USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 798 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 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 100 SER OG : rot 120:sc= -0.217 USER MOD Set 2.1: A 79 SER OG : rot 100:sc= 0.525 USER MOD Set 2.2: A 86 GLN : amide:sc= -3.3! C(o=-2.8!,f=-3.5!) USER MOD Set 3.1: A 71 LYS NZ :NH3+ -134:sc= 1.19 (180deg=0) USER MOD Set 3.2: A 74 GLN : amide:sc= 0.943 K(o=2.1,f=-3.9!) USER MOD Set 4.1: A 66 THR OG1 : rot -14:sc= 0.775 USER MOD Set 4.2: A 70 GLN : amide:sc= 1.18 K(o=2,f=0.88) USER MOD Set 5.1: A 40 SER OG : rot 180:sc= -0.0378 USER MOD Set 5.2: A 42 LYS NZ :NH3+ 152:sc= 1.23 (180deg=1.11) USER MOD Set 6.1: A 35 SER OG : rot -81:sc= 1.25 USER MOD Set 6.2: A 37 ASN : amide:sc= 1.12 K(o=2.4,f=-2) USER MOD Set 7.1: A 23 LYS NZ :NH3+ 160:sc= 1.27 (180deg=0) USER MOD Set 7.2: A 25 SER OG : rot -170:sc= 0.994 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.501 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 13 THR OG1 : rot 48:sc= 0.219 USER MOD Single : A 19 ASN : amide:sc= 0.323 K(o=0.32,f=-6.3!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot -29:sc= 0.506 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.19) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc=-0.00172 X(o=-0.0017,f=-0.0017) USER MOD Single : A 38 MET CE :methyl -160:sc= -0.0967 (180deg=-0.642) USER MOD Single : A 43 ASN : amide:sc=-0.00453 K(o=-0.0045,f=-0.56) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -2.18! K(o=-2.2!,f=-0.39) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.044) USER MOD Single : A 65 HIS : no HD1:sc= -0.994 K(o=-0.99,f=-0.028) USER MOD Single : A 67 GLN : amide:sc= -1.78! C(o=-1.8!,f=-6.6!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.0573 X(o=-0.057,f=0) USER MOD Single : A 90 SER OG : rot 83:sc= 0.106 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -49:sc= 0.0742 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 96:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -45.847 8.182 -23.262 1.00 39.32 N ATOM 2 CA GLY A 1 -45.989 8.919 -21.987 1.00 39.39 C ATOM 3 C GLY A 1 -47.163 8.418 -21.173 1.00 39.02 C ATOM 4 O GLY A 1 -48.249 8.214 -21.717 1.00 38.60 O ATOM 0 H1 GLY A 1 -45.032 8.555 -23.790 1.00 39.32 H new ATOM 0 H2 GLY A 1 -45.698 7.172 -23.064 1.00 39.32 H new ATOM 0 H3 GLY A 1 -46.710 8.300 -23.829 1.00 39.32 H new ATOM 0 HA2 GLY A 1 -45.073 8.817 -21.405 1.00 39.39 H new ATOM 0 HA3 GLY A 1 -46.118 9.981 -22.194 1.00 39.39 H new ATOM 10 N PRO A 2 -46.973 8.193 -19.862 1.00 39.23 N ATOM 11 CA PRO A 2 -48.054 7.779 -18.968 1.00 38.99 C ATOM 12 C PRO A 2 -49.101 8.874 -18.802 1.00 38.70 C ATOM 13 O PRO A 2 -48.846 9.905 -18.175 1.00 39.16 O ATOM 14 CB PRO A 2 -47.350 7.500 -17.628 1.00 39.44 C ATOM 15 CG PRO A 2 -45.892 7.436 -17.950 1.00 39.88 C ATOM 16 CD PRO A 2 -45.690 8.308 -19.153 1.00 39.77 C ATOM 0 HA PRO A 2 -48.591 6.914 -19.356 1.00 38.99 H new ATOM 0 HB2 PRO A 2 -47.558 8.288 -16.904 1.00 39.44 H new ATOM 0 HB3 PRO A 2 -47.697 6.564 -17.190 1.00 39.44 H new ATOM 0 HG2 PRO A 2 -45.292 7.787 -17.110 1.00 39.88 H new ATOM 0 HG3 PRO A 2 -45.584 6.411 -18.156 1.00 39.88 H new ATOM 0 HD2 PRO A 2 -45.474 9.339 -18.873 1.00 39.77 H new ATOM 0 HD3 PRO A 2 -44.857 7.964 -19.766 1.00 39.77 H new ATOM 24 N LEU A 3 -50.281 8.652 -19.361 1.00 37.99 N ATOM 25 CA LEU A 3 -51.351 9.630 -19.281 1.00 37.71 C ATOM 26 C LEU A 3 -52.407 9.113 -18.319 1.00 36.95 C ATOM 27 O LEU A 3 -53.505 9.660 -18.202 1.00 36.88 O ATOM 28 CB LEU A 3 -51.956 9.885 -20.669 1.00 37.68 C ATOM 29 CG LEU A 3 -52.974 11.023 -20.751 1.00 38.25 C ATOM 30 CD1 LEU A 3 -52.336 12.338 -20.344 1.00 38.55 C ATOM 31 CD2 LEU A 3 -53.530 11.118 -22.156 1.00 38.67 C ATOM 0 H LEU A 3 -50.520 7.803 -19.874 1.00 37.99 H new ATOM 0 HA LEU A 3 -50.957 10.579 -18.916 1.00 37.71 H new ATOM 0 HB2 LEU A 3 -51.145 10.098 -21.365 1.00 37.68 H new ATOM 0 HB3 LEU A 3 -52.436 8.968 -21.010 1.00 37.68 H new ATOM 0 HG LEU A 3 -53.792 10.812 -20.062 1.00 38.25 H new ATOM 0 HD11 LEU A 3 -53.075 13.136 -20.408 1.00 38.55 H new ATOM 0 HD12 LEU A 3 -51.971 12.264 -19.320 1.00 38.55 H new ATOM 0 HD13 LEU A 3 -51.503 12.560 -21.011 1.00 38.55 H new ATOM 0 HD21 LEU A 3 -54.254 11.931 -22.206 1.00 38.67 H new ATOM 0 HD22 LEU A 3 -52.718 11.312 -22.856 1.00 38.67 H new ATOM 0 HD23 LEU A 3 -54.019 10.180 -22.418 1.00 38.67 H new ATOM 43 N GLY A 4 -52.046 8.057 -17.609 1.00 36.42 N ATOM 44 CA GLY A 4 -52.992 7.395 -16.745 1.00 35.70 C ATOM 45 C GLY A 4 -53.592 6.186 -17.410 1.00 35.18 C ATOM 46 O GLY A 4 -53.048 5.666 -18.391 1.00 34.80 O ATOM 0 H GLY A 4 -51.112 7.647 -17.617 1.00 36.42 H new ATOM 0 HA2 GLY A 4 -52.496 7.095 -15.822 1.00 35.70 H new ATOM 0 HA3 GLY A 4 -53.784 8.091 -16.470 1.00 35.70 H new ATOM 50 N SER A 5 -54.711 5.743 -16.886 1.00 35.22 N ATOM 51 CA SER A 5 -55.377 4.565 -17.385 1.00 34.83 C ATOM 52 C SER A 5 -56.725 4.449 -16.682 1.00 34.57 C ATOM 53 O SER A 5 -57.413 5.451 -16.484 1.00 34.37 O ATOM 54 CB SER A 5 -54.499 3.332 -17.115 1.00 34.91 C ATOM 55 OG SER A 5 -55.045 2.160 -17.693 1.00 35.05 O ATOM 0 H SER A 5 -55.185 6.190 -16.101 1.00 35.22 H new ATOM 0 HA SER A 5 -55.540 4.632 -18.461 1.00 34.83 H new ATOM 0 HB2 SER A 5 -53.500 3.503 -17.515 1.00 34.91 H new ATOM 0 HB3 SER A 5 -54.392 3.191 -16.040 1.00 34.91 H new ATOM 0 HG SER A 5 -54.459 1.398 -17.502 1.00 35.05 H new ATOM 61 N THR A 6 -57.083 3.241 -16.302 1.00 34.64 N ATOM 62 CA THR A 6 -58.281 3.017 -15.511 1.00 34.51 C ATOM 63 C THR A 6 -58.048 3.495 -14.074 1.00 33.81 C ATOM 64 O THR A 6 -58.998 3.754 -13.332 1.00 33.44 O ATOM 65 CB THR A 6 -58.709 1.528 -15.529 1.00 34.85 C ATOM 66 OG1 THR A 6 -59.874 1.334 -14.720 1.00 35.00 O ATOM 67 CG2 THR A 6 -57.592 0.625 -15.032 1.00 35.32 C ATOM 0 H THR A 6 -56.561 2.394 -16.528 1.00 34.64 H new ATOM 0 HA THR A 6 -59.094 3.592 -15.954 1.00 34.51 H new ATOM 0 HB THR A 6 -58.935 1.263 -16.562 1.00 34.85 H new ATOM 0 HG1 THR A 6 -60.134 0.389 -14.742 1.00 35.00 H new ATOM 0 HG21 THR A 6 -57.925 -0.413 -15.057 1.00 35.32 H new ATOM 0 HG22 THR A 6 -56.718 0.741 -15.672 1.00 35.32 H new ATOM 0 HG23 THR A 6 -57.331 0.898 -14.009 1.00 35.32 H new ATOM 75 N SER A 7 -56.767 3.635 -13.721 1.00 33.71 N ATOM 76 CA SER A 7 -56.336 4.165 -12.428 1.00 33.13 C ATOM 77 C SER A 7 -56.731 3.240 -11.282 1.00 32.43 C ATOM 78 O SER A 7 -57.827 3.344 -10.728 1.00 32.42 O ATOM 79 CB SER A 7 -56.904 5.565 -12.214 1.00 33.49 C ATOM 80 OG SER A 7 -56.598 6.403 -13.315 1.00 33.98 O ATOM 0 H SER A 7 -55.992 3.380 -14.334 1.00 33.71 H new ATOM 0 HA SER A 7 -55.248 4.226 -12.437 1.00 33.13 H new ATOM 0 HB2 SER A 7 -57.985 5.508 -12.083 1.00 33.49 H new ATOM 0 HB3 SER A 7 -56.494 5.993 -11.299 1.00 33.49 H new ATOM 0 HG SER A 7 -56.972 7.296 -13.160 1.00 33.98 H new ATOM 86 N LEU A 8 -55.837 2.325 -10.943 1.00 31.93 N ATOM 87 CA LEU A 8 -56.079 1.393 -9.856 1.00 31.32 C ATOM 88 C LEU A 8 -55.394 1.882 -8.591 1.00 30.56 C ATOM 89 O LEU A 8 -54.187 2.141 -8.590 1.00 30.33 O ATOM 90 CB LEU A 8 -55.574 -0.006 -10.227 1.00 31.31 C ATOM 91 CG LEU A 8 -56.208 -0.616 -11.478 1.00 32.11 C ATOM 92 CD1 LEU A 8 -55.624 -1.996 -11.745 1.00 32.24 C ATOM 93 CD2 LEU A 8 -57.720 -0.696 -11.326 1.00 32.31 C ATOM 0 H LEU A 8 -54.936 2.209 -11.407 1.00 31.93 H new ATOM 0 HA LEU A 8 -57.153 1.335 -9.677 1.00 31.32 H new ATOM 0 HB2 LEU A 8 -54.495 0.041 -10.372 1.00 31.31 H new ATOM 0 HB3 LEU A 8 -55.753 -0.675 -9.385 1.00 31.31 H new ATOM 0 HG LEU A 8 -55.984 0.027 -12.329 1.00 32.11 H new ATOM 0 HD11 LEU A 8 -56.084 -2.419 -12.638 1.00 32.24 H new ATOM 0 HD12 LEU A 8 -54.548 -1.913 -11.896 1.00 32.24 H new ATOM 0 HD13 LEU A 8 -55.822 -2.646 -10.893 1.00 32.24 H new ATOM 0 HD21 LEU A 8 -58.154 -1.133 -12.226 1.00 32.31 H new ATOM 0 HD22 LEU A 8 -57.967 -1.318 -10.466 1.00 32.31 H new ATOM 0 HD23 LEU A 8 -58.124 0.305 -11.178 1.00 32.31 H new ATOM 105 N VAL A 9 -56.161 2.023 -7.520 1.00 30.24 N ATOM 106 CA VAL A 9 -55.612 2.476 -6.253 1.00 29.57 C ATOM 107 C VAL A 9 -55.409 1.283 -5.317 1.00 29.50 C ATOM 108 O VAL A 9 -56.342 0.775 -4.694 1.00 29.74 O ATOM 109 CB VAL A 9 -56.497 3.572 -5.596 1.00 29.39 C ATOM 110 CG1 VAL A 9 -57.944 3.116 -5.436 1.00 28.95 C ATOM 111 CG2 VAL A 9 -55.915 4.003 -4.258 1.00 29.66 C ATOM 0 H VAL A 9 -57.163 1.831 -7.504 1.00 30.24 H new ATOM 0 HA VAL A 9 -54.643 2.936 -6.447 1.00 29.57 H new ATOM 0 HB VAL A 9 -56.501 4.432 -6.266 1.00 29.39 H new ATOM 0 HG11 VAL A 9 -58.527 3.912 -4.973 1.00 28.95 H new ATOM 0 HG12 VAL A 9 -58.362 2.882 -6.415 1.00 28.95 H new ATOM 0 HG13 VAL A 9 -57.978 2.228 -4.805 1.00 28.95 H new ATOM 0 HG21 VAL A 9 -56.550 4.771 -3.815 1.00 29.66 H new ATOM 0 HG22 VAL A 9 -55.865 3.144 -3.589 1.00 29.66 H new ATOM 0 HG23 VAL A 9 -54.913 4.404 -4.409 1.00 29.66 H new ATOM 121 N GLN A 10 -54.178 0.803 -5.261 1.00 29.28 N ATOM 122 CA GLN A 10 -53.853 -0.387 -4.486 1.00 29.30 C ATOM 123 C GLN A 10 -52.924 -0.056 -3.323 1.00 28.60 C ATOM 124 O GLN A 10 -52.468 -0.946 -2.600 1.00 28.70 O ATOM 125 CB GLN A 10 -53.201 -1.433 -5.395 1.00 29.33 C ATOM 126 CG GLN A 10 -51.940 -0.939 -6.096 1.00 29.73 C ATOM 127 CD GLN A 10 -51.381 -1.956 -7.071 1.00 30.01 C ATOM 128 OE1 GLN A 10 -51.531 -3.160 -6.885 1.00 30.47 O ATOM 129 NE2 GLN A 10 -50.728 -1.475 -8.120 1.00 29.80 N ATOM 0 H GLN A 10 -53.383 1.220 -5.745 1.00 29.28 H new ATOM 0 HA GLN A 10 -54.779 -0.787 -4.072 1.00 29.30 H new ATOM 0 HB2 GLN A 10 -52.954 -2.313 -4.801 1.00 29.33 H new ATOM 0 HB3 GLN A 10 -53.924 -1.748 -6.147 1.00 29.33 H new ATOM 0 HG2 GLN A 10 -52.163 -0.014 -6.629 1.00 29.73 H new ATOM 0 HG3 GLN A 10 -51.182 -0.702 -5.349 1.00 29.73 H new ATOM 0 HE21 GLN A 10 -50.625 -0.467 -8.238 1.00 29.80 H new ATOM 0 HE22 GLN A 10 -50.329 -2.113 -8.808 1.00 29.80 H new ATOM 138 N GLY A 11 -52.680 1.232 -3.119 1.00 27.99 N ATOM 139 CA GLY A 11 -51.710 1.661 -2.127 1.00 27.37 C ATOM 140 C GLY A 11 -52.248 1.659 -0.708 1.00 27.00 C ATOM 141 O GLY A 11 -51.866 2.500 0.103 1.00 26.96 O ATOM 0 H GLY A 11 -53.138 1.991 -3.624 1.00 27.99 H new ATOM 0 HA2 GLY A 11 -50.839 1.008 -2.177 1.00 27.37 H new ATOM 0 HA3 GLY A 11 -51.369 2.666 -2.376 1.00 27.37 H new ATOM 145 N LEU A 12 -53.140 0.718 -0.413 1.00 26.82 N ATOM 146 CA LEU A 12 -53.680 0.560 0.926 1.00 26.55 C ATOM 147 C LEU A 12 -53.802 -0.923 1.196 1.00 25.80 C ATOM 148 O LEU A 12 -54.133 -1.347 2.303 1.00 25.54 O ATOM 149 CB LEU A 12 -55.069 1.208 1.070 1.00 27.23 C ATOM 150 CG LEU A 12 -55.181 2.690 0.688 1.00 28.12 C ATOM 151 CD1 LEU A 12 -55.432 2.849 -0.805 1.00 28.61 C ATOM 152 CD2 LEU A 12 -56.285 3.368 1.489 1.00 28.64 C ATOM 0 H LEU A 12 -53.504 0.050 -1.092 1.00 26.82 H new ATOM 0 HA LEU A 12 -53.014 1.052 1.635 1.00 26.55 H new ATOM 0 HB2 LEU A 12 -55.773 0.645 0.457 1.00 27.23 H new ATOM 0 HB3 LEU A 12 -55.390 1.098 2.106 1.00 27.23 H new ATOM 0 HG LEU A 12 -54.233 3.173 0.927 1.00 28.12 H new ATOM 0 HD11 LEU A 12 -55.508 3.908 -1.050 1.00 28.61 H new ATOM 0 HD12 LEU A 12 -54.607 2.405 -1.362 1.00 28.61 H new ATOM 0 HD13 LEU A 12 -56.362 2.347 -1.073 1.00 28.61 H new ATOM 0 HD21 LEU A 12 -56.349 4.418 1.204 1.00 28.64 H new ATOM 0 HD22 LEU A 12 -57.237 2.878 1.284 1.00 28.64 H new ATOM 0 HD23 LEU A 12 -56.061 3.294 2.553 1.00 28.64 H new ATOM 164 N THR A 13 -53.479 -1.698 0.159 1.00 25.53 N ATOM 165 CA THR A 13 -53.784 -3.110 0.097 1.00 24.91 C ATOM 166 C THR A 13 -55.154 -3.426 0.677 1.00 24.79 C ATOM 167 O THR A 13 -55.268 -4.008 1.755 1.00 24.22 O ATOM 168 CB THR A 13 -52.691 -3.963 0.756 1.00 24.58 C ATOM 169 OG1 THR A 13 -52.276 -3.396 2.012 1.00 24.93 O ATOM 170 CG2 THR A 13 -51.505 -4.078 -0.177 1.00 24.35 C ATOM 0 H THR A 13 -52.992 -1.349 -0.667 1.00 25.53 H new ATOM 0 HA THR A 13 -53.811 -3.374 -0.960 1.00 24.91 H new ATOM 0 HB THR A 13 -53.100 -4.954 0.952 1.00 24.58 H new ATOM 0 HG1 THR A 13 -53.066 -3.162 2.542 1.00 24.93 H new ATOM 0 HG21 THR A 13 -50.730 -4.684 0.293 1.00 24.35 H new ATOM 0 HG22 THR A 13 -51.819 -4.549 -1.108 1.00 24.35 H new ATOM 0 HG23 THR A 13 -51.110 -3.084 -0.388 1.00 24.35 H new ATOM 178 N PRO A 14 -56.220 -2.988 -0.015 1.00 25.42 N ATOM 179 CA PRO A 14 -57.583 -3.339 0.359 1.00 25.50 C ATOM 180 C PRO A 14 -57.839 -4.848 0.180 1.00 24.95 C ATOM 181 O PRO A 14 -58.222 -5.513 1.143 1.00 24.63 O ATOM 182 CB PRO A 14 -58.465 -2.475 -0.558 1.00 26.39 C ATOM 183 CG PRO A 14 -57.542 -1.457 -1.149 1.00 26.81 C ATOM 184 CD PRO A 14 -56.184 -2.092 -1.179 1.00 26.21 C ATOM 0 HA PRO A 14 -57.796 -3.148 1.411 1.00 25.50 H new ATOM 0 HB2 PRO A 14 -58.934 -3.079 -1.335 1.00 26.39 H new ATOM 0 HB3 PRO A 14 -59.268 -1.998 0.004 1.00 26.39 H new ATOM 0 HG2 PRO A 14 -57.863 -1.176 -2.152 1.00 26.81 H new ATOM 0 HG3 PRO A 14 -57.533 -0.546 -0.551 1.00 26.81 H new ATOM 0 HD2 PRO A 14 -56.013 -2.639 -2.106 1.00 26.21 H new ATOM 0 HD3 PRO A 14 -55.389 -1.351 -1.095 1.00 26.21 H new ATOM 192 N PRO