0.587 1.00 51.14 H new ATOM 0 HG2 GLU A 52 47.976 -22.771 2.257 1.00 60.21 H new ATOM 0 HG3 GLU A 52 47.198 -21.521 1.305 1.00 60.21 H new ATOM 779 N VAL A 53 51.438 -20.170 -0.439 1.00 43.32 N ATOM 780 CA VAL A 53 52.769 -19.981 -0.968 1.00 51.12 C ATOM 781 C VAL A 53 53.585 -19.116 -0.036 1.00 21.10 C ATOM 782 O VAL A 53 54.721 -19.403 0.179 1.00 11.23 O ATOM 783 CB VAL A 53 52.790 -19.470 -2.428 1.00 30.31 C ATOM 784 CG1 VAL A 53 52.108 -18.141 -2.601 1.00 1.34 C ATOM 785 CG2 VAL A 53 54.185 -19.449 -2.999 1.00 10.42 C ATOM 0 H VAL A 53 50.692 -19.718 -0.967 1.00 43.32 H new ATOM 0 HA VAL A 53 53.237 -20.964 -1.018 1.00 51.12 H new ATOM 0 HB VAL A 53 52.207 -20.192 -3.000 1.00 30.31 H new ATOM 0 HG11 VAL A 53 52.158 -17.840 -3.647 1.00 1.34 H new ATOM 0 HG12 VAL A 53 51.065 -18.225 -2.297 1.00 1.34 H new ATOM 0 HG13 VAL A 53 52.606 -17.393 -1.984 1.00 1.34 H new ATOM 0 HG21 VAL A 53 54.153 -19.084 -4.025 1.00 10.42 H new ATOM 0 HG22 VAL A 53 54.814 -18.791 -2.399 1.00 10.42 H new ATOM 0 HG23 VAL A 53 54.599 -20.457 -2.986 1.00 10.42 H new ATOM 795 N LEU A 54 52.973 -18.093 0.557 1.00 70.30 N ATOM 796 CA LEU A 54 53.652 -17.299 1.593 1.00 2.43 C ATOM 797 C LEU A 54 54.192 -18.240 2.657 1.00 14.03 C ATOM 798 O LEU A 54 55.351 -18.196 3.008 1.00 21.52 O ATOM 799 CB LEU A 54 52.713 -16.277 2.285 1.00 11.33 C ATOM 800 CG LEU A 54 52.056 -15.202 1.419 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.304 -14.195 2.272 1.00 70.35 C ATOM 802 CD2 LEU A 54 53.058 -14.539 0.492 1.00 72.44 C ATOM 0 H LEU A 54 52.021 -17.793 0.346 1.00 70.30 H new ATOM 0 HA LEU A 54 54.447 -16.741 1.099 1.00 2.43 H new ATOM 0 HB2 LEU A 54 51.920 -16.836 2.782 1.00 11.33 H new ATOM 0 HB3 LEU A 54 53.285 -15.774 3.065 1.00 11.33 H new ATOM 0 HG LEU A 54 51.321 -15.692 0.780 1.00 21.01 H new ATOM 0 HD11 LEU A 54 50.847 -13.443 1.629 1.00 70.35 H new ATOM 0 HD12 LEU A 54 50.527 -14.707 2.840 1.00 70.35 H new ATOM 0 HD13 LEU A 54 51.997 -13.712 2.960 1.00 70.35 H new ATOM 0 HD21 LEU A 54 52.553 -13.781 -0.107 1.00 72.44 H new ATOM 0 HD22 LEU A 54 53.845 -14.070 1.083 1.00 72.44 H new ATOM 0 HD23 LEU A 54 53.496 -15.289 -0.166 1.00 72.44 H new ATOM 814 N PHE A 55 53.363 -19.163 3.070 1.00 3.44 N ATOM 815 CA PHE A 55 53.740 -20.086 4.102 1.00 31.34 C ATOM 816 C PHE A 55 54.902 -20.973 3.641 1.00 34.30 C ATOM 817 O PHE A 55 55.985 -20.900 4.183 1.00 13.01 O ATOM 818 CB PHE A 55 52.526 -20.924 4.542 1.00 43.03 C ATOM 819 CG PHE A 55 52.787 -21.885 5.676 1.00 50.44 C ATOM 820 CD1 PHE A 55 52.896 -21.424 6.973 1.00 13.12 C ATOM 821 CD2 PHE A 55 52.898 -23.245 5.444 1.00 43.53 C ATOM 822 CE1 PHE A 55 53.115 -22.298 8.020 1.00 72.04 C ATOM 823 CE2 PHE A 55 53.120 -24.125 6.486 1.00 44.21 C ATOM 824 CZ PHE A 55 53.227 -23.651 7.775 1.00 42.14 C ATOM 0 H PHE A 55 52.420 -19.294 2.704 1.00 3.44 H new ATOM 0 HA PHE A 55 54.086 -19.520 4.967 1.00 31.34 H new ATOM 0 HB2 PHE A 55 51.725 -20.247 4.838 1.00 43.03 H new ATOM 0 HB3 PHE A 55 52.164 -21.490 3.683 1.00 43.03 H new ATOM 0 HD1 PHE A 55 52.809 -20.366 7.171 1.00 13.12 H new ATOM 0 HD2 PHE A 55 52.810 -23.623 4.436 1.00 43.53 H new ATOM 0 HE1 PHE A 55 53.198 -21.923 9.029 1.00 72.04 H new ATOM 0 HE2 PHE A 55 53.210 -25.183 6.290 1.00 44.21 H new ATOM 0 HZ PHE A 55 53.398 -24.337 8.592 1.00 42.14 H new ATOM 834 N TYR A 56 54.691 -21.740 2.602 1.00 63.30 N ATOM 835 CA TYR A 56 55.684 -22.714 2.168 1.00 1.22 C ATOM 836 C TYR A 56 56.913 -22.108 1.507 1.00 62.54 C ATOM 837 O TYR A 56 58.031 -22.541 1.781 1.00 21.03 O ATOM 838 CB TYR A 56 55.085 -23.742 1.244 1.00 51.34 C ATOM 839 CG TYR A 56 54.041 -24.600 1.875 1.00 64.03 C ATOM 840 CD1 TYR A 56 54.366 -25.460 2.904 1.00 1.33 C ATOM 841 CD2 TYR A 56 52.736 -24.558 1.437 1.00 33.42 C ATOM 842 CE1 TYR A 56 53.414 -26.258 3.485 1.00 50.53 C ATOM 843 CE2 TYR A 56 51.771 -25.350 2.010 1.00 32.12 C ATOM 844 CZ TYR A 56 52.117 -26.200 3.038 1.00 61.21 C ATOM 845 OH TYR A 56 51.168 -27.000 3.613 1.00 44.45 O ATOM 0 H TYR A 56 53.844 -21.716 2.035 1.00 63.30 H new ATOM 0 HA TYR A 56 56.018 -23.187 3.091 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.649 -23.231 0.385 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.882 -24.380 0.864 1.00 51.34 H new ATOM 0 HD1 TYR A 56 55.386 -25.505 3.257 1.00 1.33 H new ATOM 0 HD2 TYR A 56 52.467 -23.892 0.630 1.00 33.42 H new ATOM 0 HE1 TYR A 56 53.683 -26.928 4.289 1.00 50.53 H new ATOM 0 HE2 TYR A 56 50.751 -25.307 1.658 1.00 32.12 H new ATOM 0 HH TYR A 56 50.301 -26.839 3.185 1.00 44.45 H new ATOM 855 N LEU A 57 56.720 -21.113 0.653 1.00 33.41 N ATOM 856 CA LEU A 57 57.829 -20.524 -0.085 1.00 40.31 C ATOM 857 C LEU A 57 58.787 -19.897 0.927 1.00 40.54 C ATOM 858 O LEU A 57 60.007 -20.049 0.833 1.00 5.14 O ATOM 859 CB LEU A 57 57.293 -19.471 -1.100 1.00 53.03 C ATOM 860 CG LEU A 57 58.166 -19.092 -2.323 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.423 -18.133 -3.225 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.485 -18.480 -1.938 1.00 3.30 C ATOM 0 H LEU A 57 55.810 -20.698 0.454 1.00 33.41 H new ATOM 0 HA LEU A 57 58.361 -21.282 -0.660 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.338 -19.835 -1.478 1.00 53.03 H new ATOM 0 HB3 LEU A 57 57.088 -18.555 -0.546 1.00 53.03 H new ATOM 0 HG LEU A 57 58.374 -20.024 -2.848 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.050 -17.877 -4.079 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.504 -18.602 -3.577 1.00 53.32 H new ATOM 0 HD13 LEU A 57 57.178 -17.227 -2.670 1.00 53.32 H new ATOM 0 HD21 LEU A 57 60.050 -18.237 -2.838 1.00 3.30 H new ATOM 0 HD22 LEU A 57 59.310 -17.571 -1.363 1.00 3.30 H new ATOM 0 HD23 LEU A 57 60.052 -19.188 -1.334 1.00 3.30 H new ATOM 874 N GLY A 58 58.199 -19.282 1.944 1.00 34.05 N ATOM 875 CA GLY A 58 58.958 -18.635 2.992 1.00 74.30 C ATOM 876 C GLY A 58 59.799 -19.607 3.768 1.00 10.41 C ATOM 877 O GLY A 58 60.942 -19.290 4.124 1.00 32.52 O ATOM 0 H GLY A 58 57.188 -19.221 2.061 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.600 -17.871 2.554 1.00 74.30 H new ATOM 0 HA3 GLY A 58 58.275 -18.126 3.671 1.00 74.30 H new ATOM 881 N GLN A 59 59.259 -20.813 3.992 1.00 63.23 N ATOM 882 CA GLN A 59 59.976 -21.854 4.730 1.00 64.13 C ATOM 883 C GLN A 59 61.268 -22.172 4.015 1.00 12.12 C ATOM 884 O GLN A 59 62.334 -22.218 4.623 1.00 60.00 O ATOM 885 CB GLN A 59 59.168 -23.157 4.815 1.00 61.45 C ATOM 886 CG GLN A 59 57.752 -23.008 5.299 1.00 71.21 C ATOM 887 CD GLN A 59 57.635 -22.368 6.653 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.499 -22.513 7.513 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.590 -21.630 6.830 1.00 73.55 N ATOM 0 H GLN A 59 58.330 -21.088 3.672 1.00 63.23 H new ATOM 0 HA GLN A 59 60.151 -21.474 5.737 1.00 64.13 H new ATOM 0 HB2 GLN A 59 59.150 -23.618 3.828 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.690 -23.846 5.479 1.00 61.45 H new ATOM 0 HG2 GLN A 59 57.193 -22.413 4.577 1.00 71.21 H new ATOM 0 HG3 GLN A 59 57.284 -23.992 5.332 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.898 -21.539 6.086 1.00 73.55 H new ATOM 0 HE22 GLN A 59 56.457 -21.138 7.713 1.00 73.55 H new ATOM 898 N TYR A 60 61.165 -22.334 2.702 1.00 52.35 N ATOM 899 CA TYR A 60 62.292 -22.731 1.891 1.00 12.25 C ATOM 900 C TYR A 60 63.378 -21.655 1.885 1.00 54.12 C ATOM 901 O TYR A 60 64.558 -21.962 1.982 1.00 53.15 O ATOM 902 CB TYR A 60 61.855 -23.075 0.459 1.00 33.44 C ATOM 903 CG TYR A 60 62.938 -23.773 -0.333 1.00 22.14 C ATOM 904 CD1 TYR A 60 63.179 -25.127 -0.142 1.00 22.44 C ATOM 905 CD2 TYR A 60 63.736 -23.084 -1.242 1.00 3.25 C ATOM 906 CE1 TYR A 60 64.176 -25.779 -0.830 1.00 63.13 C ATOM 907 CE2 TYR A 60 64.744 -23.731 -1.931 1.00 41.23 C ATOM 908 CZ TYR A 60 64.957 -25.081 -1.719 1.00 64.01 C ATOM 909 OH TYR A 60 65.966 -25.731 -2.387 1.00 62.05 O ATOM 0 H TYR A 60 60.301 -22.193 2.179 1.00 52.35 H new ATOM 0 HA TYR A 60 62.715 -23.631 2.338 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.971 -23.712 0.497 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.566 -22.160 -0.058 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.572 -25.679 0.560 1.00 22.44 H new ATOM 0 HD2 TYR A 60 63.565 -22.031 -1.411 1.00 3.25 H new ATOM 0 HE1 TYR A 60 64.344 -26.834 -0.672 1.00 63.13 H new ATOM 0 HE2 TYR A 60 65.361 -23.186 -2.630 1.00 41.23 H new ATOM 0 HH TYR A 60 66.425 -25.100 -2.980 1.00 62.05 H new ATOM 919 N ILE A 61 62.968 -20.401 1.840 1.00 22.33 N ATOM 920 CA ILE A 61 63.908 -19.278 1.804 1.00 54.32 C ATOM 921 C ILE A 61 64.663 -19.226 3.119 1.00 22.41 C ATOM 922 O ILE A 61 65.877 -18.988 3.159 1.00 45.34 O ATOM 923 CB ILE A 61 63.165 -17.926 1.645 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.256 -17.933 0.432 1.00 3.12 C ATOM 925 CG2 ILE A 61 64.156 -16.759 1.519 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.431 -16.674 0.301 1.00 12.42 C ATOM 0 H ILE A 61 61.986 -20.126 1.827 1.00 22.33 H new ATOM 0 HA ILE A 61 64.577 -19.428 0.957 1.00 54.32 