A 15 -57.655 -5.431 -1.037 1.00 24.93 N ATOM 193 CA PRO A 15 -57.686 -6.868 -1.240 1.00 24.50 C ATOM 194 C PRO A 15 -56.314 -7.466 -1.614 1.00 23.52 C ATOM 195 O PRO A 15 -56.116 -7.900 -2.750 1.00 23.07 O ATOM 196 CB PRO A 15 -58.641 -6.953 -2.429 1.00 25.00 C ATOM 197 CG PRO A 15 -58.364 -5.705 -3.232 1.00 25.60 C ATOM 198 CD PRO A 15 -57.540 -4.786 -2.348 1.00 25.43 C ATOM 0 HA PRO A 15 -57.975 -7.422 -0.347 1.00 24.50 H new ATOM 0 HB2 PRO A 15 -58.460 -7.852 -3.019 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -59.680 -6.991 -2.101 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -57.824 -5.947 -4.147 1.00 25.60 H new ATOM 0 HG3 PRO A 15 -59.295 -5.222 -3.529 1.00 25.60 H new ATOM 0 HD2 PRO A 15 -56.504 -4.722 -2.681 1.00 25.43 H new ATOM 0 HD3 PRO A 15 -57.934 -3.770 -2.338 1.00 25.43 H new ATOM 206 N PRO A 16 -55.331 -7.476 -0.684 1.00 23.25 N ATOM 207 CA PRO A 16 -54.044 -8.157 -0.908 1.00 22.42 C ATOM 208 C PRO A 16 -54.216 -9.663 -1.118 1.00 22.03 C ATOM 209 O PRO A 16 -53.359 -10.316 -1.715 1.00 22.10 O ATOM 210 CB PRO A 16 -53.249 -7.873 0.375 1.00 22.52 C ATOM 211 CG PRO A 16 -54.267 -7.481 1.382 1.00 23.30 C ATOM 212 CD PRO A 16 -55.350 -6.783 0.612 1.00 23.82 C ATOM 0 HA PRO A 16 -53.547 -7.800 -1.810 1.00 22.42 H new ATOM 0 HB2 PRO A 16 -52.694 -8.754 0.698 1.00 22.52 H new ATOM 0 HB3 PRO A 16 -52.521 -7.077 0.220 1.00 22.52 H new ATOM 0 HG2 PRO A 16 -54.658 -8.354 1.904 1.00 23.30 H new ATOM 0 HG3 PRO A 16 -53.838 -6.823 2.138 1.00 23.30 H new ATOM 0 HD2 PRO A 16 -56.318 -6.874 1.104 1.00 23.82 H new ATOM 0 HD3 PRO A 16 -55.146 -5.718 0.503 1.00 23.82 H new ATOM 220 N ASP A 17 -55.327 -10.196 -0.601 1.00 21.73 N ATOM 221 CA ASP A 17 -55.695 -11.612 -0.750 1.00 21.48 C ATOM 222 C ASP A 17 -54.835 -12.538 0.117 1.00 20.70 C ATOM 223 O ASP A 17 -55.254 -13.653 0.429 1.00 20.31 O ATOM 224 CB ASP A 17 -55.631 -12.061 -2.215 1.00 21.48 C ATOM 225 CG ASP A 17 -56.738 -11.468 -3.063 1.00 21.55 C ATOM 226 OD1 ASP A 17 -57.918 -11.819 -2.835 1.00 21.80 O ATOM 227 OD2 ASP A 17 -56.440 -10.661 -3.964 1.00 21.44 O ATOM 0 H ASP A 17 -56.003 -9.655 -0.063 1.00 21.73 H new ATOM 0 HA ASP A 17 -56.725 -11.692 -0.402 1.00 21.48 H new ATOM 0 HB2 ASP A 17 -54.666 -11.776 -2.635 1.00 21.48 H new ATOM 0 HB3 ASP A 17 -55.689 -13.149 -2.259 1.00 21.48 H new ATOM 232 N PHE A 18 -53.633 -12.078 0.480 1.00 20.58 N ATOM 233 CA PHE A 18 -52.711 -12.834 1.339 1.00 19.96 C ATOM 234 C PHE A 18 -52.173 -14.081 0.640 1.00 19.47 C ATOM 235 O PHE A 18 -51.640 -14.984 1.289 1.00 19.17 O ATOM 236 CB PHE A 18 -53.373 -13.228 2.663 1.00 20.48 C ATOM 237 CG PHE A 18 -53.329 -12.152 3.712 1.00 20.66 C ATOM 238 CD1 PHE A 18 -54.317 -11.182 3.757 1.00 20.54 C ATOM 239 CD2 PHE A 18 -52.306 -12.107 4.644 1.00 21.10 C ATOM 240 CE1 PHE A 18 -54.287 -10.185 4.712 1.00 20.84 C ATOM 241 CE2 PHE A 18 -52.270 -11.109 5.604 1.00 21.40 C ATOM 242 CZ PHE A 18 -53.235 -10.179 5.666 1.00 21.27 C ATOM 0 H PHE A 18 -53.270 -11.171 0.187 1.00 20.58 H new ATOM 0 HA PHE A 18 -51.872 -12.171 1.550 1.00 19.96 H new ATOM 0 HB2 PHE A 18 -54.413 -13.493 2.473 1.00 20.48 H new ATOM 0 HB3 PHE A 18 -52.882 -14.120 3.052 1.00 20.48 H new ATOM 0 HD1 PHE A 18 -55.121 -11.206 3.036 1.00 20.54 H new ATOM 0 HD2 PHE A 18 -51.529 -12.857 4.622 1.00 21.10 H new ATOM 0 HE1 PHE A 18 -55.051 -9.422 4.733 1.00 20.84 H new ATOM 0 HE2 PHE A 18 -51.455 -11.079 6.312 1.00 21.40 H new ATOM 0 HZ PHE A 18 -53.212 -9.427 6.441 1.00 21.27 H new ATOM 252 N ASN A 19 -52.297 -14.120 -0.675 1.00 19.51 N ATOM 253 CA ASN A 19 -51.795 -15.245 -1.451 1.00 19.22 C ATOM 254 C ASN A 19 -50.337 -14.989 -1.832 1.00 18.44 C ATOM 255 O ASN A 19 -50.030 -14.013 -2.516 1.00 18.17 O ATOM 256 CB ASN A 19 -52.652 -15.442 -2.708 1.00 19.70 C ATOM 257 CG ASN A 19 -52.436 -16.797 -3.366 1.00 20.22 C ATOM 258 OD1 ASN A 19 -51.350 -17.373 -3.297 1.00 20.50 O ATOM 259 ND2 ASN A 19 -53.475 -17.323 -4.000 1.00 20.47 N ATOM 0 H ASN A 19 -52.740 -13.387 -1.229 1.00 19.51 H new ATOM 0 HA ASN A 19 -51.851 -16.154 -0.851 1.00 19.22 H new ATOM 0 HB2 ASN A 19 -53.704 -15.335 -2.444 1.00 19.70 H new ATOM 0 HB3 ASN A 19 -52.422 -14.655 -3.426 1.00 19.70 H new ATOM 0 HD21 ASN A 19 -53.390 -18.234 -4.451 1.00 20.47 H new ATOM 0 HD22 ASN A 19 -54.360 -16.817 -4.037 1.00 20.47 H new ATOM 266 N GLN A 20 -49.443 -15.862 -1.382 1.00 18.18 N ATOM 267 CA GLN A 20 -48.018 -15.662 -1.592 1.00 17.53 C ATOM 268 C GLN A 20 -47.549 -16.231 -2.925 1.00 17.18 C ATOM 269 O GLN A 20 -46.387 -16.081 -3.276 1.00 16.92 O ATOM 270 CB GLN A 20 -47.206 -16.263 -0.443 1.00 17.65 C ATOM 271 CG GLN A 20 -47.360 -15.507 0.868 1.00 18.17 C ATOM 272 CD GLN A 20 -46.389 -15.973 1.934 1.00 18.45 C ATOM 273 OE1 GLN A 20 -45.269 -15.470 2.031 1.00 18.40 O ATOM 274 NE2 GLN A 20 -46.809 -16.929 2.747 1.00 18.86 N ATOM 0 H GLN A 20 -49.681 -16.712 -0.871 1.00 18.18 H new ATOM 0 HA GLN A 20 -47.850 -14.585 -1.616 1.00 17.53 H new ATOM 0 HB2 GLN A 20 -47.512 -17.298 -0.295 1.00 17.65 H new ATOM 0 HB3 GLN A 20 -46.153 -16.279 -0.722 1.00 17.65 H new ATOM 0 HG2 GLN A 20 -47.211 -14.442 0.688 1.00 18.17 H new ATOM 0 HG3 GLN A 20 -48.380 -15.628 1.234 1.00 18.17 H new ATOM 0 HE21 GLN A 20 -47.744 -17.320 2.634 1.00 18.86 H new ATOM 0 HE22 GLN A 20 -46.197 -17.275 3.487 1.00 18.86 H new ATOM 283 N CYS A 21 -48.440 -16.918 -3.640 1.00 17.29 N ATOM 284 CA CYS A 21 -48.196 -17.326 -5.035 1.00 17.13 C ATOM 285 C CYS A 21 -47.010 -18.300 -5.211 1.00 16.75 C ATOM 286 O CYS A 21 -46.732 -18.735 -6.331 1.00 16.28 O ATOM 287 CB CYS A 21 -47.988 -16.079 -5.901 1.00 16.85 C ATOM 288 SG CYS A 21 -47.790 -16.420 -7.661 1.00 17.55 S ATOM 0 H CYS A 21 -49.348 -17.209 -3.277 1.00 17.29 H new ATOM 0 HA CYS A 21 -49.080 -17.877 -5.355 1.00 17.13 H new ATOM 0 HB2 CYS A 21 -48.839 -15.411 -5.766 1.00 16.85 H new ATOM 0 HB3 CYS A 21 -47.106 -15.547 -5.545 1.00 16.85 H new ATOM 0 HG CYS A 21 -47.257 -17.595 -7.818 1.00 17.55 H new ATOM 294 N LEU A 22 -46.323 -18.645 -4.119 1.00 17.08 N ATOM 295 CA LEU A 22 -45.140 -19.518 -4.179 1.00 16.96 C ATOM 296 C LEU A 22 -44.056 -18.919 -5.084 1.00 16.12 C ATOM 297 O LEU A 22 -43.261 -19.641 -5.681 1.00 16.24 O ATOM 298 CB LEU A 22 -45.503 -20.926 -4.680 1.00 17.70 C ATOM 299 CG LEU A 22 -46.120 -21.876 -3.641 1.00 18.56 C ATOM 300 CD1 LEU A 22 -45.221 -21.998 -2.417 1.00 18.72 C ATOM 301 CD2 LEU A 22 -47.514 -21.426 -3.234 1.00 19.08 C ATOM 0 H LEU A 22 -46.564 -18.334 -3.178 1.00 17.08 H new ATOM 0 HA LEU A 22 -44.753 -19.597 -3.163 1.00 16.96 H new ATOM 0 HB2 LEU A 22 -46.202 -20.825 -5.510 1.00 17.70 H new ATOM 0 HB3 LEU A 22 -44.601 -21.392 -5.078 1.00 17.70 H new ATOM 0 HG LEU A 22 -46.208 -22.858 -4.106 1.00 18.56 H new ATOM 0 HD11 LEU A 22 -45.678 -22.675 -1.696 1.00 18.72 H new ATOM 0 HD12 LEU A 22 -44.249 -22.390 -2.717 1.00 18.72 H new ATOM 0 HD13 LEU A 22 -45.092 -21.016 -1.961 1.00 18.72 H new ATOM 0 HD21 LEU A 22 -47.920 -22.120 -2.498 1.00 19.08 H new ATOM 0 HD22 LEU A 22 -47.462 -20.427 -2.800 1.00 19.08 H new ATOM 0 HD23 LEU A 22 -48.161 -21.407 -4.111 1.00 19.08 H new ATOM 313 N LYS A 23 -44.012 -17.588 -5.143 1.00 15.37 N ATOM 314 CA LYS A 23 -43.075 -16.863 -6.015 1.00 14.61 C ATOM 315 C LYS A 23 -41.621 -16.939 -5.534 1.00 14.25 C ATOM 316 O LYS A 23 -40.767 -16.226 -6.061 1.00 13.68 O ATOM 317 CB LYS A 23 -43.483 -15.380 -6.172 1.00 14.14 C ATOM 318 CG LYS A 23 -44.555 -14.883 -5.203 1.00 14.53 C ATOM 319 CD LYS A 23 -44.002 -14.416 -3.854 1.00 14.23 C ATOM 320 CE LYS A 23 -43.371 -15.539 -3.034 1.00 14.39 C ATOM 321 NZ LYS A 23 -42.976 -15.099 -1.666 1.00 14.38 N ATOM 0 H LYS A 23 -44.619 -16.981 -4.593 1.00 15.37 H new ATOM 0 HA LYS A 23 -43.132 -17.364 -6.982 1.00 14.61 H new ATOM 0 HB2 LYS A 23 -42.593 -14.762 -6.049 1.00 14.14 H new ATOM 0 HB3 LYS A 23 -43.840 -15.226 -7.190 1.00 14.14 H new ATOM 0 HG2 LYS A 23 -45.097 -14.059 -5.667 1.00 14.53 H new ATOM 0 HG3 LYS A 23 -45.276 -15.683 -5.032 1.00 14.53 H new ATOM 0 HD2 LYS A 23 -43.257 -13.639 -4.025 1.00 14.23 H new ATOM 0 HD3 LYS A 23 -44.808 -13.964 -3.276 1.00 14.23 H new ATOM 0 HE2 LYS A 23 -44.076 -16.367 -2.956 1.00 14.39 H new ATOM 0 HE3 LYS A 23 -42.493 -15.917 -3.558 1.00 14.39 H new ATOM 0 HZ1 LYS A 23 -42.876 -15.930 -1.049 1.00 14.38 H new ATOM 0 HZ2 LYS A 23 -42.069 -14.592 -1.713 1.00 14.38 H new ATOM 0 HZ3 LYS A 23 -43.706 -14.467 -1.280 1.00 14.38 H new ATOM 335 N ASN A 24 -41.340 -17.802 -4.549 1.00 14.73 N ATOM 336 CA ASN A 24 -39.979 -18.000 -4.016 1.00 14.67 C ATOM 337 C ASN A 24 -39.487 -16.795 -3.213 1.00 13.87 C ATOM 338 O ASN A 24 -39.137 -16.933 -2.042 1.00 14.11 O ATOM 339 CB ASN A 24 -38.971 -18.300 -5.136 1.00 14.94 C ATOM 340 CG ASN A 24 -39.270 -19.581 -5.899 1.00 15.80 C ATOM 341 OD1 ASN A 24 -38.835 -20.662 -5.507 1.00 16.18 O ATOM 342 ND2 ASN A 24 -39.984 -19.463 -7.010 1.00 16.23 N ATOM 0 H ASN A 24 -42.046 -18.383 -4.097 1.00 14.73 H new ATOM 0 HA ASN A 24 -40.044 -18.859 -3.348 1.00 14.67 H new ATOM 0 HB2 ASN A 24 -38.960 -17.465 -5.836 1.00 14.94 H new ATOM 0 HB3 ASN A 24 -37.972 -18.369 -4.705 1.00 14.94 H new ATOM 0 HD21 ASN A 24 -40.190 -20.288 -7.574 1.00 16.23 H new ATOM 0 HD22 ASN A 24 -40.327 -18.548 -7.301 1.00 16.23 H new ATOM 349 N SER A 25 -39.461 -15.630 -3.862 1.00 13.05 N ATOM 350 CA SER A 25 -38.912 -14.400 -3.307 1.00 12.28 C ATOM 351 C SER A 25 -37.392 -14.439 -3.327 1.00 12.15 C ATOM 352 O SER A 25 -36.748 -14.759 -2.332 1.00 12.30 O ATOM 353 CB SER A 25 -39.446 -14.090 -1.901 1.00 12.37 C ATOM 354 OG SER A 25 -40.781 -13.612 -1.965 1.00 12.97 O ATOM 0 H SER A 25 -39.829 -15.517 -4.806 1.00 13.05 H new ATOM 0 HA SER A 25 -39.248 -13.583 -3.945 1.00 12.28 H new ATOM 0 HB2 SER A 25 -39.405 -14.988 -1.285 1.00 12.37 H new ATOM 0 HB3 SER A 25 -38.811 -13.346 -1.421 1.00 12.37 H new ATOM 0 HG SER A 25 -41.049 -13.273 -1.086 1.00 12.97 H new ATOM 360 N PRO A 26 -36.804 -14.163 -4.502 1.00 12.10 N ATOM 361 CA PRO A 26 -35.367 -14.024 -4.658 1.00 12.18 C ATOM 362 C PRO A 26 -34.941 -12.584 -4.416 1.00 11.48 C ATOM 363 O PRO A 26 -33.764 -12.232 -4.522 1.00 11.60 O ATOM 364 CB PRO A 26 -35.125 -14.426 -6.118 1.00 12.53 C ATOM 365 CG PRO A 26 -36.483 -14.513 -6.768 1.00 12.59 C ATOM 366 CD PRO A 26 -37.488 -13.983 -5.783 1.00 12.23 C ATOM 0 HA PRO A 26 -34.799 -14.630 -3.952 1.00 12.18 H new ATOM 0 HB2 PRO A 26 -34.499 -13.691 -6.624 1.00 12.53 H new ATOM 0 HB3 PRO A 26 -34.605 -15.382 -6.176 1.00 12.53 H new ATOM 0 HG2 PRO A 26 -36.505 -13.931 -7.690 1.00 12.59 H new ATOM 0 HG3 PRO A 26 -36.715 -15.544 -7.036 1.00 12.59 H new ATOM 0 HD2 PRO A 26 -37.727 -12.936 -5.971 1.00 12.23 H new ATOM 0 HD3 PRO A 26 -38.426 -14.537 -5.823 1.00 12.23 H new ATOM 374 N ASP A 27 -35.927 -11.754 -4.110 1.00 10.92 N ATOM 375 CA ASP A 27 -35.706 -10.355 -3.807 1.00 10.34 C ATOM 376 C ASP A 27 -35.118 -10.225 -2.408 1.00 9.92 C ATOM 377 O ASP A 27 -34.007 -9.717 -2.244 1.00 10.16 O ATOM 378 CB ASP A 27 -37.020 -9.563 -3.942 1.00 10.24 C ATOM 379 CG ASP A 27 -38.127 -10.081 -3.037 1.00 10.06 C ATOM 380 OD1 ASP A 27 -38.708 -11.143 -3.351 1.00 10.17 O ATOM 381 OD2 ASP A 27 -38.433 -9.417 -2.026 1.00 9.96 O ATOM 0 H ASP A 27 -36.906 -12.037 -4.066 1.00 10.92 H new ATOM 0 HA ASP A 27 -34.996 -9.935 -4.519 1.00 10.34 H new ATOM 0 HB2 ASP A 27 -36.830 -8.515 -3.710 1.00 10.24 H new ATOM 0 HB3 ASP A 27 -37.357 -9.604 -4.978 1.00 10.24 H new ATOM 386 N GLU A 28 -35.868 -10.697 -1.409 1.00 9.51 N ATOM 387 CA GLU A 28 -35.397 -10.786 -0.029 1.00 9.33 C ATOM 388 C GLU A 28 -34.810 -9.463 0.473 1.00 8.90 C ATOM 389 O GLU A 28 -33.793 -9.456 1.171 1.00 9.13 O ATOM 390 CB GLU A 28 -34.359 -11.905 0.098 1.00 10.13 C ATOM 391 CG GLU A 28 -34.922 -13.294 -0.167 1.00 10.77 C ATOM 392 CD GLU A 28 -33.878 -14.379 0.007 1.00 11.21 C ATOM 393 OE1 GLU A 28 -33.073 -14.591 -0.922 1.00 11.40 O ATOM 394 OE2 GLU A 28 -33.866 -15.042 1.067 1.00 11.54 O ATOM 0 H GLU A 28 -36.824 -11.029 -1.538 1.00 9.51 H new ATOM 0 HA GLU A 28 -36.261 -11.013 0.596 1.00 9.33 H new ATOM 0 HB2 GLU A 28 -33.544 -11.714 -0.600 1.00 10.13 H new ATOM 0 HB3 GLU A 28 -33.932 -11.881 1.101 1.00 10.13 H new ATOM 0 HG2 GLU A 28 -35.755 -13.482 0.511 1.00 10.77 H new ATOM 0 HG3 GLU A 28 -35.320 -13.335 -1.181 1.00 10.77 H new ATOM 401 N LYS A 29 -35.456 -8.345 0.135 1.00 8.50 N ATOM 402 CA LYS A 29 -34.979 -7.041 0.591 1.00 8.24 C ATOM 403 C LYS A 29 -35.119 -6.928 2.106 1.00 7.81 C ATOM 404 O LYS A 29 -34.274 -6.327 2.771 1.00 7.74 O ATOM 405 CB LYS A 29 -35.745 -5.880 -0.069 1.00 8.29 C ATOM 406 CG LYS A 29 -35.639 -5.819 -1.587 1.00 8.34 C ATOM 407 CD LYS A 29 -36.667 -6.712 -2.254 1.00 8.62 C ATOM 408 CE LYS A 29 -38.092 -6.239 -1.980 1.00 8.72 C ATOM 409 NZ LYS A 29 -38.510 -5.127 -2.875 1.00 9.11 N ATOM 0 H LYS A 29 -36.296 -8.316 -0.443 1.00 8.50 H new ATOM 0 HA LYS A 29 -33.931 -6.968 0.302 1.00 8.24 H new ATOM 0 HB2 LYS A 29 -36.797 -5.958 0.204 1.00 