H new ATOM 0 HB ILE A 61 62.561 -17.792 2.543 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.860 -18.059 -0.466 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.589 -18.793 0.491 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.606 -15.825 1.409 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.777 -16.711 2.413 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.789 -16.912 0.645 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.802 -16.742 -0.587 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.802 -16.558 1.183 1.00 12.42 H new ATOM 0 HD13 ILE A 61 62.093 -15.813 0.212 1.00 12.42 H new ATOM 938 N MET A 62 63.933 -19.481 4.174 1.00 72.44 N ATOM 939 CA MET A 62 64.440 -19.395 5.515 1.00 41.23 C ATOM 940 C MET A 62 65.407 -20.538 5.810 1.00 61.21 C ATOM 941 O MET A 62 66.539 -20.309 6.234 1.00 12.42 O ATOM 942 CB MET A 62 63.257 -19.401 6.491 1.00 32.32 C ATOM 943 CG MET A 62 63.566 -19.090 7.962 1.00 13.52 C ATOM 944 SD MET A 62 64.476 -20.387 8.834 1.00 44.31 S ATOM 945 CE MET A 62 64.597 -19.655 10.465 1.00 63.31 C ATOM 0 H MET A 62 62.953 -19.759 4.122 1.00 72.44 H new ATOM 0 HA MET A 62 65.000 -18.467 5.634 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.523 -18.676 6.138 1.00 32.32 H new ATOM 0 HB3 MET A 62 62.784 -20.382 6.444 1.00 32.32 H new ATOM 0 HG2 MET A 62 64.142 -18.166 8.011 1.00 13.52 H new ATOM 0 HG3 MET A 62 62.627 -18.909 8.486 1.00 13.52 H new ATOM 0 HE1 MET A 62 65.134 -20.332 11.129 1.00 63.31 H new ATOM 0 HE2 MET A 62 65.134 -18.709 10.400 1.00 63.31 H new ATOM 0 HE3 MET A 62 63.596 -19.478 10.860 1.00 63.31 H new ATOM 955 N THR A 63 64.979 -21.748 5.524 1.00 24.30 N ATOM 956 CA THR A 63 65.750 -22.947 5.856 1.00 13.21 C ATOM 957 C THR A 63 67.057 -23.039 5.033 1.00 64.20 C ATOM 958 O THR A 63 68.065 -23.598 5.483 1.00 74.44 O ATOM 959 CB THR A 63 64.882 -24.238 5.694 1.00 32.20 C ATOM 960 OG1 THR A 63 65.576 -25.390 6.196 1.00 73.21 O ATOM 961 CG2 THR A 63 64.509 -24.484 4.239 1.00 71.34 C ATOM 0 H THR A 63 64.092 -21.938 5.057 1.00 24.30 H new ATOM 0 HA THR A 63 66.038 -22.867 6.904 1.00 13.21 H new ATOM 0 HB THR A 63 63.971 -24.079 6.271 1.00 32.20 H new ATOM 0 HG1 THR A 63 65.013 -26.185 6.086 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.906 -25.389 4.166 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.937 -23.636 3.862 1.00 71.34 H new ATOM 0 HG23 THR A 63 65.416 -24.603 3.646 1.00 71.34 H new ATOM 969 N LYS A 64 67.042 -22.453 3.859 1.00 74.50 N ATOM 970 CA LYS A 64 68.191 -22.457 2.971 1.00 35.22 C ATOM 971 C LYS A 64 69.026 -21.222 3.218 1.00 24.12 C ATOM 972 O LYS A 64 70.151 -21.118 2.742 1.00 50.03 O ATOM 973 CB LYS A 64 67.712 -22.468 1.533 1.00 41.22 C ATOM 974 CG LYS A 64 66.934 -23.707 1.142 1.00 22.42 C ATOM 975 CD LYS A 64 67.816 -24.891 0.762 1.00 13.51 C ATOM 976 CE LYS A 64 68.537 -24.638 -0.556 1.00 12.10 C ATOM 977 NZ LYS A 64 69.316 -25.807 -0.999 1.00 42.24 N ATOM 0 H LYS A 64 66.232 -21.957 3.487 1.00 74.50 H new ATOM 0 HA LYS A 64 68.796 -23.344 3.161 1.00 35.22 H new ATOM 0 HB2 LYS A 64 67.085 -21.592 1.365 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.575 -22.373 0.875 1.00 41.22 H new ATOM 0 HG2 LYS A 64 66.289 -23.997 1.972 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.283 -23.466 0.302 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.546 -25.072 1.551 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.206 -25.791 0.680 1.00 13.51 H new ATOM 0 HE2 LYS A 64 67.807 -24.378 -1.323 1.00 12.10 H new ATOM 0 HE3 LYS A 64 69.202 -23.781 -0.446 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 69.789 -25.588 -1.899 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 70.031 -26.041 -0.280 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 68.679 -26.619 -1.131 1.00 42.24 H new ATOM 991 N ARG A 65 68.444 -20.292 3.976 1.00 62.41 N ATOM 992 CA ARG A 65 69.079 -19.007 4.337 1.00 10.24 C ATOM 993 C ARG A 65 69.370 -18.199 3.090 1.00 55.32 C ATOM 994 O ARG A 65 70.458 -17.645 2.913 1.00 33.21 O ATOM 995 CB ARG A 65 70.376 -19.165 5.159 1.00 10.13 C ATOM 996 CG ARG A 65 70.245 -19.823 6.522 1.00 12.01 C ATOM 997 CD ARG A 65 70.252 -21.329 6.423 1.00 0.21 C ATOM 998 NE ARG A 65 71.524 -21.814 5.861 1.00 35.32 N ATOM 999 CZ ARG A 65 71.814 -23.081 5.593 1.00 62.31 C ATOM 1000 NH1 ARG A 65 70.866 -24.018 5.670 1.00 53.35 N ATOM 1001 NH2 ARG A 65 73.042 -23.401 5.202 1.00 23.34 N ATOM 0 H ARG A 65 67.508 -20.403 4.365 1.00 62.41 H new ATOM 0 HA ARG A 65 68.363 -18.487 4.973 1.00 10.24 H new ATOM 0 HB2 ARG A 65 71.085 -19.745 4.568 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.812 -18.176 5.299 1.00 10.13 H new ATOM 0 HG2 ARG A 65 71.065 -19.498 7.163 1.00 12.01 H new ATOM 0 HG3 ARG A 65 69.320 -19.495 6.996 1.00 12.01 H new ATOM 0 HD2 ARG A 65 70.098 -21.763 7.411 1.00 0.21 H new ATOM 0 HD3 ARG A 65 69.424 -21.660 5.797 1.00 0.21 H new ATOM 0 HE ARG A 65 72.242 -21.118 5.661 1.00 35.32 H new ATOM 0 HH11 ARG A 65 69.915 -23.761 5.935 1.00 53.35 H new ATOM 0 HH12 ARG A 65 71.092 -24.991 5.463 1.00 53.35 H new ATOM 0 HH21 ARG A 65 73.753 -22.676 5.110 1.00 23.34 H new ATOM 0 HH22 ARG A 65 73.274 -24.372 4.994 1.00 23.34 H new ATOM 1015 N LEU A 66 68.384 -18.108 2.242 1.00 53.51 N ATOM 1016 CA LEU A 66 68.529 -17.396 0.993 1.00 71.15 C ATOM 1017 C LEU A 66 68.347 -15.906 1.199 1.00 32.04 C ATOM 1018 O LEU A 66 68.594 -15.096 0.284 1.00 73.22 O ATOM 1019 CB LEU A 66 67.541 -17.929 -0.038 1.00 33.23 C ATOM 1020 CG LEU A 66 67.704 -19.402 -0.410 1.00 74.22 C ATOM 1021 CD1 LEU A 66 66.638 -19.830 -1.400 1.00 34.12 C ATOM 1022 CD2 LEU A 66 69.097 -19.675 -0.967 1.00 42.44 C ATOM 0 H LEU A 66 67.463 -18.520 2.390 1.00 53.51 H new ATOM 0 HA LEU A 66 69.539 -17.560 0.617 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.531 -17.779 0.342 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.633 -17.332 -0.945 1.00 33.23 H new ATOM 0 HG LEU A 66 67.582 -19.992 0.499 1.00 74.22 H new ATOM 0 HD11 LEU A 66 66.775 -20.882 -1.650 1.00 34.12 H new ATOM 0 HD12 LEU A 66 65.652 -19.687 -0.958 1.00 34.12 H new ATOM 0 HD13 LEU A 66 66.720 -19.229 -2.305 1.00 34.12 H new ATOM 0 HD21 LEU A 66 69.186 -20.731 -1.224 1.00 42.44 H new ATOM 0 HD22 LEU A 66 69.257 -19.070 -1.859 1.00 42.44 H new ATOM 0 HD23 LEU A 66 69.845 -19.420 -0.217 1.00 42.44 H new ATOM 1034 N TYR A 67 67.921 -15.540 2.389 1.00 50.33 N ATOM 1035 CA TYR A 67 67.739 -14.158 2.718 1.00 63.44 C ATOM 1036 C TYR A 67 69.008 -13.617 3.347 1.00 41.21 C ATOM 1037 O TYR A 67 69.894 -14.398 3.749 1.00 0.14 O ATOM 1038 CB TYR A 67 66.508 -13.920 3.609 1.00 32.51 C ATOM 1039 CG TYR A 67 66.609 -14.481 5.006 1.00 55.05 C ATOM 1040 CD1 TYR A 67 66.225 -15.782 5.289 1.00 24.21 C ATOM 1041 CD2 TYR A 67 67.083 -13.694 6.045 1.00 64.31 C ATOM 1042 CE1 TYR A 67 66.308 -16.279 6.570 1.00 3.00 C ATOM 1043 CE2 TYR A 67 67.175 -14.187 7.326 1.00 44.51 C ATOM 1044 CZ TYR A 67 66.784 -15.480 7.584 1.00 62.24 C ATOM 1045 OH TYR A 67 66.854 -15.976 8.871 1.00 52.04 O ATOM 0 H TYR A 67 67.696 -16.190 3.142 1.00 50.33 H new ATOM 0 HA TYR A 67 67.541 -13.611 1.796 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.331 -12.847 3.677 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.636 -14.356 3.121 1.00 32.51 H new ATOM 0 HD1 TYR A 67 65.856 -16.414 4.495 1.00 24.21 H new ATOM 0 HD2 TYR A 67 67.385 -12.677 5.845 1.00 64.31 H new ATOM 0 HE1 TYR A 67 66.000 -17.293 6.779 1.00 3.00 H new ATOM 0 HE2 TYR A 67 67.552 -13.563 8.123 1.00 44.51 H new ATOM 0 HH TYR A 67 67.213 -15.287 9.468 1.00 52.04 H new ATOM 1055 N ASP A 68 69.095 -12.320 3.447 1.00 63.44 N ATOM 1056 CA ASP A 68 70.294 -11.666 3.919 1.00 21.32 C ATOM 1057 C ASP A 68 70.502 -11.829 5.408 1.00 52.35 C ATOM 1058 O ASP A 68 69.561 -11.919 6.182 1.00 13.34 O ATOM 1059 CB ASP A 68 70.298 -10.192 3.570 1.00 1.00 C ATOM 1060 CG ASP A 68 71.601 -9.538 3.953 1.00 51.10 C ATOM 1061 OD1 ASP A 68 72.673 -10.012 3.523 1.00 24.12 O ATOM 1062 OD2 ASP A 68 71.587 -8.610 4.759 1.00 62.33 O ATOM 0 H ASP A 68 68.338 -11.681 3.204 1.00 63.44 H new ATOM 0 HA ASP A 68 71.120 -12.160 3.407 1.00 21.32 H new ATOM 0 HB2 ASP A 68 70.129 -10.070 2.500 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.475 -9.693 4.082 1.00 1.00 H new ATOM 1067 N GLU A 69 71.740 -11.848 5.779 1.00 63.22 N ATOM 1068 CA GLU A 69 72.156 -11.981 7.137 1.00 62.14 C ATOM 1069 C GLU A 69 71.921 -10.691 7.944 1.00 64.00 C ATOM 1070 O GLU A 69 71.682 -10.757 9.142 1.00 30.11 O ATOM 1071 CB GLU A 69 73.614 -12.399 7.174 1.00 42.41 C ATOM 1072 CG GLU A 69 74.504 -11.523 6.315 1.00 61.33 C ATOM 1073 CD GLU A 69 75.914 -11.974 6.311 1.00 74.11 C ATOM 1074 OE1 GLU A 69 76.208 -13.056 5.768 1.00 52.31 O ATOM 1075 OE2 GLU A 69 76.755 -11.270 6.843 1.00 24.54 O ATOM 0 H GLU A 69 72.517 -11.769 5.122 1.00 63.22 H new ATOM 0 HA GLU A 69 71.548 -12.752 7.611 1.00 62.14 H new ATOM 0 HB2 GLU A 69 73.969 -12.368 8.204 1.00 42.41 H new ATOM 0 HB3 GLU A 69 