8.29 H new ATOM 0 HB3 LYS A 29 -35.377 -4.941 0.344 1.00 8.29 H new ATOM 0 HG2 LYS A 29 -35.778 -4.791 -1.921 1.00 8.34 H new ATOM 0 HG3 LYS A 29 -34.638 -6.122 -1.895 1.00 8.34 H new ATOM 0 HD2 LYS A 29 -36.490 -6.729 -3.329 1.00 8.62 H new ATOM 0 HD3 LYS A 29 -36.548 -7.734 -1.895 1.00 8.62 H new ATOM 0 HE2 LYS A 29 -38.778 -7.077 -2.103 1.00 8.72 H new ATOM 0 HE3 LYS A 29 -38.169 -5.914 -0.943 1.00 8.72 H new ATOM 0 HZ1 LYS A 29 -39.527 -4.947 -2.753 1.00 9.11 H new ATOM 0 HZ2 LYS A 29 -37.975 -4.268 -2.635 1.00 9.11 H new ATOM 0 HZ3 LYS A 29 -38.321 -5.387 -3.864 1.00 9.11 H new ATOM 423 N PHE A 30 -36.211 -7.502 2.629 1.00 7.78 N ATOM 424 CA PHE A 30 -36.546 -7.466 4.059 1.00 7.70 C ATOM 425 C PHE A 30 -36.989 -6.064 4.491 1.00 7.44 C ATOM 426 O PHE A 30 -37.972 -5.911 5.213 1.00 7.61 O ATOM 427 CB PHE A 30 -35.374 -7.956 4.921 1.00 7.98 C ATOM 428 CG PHE A 30 -35.714 -8.090 6.373 1.00 8.78 C ATOM 429 CD1 PHE A 30 -36.626 -9.038 6.807 1.00 9.03 C ATOM 430 CD2 PHE A 30 -35.122 -7.256 7.308 1.00 9.49 C ATOM 431 CE1 PHE A 30 -36.943 -9.155 8.148 1.00 9.98 C ATOM 432 CE2 PHE A 30 -35.434 -7.368 8.648 1.00 10.39 C ATOM 433 CZ PHE A 30 -36.341 -8.353 9.068 1.00 10.64 C ATOM 0 H PHE A 30 -36.893 -8.009 2.066 1.00 7.78 H new ATOM 0 HA PHE A 30 -37.383 -8.147 4.214 1.00 7.70 H new ATOM 0 HB2 PHE A 30 -35.036 -8.922 4.545 1.00 7.98 H new ATOM 0 HB3 PHE A 30 -34.540 -7.262 4.814 1.00 7.98 H new ATOM 0 HD1 PHE A 30 -37.095 -9.694 6.089 1.00 9.03 H new ATOM 0 HD2 PHE A 30 -34.410 -6.511 6.985 1.00 9.49 H new ATOM 0 HE1 PHE A 30 -37.671 -9.886 8.467 1.00 9.98 H new ATOM 0 HE2 PHE A 30 -34.983 -6.702 9.369 1.00 10.39 H new ATOM 0 HZ PHE A 30 -36.561 -8.474 10.118 1.00 10.64 H new ATOM 443 N PHE A 31 -36.261 -5.048 4.043 1.00 7.30 N ATOM 444 CA PHE A 31 -36.639 -3.665 4.262 1.00 7.33 C ATOM 445 C PHE A 31 -37.640 -3.247 3.200 1.00 7.51 C ATOM 446 O PHE A 31 -38.229 -2.177 3.275 1.00 7.81 O ATOM 447 CB PHE A 31 -35.409 -2.767 4.207 1.00 7.36 C ATOM 448 CG PHE A 31 -34.400 -3.081 5.275 1.00 7.57 C ATOM 449 CD1 PHE A 31 -34.459 -2.459 6.513 1.00 7.97 C ATOM 450 CD2 PHE A 31 -33.387 -3.992 5.036 1.00 7.70 C ATOM 451 CE1 PHE A 31 -33.525 -2.743 7.491 1.00 8.50 C ATOM 452 CE2 PHE A 31 -32.452 -4.281 6.011 1.00 8.21 C ATOM 453 CZ PHE A 31 -32.546 -3.666 7.262 1.00 8.62 C ATOM 0 H PHE A 31 -35.394 -5.164 3.519 1.00 7.30 H new ATOM 0 HA PHE A 31 -37.093 -3.566 5.248 1.00 7.33 H new ATOM 0 HB2 PHE A 31 -34.937 -2.867 3.230 1.00 7.36 H new ATOM 0 HB3 PHE A 31 -35.721 -1.727 4.305 1.00 7.36 H new ATOM 0 HD1 PHE A 31 -35.244 -1.745 6.715 1.00 7.97 H new ATOM 0 HD2 PHE A 31 -33.326 -4.483 4.076 1.00 7.70 H new ATOM 0 HE1 PHE A 31 -33.570 -2.232 8.441 1.00 8.50 H new ATOM 0 HE2 PHE A 31 -31.653 -4.978 5.807 1.00 8.21 H new ATOM 0 HZ PHE A 31 -31.847 -3.920 8.045 1.00 8.62 H new ATOM 463 N SER A 32 -37.766 -4.107 2.193 1.00 7.60 N ATOM 464 CA SER A 32 -38.797 -4.011 1.158 1.00 8.12 C ATOM 465 C SER A 32 -39.026 -2.583 0.656 1.00 8.57 C ATOM 466 O SER A 32 -40.169 -2.130 0.544 1.00 9.15 O ATOM 467 CB SER A 32 -40.090 -4.607 1.701 1.00 8.65 C ATOM 468 OG SER A 32 -39.874 -5.938 2.149 1.00 9.33 O ATOM 0 H SER A 32 -37.144 -4.906 2.069 1.00 7.60 H new ATOM 0 HA SER A 32 -38.450 -4.573 0.291 1.00 8.12 H new ATOM 0 HB2 SER A 32 -40.462 -3.996 2.523 1.00 8.65 H new ATOM 0 HB3 SER A 32 -40.856 -4.598 0.925 1.00 8.65 H new ATOM 0 HG SER A 32 -40.713 -6.306 2.496 1.00 9.33 H new ATOM 474 N ASP A 33 -37.928 -1.884 0.358 1.00 8.53 N ATOM 475 CA ASP A 33 -37.977 -0.557 -0.269 1.00 9.12 C ATOM 476 C ASP A 33 -38.619 0.487 0.645 1.00 9.48 C ATOM 477 O ASP A 33 -38.999 1.572 0.203 1.00 10.03 O ATOM 478 CB ASP A 33 -38.721 -0.627 -1.608 1.00 9.83 C ATOM 479 CG ASP A 33 -38.002 -1.485 -2.635 1.00 10.39 C ATOM 480 OD1 ASP A 33 -37.739 -2.678 -2.354 1.00 10.68 O ATOM 481 OD2 ASP A 33 -37.689 -0.976 -3.729 1.00 10.73 O ATOM 0 H ASP A 33 -36.982 -2.219 0.543 1.00 8.53 H new ATOM 0 HA ASP A 33 -36.949 -0.243 -0.448 1.00 9.12 H new ATOM 0 HB2 ASP A 33 -39.721 -1.027 -1.443 1.00 9.83 H new ATOM 0 HB3 ASP A 33 -38.843 0.381 -2.004 1.00 9.83 H new ATOM 486 N PHE A 34 -38.721 0.161 1.926 1.00 9.37 N ATOM 487 CA PHE A 34 -39.244 1.093 2.909 1.00 9.94 C ATOM 488 C PHE A 34 -38.159 2.082 3.292 1.00 9.93 C ATOM 489 O PHE A 34 -38.363 3.292 3.268 1.00 10.33 O ATOM 490 CB PHE A 34 -39.746 0.345 4.148 1.00 9.89 C ATOM 491 CG PHE A 34 -40.980 -0.480 3.906 1.00 10.10 C ATOM 492 CD1 PHE A 34 -42.067 0.059 3.242 1.00 10.53 C ATOM 493 CD2 PHE A 34 -41.050 -1.796 4.337 1.00 10.09 C ATOM 494 CE1 PHE A 34 -43.202 -0.691 3.015 1.00 10.95 C ATOM 495 CE2 PHE A 34 -42.184 -2.553 4.114 1.00 10.50 C ATOM 496 CZ PHE A 34 -43.254 -2.013 3.466 1.00 10.92 C ATOM 0 H PHE A 34 -38.447 -0.745 2.307 1.00 9.37 H new ATOM 0 HA PHE A 34 -40.087 1.632 2.476 1.00 9.94 H new ATOM 0 HB2 PHE A 34 -38.952 -0.306 4.513 1.00 9.89 H new ATOM 0 HB3 PHE A 34 -39.954 1.068 4.937 1.00 9.89 H new ATOM 0 HD1 PHE A 34 -42.026 1.081 2.896 1.00 10.53 H new ATOM 0 HD2 PHE A 34 -40.208 -2.234 4.853 1.00 10.09 H new ATOM 0 HE1 PHE A 34 -44.044 -0.260 2.493 1.00 10.95 H new ATOM 0 HE2 PHE A 34 -42.222 -3.577 4.455 1.00 10.50 H new ATOM 0 HZ PHE A 34 -44.142 -2.606 3.301 1.00 10.92 H new ATOM 506 N SER A 35 -36.998 1.551 3.638 1.00 9.65 N ATOM 507 CA SER A 35 -35.838 2.368 3.929 1.00 9.74 C ATOM 508 C SER A 35 -34.658 1.900 3.085 1.00 9.44 C ATOM 509 O SER A 35 -33.635 2.581 2.991 1.00 9.50 O ATOM 510 CB SER A 35 -35.503 2.291 5.421 1.00 10.04 C ATOM 511 OG SER A 35 -34.443 3.168 5.762 1.00 10.16 O ATOM 0 H SER A 35 -36.836 0.548 3.724 1.00 9.65 H new ATOM 0 HA SER A 35 -36.055 3.407 3.681 1.00 9.74 H new ATOM 0 HB2 SER A 35 -36.387 2.542 6.007 1.00 10.04 H new ATOM 0 HB3 SER A 35 -35.229 1.269 5.681 1.00 10.04 H new ATOM 0 HG SER A 35 -33.587 2.752 5.530 1.00 10.16 H new ATOM 517 N ASN A 36 -34.835 0.734 2.452 1.00 9.30 N ATOM 518 CA ASN A 36 -33.800 0.105 1.627 1.00 9.24 C ATOM 519 C ASN A 36 -32.589 -0.296 2.473 1.00 8.77 C ATOM 520 O ASN A 36 -32.408 -1.476 2.768 1.00 8.94 O ATOM 521 CB ASN A 36 -33.379 1.024 0.471 1.00 9.46 C ATOM 522 CG ASN A 36 -34.455 1.155 -0.590 1.00 10.11 C ATOM 523 OD1 ASN A 36 -35.359 1.983 -0.473 1.00 10.51 O ATOM 524 ND2 ASN A 36 -34.354 0.362 -1.646 1.00 10.41 N ATOM 0 H ASN A 36 -35.703 0.200 2.499 1.00 9.30 H new ATOM 0 HA ASN A 36 -34.225 -0.802 1.197 1.00 9.24 H new ATOM 0 HB2 ASN A 36 -33.140 2.012 0.865 1.00 9.46 H new ATOM 0 HB3 ASN A 36 -32.469 0.634 0.015 1.00 9.46 H new ATOM 0 HD21 ASN A 36 -35.040 0.425 -2.399 1.00 10.41 H new ATOM 0 HD22 ASN A 36 -33.591 -0.312 -1.707 1.00 10.41 H new ATOM 531 N ASN A 37 -31.775 0.690 2.861 1.00 8.43 N ATOM 532 CA ASN A 37 -30.597 0.469 3.721 1.00 8.29 C ATOM 533 C ASN A 37 -29.530 -0.377 3.038 1.00 7.88 C ATOM 534 O ASN A 37 -28.479 -0.643 3.626 1.00 7.92 O ATOM 535 CB ASN A 37 -30.991 -0.183 5.057 1.00 8.59 C ATOM 536 CG ASN A 37 -31.605 0.801 6.034 1.00 9.45 C ATOM 537 OD1 ASN A 37 -32.223 1.787 5.640 1.00 9.82 O ATOM 538 ND2 ASN A 37 -31.427 0.547 7.320 1.00 10.00 N ATOM 0 H ASN A 37 -31.909 1.664 2.591 1.00 8.43 H new ATOM 0 HA ASN A 37 -30.176 1.455 3.914 1.00 8.29 H new ATOM 0 HB2 ASN A 37 -31.700 -0.989 4.867 1.00 8.59 H new ATOM 0 HB3 ASN A 37 -30.108 -0.634 5.510 1.00 8.59 H new ATOM 0 HD21 ASN A 37 -31.809 1.180 8.023 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -30.908 -0.282 7.609 1.00 10.00 H new ATOM 545 N MET A 38 -29.799 -0.785 1.791 1.00 7.75 N ATOM 546 CA MET A 38 -28.933 -1.718 1.068 1.00 7.70 C ATOM 547 C MET A 38 -28.838 -3.033 1.839 1.00 7.11 C ATOM 548 O MET A 38 -27.902 -3.811 1.653 1.00 7.09 O ATOM 549 CB MET A 38 -27.533 -1.127 0.863 1.00 8.48 C ATOM 550 CG MET A 38 -27.523 0.164 0.058 1.00 9.45 C ATOM 551 SD MET A 38 -25.874 0.867 -0.105 1.00 10.41 S ATOM 552 CE MET A 38 -25.517 1.281 1.605 1.00 10.82 C ATOM 0 H MET A 38 -30.616 -0.480 1.261 1.00 7.75 H new ATOM 0 HA MET A 38 -29.369 -1.902 0.086 1.00 7.70 H new ATOM 0 HB2 MET A 38 -27.082 -0.940 1.837 1.00 8.48 H new ATOM 0 HB3 MET A 38 -26.908 -1.864 0.358 1.00 8.48 H new ATOM 0 HG2 MET A 38 -27.932 -0.028 -0.934 1.00 9.45 H new ATOM 0 HG3 MET A 38 -28.178 0.891 0.537 1.00 9.45 H new ATOM 0 HE1 MET A 38 -24.721 2.025 1.641 1.00 10.82 H new ATOM 0 HE2 MET A 38 -26.413 1.685 2.076 1.00 10.82 H new ATOM 0 HE3 MET A 38 -25.200 0.385 2.138 1.00 10.82 H new ATOM 562 N GLY A 39 -29.831 -3.285 2.689 1.00 6.94 N ATOM 563 CA GLY A 39 -29.768 -4.422 3.578 1.00 6.72 C ATOM 564 C GLY A 39 -29.012 -4.079 4.844 1.00 6.82 C ATOM 565 O GLY A 39 -29.477 -3.285 5.663 1.00 7.22 O ATOM 0 H GLY A 39 -30.676 -2.720 2.774 1.00 6.94 H new ATOM 0 HA2 GLY A 39 -30.777 -4.748 3.830 1.00 6.72 H new ATOM 0 HA3 GLY A 39 -29.280 -5.256 3.074 1.00 6.72 H new ATOM 569 N SER A 40 -27.836 -4.661 4.983 1.00 6.70 N ATOM 570 CA SER A 40 -26.963 -4.387 6.108 1.00 7.03 C ATOM 571 C SER A 40 -25.614 -5.048 5.881 1.00 6.75 C ATOM 572 O SER A 40 -25.455 -6.253 6.083 1.00 7.15 O ATOM 573 CB SER A 40 -27.583 -4.877 7.421 1.00 7.71 C ATOM 574 OG SER A 40 -28.008 -6.226 7.319 1.00 7.71 O ATOM 0 H SER A 40 -27.459 -5.337 4.319 1.00 6.70 H new ATOM 0 HA SER A 40 -26.827 -3.308 6.186 1.00 7.03 H new ATOM 0 HB2 SER A 40 -26.855 -4.783 8.227 1.00 7.71 H new ATOM 0 HB3 SER A 40 -28.432 -4.245 7.683 1.00 7.71 H new ATOM 0 HG SER A 40 -28.398 -6.512 8.172 1.00 7.71 H new ATOM 580 N ARG A 41 -24.655 -4.268 5.427 1.00 6.32 N ATOM 581 CA ARG A 41 -23.330 -4.786 5.150 1.00 6.15 C ATOM 582 C ARG A 41 -22.566 -4.933 6.457 1.00 6.66 C ATOM 583 O ARG A 41 -22.406 -3.964 7.200 1.00 6.86 O ATOM 584 CB ARG A 41 -22.598 -3.847 4.186 1.00 5.64 C ATOM 585 CG ARG A 41 -23.447 -3.466 2.986 1.00 5.83 C ATOM 586 CD ARG A 41 -22.849 -2.318 2.198 1.00 6.30 C ATOM 587 NE ARG A 41 -21.759 -2.746 1.315 1.00 6.60 N ATOM 588 CZ ARG A 41 -20.675 -2.014 1.058 1.00 7.29 C ATOM 589 NH1 ARG A 41 -20.457 -0.885 1.720 1.00 7.72 N ATOM 590 NH2 ARG A 41 -19.794 -2.415 0.148 1.00 7.82 N ATOM 0 H ARG A 41 -24.768 -3.271 5.242 1.00 6.32 H new ATOM 0 HA ARG A 41 -23.404 -5.766 4.678 1.00 6.15 H new ATOM 0 HB2 ARG A 41 -22.302 -2.943 4.719 1.00 5.64 H new ATOM 0 HB3 ARG A 41 -21.683 -4.328 3.841 1.00 5.64 H new ATOM 0 HG2 ARG A 41 -23.559 -4.332 2.334 1.00 5.83 H new ATOM 0 HG3 ARG A 41 -24.446 -3.190 3.324 1.00 5.83 H new ATOM 0 HD2 ARG A 41 -23.630 -1.846 1.602 1.00 6.30 H new ATOM 0 HD3 ARG A 41 -22.476 -1.563 2.890 1.00 6.30 H new ATOM 0 HE ARG A 41 -21.835 -3.661 0.870 1.00 6.60 H new ATOM 0 HH11 ARG A 41 -21.120 -0.574 2.429 1.00 7.72 H new ATOM 0 HH12 ARG A 41 -19.626 -0.329 1.520 1.00 7.72 H new ATOM 0 HH21 ARG A 41 -19.945 -3.287 -0.358 1.00 7.82 H new ATOM 0 HH22 ARG A 41 -18.966 -1.850 -0.044 1.00 7.82 H new ATOM 604 N LYS A 42 -22.097 -6.142 6.734 1.00 7.18 N ATOM 605 CA LYS A 42 -21.494 -6.456 8.027 1.00 7.95 C ATOM 606 C LYS A 42 -20.023 -6.042 8.072 1.00 7.64 C ATOM 607 O LYS A 42 -19.183 -6.769 8.601 1.00 7.95 O ATOM 608 CB LYS A 42 -21.621 -7.956 8.333 1.00 8.85 C ATOM 609 CG LYS A 42 -23.056 -8.457 8.473 1.00 9.40 C ATOM 610 CD LYS A 42 -23.675 -8.805 7.127 1.00 8.95 C ATOM 611 CE LYS A 42 -25.095 -9.332 7.272 1.00 9.61 C ATOM 612 NZ LYS A 42 -26.037 -8.297 7.774 1.00 9.98 N ATOM 0 H LYS A 42 -22.122 -6.925 6.080 1.00 7.18 H new ATOM 0 HA LYS A 42 -22.033 -5.889 8.786 1.00 7.95 H new ATOM 0 HB2 LYS A 42 -21.130 -8.518 7.539 1.00 8.85 H new ATOM 0 HB3 LYS A 42 -21.083 -8.172 9.256 1.00 8.85 H new ATOM 0 HG2 LYS A 42 -23.071 -9.336 9.117 1.00 9.40 H new ATOM 0 HG3 LYS A 42 -23.660 -7.693 8.963 1.00 9.40 H new ATOM 0 HD2 LYS A 42 -23.680 -7.920 6.491 1.00 8.95 H new ATOM 0 HD3 LYS A 42 -23.060 -9.553 6.628 1.00 8.95 H new ATOM 0 HE2 LYS A 42 -25.444 -9.699 6.306 1.00 9.61 H new ATOM 0 HE3 LYS A 42 -25.096 -10.182 7.955 1.00 9.61 H new ATOM 0 HZ1 LYS A 42 -26.996 -8.502 7.427 1.00 9.98 H new ATOM 0 HZ2 LYS A 42 -26.037 -8.303 8.814 1.00 9.98 H new ATOM 0 HZ3 LYS A 42 -25.738 -7.361 7.433 1.00 9.98 H new ATOM 626 N ASN A 43 -19.736 -4.851 7.536 1.00 7.18 N ATOM 627 CA ASN A 43 -18.368 -4.317 7.464 1.00 6.90 C ATOM 628 C ASN A 43 -17.441 -5.252 6.695 1.00 6.59 C ATOM 629 O ASN A 43 -16.728 -6.066 7.282 1.00 7.32 O ATOM 630 CB ASN A 43 -17.810 -4.024 8.866 1.00 7.86 C ATOM 631 CG ASN A 43 -18.205 -2.648 9.377 1.00 7.89 C ATOM 632 OD1 ASN A 43 -19.198 -2.066 8.934 1.00 7.84 O ATOM 633 ND2 ASN A 43 -17.447 -2.130 10.332 1.00 8.26 N ATOM 0 H ASN A 43 -20.442 -4.230 7.140 1.00 7.18 H new ATOM 0 HA ASN A 43 -18.417 -3.376 6.917 1.00 6.90 H new ATOM 0 HB2 ASN A 43 -18.169 -4.783 9.562 1.00 7.86 H new ATOM 0 HB3 ASN A 43 -16.723 -4.101 8.844 1.00 7.86 H new ATOM 0 HD21 ASN A 43 -17.677 -1.218 10.727 1.00 8.26 H new ATOM 0 HD22 ASN A 43 -16.633 -2.643 10.672 1.00 8.26 H new ATOM 640 N PRO A 44 -17.463 -5.152 5.355 1.00 5.79 N ATOM 641 CA PRO A 44 -16.610 -5.957 4.488 1.00 5.83 C ATOM 642 C PRO A 44 -15.188 -5.398 