73.698 -13.433 6.839 1.00 42.41 H new ATOM 0 HG2 GLU A 69 74.125 -11.518 5.293 1.00 61.33 H new ATOM 0 HG3 GLU A 69 74.456 -10.496 6.678 1.00 61.33 H new ATOM 1082 N LYS A 70 71.948 -9.523 7.309 1.00 21.31 N ATOM 1083 CA LYS A 70 71.742 -8.298 8.066 1.00 43.13 C ATOM 1084 C LYS A 70 70.307 -7.864 7.926 1.00 3.23 C ATOM 1085 O LYS A 70 69.714 -7.309 8.854 1.00 14.52 O ATOM 1086 CB LYS A 70 72.556 -7.170 7.474 1.00 51.11 C ATOM 1087 CG LYS A 70 73.943 -7.504 7.048 1.00 5.05 C ATOM 1088 CD LYS A 70 74.842 -7.868 8.191 1.00 31.00 C ATOM 1089 CE LYS A 70 76.278 -7.801 7.751 1.00 65.43 C ATOM 1090 NZ LYS A 70 76.576 -8.667 6.593 1.00 33.03 N ATOM 0 H LYS A 70 72.105 -9.401 6.308 1.00 21.31 H new ATOM 0 HA LYS A 70 72.023 -8.496 9.100 1.00 43.13 H new ATOM 0 HB2 LYS A 70 72.019 -6.778 6.610 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.609 -6.366 8.208 1.00 51.11 H new ATOM 0 HG2 LYS A 70 73.909 -8.334 6.343 1.00 5.05 H new ATOM 0 HG3 LYS A 70 74.368 -6.652 6.517 1.00 5.05 H new ATOM 0 HD2 LYS A 70 74.676 -7.188 9.027 1.00 31.00 H new ATOM 0 HD3 LYS A 70 74.607 -8.872 8.545 1.00 31.00 H new ATOM 0 HE2 LYS A 70 76.525 -6.770 7.498 1.00 65.43 H new ATOM 0 HE3 LYS A 70 76.920 -8.087 8.584 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 77.572 -8.549 6.319 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 76.402 -9.660 6.848 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 75.964 -8.402 5.795 1.00 33.03 H new ATOM 1104 N GLN A 71 69.739 -8.143 6.780 1.00 50.03 N ATOM 1105 CA GLN A 71 68.377 -7.746 6.515 1.00 5.34 C ATOM 1106 C GLN A 71 67.491 -8.933 6.257 1.00 62.15 C ATOM 1107 O GLN A 71 67.671 -9.653 5.283 1.00 64.52 O ATOM 1108 CB GLN A 71 68.315 -6.811 5.322 1.00 3.32 C ATOM 1109 CG GLN A 71 69.136 -5.552 5.466 1.00 21.51 C ATOM 1110 CD GLN A 71 69.031 -4.690 4.246 1.00 43.20 C ATOM 1111 OE1 GLN A 71 68.165 -3.823 4.156 1.00 23.33 O ATOM 1112 NE2 GLN A 71 69.879 -4.931 3.289 1.00 3.50 N ATOM 0 H GLN A 71 70.196 -8.642 6.017 1.00 50.03 H new ATOM 0 HA GLN A 71 68.017 -7.231 7.405 1.00 5.34 H new ATOM 0 HB2 GLN A 71 68.653 -7.350 4.437 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.275 -6.533 5.149 1.00 3.32 H new ATOM 0 HG2 GLN A 71 68.798 -4.993 6.339 1.00 21.51 H new ATOM 0 HG3 GLN A 71 70.180 -5.814 5.640 1.00 21.51 H new ATOM 0 HE21 GLN A 71 70.583 -5.660 3.403 1.00 3.50 H new ATOM 0 HE22 GLN A 71 69.839 -4.391 2.425 1.00 3.50 H new ATOM 1121 N GLN A 72 66.514 -9.104 7.101 1.00 33.03 N ATOM 1122 CA GLN A 72 65.560 -10.178 6.959 1.00 64.41 C ATOM 1123 C GLN A 72 64.658 -9.896 5.763 1.00 73.12 C ATOM 1124 O GLN A 72 64.304 -10.791 5.014 1.00 1.14 O ATOM 1125 CB GLN A 72 64.699 -10.303 8.216 1.00 2.34 C ATOM 1126 CG GLN A 72 65.476 -10.513 9.501 1.00 64.34 C ATOM 1127 CD GLN A 72 64.562 -10.708 10.687 1.00 20.23 C ATOM 1128 OE1 GLN A 72 64.160 -9.758 11.344 1.00 21.44 O ATOM 1129 NE2 GLN A 72 64.231 -11.934 10.977 1.00 52.04 N ATOM 0 H GLN A 72 66.352 -8.504 7.910 1.00 33.03 H new ATOM 0 HA GLN A 72 66.104 -11.111 6.809 1.00 64.41 H new ATOM 0 HB2 GLN A 72 64.095 -9.401 8.317 1.00 2.34 H new ATOM 0 HB3 GLN A 72 64.009 -11.136 8.085 1.00 2.34 H new ATOM 0 HG2 GLN A 72 66.124 -11.383 9.395 1.00 64.34 H new ATOM 0 HG3 GLN A 72 66.123 -9.654 9.679 1.00 64.34 H new ATOM 0 HE21 GLN A 72 64.583 -12.705 10.409 1.00 52.04 H new ATOM 0 HE22 GLN A 72 63.620 -12.123 11.772 1.00 52.04 H new ATOM 1138 N HIS A 73 64.296 -8.616 5.589 1.00 20.12 N ATOM 1139 CA HIS A 73 63.404 -8.186 4.501 1.00 23.35 C ATOM 1140 C HIS A 73 64.050 -8.231 3.106 1.00 72.14 C ATOM 1141 O HIS A 73 63.423 -7.849 2.115 1.00 10.11 O ATOM 1142 CB HIS A 73 62.788 -6.773 4.786 1.00 41.31 C ATOM 1143 CG HIS A 73 63.754 -5.604 4.807 1.00 54.10 C ATOM 1144 ND1 HIS A 73 64.252 -5.059 5.963 1.00 32.14 N ATOM 1145 CD2 HIS A 73 64.275 -4.858 3.801 1.00 65.33 C ATOM 1146 CE1 HIS A 73 65.031 -4.047 5.684 1.00 3.33 C ATOM 1147 NE2 HIS A 73 65.068 -3.898 4.374 1.00 73.14 N ATOM 0 H HIS A 73 64.610 -7.856 6.192 1.00 20.12 H new ATOM 0 HA HIS A 73 62.600 -8.922 4.483 1.00 23.35 H new ATOM 0 HB2 HIS A 73 62.028 -6.574 4.030 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.278 -6.811 5.749 1.00 41.31 H new ATOM 0 HD2 HIS A 73 64.098 -4.995 2.744 1.00 65.33 H new ATOM 0 HE1 HIS A 73 65.555 -3.436 6.404 1.00 3.33 H new ATOM 0 HE2 HIS A 73 65.598 -3.187 3.871 1.00 73.14 H new ATOM 1155 N ILE A 74 65.255 -8.710 3.027 1.00 50.14 N ATOM 1156 CA ILE A 74 65.969 -8.770 1.775 1.00 22.31 C ATOM 1157 C ILE A 74 66.346 -10.193 1.468 1.00 55.40 C ATOM 1158 O ILE A 74 67.094 -10.825 2.213 1.00 73.00 O ATOM 1159 CB ILE A 74 67.239 -7.857 1.773 1.00 31.00 C ATOM 1160 CG1 ILE A 74 66.850 -6.376 1.860 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.130 -8.107 0.553 1.00 3.51 C ATOM 1162 CD1 ILE A 74 65.894 -5.924 0.773 1.00 73.44 C ATOM 0 H ILE A 74 65.776 -9.072 3.826 1.00 50.14 H new ATOM 0 HA ILE A 74 65.303 -8.394 0.998 1.00 22.31 H new ATOM 0 HB ILE A 74 67.819 -8.119 2.658 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.394 -6.187 2.832 1.00 41.50 H new ATOM 0 HG13 ILE A 74 67.754 -5.770 1.809 1.00 41.50 H new ATOM 0 HG21 ILE A 74 68.999 -7.450 0.596 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.460 -9.146 0.550 1.00 3.51 H new ATOM 0 HG23 ILE A 74 67.566 -7.903 -0.357 1.00 3.51 H new ATOM 0 HD11 ILE A 74 65.668 -4.866 0.904 1.00 73.44 H new ATOM 0 HD12 ILE A 74 66.354 -6.079 -0.203 1.00 73.44 H new ATOM 0 HD13 ILE A 74 64.972 -6.502 0.836 1.00 73.44 H new ATOM 1174 N VAL A 75 65.816 -10.711 0.399 1.00 45.43 N ATOM 1175 CA VAL A 75 66.143 -12.035 -0.001 1.00 24.42 C ATOM 1176 C VAL A 75 66.990 -11.972 -1.230 1.00 52.54 C ATOM 1177 O VAL A 75 66.576 -11.416 -2.232 1.00 42.31 O ATOM 1178 CB VAL A 75 64.903 -12.912 -0.284 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.326 -14.330 -0.625 1.00 1.24 C ATOM 1180 CG2 VAL A 75 63.950 -12.906 0.901 1.00 11.12 C ATOM 0 H VAL A 75 65.154 -10.229 -0.209 1.00 45.43 H new ATOM 0 HA VAL A 75 66.676 -12.500 0.828 1.00 24.42 H new ATOM 0 HB VAL A 75 64.376 -12.492 -1.140 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.442 -14.936 -0.822 1.00 1.24 H new ATOM 0 HG12 VAL A 75 65.962 -14.317 -1.510 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.879 -14.756 0.212 1.00 1.24 H new ATOM 0 HG21 VAL A 75 63.086 -13.531 0.676 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.461 -13.297 1.781 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.619 -11.886 1.097 1.00 11.12 H new ATOM 1190 N TYR A 76 68.173 -12.507 -1.164 1.00 5.33 N ATOM 1191 CA TYR A 76 69.014 -12.517 -2.320 1.00 2.23 C ATOM 1192 C TYR A 76 68.710 -13.709 -3.175 1.00 20.23 C ATOM 1193 O TYR A 76 68.410 -13.559 -4.347 1.00 22.13 O ATOM 1194 CB TYR A 76 70.495 -12.439 -1.968 1.00 71.42 C ATOM 1195 CG TYR A 76 70.911 -11.105 -1.388 1.00 63.21 C ATOM 1196 CD1 TYR A 76 70.883 -9.951 -2.165 1.00 72.11 C ATOM 1197 CD2 TYR A 76 71.330 -10.994 -0.076 1.00 34.51 C ATOM 1198 CE1 TYR A 76 71.260 -8.732 -1.650 1.00 3.12 C ATOM 1199 CE2 TYR A 76 71.710 -9.776 0.444 1.00 53.13 C ATOM 1200 CZ TYR A 76 71.674 -8.651 -0.344 1.00 44.23 C ATOM 1201 OH TYR A 76 72.058 -7.436 0.182 1.00 11.02 O ATOM 0 H TYR A 76 68.573 -12.938 -0.330 1.00 5.33 H new ATOM 0 HA TYR A 76 68.794 -11.616 -2.893 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.732 -13.226 -1.252 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.084 -12.635 -2.864 1.00 71.42 H new ATOM 0 HD1 TYR A 76 70.559 -10.013 -3.193 1.00 72.11 H new ATOM 0 HD2 TYR A 76 71.360 -11.874 0.550 1.00 34.51 H new ATOM 0 HE1 TYR A 76 71.230 -7.847 -2.268 1.00 3.12 H new ATOM 0 HE2 TYR A 76 72.036 -9.706 1.471 1.00 53.13 H new ATOM 0 HH TYR A 76 72.321 -7.554 1.119 1.00 11.02 H new ATOM 1211 N CYS A 77 68.742 -14.899 -2.561 1.00 54.53 N ATOM 1212 CA CYS A 77 68.492 -16.192 -3.235 1.00 52.14 C ATOM 1213 C CYS A 77 69.299 -16.350 -4.533 1.00 4.33 C ATOM 1214 O CYS A 77 68.925 -17.097 -5.433 1.00 62.20 O ATOM 1215 CB CYS A 77 66.971 -16.467 -3.439 1.00 61.41 C ATOM 1216 SG CYS A 77 66.040 -15.206 -4.333 1.00 54.33 S ATOM 0 H CYS A 77 68.945 -14.998 -1.566 1.00 54.53 H new ATOM 0 HA CYS A 77 68.858 -16.965 -2.559 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.863 -17.412 -3.971 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.513 -16.599 -2.459 1.00 61.41 H new ATOM 0 HG CYS A 77 66.853 -14.281 -4.751 1.00 54.33 H new ATOM 1222 N SER A 78 70.443 -15.692 -4.569 1.00 74.53 N ATOM 1223 CA SER A 78 71.345 -15.711 -5.695 1.00 1.24 C ATOM 1224 C SER A 78 72.169 -16.999 -5.641 1.00 20.30 C ATOM 1225 O SER A 78 72.765 -17.424 -6.621 1.00 21.43 O ATOM 1226 CB SER A 78 72.245 -14.492 -5.592 1.00 41.00 C ATOM 1227 OG SER A 78 71.466 -13.333 -5.274 1.00 62.31 O ATOM 0 H SER A 78 70.775 -15.117 -3.795 1.00 74.53 H new ATOM 0 HA SER A 78 70.803 -15.683 -6.641 1.00 1.24 H new ATOM 0 HB2 SER A 78 73.002 -14.653 -4.825 1.00 41.00 H new ATOM 0 HB3 SER A 78 72.772 -14.339 -6.533 1.00 41.00 H new ATOM 0 HG SER A 78 70.775 -13.206 -5.957 1.00 62.31 H new ATOM 1233 N ASN A 79 72.144 -17.629 -4.472 1.00 41.54 N ATOM 1234 CA ASN A 79 72.827 -18.898 -4.222 1.00 73.42 C ATOM 1235 C ASN A 79 71.838 -20.036 -4.547 1.00 0.00 C ATOM 1236 O ASN A 79 72.028 -21.199 -4.195 1.00 53.23 O ATOM 1237 CB ASN A 79 73.239 -18.954 -2.733 1.00 72.51 C ATOM 1238 CG ASN A 79 74.348 -19.963 -2.422 1.00 60.42 C ATOM 1239 OD1 ASN A 79 74.505 -20.988 -3.071 1.00 34.51 O ATOM 1240 ND2 ASN A 79 75.128 -19.667 -1.422 1.00 12.14 N ATOM 0 H ASN A 79 71.643 -17.270 -3.659 1.00 41.54 H new ATOM 0 HA ASN A 79 73.720 -18.997 -4.839 1.00 73.42 H new ATOM 0 HB2 ASN A 79 73.569 -17.963 -2.422 1.00 72.51 H new ATOM 0 HB3 ASN A 79 72.362 -19.200 -2.135 1.00 72.51 H new ATOM 0 HD21 ASN A 79 75.889 -20.296 -1.165 1.00 12.14 H new ATOM 0 HD22 ASN A 79 74.978 -18.806 -0.895 1.00 12.14 H new ATOM 1247 N ASP A 80 70.771 -19.684 -5.228 1.00 63.10 N ATOM 1248 CA ASP A 80 69.756 -20.637 -5.601 1.00 44.31 C ATOM 1249 C ASP A 80 69.220 -20.251 -6.974 1.00 54.24 C ATOM 1250 O ASP A 80 69.613 -19.219 -7.526 1.00 62.42 O ATOM 1251 CB ASP A 80 68.618 -20.659 -4.560 1.00 54.35 C ATOM 1252 CG ASP A 80 67.734 -21.881 -4.703 1.00 4.01 C ATOM 1253 OD1 ASP A 80 68.074 -22.940 -4.140 1.00 51.55 O ATOM 1254 OD2 ASP A 80 66.736 -21.818 -5.432 1.00 31.11 O ATOM 0 H ASP A 80 70.585 -18.730 -5.537 1.00 63.10 H new ATOM 0 HA ASP A 80 70.185 -21.638 -5.637 1.00 44.31 H new ATOM 0 HB2 ASP A 80 69.045 -20.637 -3.557 1.00 54.35 H new ATOM 0 HB3 ASP A 80 68.012 -19.760 -4.668 1.00 54.35 H new ATOM 1259 N LEU A 81 68.337 -21.039 -7.505 1.00 71.31 N ATOM 1260 CA LEU A 81 67.762 -20.811 -8.802 1.00 11.32 C ATOM 1261 C LEU A 81 66.461 -19.991 -8.630 1.00 12.11 C ATOM 1262 O LEU A 81 66.015 -19.325 -9.564 1.00 75.03 O ATOM 1263 CB LEU A 81 67.529 -22.199 -9.475 1.00 25.11 C ATOM 1264 CG LEU A 81 67.168 -22.274 -10.984 1.00 40.03 C ATOM 1265 CD1 LEU A 81 65.731 -21.902 -11.247 1.00 43.44 C ATOM 1266 CD2 LEU A 81 68.103 -21.396 -11.809 1.00 21.25 C ATOM 0 H LEU A 81 67.986 -21.877 -7.042 1.00 71.31 H new ATOM 0 HA LEU A 81 68.420 -20.233 -9.451 1.00 11.32 H new ATOM 0 HB2 LEU A 81 68.434 -22.788 -9.328 1.00 25.11 H new ATOM 0 HB3 LEU A 81 66.731 -22.698 -8.925 1.00 25.11 H new ATOM 0 HG LEU A 81 67.296 -23.312 -11.289 1.00 40.03 H new ATOM 0 HD11 LEU A 81 65.527 -21.970 -12.316 1.00 43.44 H new ATOM 0 HD12 LEU A 81 65.074 -22.585 -10.708 1.00 43.44 H new ATOM 0 HD13 LEU A 81 65.551 -20.882 -10.907 1.00 43.44 H new ATOM 0 HD21 LEU A 81 67.831 -21.464 -12.862 1.00 21.25 H new ATOM 0 HD22 LEU A 81 68.016 -20.361 -11.478 1.00 21.25 H new ATOM 0 HD23 LEU A 81 69.131 -21.734 -11.677 1.00 21.25 H new ATOM 1278 N LEU A 82 65.915 -20.021 -7.393 1.00 22.23 N ATOM 1279 CA LEU A 82 64.664 -19.337 -6.988 1.00 31.14 C ATOM 1280 C LEU A 82 64.567 -17.934 -7.591 1.00 51.53 C ATOM 1281 O LEU A 82 63.697 -17.671 -8.426 1.00 75.13 O ATOM 1282 CB LEU A 82 64.614 -19.255 -5.419 1.00 51.31 C ATOM 1283 CG LEU A 82 63.289 -18.813 -4.701 1.00 44.45 C ATOM 1284 CD1 LEU A 82 63.451 -18.953 -3.202 1.00 51.52 C ATOM 1285 CD2 LEU A 82 62.898 -17.368 -4.994 1.00 64.25 C ATOM 0 H LEU A 82 66.345 -20.537 -6.625 1.00 22.23 H new ATOM 0 HA LEU A 82 63.817 -19.911 -7.362 1.00 31.14 H new ATOM 0 HB2 LEU A 82 64.879 -20.239 -5.034 1.00 51.31 H new ATOM 0 HB3 LEU A 82 65.399 -18.567 -5.104 1.00 51.31 H new ATOM 0 HG LEU A 82 62.503 -19.462 -5.087 1.00 44.45 H new ATOM 0 HD11 LEU A 82 62.530 -18.646 -2.706 1.00 51.52 H new ATOM 0 HD12 LEU A 82 63.667 -19.992 -2.955 1.00 51.52 H new ATOM 0 HD13 LEU A 82 64.273 -18.322 -2.864 1.00 51.52 H new ATOM 0 HD21 LEU A 82 61.974 -17.127 -4.468 1.00 64.25 H new ATOM 0 HD22 LEU A 82 63.692 -16.701 -4.658 1.00 64.25 H new ATOM 0 HD23 LEU A 82 62.748 -17.242 -6.066 1.00 64.25 H new ATOM 1297 N GLY A 83 65.484 -17.056 -7.184 1.00 33.33 N ATOM 1298 CA GLY A 83 65.442 -15.669 -7.602 1.00 13.41 C ATOM 1299 C GLY A 83 65.506 -15.518 -9.086 1.00 23.02 C ATOM 1300 O GLY A 83 64.679 -14.808 -9.687 1.00 63.21 O ATOM 0 H GLY A 83 66.261 -17.288 -6.566 1.00 33.33 H new ATOM 0 HA2 GLY A 83 64.526 -15.209 -7.232 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.274 -15.131 -7.149 1.00 13.41 H new ATOM 1304 N ASP A 84 66.461 -16.213 -9.678 1.00 74.23 N ATOM 1305 CA ASP A 84 66.684 -16.199 -11.114 1.00 72.30 C ATOM 1306 C ASP A 84 65.375 -16.400 -11.841 1.00 60.45 C ATOM 1307 O ASP A 84 64.915 -15.488 -12.516 1.00 21.25 O ATOM 1308 CB ASP A 84 67.683 -17.295 -11.510 1.00 32.43 C ATOM 1309 CG ASP A 84 67.972 -17.333 -12.997 1.00 23.04 C ATOM 1310 OD1 ASP A 84 67.244 -18.014 -13.746 1.00 34.12 O ATOM 1311 OD2 ASP A 84 68.958 -16.682 -13.447 1.00 12.11 O ATOM 0 H ASP A 84 67.112 -16.811 -9.169 1.00 74.23 H new ATOM 0 HA ASP A 84 67.101 -15.232 -11.395 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.616 -17.139 -10.969 1.00 32.43 H new ATOM 0 HB3 ASP A 84 67.292 -18.263 -11.198 1.00 32.43 H new ATOM 1316 N LEU A 85 64.724 -17.531 -11.531 1.00 51.32 N ATOM 1317 CA LEU A 85 63.481 -18.009 -12.122 1.00 55.15 C ATOM 1318 C LEU A 85 62.359 -17.001 -11.968 1.00 45.10 C ATOM 1319 O LEU A 85 61.504 -16.843 -12.857 1.00 62.02 O ATOM 1320 CB LEU A 85 63.106 -19.244 -11.371 1.00 35.13 C ATOM 1321 CG LEU A 85 62.007 -20.093 -11.937 1.00 61.13 C ATOM 1322 CD1 LEU A 85 62.367 -20.633 -13.315 1.00 14.13 C ATOM 1323 CD2 LEU A 85 61.649 -21.214 -10.977 1.00 34.22 C ATOM 0 H LEU A 85 65.078 -18.169 -10.818 1.00 51.32 H new ATOM 0 HA LEU A 85 63.627 -18.184 -13.188 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.997 -19.865 -11.279 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.817 -18.949 -10.362 1.00 35.13 H new ATOM 0 HG LEU A 85 61.127 -19.462 -12.063 1.00 61.13 H new ATOM 0 HD11 LEU A 85 61.546 -21.243 -13.692 1.00 14.13 H new ATOM 0 HD12 LEU A 85 62.544 -19.801 -13.997 1.00 14.13 H new ATOM 0 HD13 LEU A 85 63.268 -21.241 -13.243 1.00 14.13 H new ATOM 0 HD21 LEU A 85 60.850 -21.819 -11.406 1.00 34.22 H new ATOM 0 HD22 LEU A 85 62.525 -21.839 -10.805 1.00 34.22 H new ATOM 0 HD23 LEU A 85 61.315 -20.789 -10.030 1.00 34.22 H new ATOM 1335 N PHE A 86 62.350 -16.341 -10.826 1.00 13.22 N ATOM 1336 CA PHE A 86 61.389 -15.292 -10.518 1.00 14.21 C ATOM 1337 C PHE A 86 61.605 -14.091 -11.415 1.00 25.43 C ATOM 1338 O PHE A 86 60.737 -13.230 -11.561 1.00 74.23 O ATOM 1339 CB PHE A 86 61.483 -14.907 -9.035 1.00 60.11 C ATOM 1340 CG PHE A 86 60.751 -15.852 -8.094 1.00 12.33 C ATOM 1341 CD1 PHE A 86 60.649 -17.208 -8.377 1.00 61.20 C ATOM 1342 CD2 PHE A 86 60.143 -15.377 -6.946 1.00 60.04 C ATOM 1343 CE1 PHE A 86 59.969 -18.063 -7.540 1.00 21.42 C ATOM 1344 CE2 PHE A 86 59.454 -16.230 -6.104 1.00 63.23 C ATOM 1345 CZ PHE A 86 59.370 -17.577 -6.406 1.00 2.54 C ATOM 0 H PHE A 86 63.017 -16.518 -10.075 1.00 13.22 H new ATOM 0 HA PHE A 86 60.383 -15.668 -10.707 1.00 14.21 H new ATOM 0 HB2 PHE A 86 62.534 -14.869 -8.748 1.00 60.11 H new ATOM 0 HB3 PHE A 86 61.081 -13.902 -8.907 1.00 60.11 H new ATOM 0 HD1 PHE A 86 61.112 -17.599 -9.271 1.00 61.20 H new ATOM 0 HD2 PHE A 86 60.207 -14.326 -6.704 1.00 60.04 H new ATOM 0 HE1 PHE A 86 59.907 -19.115 -7.776 1.00 21.42 H new ATOM 0 HE2 PHE A 86 58.982 -15.845 -5.212 1.00 63.23 H new ATOM 0 HZ PHE A 86 58.833 -18.246 -5.749 1.00 2.54 H new ATOM 1355 N GLY A 87 62.753 -14.064 -12.017 1.00 24.41 N ATOM 1356 CA GLY A 87 63.114 -13.028 -12.942 1.00 31.24 C ATOM 1357 C GLY A 87 63.941 -12.002 -12.261 1.00 3.13 C ATOM 1358 O GLY A 87 64.041 -10.854 -12.714 1.00 20.13 O ATOM 0 H GLY A 87 63.477 -14.769 -11.880 1.00 24.41 H new ATOM 0 HA2 GLY A 87 63.666 -13.454 -13.780 1.00 31.24 H new ATOM 0 HA3 GLY A 87 62.216 -12.568 -13.353 1.00 31.24 H new ATOM 1362 N VAL A 88 64.536 -12.393 -11.164 1.00 0.24 N ATOM 1363 CA VAL A 88 65.244 -11.422 -10.338 1.00 65.43 C ATOM 1364 C VAL A 88 66.649 -11.842 -9.901 1.00 62.04 C ATOM 1365 O VAL A 88 67.022 -13.015 -9.967 1.00 2.43 O ATOM 1366 CB VAL A 88 64.416 -11.003 -9.085 1.00 34.42 C ATOM 1367 CG1 VAL A 88 63.156 -10.270 -9.472 1.00 53.13 C ATOM 1368 CG2 VAL A 88 64.085 -12.186 -8.193 1.00 52.45 C ATOM 0 H VAL A 88 64.551 -13.353 -10.819 1.00 0.24 H new ATOM 0 HA VAL A 88 65.369 -10.568 -11.003 1.00 65.43 H new ATOM 0 HB VAL A 88 65.048 -10.323 -8.513 1.00 34.42 H new ATOM 0 HG11 VAL A 88 62.605 -9.994 -8.573 1.00 53.13 H new ATOM 0 HG12 VAL A 88 63.415 -9.370 -10.029 1.00 53.13 H new ATOM 0 HG13 VAL A 88 62.536 -10.916 -10.094 1.00 53.13 H new ATOM 0 HG21 VAL A 88 63.508 -11.844 -7.334 1.00 52.45 H new ATOM 0 HG22 VAL A 88 63.501 -12.914 -8.756 1.00 52.45 H new ATOM 0 HG23 VAL A 88 65.008 -12.651 -7.848 1.00 52.45 H new ATOM 1378 N PRO A 89 67.494 -10.858 -9.541 1.00 11.32 N ATOM 1379 CA PRO A 89 68.786 -11.123 -8.913 1.00 74.43 C ATOM 1380 C PRO A 89 68.584 -11.444 -7.431 1.00 61.01 C ATOM 1381 O PRO A 89 69.261 -12.302 -6.857 1.00 1.24 O ATOM 1382 CB PRO A 89 69.549 -9.790 -9.062 1.00 25.13 C ATOM 1383 CG PRO A 89 68.717 -8.947 -9.976 1.00 40.51 C ATOM 1384 CD PRO A 89 67.312 -9.415 -9.794 1.00 22.11 C ATOM 0 HA PRO A 89 69.313 -11.966 -9.359 1.00 74.43 H new ATOM 0 HB2 PRO A 89 69.682 -9.305 -8.095 1.00 25.13 H new ATOM 0 HB3 PRO A 89 70.544 -9.953 -9.477 1.00 25.13 H new ATOM 0 HG2 PRO A 89 68.812 -7.890 -9.728 1.00 40.51 H new ATOM 0 HG3 PRO A 89 69.036 -9.061 -11.012 1.00 40.51 H new ATOM 0 HD2 PRO A 89 66.821 -8.914 -8.960 1.00 22.11 H new ATOM 0 HD3 PRO A 89 66.704 -9.230 -10.679 1.00 22.11 H new ATOM 1392 N SER A 90 67.617 -10.749 -6.856 1.00 72.45 N ATOM 1393 CA SER A 90 67.231 -10.836 -5.478 1.00 0.12 C ATOM 1394 C SER A 90 65.845 -10.198 -5.366 1.00 72.25 C ATOM 1395 O SER A 90 65.366 -9.619 -6.361 1.00 42.34 O ATOM 1396 CB SER A 90 68.250 -10.070 -4.641 1.00 14.22 C ATOM 1397 OG SER A 90 68.439 -8.765 -5.148 1.00 32.43 O ATOM 0 H SER A 90 67.056 -10.075 -7.376 1.00 72.45 H new ATOM 0 HA SER A 90 67.198 -11.866 -5.122 1.00 0.12 H new ATOM 0 HB2 SER A 90 67.911 -10.017 -3.606 1.00 14.22 H new ATOM 0 HB3 SER A 90 69.200 -10.605 -4.638 1.00 14.22 H new ATOM 0 HG SER A 90 69.095 -8.291 -4.595 1.00 32.43 H new ATOM 1403 N PHE A 91 65.199 -10.261 -4.211 1.00 22.52 N ATOM 1404 CA PHE A 91 63.890 -9.686 -4.080 1.00 23.10 C ATOM 1405 C PHE A 91 63.643 -9.111 -2.682 1.00 42.12 C ATOM 1406 O PHE A 91 64.191 -9.587 -1.680 1.00 74.32 O ATOM 1407 CB PHE A 91 62.775 -10.670 -4.510 1.00 64.21 C ATOM 1408 CG PHE A 91 62.481 -11.860 -3.606 1.00 51.33 C ATOM 1409 CD1 PHE A 91 63.140 -13.087 -3.742 1.00 4.31 C ATOM 1410 CD2 PHE A 91 61.479 -11.766 -2.661 1.00 11.25 C ATOM 1411 CE1 PHE A 91 62.792 -14.156 -2.954 1.00 61.22 C ATOM 1412 CE2 PHE A 91 61.149 -12.830 -1.874 1.00 2.33 C ATOM 1413 CZ PHE A 91 61.799 -14.025 -2.021 1.00 72.40 C ATOM 0 H PHE A 91 65.564 -10.701 -3.366 1.00 22.52 H new ATOM 0 HA PHE A 91 63.852 -8.845 -4.772 1.00 23.10 H new ATOM 0 HB2 PHE A 91 61.852 -10.100 -4.622 1.00 64.21 H new ATOM 0 HB3 PHE A 91 63.033 -11.056 -5.496 1.00 64.21 H new ATOM 0 HD1 PHE A 91 63.928 -13.194 -4.472 1.00 4.31 H new ATOM 0 HD2 PHE A 91 60.947 -10.834 -2.543 1.00 11.25 H new ATOM 0 HE1 PHE A 91 63.302 -15.101 -3.070 1.00 61.22 H new ATOM 0 HE2 PHE A 91 60.371 -12.729 -1.132 1.00 2.33 H new ATOM 0 HZ PHE A 91 61.528 -14.866 -1.400 1.00 72.40 H new ATOM 1423 N SER A 92 62.844 -8.072 -2.639 1.00 13.21 N ATOM 1424 CA SER A 92 62.490 -7.395 -1.418 1.00 63.42 C ATOM 1425 C SER A 92 61.078 -7.836 -0.981 1.00 12.35 C ATOM 1426 O SER A 92 60.107 -7.619 -1.707 1.00 65.40 O ATOM 1427 CB SER A 92 62.543 -5.893 -1.686 1.00 64.34 C ATOM 1428 OG SER A 92 63.822 -5.523 -2.194 1.00 72.34 O ATOM 0 H SER A 92 62.414 -7.666 -3.470 1.00 13.21 H new ATOM 0 HA SER A 92 63.181 -7.643 -0.612 1.00 63.42 H new ATOM 0 HB2 SER A 92 61.767 -5.617 -2.400 1.00 64.34 H new ATOM 0 HB3 SER A 92 62.338 -5.346 -0.766 1.00 64.34 H new ATOM 0 HG SER A 92 63.840 -4.558 -2.363 1.00 72.34 H new ATOM 1434 N VAL A 93 60.980 -8.443 0.199 1.00 15.21 N ATOM 1435 CA VAL A 93 59.724 -9.029 0.697 1.00 44.32 C ATOM 1436 C VAL A 93 58.576 -8.020 0.912 1.00 70.53 C ATOM 1437 O VAL A 93 57.403 -8.404 0.897 1.00 62.34 O ATOM 1438 CB VAL A 93 59.947 -9.799 2.010 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.981 -10.879 1.827 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.347 -8.866 3.130 1.00 71.25 C ATOM 0 H VAL A 93 61.765 -8.546 0.842 1.00 15.21 H new ATOM 0 HA VAL A 93 59.414 -9.702 -0.102 1.00 44.32 H new ATOM 0 HB VAL A 93 59.002 -10.269 2.284 1.00 54.24 H new ATOM 0 HG11 VAL A 93 61.123 -11.410 2.768 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.645 -11.579 1.062 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.925 -10.430 1.518 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.497 -9.439 4.045 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.273 -8.356 2.865 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.559 -8.129 3.289 1.00 71.25 H new ATOM 1450 N LYS A 94 58.902 -6.760 1.131 1.00 25.30 N ATOM 1451 CA LYS A 94 57.881 -5.754 1.415 1.00 34.12 C ATOM 1452 C LYS A 94 57.171 -5.294 0.158 1.00 43.13 C ATOM 1453 O LYS A 94 56.101 -4.672 0.220 1.00 62.22 O ATOM 1454 CB LYS A 94 58.501 -4.573 2.132 1.00 44.32 C ATOM 1455 CG LYS A 94 59.158 -4.935 3.445 1.00 11.41 C ATOM 1456 CD LYS A 94 58.145 -5.302 4.501 1.00 61.24 C ATOM 1457 CE LYS A 94 58.842 -5.789 5.751 1.00 64.21 C ATOM 1458 NZ LYS A 94 57.925 -5.914 6.906 1.00 40.32 N ATOM 0 H LYS A 94 59.858 -6.405 1.119 1.00 25.30 H new ATOM 0 HA LYS A 94 57.133 -6.216 2.059 1.00 34.12 H new ATOM 0 HB2 LYS A 94 59.243 -4.112 1.480 1.00 44.32 H new ATOM 0 HB3 LYS A 94 57.730 -3.825 2.316 1.00 44.32 H new ATOM 0 HG2 LYS A 94 59.840 -5.771 3.291 1.00 11.41 H new ATOM 0 HG3 LYS A 94 59.758 -4.095 3.794 1.00 11.41 H new ATOM 0 HD2 LYS A 94 57.525 -4.437 4.736 1.00 61.24 H new ATOM 0 HD3 LYS A 94 57.479 -6.078 4.122 1.00 61.24 H new ATOM 0 HE2 LYS A 94 59.302 -6.757 5.552 1.00 64.21 H new ATOM 0 HE3 LYS A 94 59.647 -5.100 6.005 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 58.464 -6.202 7.748 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 57.466 -4.998 7.086 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 57.200 -6.630 6.698 1.00 40.32 H new ATOM 1472 N GLU A 95 57.731 -5.600 -0.980 1.00 41.22 N ATOM 1473 CA GLU A 95 57.124 -5.192 -2.216 1.00 25.25 C ATOM 1474 C GLU A 95 56.142 -6.252 -2.639 1.00 44.21 C ATOM 1475 O GLU A 95 56.432 -7.131 -3.444 1.00 11.24 O ATOM 1476 CB GLU A 95 58.134 -4.957 -3.284 1.00 62.12 C ATOM 1477 CG GLU A 95 59.317 -4.085 -2.855 1.00 1.24 C ATOM 1478 CD GLU A 95 58.910 -2.736 -2.296 1.00 20.02 C ATOM 1479 OE1 GLU A 95 58.647 -1.806 -3.083 1.00 35.23 O ATOM 1480 OE2 GLU A 95 58.867 -2.577 -1.055 1.00 30.24 O ATOM 0 H GLU A 95 58.599 -6.126 -1.077 1.00 41.22 H new ATOM 0 HA GLU A 95 56.611 -4.243 -2.059 1.00 25.25 H new ATOM 0 HB2 GLU A 95 58.513 -5.920 -3.627 1.00 62.12 H new ATOM 0 HB3 GLU A 95 57.642 -4.487 -4.136 1.00 62.12 H new ATOM 0 HG2 GLU A 95 59.897 -4.620 -2.103 1.00 1.24 H new ATOM 0 HG3 GLU A 95 59.972 -3.930 -3.712 1.00 1.24 H new ATOM 1487 N HIS A 96 54.997 -6.134 -2.086 1.00 61.03 N ATOM 1488 CA HIS A 96 53.938 -7.154 -2.128 1.00 22.11 C ATOM 1489 C HIS A 96 53.420 -7.409 -3.513 1.00 24.20 C ATOM 1490 O HIS A 96 53.178 -8.555 -3.885 1.00 4.12 O ATOM 1491 CB HIS A 96 52.791 -6.805 -1.181 1.00 0.11 C ATOM 1492 CG HIS A 96 53.227 -6.640 0.239 1.00 4.44 C ATOM 1493 ND1 HIS A 96 52.687 -5.718 1.093 1.00 0.33 N ATOM 1494 CD2 HIS A 96 54.173 -7.291 0.949 1.00 64.43 C ATOM 1495 CE1 HIS A 96 53.274 -5.803 2.262 1.00 53.21 C ATOM 1496 NE2 HIS A 96 54.182 -6.752 2.205 1.00 71.43 N ATOM 0 H HIS A 96 54.727 -5.302 -1.561 1.00 61.03 H new ATOM 0 HA HIS A 96 54.401 -8.081 -1.790 1.00 22.11 H new ATOM 0 HB2 HIS A 96 52.318 -5.883 -1.518 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.035 -7.588 -1.233 1.00 0.11 H new ATOM 0 HD2 HIS A 96 54.806 -8.090 0.591 1.00 64.43 H new ATOM 0 HE1 HIS A 96 53.049 -5.196 3.126 1.00 53.21 H new ATOM 0 HE2 HIS A 96 54.792 -7.038 2.971 1.00 71.43 H new ATOM 1504 N ARG A 97 53.285 -6.359 -4.288 1.00 61.45 N ATOM 1505 CA ARG A 97 52.809 -6.483 -5.660 1.00 2.00 C ATOM 1506 C ARG A 97 53.824 -7.252 -6.496 1.00 60.51 C ATOM 1507 O ARG A 97 53.468 -8.006 -7.404 1.00 63.44 O ATOM 1508 CB ARG A 97 52.557 -5.110 -6.263 1.00 25.22 C ATOM 1509 CG ARG A 97 51.485 -4.317 -5.546 1.00 31.52 C ATOM 1510 CD ARG A 97 51.335 -2.949 -6.161 1.00 61.22 C ATOM 1511 NE ARG A 97 50.279 -2.163 -5.525 1.00 52.14 N ATOM 1512 CZ ARG A 97 49.836 -0.990 -5.982 1.00 35.43 C ATOM 1513 NH1 ARG A 97 50.404 -0.433 -7.047 1.00 32.04 N ATOM 1514 NH2 ARG A 97 48.837 -0.373 -5.372 1.00 50.15 N ATOM 0 H ARG A 97 53.497 -5.404 -3.998 1.00 61.45 H new ATOM 0 HA ARG A 97 51.868 -7.033 -5.655 1.00 2.00 H new ATOM 0 HB2 ARG A 97 53.487 -4.541 -6.250 1.00 25.22 H new ATOM 0 HB3 ARG A 97 52.271 -5.229 -7.308 1.00 25.22 H new ATOM 0 HG2 ARG A 97 50.536 -4.850 -5.597 1.00 31.52 H new ATOM 0 HG3 ARG A 97 51.741 -4.221 -4.491 1.00 31.52 H new ATOM 0 HD2 ARG A 97 52.281 -2.413 -6.082 1.00 61.22 H new ATOM 0 HD3 ARG A 97 51.116 -3.054 -7.224 1.00 61.22 H new ATOM 0 HE ARG A 97 49.853 -2.536 -4.676 1.00 52.14 H new ATOM 0 HH11 ARG A 97 51.179 -0.902 -7.516 1.00 32.04 H new ATOM 0 HH12 ARG A 97 50.065 0.464 -7.396 1.00 32.04 H new ATOM 0 HH21 ARG A 97 48.403 -0.794 -4.550 1.00 50.15 H new ATOM 0 HH22 ARG A 97 48.501 0.523 -5.724 1.00 50.15 H new ATOM 1528 N LYS A 98 55.088 -7.091 -6.156 1.00 3.30 N ATOM 1529 CA LYS A 98 56.146 -7.791 -6.839 1.00 1.24 C ATOM 1530 C LYS A 98 56.234 -9.216 -6.371 1.00 33.20 C ATOM 1531 O LYS A 98 56.511 -10.101 -7.162 1.00 63.32 O ATOM 1532 CB LYS A 98 57.486 -7.056 -6.733 1.00 62.12 C ATOM 1533 CG LYS A 98 57.742 -6.075 -7.880 1.00 4.31 C ATOM 1534 CD LYS A 98 56.630 -5.045 -8.055 1.00 4.22 C ATOM 1535 CE LYS A 98 56.856 -4.178 -9.289 1.00 21.35 C ATOM 1536 NZ LYS A 98 56.867 -4.971 -10.547 1.00 63.10 N ATOM 0 H LYS A 98 55.403 -6.477 -5.405 1.00 3.30 H new ATOM 0 HA LYS A 98 55.899 -7.812 -7.900 1.00 1.24 H new ATOM 0 HB2 LYS A 98 57.519 -6.513 -5.788 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.292 -7.790 -6.707 1.00 62.12 H new ATOM 0 HG2 LYS A 98 58.683 -5.556 -7.701 1.00 4.31 H new ATOM 0 HG3 LYS A 98 57.858 -6.635 -8.808 1.00 4.31 H new ATOM 0 HD2 LYS A 98 55.671 -5.555 -8.139 1.00 4.22 H new ATOM 0 HD3 LYS A 98 56.577 -4.412 -7.169 1.00 4.22 H new ATOM 0 HE2 LYS A 98 56.073 -3.422 -9.347 1.00 21.35 H new ATOM 0 HE3 LYS A 98 57.803 -3.648 -9.189 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 56.734 -4.335 -11.359 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 57.778 -5.464 -10.639 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 56.096 -5.669 -10.524 1.00 63.10 H new ATOM 1550 N ILE A 99 55.953 -9.435 -5.091 1.00 54.20 N ATOM 1551 CA ILE A 99 55.898 -10.785 -4.535 1.00 3.41 C ATOM 1552 C ILE A 99 54.887 -11.588 -5.325 1.00 32.52 C ATOM 1553 O ILE A 99 55.204 -12.644 -5.873 1.00 34.24 O ATOM 1554 CB ILE A 99 55.488 -10.790 -3.028 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.433 -9.917 -2.185 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.420 -12.207 -2.472 1.00 53.21 C ATOM 1557 CD1 ILE A 99 57.905 -10.183 -2.405 1.00 13.25 C ATOM 0 H ILE A 99 55.759 -8.695 -4.417 1.00 54.20 H new ATOM 0 HA ILE A 99 56.895 -11.221 -4.605 1.00 3.41 H new ATOM 0 HB ILE A 99 54.489 -10.359 -2.966 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.230 -8.869 -2.405 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.204 -10.071 -1.131 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.132 -12.172 -1.421 1.00 53.21 H new ATOM 0 HG22 ILE A 99 54.683 -12.782 -3.032 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.397 -12.682 -2.565 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.493 -9.522 -1.769 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.129 -11.220 -2.155 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.156 -9.999 -3.450 1.00 13.25 H new ATOM 1569 N TYR A 100 53.692 -11.029 -5.431 1.00 43.11 N ATOM 1570 CA TYR A 100 52.601 -11.618 -6.188 1.00 15.13 C ATOM 1571 C TYR A 100 52.998 -11.941 -7.606 1.00 34.44 C ATOM 1572 O TYR A 100 52.887 -13.073 -8.035 1.00 3.54 O ATOM 1573 CB TYR A 100 51.383 -10.692 -6.191 1.00 21.14 C ATOM 1574 CG TYR A 100 50.596 -10.706 -4.901 1.00 60.15 C ATOM 1575 CD1 TYR A 100 51.181 -11.101 -3.704 1.00 74.45 C ATOM 1576 CD2 TYR A 100 49.256 -10.376 -4.892 1.00 64.34 C ATOM 1577 CE1 TYR A 100 50.458 -11.156 -2.544 1.00 71.11 C ATOM 1578 CE2 TYR A 100 48.517 -10.439 -3.733 1.00 62.13 C ATOM 1579 CZ TYR A 100 49.124 -10.828 -2.561 1.00 51.34 C ATOM 1580 OH TYR A 100 48.392 -10.909 -1.411 1.00 40.22 O ATOM 0 H TYR A 100 53.450 -10.143 -4.988 1.00 43.11 H new ATOM 0 HA TYR A 100 52.344 -12.554 -5.693 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.715 -9.673 -6.391 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.723 -10.979 -7.010 1.00 21.14 H new ATOM 0 HD1 TYR A 100 52.227 -11.370 -3.689 1.00 74.45 H new ATOM 0 HD2 TYR A 100 48.780 -10.063 -5.809 1.00 64.34 H new ATOM 0 HE1 TYR A 100 50.933 -11.455 -1.621 1.00 71.11 H new ATOM 0 HE2 TYR A 100 47.467 -10.185 -3.743 1.00 62.13 H new ATOM 0 HH TYR A 100 48.886 -11.432 -0.745 1.00 40.22 H new ATOM 1590 N THR A 101 53.521 -10.969 -8.289 1.00 71.31 N ATOM 1591 CA THR A 101 53.860 -11.115 -9.690 1.00 4.12 C ATOM 1592 C THR A 101 55.030 -12.076 -9.957 1.00 22.22 C ATOM 1593 O THR A 101 55.078 -12.729 -11.006 1.00 14.53 O ATOM 1594 CB THR A 101 54.063 -9.756 -10.384 1.00 52.21 C ATOM 1595 OG1 THR A 101 54.869 -8.899 -9.562 1.00 1.34 O ATOM 1596 CG2 THR A 101 52.724 -9.101 -10.660 1.00 55.24 C ATOM 0 H THR A 101 53.729 -10.049 -7.900 1.00 71.31 H new ATOM 0 HA THR A 101 52.989 -11.589 -10.143 1.00 4.12 H new ATOM 0 HB THR A 101 54.574 -9.921 -11.332 1.00 52.21 H new ATOM 0 HG1 THR A 101 54.307 -8.478 -8.879 1.00 1.34 H new ATOM 0 HG21 THR A 101 52.883 -8.141 -11.151 1.00 55.24 H new ATOM 0 HG22 THR A 101 52.130 -9.746 -11.308 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.195 -8.945 -9.720 1.00 55.24 H new ATOM 1604 N MET A 102 55.950 -12.193 -9.015 1.00 34.35 N ATOM 1605 CA MET A 102 57.069 -13.126 -9.167 1.00 63.42 C ATOM 1606 C MET A 102 56.588 -14.554 -9.030 1.00 13.22 C ATOM 1607 O MET A 102 57.092 -15.467 -9.695 1.00 73.13 O ATOM 1608 CB MET A 102 58.193 -12.846 -8.171 1.00 43.15 C ATOM 1609 CG MET A 102 58.922 -11.525 -8.386 1.00 11.42 C ATOM 1610 SD MET A 102 60.249 -11.246 -7.184 1.00 45.04 S ATOM 1611 CE MET A 102 59.333 -11.343 -5.645 1.00 54.24 C ATOM 0 H MET A 102 55.951 -11.663 -8.144 1.00 34.35 H new ATOM 0 HA MET A 102 57.478 -12.980 -10.167 1.00 63.42 H new ATOM 0 HB2 MET A 102 57.778 -12.856 -7.163 1.00 43.15 H new ATOM 0 HB3 MET A 102 58.918 -13.658 -8.225 1.00 43.15 H new ATOM 0 HG2 MET A 102 59.341 -11.507 -9.392 1.00 11.42 H new ATOM 0 HG3 MET A 102 58.205 -10.706 -8.324 1.00 11.42 H new ATOM 0 HE1 MET A 102 59.721 -10.605 -4.943 1.00 54.24 H new ATOM 0 HE2 MET A 102 58.279 -11.143 -5.836 1.00 54.24 H new ATOM 0 HE3 MET A 102 59.442 -12.340 -5.219 1.00 54.24 H new ATOM 1621 N ILE A 103 55.574 -14.729 -8.215 1.00 3.21 N ATOM 1622 CA ILE A 103 54.985 -16.032 -7.975 1.00 52.20 C ATOM 1623 C ILE A 103 54.033 -16.348 -9.110 1.00 5.52 C ATOM 1624 O ILE A 103 54.011 -17.442 -9.633 1.00 70.30 O ATOM 1625 CB ILE A 103 54.223 -16.046 -6.630 1.00 14.12 C ATOM 1626 CG1 ILE A 103 55.193 -15.729 -5.489 1.00 12.42 C ATOM 1627 CG2 ILE A 103 53.551 -17.401 -6.410 1.00 5.55 C ATOM 1628 CD1 ILE A 103 54.536 -15.511 -4.141 1.00 2.12 C ATOM 0 H ILE A 103 55.131 -13.971 -7.696 1.00 3.21 H new ATOM 0 HA ILE A 103 55.774 -16.783 -7.926 1.00 52.20 H new ATOM 0 HB ILE A 103 53.443 -15.285 -6.652 1.00 14.12 H new ATOM 0 HG12 ILE A 103 55.909 -16.546 -5.401 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.760 -14.836 -5.750 1.00 12.42 H new ATOM 0 HG21 ILE A 103 53.019 -17.393 -5.459 1.00 5.55 H new ATOM 0 HG22 ILE A 103 52.846 -17.593 -7.218 1.00 5.55 H new ATOM 0 HG23 ILE A 103 54.308 -18.185 -6.396 1.00 5.55 H new ATOM 0 HD11 ILE A 103 55.300 -15.292 -3.395 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.842 -14.673 -4.206 1.00 2.12 H new ATOM 0 HD13 ILE A 103 53.993 -16.410 -3.851 1.00 2.12 H new ATOM 1640 N TYR A 104 53.298 -15.342 -9.509 1.00 40.11 N ATOM 1641 CA TYR A 104 52.354 -15.412 -10.591 1.00 44.15 C ATOM 1642 C TYR A 104 53.031 -15.774 -11.925 1.00 13.14 C ATOM 1643 O TYR A 104 52.459 -16.487 -12.741 1.00 40.12 O ATOM 1644 CB TYR A 104 51.561 -14.105 -10.597 1.00 10.23 C ATOM 1645 CG TYR A 104 51.140 -13.565 -11.907 1.00 54.34 C ATOM 1646 CD1 TYR A 104 51.997 -12.752 -12.602 1.00 23.41 C ATOM 1647 CD2 TYR A 104 49.889 -13.822 -12.427 1.00 54.33 C ATOM 1648 CE1 TYR A 104 51.634 -12.201 -13.806 1.00 54.14 C ATOM 1649 CE2 TYR A 104 49.500 -13.274 -13.626 1.00 5.31 C ATOM 1650 CZ TYR A 104 50.377 -12.463 -14.314 1.00 60.51 C ATOM 1651 OH TYR A 104 49.986 -11.896 -15.505 1.00 1.15 O ATOM 0 H TYR A 104 53.343 -14.421 -9.074 1.00 40.11 H new ATOM 0 HA TYR A 104 51.647 -16.229 -10.447 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.667 -14.252 -9.991 1.00 10.23 H new ATOM 0 HB3 TYR A 104 52.162 -13.345 -10.098 1.00 10.23 H new ATOM 0 HD1 TYR A 104 52.975 -12.541 -12.195 1.00 23.41 H new ATOM 0 HD2 TYR A 104 49.207 -14.461 -11.886 1.00 54.33 H new ATOM 0 HE1 TYR A 104 52.323 -11.571 -14.349 1.00 54.14 H new ATOM 0 HE2 TYR A 104 48.517 -13.477 -14.025 1.00 5.31 H new ATOM 0 HH TYR A 104 49.074 -12.184 -15.720 1.00 1.15 H new ATOM 1661 N ARG A 105 54.253 -15.305 -12.116 1.00 53.53 N ATOM 1662 CA ARG A 105 55.062 -15.688 -13.287 1.00 5.51 C ATOM 1663 C ARG A 105 55.478 -17.164 -13.189 1.00 13.24 C ATOM 1664 O ARG A 105 55.677 -17.853 -14.197 1.00 2.23 O ATOM 1665 CB ARG A 105 56.320 -14.805 -13.382 1.00 24.32 C ATOM 1666 CG ARG A 105 57.330 -15.266 -14.434 1.00 13.52 C ATOM 1667 CD ARG A 105 58.565 -14.394 -14.451 1.00 62.13 C ATOM 1668 NE ARG A 105 59.603 -14.929 -15.350 1.00 23.52 N ATOM 1669 CZ ARG A 105 60.553 -14.187 -15.954 1.00 63.44 C ATOM 1670 NH1 ARG A 105 60.500 -12.851 -15.898 1.00 4.40 N ATOM 1671 NH2 ARG A 105 61.528 -14.787 -16.644 1.00 43.11 N ATOM 0 H ARG A 105 54.717 -14.656 -11.480 1.00 53.53 H new ATOM 0 HA ARG A 105 54.457 -15.545 -14.182 1.00 5.51 H new ATOM 0 HB2 ARG A 105 56.017 -13.783 -13.609 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.810 -14.784 -12.409 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.617 -16.298 -14.234 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.861 -15.251 -15.418 1.00 13.52 H new ATOM 0 HD2 ARG A 105 58.294 -13.387 -14.768 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.966 -14.313 -13.441 1.00 62.13 H new ATOM 0 HE ARG A 105 59.603 -15.933 -15.528 1.00 23.52 H new ATOM 0 HH11 ARG A 105 59.739 -12.391 -15.397 1.00 4.40 H new ATOM 0 HH12 ARG A 105 61.220 -12.292 -16.356 1.00 4.40 H new ATOM 0 HH21 