4.402 1.00 5.83 C ATOM 643 O PRO A 44 -14.925 -4.434 3.683 1.00 6.26 O ATOM 644 CB PRO A 44 -17.333 -5.866 3.144 1.00 5.35 C ATOM 645 CG PRO A 44 -17.949 -4.512 3.149 1.00 4.82 C ATOM 646 CD PRO A 44 -18.337 -4.246 4.577 1.00 5.18 C ATOM 0 HA PRO A 44 -16.476 -6.978 4.844 1.00 5.83 H new ATOM 0 HB2 PRO A 44 -16.640 -5.985 2.311 1.00 5.35 H new ATOM 0 HB3 PRO A 44 -18.088 -6.646 3.045 1.00 5.35 H new ATOM 0 HG2 PRO A 44 -17.246 -3.761 2.788 1.00 4.82 H new ATOM 0 HG3 PRO A 44 -18.819 -4.475 2.494 1.00 4.82 H new ATOM 0 HD2 PRO A 44 -18.174 -3.203 4.848 1.00 5.18 H new ATOM 0 HD3 PRO A 44 -19.391 -4.460 4.752 1.00 5.18 H new ATOM 654 N ASP A 45 -14.280 -5.997 5.154 1.00 5.59 N ATOM 655 CA ASP A 45 -12.923 -5.465 5.266 1.00 5.67 C ATOM 656 C ASP A 45 -11.909 -6.257 4.430 1.00 5.46 C ATOM 657 O ASP A 45 -11.321 -5.709 3.499 1.00 5.44 O ATOM 658 CB ASP A 45 -12.492 -5.415 6.739 1.00 6.26 C ATOM 659 CG ASP A 45 -11.100 -4.837 6.941 1.00 6.73 C ATOM 660 OD1 ASP A 45 -10.965 -3.593 6.977 1.00 7.06 O ATOM 661 OD2 ASP A 45 -10.135 -5.621 7.029 1.00 6.98 O ATOM 0 H ASP A 45 -14.451 -6.845 5.694 1.00 5.59 H new ATOM 0 HA ASP A 45 -12.939 -4.453 4.862 1.00 5.67 H new ATOM 0 HB2 ASP A 45 -13.211 -4.818 7.300 1.00 6.26 H new ATOM 0 HB3 ASP A 45 -12.523 -6.423 7.153 1.00 6.26 H new ATOM 666 N PRO A 46 -11.701 -7.566 4.711 1.00 5.77 N ATOM 667 CA PRO A 46 -10.616 -8.337 4.084 1.00 6.07 C ATOM 668 C PRO A 46 -10.887 -8.704 2.624 1.00 6.28 C ATOM 669 O PRO A 46 -10.121 -9.445 2.012 1.00 6.83 O ATOM 670 CB PRO A 46 -10.534 -9.598 4.944 1.00 6.80 C ATOM 671 CG PRO A 46 -11.913 -9.785 5.470 1.00 6.93 C ATOM 672 CD PRO A 46 -12.488 -8.402 5.645 1.00 6.33 C ATOM 0 HA PRO A 46 -9.694 -7.757 4.047 1.00 6.07 H new ATOM 0 HB2 PRO A 46 -10.214 -10.458 4.356 1.00 6.80 H new ATOM 0 HB3 PRO A 46 -9.814 -9.479 5.754 1.00 6.80 H new ATOM 0 HG2 PRO A 46 -12.517 -10.373 4.779 1.00 6.93 H new ATOM 0 HG3 PRO A 46 -11.898 -10.323 6.418 1.00 6.93 H new ATOM 0 HD2 PRO A 46 -13.551 -8.378 5.403 1.00 6.33 H new ATOM 0 HD3 PRO A 46 -12.387 -8.055 6.673 1.00 6.33 H new ATOM 680 N LEU A 47 -11.971 -8.187 2.063 1.00 6.19 N ATOM 681 CA LEU A 47 -12.293 -8.457 0.668 1.00 6.74 C ATOM 682 C LEU A 47 -12.381 -7.160 -0.127 1.00 6.79 C ATOM 683 O LEU A 47 -12.727 -7.159 -1.306 1.00 7.54 O ATOM 684 CB LEU A 47 -13.575 -9.328 0.517 1.00 7.04 C ATOM 685 CG LEU A 47 -14.926 -8.822 1.103 1.00 7.00 C ATOM 686 CD1 LEU A 47 -14.872 -8.630 2.612 1.00 6.92 C ATOM 687 CD2 LEU A 47 -15.400 -7.551 0.413 1.00 7.53 C ATOM 0 H LEU A 47 -12.637 -7.584 2.546 1.00 6.19 H new ATOM 0 HA LEU A 47 -11.477 -9.047 0.249 1.00 6.74 H new ATOM 0 HB2 LEU A 47 -13.727 -9.501 -0.548 1.00 7.04 H new ATOM 0 HB3 LEU A 47 -13.366 -10.297 0.971 1.00 7.04 H new ATOM 0 HG LEU A 47 -15.656 -9.607 0.904 1.00 7.00 H new ATOM 0 HD11 LEU A 47 -15.839 -8.276 2.969 1.00 6.92 H new ATOM 0 HD12 LEU A 47 -14.634 -9.579 3.091 1.00 6.92 H new ATOM 0 HD13 LEU A 47 -14.104 -7.896 2.858 1.00 6.92 H new ATOM 0 HD21 LEU A 47 -16.345 -7.230 0.851 1.00 7.53 H new ATOM 0 HD22 LEU A 47 -14.655 -6.766 0.544 1.00 7.53 H new ATOM 0 HD23 LEU A 47 -15.540 -7.745 -0.651 1.00 7.53 H new ATOM 699 N ALA A 48 -12.009 -6.063 0.515 1.00 6.28 N ATOM 700 CA ALA A 48 -12.072 -4.751 -0.107 1.00 6.64 C ATOM 701 C ALA A 48 -10.698 -4.366 -0.623 1.00 6.21 C ATOM 702 O ALA A 48 -10.237 -3.244 -0.425 1.00 6.37 O ATOM 703 CB ALA A 48 -12.596 -3.716 0.878 1.00 7.26 C ATOM 0 H ALA A 48 -11.658 -6.057 1.473 1.00 6.28 H new ATOM 0 HA ALA A 48 -12.764 -4.787 -0.948 1.00 6.64 H new ATOM 0 HB1 ALA A 48 -12.636 -2.740 0.394 1.00 7.26 H new ATOM 0 HB2 ALA A 48 -13.596 -3.999 1.206 1.00 7.26 H new ATOM 0 HB3 ALA A 48 -11.932 -3.666 1.741 1.00 7.26 H new ATOM 709 N THR A 49 -10.053 -5.324 -1.290 1.00 5.97 N ATOM 710 CA THR A 49 -8.696 -5.157 -1.795 1.00 5.78 C ATOM 711 C THR A 49 -7.687 -5.178 -0.632 1.00 5.51 C ATOM 712 O THR A 49 -6.492 -4.943 -0.820 1.00 5.78 O ATOM 713 CB THR A 49 -8.577 -3.859 -2.629 1.00 5.98 C ATOM 714 OG1 THR A 49 -9.654 -3.802 -3.580 1.00 6.42 O ATOM 715 CG2 THR A 49 -7.251 -3.786 -3.373 1.00 6.50 C ATOM 0 H THR A 49 -10.460 -6.237 -1.494 1.00 5.97 H new ATOM 0 HA THR A 49 -8.462 -5.992 -2.456 1.00 5.78 H new ATOM 0 HB THR A 49 -8.628 -3.014 -1.942 1.00 5.98 H new ATOM 0 HG1 THR A 49 -9.581 -2.980 -4.108 1.00 6.42 H new ATOM 0 HG21 THR A 49 -7.206 -2.860 -3.947 1.00 6.50 H new ATOM 0 HG22 THR A 49 -6.430 -3.809 -2.656 1.00 6.50 H new ATOM 0 HG23 THR A 49 -7.166 -4.636 -4.049 1.00 6.50 H new ATOM 723 N GLU A 50 -8.203 -5.461 0.572 1.00 5.40 N ATOM 724 CA GLU A 50 -7.388 -5.719 1.767 1.00 5.68 C ATOM 725 C GLU A 50 -6.745 -4.445 2.304 1.00 5.52 C ATOM 726 O GLU A 50 -7.116 -3.949 3.370 1.00 5.73 O ATOM 727 CB GLU A 50 -6.300 -6.755 1.473 1.00 6.30 C ATOM 728 CG GLU A 50 -6.831 -8.124 1.091 1.00 7.02 C ATOM 729 CD GLU A 50 -5.718 -9.084 0.735 1.00 8.02 C ATOM 730 OE1 GLU A 50 -5.080 -9.627 1.658 1.00 8.40 O ATOM 731 OE2 GLU A 50 -5.488 -9.313 -0.473 1.00 8.59 O ATOM 0 H GLU A 50 -9.207 -5.518 0.745 1.00 5.40 H new ATOM 0 HA GLU A 50 -8.062 -6.109 2.529 1.00 5.68 H new ATOM 0 HB2 GLU A 50 -5.670 -6.384 0.665 1.00 6.30 H new ATOM 0 HB3 GLU A 50 -5.664 -6.857 2.352 1.00 6.30 H new ATOM 0 HG2 GLU A 50 -7.411 -8.532 1.919 1.00 7.02 H new ATOM 0 HG3 GLU A 50 -7.510 -8.026 0.244 1.00 7.02 H new ATOM 738 N GLU A 51 -5.776 -3.928 1.560 1.00 5.43 N ATOM 739 CA GLU A 51 -5.050 -2.732 1.954 1.00 5.45 C ATOM 740 C GLU A 51 -5.957 -1.520 1.889 1.00 5.48 C ATOM 741 O GLU A 51 -5.982 -0.698 2.803 1.00 5.85 O ATOM 742 CB GLU A 51 -3.862 -2.515 1.019 1.00 5.47 C ATOM 743 CG GLU A 51 -2.943 -3.716 0.890 1.00 6.03 C ATOM 744 CD GLU A 51 -1.899 -3.521 -0.190 1.00 6.79 C ATOM 745 OE1 GLU A 51 -2.205 -3.777 -1.368 1.00 7.46 O ATOM 746 OE2 GLU A 51 -0.770 -3.099 0.136 1.00 6.93 O ATOM 0 H GLU A 51 -5.474 -4.325 0.671 1.00 5.43 H new ATOM 0 HA GLU A 51 -4.696 -2.864 2.977 1.00 5.45 H new ATOM 0 HB2 GLU A 51 -4.236 -2.250 0.030 1.00 5.47 H new ATOM 0 HB3 GLU A 51 -3.282 -1.665 1.378 1.00 5.47 H new ATOM 0 HG2 GLU A 51 -2.448 -3.897 1.844 1.00 6.03 H new ATOM 0 HG3 GLU A 51 -3.535 -4.603 0.665 1.00 6.03 H new ATOM 753 N VAL A 52 -6.726 -1.449 0.805 1.00 5.42 N ATOM 754 CA VAL A 52 -7.532 -0.277 0.493 1.00 5.86 C ATOM 755 C VAL A 52 -6.626 0.950 0.366 1.00 6.11 C ATOM 756 O VAL A 52 -6.497 1.743 1.301 1.00 6.55 O ATOM 757 CB VAL A 52 -8.632 -0.019 1.549 1.00 6.43 C ATOM 758 CG1 VAL A 52 -9.527 