ARG A 105 61.552 -15.804 -16.713 1.00 43.11 H new ATOM 0 HH22 ARG A 105 62.248 -14.227 -17.102 1.00 43.11 H new ATOM 1685 N ASN A 106 55.572 -17.646 -11.980 1.00 14.40 N ATOM 1686 CA ASN A 106 56.049 -18.996 -11.741 1.00 75.13 C ATOM 1687 C ASN A 106 54.955 -19.984 -11.468 1.00 64.35 C ATOM 1688 O ASN A 106 55.208 -21.159 -11.168 1.00 43.10 O ATOM 1689 CB ASN A 106 57.127 -19.049 -10.683 1.00 32.11 C ATOM 1690 CG ASN A 106 58.449 -18.611 -11.229 1.00 41.53 C ATOM 1691 OD1 ASN A 106 59.153 -19.398 -11.812 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.811 -17.379 -11.041 1.00 61.11 N ATOM 0 H ASN A 106 55.325 -17.128 -11.137 1.00 14.40 H new ATOM 0 HA ASN A 106 56.502 -19.306 -12.683 1.00 75.13 H new ATOM 0 HB2 ASN A 106 56.848 -18.410 -9.845 1.00 32.11 H new ATOM 0 HB3 ASN A 106 57.210 -20.065 -10.296 1.00 32.11 H new ATOM 0 HD21 ASN A 106 59.712 -17.053 -11.390 1.00 61.11 H new ATOM 0 HD22 ASN A 106 58.194 -16.736 -10.544 1.00 61.11 H new ATOM 1699 N LEU A 107 53.757 -19.537 -11.564 1.00 34.24 N ATOM 1700 CA LEU A 107 52.650 -20.422 -11.483 1.00 22.31 C ATOM 1701 C LEU A 107 52.098 -20.574 -12.876 1.00 22.33 C ATOM 1702 O LEU A 107 52.433 -19.782 -13.769 1.00 3.21 O ATOM 1703 CB LEU A 107 51.591 -19.957 -10.441 1.00 10.31 C ATOM 1704 CG LEU A 107 50.779 -18.698 -10.741 1.00 32.14 C ATOM 1705 CD1 LEU A 107 49.546 -18.987 -11.582 1.00 53.04 C ATOM 1706 CD2 LEU A 107 50.430 -17.951 -9.469 1.00 33.10 C ATOM 0 H LEU A 107 53.515 -18.556 -11.700 1.00 34.24 H new ATOM 0 HA LEU A 107 52.967 -21.397 -11.112 1.00 22.31 H new ATOM 0 HB2 LEU A 107 50.889 -20.777 -10.293 1.00 10.31 H new ATOM 0 HB3 LEU A 107 52.105 -19.802 -9.492 1.00 10.31 H new ATOM 0 HG LEU A 107 51.415 -18.048 -11.342 1.00 32.14 H new ATOM 0 HD11 LEU A 107 49.005 -18.059 -11.766 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.849 -19.425 -12.533 1.00 53.04 H new ATOM 0 HD13 LEU A 107 48.899 -19.685 -11.051 1.00 53.04 H new ATOM 0 HD21 LEU A 107 49.852 -17.060 -9.717 1.00 33.10 H new ATOM 0 HD22 LEU A 107 49.840 -18.597 -8.818 1.00 33.10 H new ATOM 0 HD23 LEU A 107 51.346 -17.658 -8.956 1.00 33.10 H new ATOM 1718 N VAL A 108 51.288 -21.553 -13.091 1.00 63.11 N ATOM 1719 CA VAL A 108 50.780 -21.778 -14.395 1.00 1.01 C ATOM 1720 C VAL A 108 49.397 -21.197 -14.473 1.00 71.42 C ATOM 1721 O VAL A 108 48.456 -21.692 -13.823 1.00 31.43 O ATOM 1722 CB VAL A 108 50.767 -23.278 -14.781 1.00 35.03 C ATOM 1723 CG1 VAL A 108 50.460 -23.441 -16.261 1.00 45.42 C ATOM 1724 CG2 VAL A 108 52.094 -23.950 -14.426 1.00 72.10 C ATOM 0 H VAL A 108 50.965 -22.209 -12.380 1.00 63.11 H new ATOM 0 HA VAL A 108 51.440 -21.289 -15.111 1.00 1.01 H new ATOM 0 HB VAL A 108 49.981 -23.770 -14.207 1.00 35.03 H new ATOM 0 HG11 VAL A 108 50.454 -24.501 -16.517 1.00 45.42 H new ATOM 0 HG12 VAL A 108 49.483 -23.010 -16.480 1.00 45.42 H new ATOM 0 HG13 VAL A 108 51.222 -22.930 -16.849 1.00 45.42 H new ATOM 0 HG21 VAL A 108 52.056 -25.002 -14.708 1.00 72.10 H new ATOM 0 HG22 VAL A 108 52.906 -23.459 -14.963 1.00 72.10 H new ATOM 0 HG23 VAL A 108 52.268 -23.868 -13.353 1.00 72.10 H new ATOM 1734 N VAL A 109 49.289 -20.133 -15.211 1.00 53.02 N ATOM 1735 CA VAL A 109 48.051 -19.446 -15.405 1.00 54.14 C ATOM 1736 C VAL A 109 47.435 -20.052 -16.627 1.00 41.24 C ATOM 1737 O VAL A 109 47.950 -19.807 -17.734 1.00 0.00 O ATOM 1738 CB VAL A 109 48.245 -17.916 -15.650 1.00 42.33 C ATOM 1739 CG1 VAL A 109 46.901 -17.204 -15.722 1.00 54.03 C ATOM 1740 CG2 VAL A 109 49.123 -17.282 -14.587 1.00 33.31 C ATOM 1741 OXT VAL A 109 46.470 -20.815 -16.509 1.00 0.00 O ATOM 0 H VAL A 109 50.076 -19.711 -15.704 1.00 53.02 H new ATOM 0 HA VAL A 109 47.434 -19.546 -14.512 1.00 54.14 H new ATOM 0 HB VAL A 109 48.752 -17.804 -16.609 1.00 42.33 H new ATOM 0 HG11 VAL A 109 47.062 -16.140 -15.893 1.00 54.03 H new ATOM 0 HG12 VAL A 109 46.313 -17.618 -16.541 1.00 54.03 H new ATOM 0 HG13 VAL A 109 46.365 -17.344 -14.783 1.00 54.03 H new ATOM 0 HG21 VAL A 109 49.233 -16.217 -14.794 1.00 33.31 H new ATOM 0 HG22 VAL A 109 48.663 -17.416 -13.608 1.00 33.31 H new ATOM 0 HG23 VAL A 109 50.104 -17.757 -14.595 1.00 33.31 H new TER 1751 VAL A 109 ATOM 1752 N ASP B 301 63.260 0.770 14.769 1.00 70.03 N ATOM 1753 CA ASP B 301 62.979 0.422 13.369 1.00 40.31 C ATOM 1754 C ASP B 301 62.014 -0.747 13.285 1.00 43.41 C ATOM 1755 O ASP B 301 61.721 -1.239 12.199 1.00 3.22 O ATOM 1756 CB ASP B 301 64.269 0.086 12.594 1.00 55.03 C ATOM 1757 CG ASP B 301 64.854 -1.266 12.945 1.00 52.13 C ATOM 1758 OD1 ASP B 301 65.344 -1.457 14.081 1.00 23.31 O ATOM 1759 OD2 ASP B 301 64.831 -2.170 12.090 1.00 11.23 O ATOM 0 HA ASP B 301 62.522 1.298 12.909 1.00 40.31 H new ATOM 0 HB2 ASP B 301 64.058 0.115 11.525 1.00 55.03 H new ATOM 0 HB3 ASP B 301 65.013 0.857 12.793 1.00 55.03 H new ATOM 1766 N GLY B 302 61.507 -1.181 14.422 1.00 32.14 N ATOM 1767 CA GLY B 302 60.586 -2.299 14.460 1.00 10.15 C ATOM 1768 C GLY B 302 61.296 -3.623 14.310 1.00 44.11 C ATOM 1769 O GLY B 302 61.383 -4.401 15.262 1.00 74.13 O ATOM 0 H GLY B 302 61.718 -0.775 15.334 1.00 32.14 H new ATOM 0 HA2 GLY B 302 60.039 -2.286 15.403 1.00 10.15 H new ATOM 0 HA3 GLY B 302 59.850 -2.190 13.663 1.00 10.15 H new ATOM 1773 N GLY B 303 61.818 -3.860 13.130 1.00 50.33 N ATOM 1774 CA GLY B 303 62.544 -5.063 12.839 1.00 63.40 C ATOM 1775 C GLY B 303 61.645 -6.268 12.773 1.00 53.01 C ATOM 1776 O GLY B 303 61.785 -7.197 13.574 1.00 2.33 O ATOM 0 H GLY B 303 61.748 -3.216 12.342 1.00 50.33 H new ATOM 0 HA2 GLY B 303 63.066 -4.949 11.889 1.00 63.40 H new ATOM 0 HA3 GLY B 303 63.304 -5.221 13.604 1.00 63.40 H new ATOM 1780 N THR B 304 60.699 -6.236 11.855 1.00 72.21 N ATOM 1781 CA THR B 304 59.800 -7.341 11.643 1.00 53.02 C ATOM 1782 C THR B 304 60.585 -8.591 11.210 1.00 61.42 C ATOM 1783 O THR B 304 61.448 -8.509 10.335 1.00 41.25 O ATOM 1784 CB THR B 304 58.731 -6.965 10.584 1.00 73.35 C ATOM 1785 OG1 THR B 304 59.374 -6.401 9.405 1.00 53.13 O ATOM 1786 CG2 THR B 304 57.748 -5.957 11.154 1.00 11.42 C ATOM 0 H THR B 304 60.536 -5.441 11.238 1.00 72.21 H new ATOM 0 HA THR B 304 59.290 -7.567 12.579 1.00 53.02 H new ATOM 0 HB THR B 304 58.190 -7.869 10.306 1.00 73.35 H new ATOM 0 HG1 THR B 304 59.171 -5.444 9.348 1.00 53.13 H new ATOM 0 HG21 THR B 304 57.005 -5.705 10.397 1.00 11.42 H new ATOM 0 HG22 THR B 304 57.249 -6.386 12.023 1.00 11.42 H new ATOM 0 HG23 THR B 304 58.283 -5.055 11.452 1.00 11.42 H new ATOM 1794 N THR B 305 60.313 -9.710 11.825 1.00 33.52 N ATOM 1795 CA THR B 305 61.032 -10.923 11.514 1.00 3.31 C ATOM 1796 C THR B 305 60.444 -11.583 10.250 1.00 54.44 C ATOM 1797 O THR B 305 59.210 -11.557 10.036 1.00 34.54 O ATOM 1798 CB THR B 305 61.075 -11.917 12.732 1.00 43.20 C ATOM 1799 OG1 THR B 305 61.951 -13.029 12.455 1.00 13.01 O ATOM 1800 CG2 THR B 305 59.693 -12.450 13.073 1.00 31.13 C ATOM 0 H THR B 305 59.598 -9.811 12.546 1.00 33.52 H new ATOM 0 HA THR B 305 62.068 -10.656 11.307 1.00 3.31 H new ATOM 0 HB THR B 305 61.454 -11.354 13.585 1.00 43.20 H new ATOM 0 HG1 THR B 305 61.965 -13.634 13.226 1.00 13.01 H new ATOM 0 HG21 THR B 305 59.765 -13.133 13.919 1.00 31.13 H new ATOM 0 HG22 THR B 305 59.036 -11.619 13.332 1.00 31.13 H new ATOM 0 HG23 THR B 305 59.285 -12.980 12.213 1.00 31.13 H new ATOM 1808 N PHE B 306 61.334 -12.155 9.423 1.00 23.43 N ATOM 1809 CA PHE B 306 61.000 -12.755 8.116 1.00 31.21 C ATOM 1810 C PHE B 306 59.815 -13.716 8.208 1.00 61.12 C ATOM 1811 O PHE B 306 58.842 -13.579 7.462 1.00 3.43 O ATOM 1812 CB PHE B 306 62.232 -13.473 7.539 1.00 53.41 C ATOM 1813 CG PHE B 306 62.029 -14.061 6.172 1.00 65.10 C ATOM 1814 CD1 PHE B 306 62.035 -13.249 5.050 1.00 73.14 C ATOM 1815 CD2 PHE B 306 61.842 -15.426 6.007 1.00 42.23 C ATOM 1816 CE1 PHE B 306 61.854 -13.783 3.795 1.00 14.34 C ATOM 1817 CE2 PHE B 306 61.661 -15.963 4.755 1.00 4.02 C ATOM 1818 CZ PHE B 306 61.666 -15.141 3.647 1.00 41.22 C ATOM 0 H PHE B 306 62.327 -12.216 9.647 1.00 23.43 H new ATOM 0 HA PHE B 306 60.705 -11.947 7.447 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.061 -12.767 7.497 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.526 -14.269 8.223 1.00 53.41 H new ATOM 0 HD1 PHE B 306 62.183 -12.185 5.161 1.00 73.14 H new ATOM 0 HD2 PHE B 306 61.839 -16.073 6.872 1.00 42.23 H new ATOM 0 HE1 PHE B 306 61.859 -13.140 2.927 1.00 14.34 H new ATOM 0 HE2 PHE B 306 61.515 -17.027 4.639 1.00 4.02 H new ATOM 0 HZ PHE B 306 61.523 -15.562 2.663 1.00 41.22 H new ATOM 1828 N GLU B 307 59.901 -14.639 9.164 1.00 22.24 N ATOM 1829 CA GLU B 307 58.877 -15.660 9.449 1.00 73.43 C ATOM 1830 C GLU B 307 57.471 -15.049 9.515 1.00 33.30 C ATOM 1831 O GLU B 307 56.507 -15.595 8.977 1.00 31.35 O ATOM 1832 CB GLU B 307 59.233 -16.320 10.801 1.00 34.14 C ATOM 1833 CG GLU B 307 58.246 -17.354 11.325 1.00 23.45 C ATOM 1834 CD GLU B 307 58.082 -18.541 10.415 1.00 64.23 C ATOM 1835 OE1 GLU B 307 59.005 -19.383 10.352 1.00 13.13 O ATOM 1836 OE2 GLU B 307 57.013 -18.679 9.789 1.00 53.15 O ATOM 0 H GLU B 307 60.708 -14.705 9.785 1.00 22.24 H new ATOM 0 HA GLU B 307 58.867 -16.397 8.646 1.00 73.43 H new ATOM 0 HB2 GLU B 307 60.209 -16.796 10.703 1.00 34.14 H new ATOM 0 HB3 GLU B 307 59.335 -15.534 11.549 1.00 34.14 H new ATOM 0 HG2 GLU B 307 58.579 -17.700 12.304 1.00 23.45 H new ATOM 0 HG3 GLU B 307 57.276 -16.879 11.468 1.00 23.45 H new ATOM 1843 N HIS B 308 57.380 -13.881 10.103 1.00 4.31 N ATOM 1844 CA HIS B 308 56.099 -13.263 10.313 1.00 63.23 C ATOM 1845 C HIS B 308 55.712 -12.407 9.157 1.00 43.42 C ATOM 1846 O HIS B 308 54.657 -12.605 8.574 1.00 4.03 O ATOM 1847 CB HIS B 308 56.064 -12.442 11.596 1.00 63.24 C ATOM 1848 CG HIS B 308 56.050 -13.260 12.861 1.00 24.31 C ATOM 1849 ND1 HIS B 308 56.176 -12.707 14.115 1.00 22.21 N ATOM 1850 CD2 HIS B 308 55.885 -14.593 13.061 1.00 2.42 C ATOM 1851 CE1 HIS B 308 56.096 -13.646 15.028 1.00 61.43 C ATOM 1852 NE2 HIS B 308 55.918 -14.807 14.420 1.00 65.13 N ATOM 0 H HIS B 308 58.177 -13.343 10.443 1.00 4.31 H new ATOM 0 HA HIS B 308 55.377 -14.074 10.408 1.00 63.23 H new ATOM 0 HB2 HIS B 308 56.932 -11.783 11.614 1.00 63.24 H new ATOM 0 HB3 HIS B 308 55.180 -11.805 11.581 1.00 63.24 H new ATOM 0 HD2 HIS B 308 55.753 -15.344 12.297 1.00 2.42 H new ATOM 0 HE1 HIS B 308 56.164 -13.496 16.095 1.00 61.43 H new ATOM 0 HE2 HIS B 308 55.821 -15.711 14.882 1.00 65.13 H new ATOM 1860 N LEU B 309 56.597 -11.500 8.788 1.00 64.14 N ATOM 1861 CA LEU B 309 56.318 -10.490 7.776 1.00 52.01 C ATOM 1862 C LEU B 309 55.926 -11.081 6.415 1.00 42.30 C ATOM 1863 O LEU B 309 55.058 -10.556 5.719 1.00 13.44 O ATOM 1864 CB LEU B 309 57.497 -9.477 7.683 1.00 30.00 C ATOM 1865 CG LEU B 309 58.927 -10.006 7.350 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.065 -10.507 5.937 1.00 10.42 C ATOM 1867 CD2 LEU B 309 59.968 -8.956 7.614 1.00 12.40 C ATOM 0 H LEU B 309 57.536 -11.440 9.182 1.00 64.14 H new ATOM 0 HA LEU B 309 55.432 -9.943 8.098 1.00 52.01 H new ATOM 0 HB2 LEU B 309 57.236 -8.737 6.926 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.555 -8.951 8.636 1.00 30.00 H new ATOM 0 HG LEU B 309 59.086 -10.857 8.013 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.083 -10.860 5.774 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.366 -11.327 5.772 1.00 10.42 H new ATOM 0 HD13 LEU B 309 58.845 -9.698 5.241 1.00 10.42 H new ATOM 0 HD21 LEU B 309 60.954 -9.353 7.373 1.00 12.40 H new ATOM 0 HD22 LEU B 309 59.768 -8.081 6.995 1.00 12.40 H new ATOM 0 HD23 LEU B 309 59.939 -8.671 8.666 1.00 12.40 H new ATOM 1879 N TRP B 310 56.521 -12.201 6.086 1.00 43.14 N ATOM 1880 CA TRP B 310 56.325 -12.827 4.812 1.00 14.01 C ATOM 1881 C TRP B 310 55.000 -13.574 4.785 1.00 31.23 C ATOM 1882 O TRP B 310 54.293 -13.578 3.790 1.00 14.12 O ATOM 1883 CB TRP B 310 57.522 -13.741 4.518 1.00 43.11 C ATOM 1884 CG TRP B 310 57.396 -14.560 3.291 1.00 74.31 C ATOM 1885 CD1 TRP B 310 57.004 -15.834 3.242 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.664 -14.172 1.945 1.00 15.41 C ATOM 1887 NE1 TRP B 310 56.992 -16.281 1.956 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.395 -15.286 1.136 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.095 -13.002 1.351 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.546 -15.267 -0.239 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.246 -12.975 -0.012 1.00 70.43 C ATOM 1892 CH2 TRP B 310 57.972 -14.102 -0.799 1.00 52.42 C ATOM 0 H TRP B 310 57.159 -12.704 6.703 1.00 43.14 H new ATOM 0 HA TRP B 310 56.272 -12.075 4.025 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.418 -13.126 4.436 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.669 -14.407 5.368 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.734 -16.428 4.102 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.722 -17.219 1.659 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.309 -12.127 1.947 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.335 -16.138 -0.841 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 58.583 -12.066 -0.489 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.101 -14.045 -1.870 1.00 52.42 H new ATOM 1903 N SER B 311 54.638 -14.125 5.903 1.00 14.42 N ATOM 1904 CA SER B 311 53.424 -14.888 6.012 1.00 14.14 C ATOM 1905 C SER B 311 52.220 -13.954 6.277 1.00 41.41 C ATOM 1906 O SER B 311 51.075 -14.389 6.337 1.00 31.14 O ATOM 1907 CB SER B 311 53.598 -15.877 7.159 1.00 42.43 C ATOM 1908 OG SER B 311 54.831 -16.587 7.022 1.00 14.24 O ATOM 0 H SER B 311 55.174 -14.061 6.769 1.00 14.42 H new ATOM 0 HA SER B 311 53.227 -15.421 5.082 1.00 14.14 H new ATOM 0 HB2 SER B 311 53.580 -15.346 8.111 1.00 42.43 H new ATOM 0 HB3 SER B 311 52.765 -16.580 7.171 1.00 42.43 H new ATOM 0 HG SER B 311 55.493 -16.216 7.642 1.00 14.24 H new ATOM 1914 N SER B 312 52.516 -12.687 6.441 1.00 1.11 N ATOM 1915 CA SER B 312 51.558 -11.665 6.800 1.00 11.44 C ATOM 1916 C SER B 312 51.449 -10.590 5.726 1.00 60.40 C ATOM 1917 O SER B 312 51.032 -9.451 6.017 1.00 41.34 O ATOM 1918 CB SER B 312 51.975 -11.041 8.108 1.00 21.31 C ATOM 1919 OG SER B 312 52.108 -12.039 9.121 1.00 22.34 O ATOM 0 H SER B 312 53.463 -12.325 6.325 1.00 1.11 H new ATOM 0 HA SER B 312 50.578 -12.131 6.897 1.00 11.44 H new ATOM 0 HB2 SER B 312 52.921 -10.516 7.981 1.00 21.31 H new ATOM 0 HB3 SER B 312 51.237 -10.300 8.415 1.00 21.31 H new ATOM 0 HG SER B 312 53.012 -12.417 9.091 1.00 22.34 H new ATOM 1925 N LEU B 313 51.831 -10.898 4.502 1.00 4.23 N ATOM 1926 CA LEU B 313 51.939 -9.829 3.531 1.00 14.51 C ATOM 1927 C LEU B 313 50.690 -9.693 2.694 1.00 52.23 C ATOM 1928 O LEU B 313 50.593 -8.811 1.822 1.00 52.02 O ATOM 1929 CB LEU B 313 53.237 -9.943 2.688 1.00 61.41 C ATOM 1930 CG LEU B 313 53.426 -11.122 1.716 1.00 1.40 C ATOM 1931 CD1 LEU B 313 52.609 -10.947 0.438 1.00 73.31 C ATOM 1932 CD2 LEU B 313 54.894 -11.278 1.378 1.00 23.23 C ATOM 0 H LEU B 313 52.062 -11.833 4.167 1.00 4.23 H new ATOM 0 HA LEU B 313 52.024 -8.894 4.085 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.326 -9.026 2.106 1.00 61.41 H new ATOM 0 HB3 LEU B 313 54.075 -9.961 3.385 1.00 61.41 H new ATOM 0 HG LEU B 313 53.065 -12.023 2.213 1.00 1.40 H new ATOM 0 HD11 LEU B 313 52.773 -11.802 -0.218 1.00 73.31 H new ATOM 0 HD12 LEU B 313 51.550 -10.880 0.689 1.00 73.31 H new ATOM 0 HD13 LEU B 313 52.920 -10.034 -0.070 1.00 73.31 H new ATOM 0 HD21 LEU B 313 55.022 -12.114 0.690 1.00 23.23 H new ATOM 0 HD22 LEU B 313 55.259 -10.364 0.910 1.00 23.23 H new ATOM 0 HD23 LEU B 313 55.459 -11.469 2.290 1.00 23.23 H new ATOM 1944 N GLU B 314 49.719 -10.514 2.989 1.00 50.02 N ATOM 1945 CA GLU B 314 48.506 -10.519 2.225 1.00 22.11 C ATOM 1946 C GLU B 314 47.567 -9.385 2.718 1.00 24.03 C ATOM 1947 O GLU B 314 47.670 -8.927 3.876 1.00 52.11 O ATOM 1948 CB GLU B 314 47.780 -11.884 2.299 1.00 41.12 C ATOM 1949 CG GLU B 314 47.079 -12.158 3.620 1.00 31.33 C ATOM 1950 CD GLU B 314 47.938 -12.692 4.727 1.00 73.45 C ATOM 1951 OE1 GLU B 314 48.857 -12.007 5.171 1.00 40.53 O ATOM 1952 OE2 GLU B 314 47.639 -13.788 5.232 1.00 13.23 O ATOM 0 H GLU B 314 49.746 -11.188 3.754 1.00 50.02 H new ATOM 0 HA GLU B 314 48.770 -10.347 1.182 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.045 -11.934 1.496 1.00 41.12 H new ATOM 0 HB3 GLU B 314 48.505 -12.677 2.117 1.00 41.12 H new ATOM 0 HG2 GLU B 314 46.617 -11.232 3.961 1.00 31.33 H new ATOM 0 HG3 GLU B 314 46.273 -12.869 3.439 1.00 31.33 H new ATOM 1959 N PRO B 315 46.686 -8.882 1.846 1.00 10.45 N ATOM 1960 CA PRO B 315 45.711 -7.858 2.215 1.00 54.32 C ATOM 1961 C PRO B 315 44.556 -8.418 3.026 1.00 3.22 C ATOM 1962 O PRO B 315 44.062 -7.783 3.968 1.00 2.51 O ATOM 1963 CB PRO B 315 45.193 -7.345 0.868 1.00 25.23 C ATOM 1964 CG PRO B 315 45.455 -8.439 -0.110 1.00 44.42 C ATOM 1965 CD PRO B 315 46.623 -9.222 0.415 1.00 62.12 C ATOM 0 HA PRO B 315 46.163 -7.089 2.841 1.00 54.32 H new ATOM 0 HB2 PRO B 315 44.129 -7.114 0.920 1.00 25.23 H new ATOM 0 HB3 PRO B 315 45.705 -6.428 0.576 1.00 25.23 H new ATOM 0 HG2 PRO B 315 44.579 -9.078 -0.218 1.00 44.42 H new ATOM 0 HG3 PRO B 315 45.676 -8.031 -1.096 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.481 -10.293 0.268 1.00 62.12 H new ATOM 0 HD3 PRO B 315 47.545 -8.950 -0.098 1.00 62.12 H new ATOM 1973 N ASP B 316 44.154 -9.599 2.682 1.00 41.21 N ATOM 1974 CA ASP B 316 42.993 -10.226 3.252 1.00 41.22 C ATOM 1975 C ASP B 316 43.110 -11.724 3.157 1.00 10.30 C ATOM 1976 O ASP B 316 43.166 -12.393 4.206 1.00 0.00 O ATOM 1977 CB ASP B 316 41.749 -9.718 2.530 1.00 11.05 C ATOM 1978 CG ASP B 316 40.512 -10.555 2.761 1.00 61.13 C ATOM 1979 OD1 ASP B 316 39.945 -10.524 3.863 1.00 52.21 O ATOM 1980 OD2 ASP B 316 40.058 -11.245 1.818 1.00 1.52 O ATOM 1981 OXT ASP B 316 43.230 -12.242 2.038 1.00 0.00 O ATOM 0 H ASP B 316 44.629 -10.171 1.984 1.00 41.21 H new ATOM 0 HA ASP B 316 42.914 -9.970 4.309 1.00 41.22 H new ATOM 0 HB2 ASP B 316 41.548 -8.696 2.852 1.00 11.05 H new ATOM 0 HB3 ASP B 316 41.954 -9.680 1.460 1.00 11.05 H new TER 1986 ASP B 316