1.135 1.123 1.00 6.99 C ATOM 759 CG2 VAL A 52 -9.460 -1.271 1.796 1.00 6.80 C ATOM 0 H VAL A 52 -6.806 -2.202 0.121 1.00 5.42 H new ATOM 0 HA VAL A 52 -8.037 -0.467 -0.454 1.00 5.86 H new ATOM 0 HB VAL A 52 -8.140 0.251 2.483 1.00 6.43 H new ATOM 0 HG11 VAL A 52 -10.294 1.299 1.880 1.00 6.99 H new ATOM 0 HG12 VAL A 52 -8.927 2.038 1.012 1.00 6.99 H new ATOM 0 HG13 VAL A 52 -10.002 0.895 0.172 1.00 6.99 H new ATOM 0 HG21 VAL A 52 -10.225 -1.060 2.543 1.00 6.80 H new ATOM 0 HG22 VAL A 52 -9.936 -1.581 0.866 1.00 6.80 H new ATOM 0 HG23 VAL A 52 -8.812 -2.070 2.156 1.00 6.80 H new ATOM 769 N PRO A 53 -5.955 1.091 -0.788 1.00 6.09 N ATOM 770 CA PRO A 53 -5.007 2.178 -1.025 1.00 6.51 C ATOM 771 C PRO A 53 -5.688 3.540 -1.029 1.00 6.99 C ATOM 772 O PRO A 53 -6.349 3.911 -2.002 1.00 7.85 O ATOM 773 CB PRO A 53 -4.411 1.869 -2.407 1.00 6.60 C ATOM 774 CG PRO A 53 -4.787 0.454 -2.694 1.00 6.37 C ATOM 775 CD PRO A 53 -6.072 0.210 -1.960 1.00 6.00 C ATOM 0 HA PRO A 53 -4.254 2.232 -0.238 1.00 6.51 H new ATOM 0 HB2 PRO A 53 -4.809 2.543 -3.166 1.00 6.60 H new ATOM 0 HB3 PRO A 53 -3.328 1.995 -2.405 1.00 6.60 H new ATOM 0 HG2 PRO A 53 -4.913 0.293 -3.765 1.00 6.37 H new ATOM 0 HG3 PRO A 53 -4.009 -0.232 -2.358 1.00 6.37 H new ATOM 0 HD2 PRO A 53 -6.939 0.462 -2.570 1.00 6.00 H new ATOM 0 HD3 PRO A 53 -6.179 -0.835 -1.670 1.00 6.00 H new ATOM 783 N ASN A 54 -5.535 4.256 0.081 1.00 6.65 N ATOM 784 CA ASN A 54 -6.095 5.595 0.249 1.00 7.32 C ATOM 785 C ASN A 54 -7.616 5.558 0.262 1.00 7.87 C ATOM 786 O ASN A 54 -8.263 5.669 -0.778 1.00 8.62 O ATOM 787 CB ASN A 54 -5.600 6.561 -0.837 1.00 7.53 C ATOM 788 CG ASN A 54 -4.112 6.852 -0.754 1.00 7.80 C ATOM 789 OD1 ASN A 54 -3.464 7.109 -1.771 1.00 7.76 O ATOM 790 ND2 ASN A 54 -3.555 6.812 0.448 1.00 8.37 N ATOM 0 H ASN A 54 -5.017 3.923 0.894 1.00 6.65 H new ATOM 0 HA ASN A 54 -5.747 5.964 1.213 1.00 7.32 H new ATOM 0 HB2 ASN A 54 -5.826 6.141 -1.817 1.00 7.53 H new ATOM 0 HB3 ASN A 54 -6.151 7.498 -0.757 1.00 7.53 H new ATOM 0 HD21 ASN A 54 -2.558 6.998 0.554 1.00 8.37 H new ATOM 0 HD22 ASN A 54 -4.124 6.596 1.267 1.00 8.37 H new ATOM 797 N GLN A 55 -8.185 5.386 1.448 1.00 7.71 N ATOM 798 CA GLN A 55 -9.631 5.387 1.599 1.00 8.46 C ATOM 799 C GLN A 55 -10.204 6.727 1.161 1.00 8.71 C ATOM 800 O GLN A 55 -11.232 6.787 0.487 1.00 9.31 O ATOM 801 CB GLN A 55 -10.021 5.108 3.049 1.00 9.37 C ATOM 802 CG GLN A 55 -9.624 3.726 3.535 1.00 9.49 C ATOM 803 CD GLN A 55 -10.086 3.463 4.950 1.00 9.90 C ATOM 804 OE1 GLN A 55 -11.198 2.983 5.177 1.00 10.49 O ATOM 805 NE2 GLN A 55 -9.238 3.778 5.916 1.00 9.79 N ATOM 0 H GLN A 55 -7.668 5.245 2.316 1.00 7.71 H new ATOM 0 HA GLN A 55 -10.041 4.598 0.968 1.00 8.46 H new ATOM 0 HB2 GLN A 55 -9.556 5.856 3.691 1.00 9.37 H new ATOM 0 HB3 GLN A 55 -11.100 5.224 3.154 1.00 9.37 H new ATOM 0 HG2 GLN A 55 -10.048 2.973 2.870 1.00 9.49 H new ATOM 0 HG3 GLN A 55 -8.540 3.622 3.483 1.00 9.49 H new ATOM 0 HE21 GLN A 55 -8.326 4.173 5.686 1.00 9.79 H new ATOM 0 HE22 GLN A 55 -9.496 3.625 6.891 1.00 9.79 H new ATOM 814 N GLU A 56 -9.516 7.799 1.541 1.00 8.44 N ATOM 815 CA GLU A 56 -9.917 9.145 1.168 1.00 8.86 C ATOM 816 C GLU A 56 -8.753 9.857 0.491 1.00 8.25 C ATOM 817 O GLU A 56 -7.750 9.223 0.156 1.00 8.21 O ATOM 818 CB GLU A 56 -10.396 9.925 2.403 1.00 9.28 C ATOM 819 CG GLU A 56 -11.614 9.298 3.064 1.00 10.30 C ATOM 820 CD GLU A 56 -12.047 10.021 4.318 1.00 10.82 C ATOM 821 OE1 GLU A 56 -12.861 10.961 4.215 1.00 11.07 O ATOM 822 OE2 GLU A 56 -11.557 9.669 5.413 1.00 11.15 O ATOM 0 H GLU A 56 -8.672 7.757 2.112 1.00 8.44 H new ATOM 0 HA GLU A 56 -10.748 9.090 0.465 1.00 8.86 H new ATOM 0 HB2 GLU A 56 -9.584 9.981 3.128 1.00 9.28 H new ATOM 0 HB3 GLU A 56 -10.634 10.948 2.111 1.00 9.28 H new ATOM 0 HG2 GLU A 56 -12.441 9.289 2.354 1.00 10.30 H new ATOM 0 HG3 GLU A 56 -11.392 8.259 3.309 1.00 10.30 H new ATOM 829 N GLN A 57 -8.889 11.159 0.284 1.00 8.02 N ATOM 830 CA GLN A 57 -7.861 11.928 -0.409 1.00 7.71 C ATOM 831 C GLN A 57 -6.593 12.023 0.424 1.00 6.84 C ATOM 832 O GLN A 57 -6.534 12.782 1.392 1.00 6.77 O ATOM 833 CB GLN A 57 -8.344 13.341 -0.738 1.00 8.64 C ATOM 834 CG GLN A 57 -9.597 13.379 -1.590 1.00 9.62 C ATOM 835 CD GLN A 57 -9.916 14.777 -2.072 1.00 10.46 C ATOM 836 OE1 GLN A 57 -11.079 15.144 -2.235 1.00 10.72 O ATOM 837 NE2 GLN A 57 -8.879 15.563 -2.320 1.00 11.09 N ATOM 0 H GLN A 57 -9.697 11.705 0.584 1.00 8.02 H new ATOM 0 HA GLN A 57 -7.647 11.400 -1.338 1.00 7.71 H new ATOM 0 HB2 GLN A 57 -8.533 13.876 0.193 1.00 8.64 H new ATOM 0 HB3 GLN A 57 -7.548 13.875 -1.256 1.00 8.64 H new ATOM 0 HG2 GLN A 57 -9.471 12.720 -2.449 1.00 9.62 H new ATOM 0 HG3 GLN A 57 -10.438 12.994 -1.014 1.00 9.62 H new ATOM 0 HE21 GLN A 57 -7.931 15.218 -2.171 1.00 11.09 H new ATOM 0 HE22 GLN A 57 -9.029 16.513 -2.660 1.00 11.09 H new ATOM 846 N ILE A 58 -5.589 11.246 0.046 1.00 6.43 N ATOM 847 CA ILE A 58 -4.288 11.308 0.691 1.00 5.79 C ATOM 848 C ILE A 58 -3.221 11.622 -0.352 1.00 5.74 C ATOM 849 O ILE A 58 -2.710 10.728 -1.023 1.00 5.48 O ATOM 850 CB ILE A 58 -3.931 9.985 1.416 1.00 5.36 C ATOM 851 CG1 ILE A 58 -4.999 9.628 2.458 1.00 5.76 C ATOM 852 CG2 ILE A 58 -2.564 10.082 2.080 1.00 5.36 C ATOM 853 CD1 ILE A 58 -5.129 10.644 3.579 1.00 6.29 C ATOM 0 H ILE A 58 -5.652 10.562 -0.708 1.00 6.43 H new ATOM 0 HA ILE A 58 -4.328 12.095 1.444 1.00 5.79 H new ATOM 0 HB ILE A 58 -3.898 9.194 0.667 1.00 5.36 H new ATOM 0 HG12 ILE A 58 -5.962 9.529 1.957 1.00 5.76 H new ATOM 0 HG13 ILE A 58 -4.762 8.655 2.888 1.00 5.76 H new ATOM 0 HG21 ILE A 58 -2.336 9.142 2.582 1.00 5.36 H new ATOM 0 HG22 ILE A 58 -1.805 10.283 1.323 1.00 5.36 H new ATOM 0 HG23 ILE A 58 -2.571 10.891 2.810 1.00 5.36 H new ATOM 0 HD11 ILE A 58 -5.904 10.321 4.275 1.00 6.29 H new ATOM 0 HD12 ILE A 58 -4.179 10.727 4.107 1.00 6.29 H new ATOM 0 HD13 ILE A 58 -5.398 11.614 3.161 1.00 6.29 H new ATOM 865 N PRO A 59 -2.906 12.911 -0.525 1.00 6.40 N ATOM 866 CA PRO A 59 -1.943 13.368 -1.518 1.00 6.85 C ATOM 867 C PRO A 59 -0.505 13.286 -1.008 1.00 6.63 C ATOM 868 O PRO A 59 0.438 13.607 -1.734 1.00 7.28 O ATOM 869 CB PRO A 59 -2.337 14.837 -1.754 1.00 7.95 C ATOM 870 CG PRO A 59 -3.467 15.134 -0.809 1.00 8.02 C ATOM 871 CD PRO A 59 -3.473 14.037 0.217 1.00 7.12 C ATOM 0 HA PRO A 59 -1.968 12.755 -2.419 1.00 6.85 H new ATOM 0 HB2 PRO A 59 -1.492 15.500 -1.568 1.00 7.95 H new ATOM 0 HB3 PRO A 59 -2.644 14.995 -2.788 1.00 7.95 H new ATOM 0 HG2 PRO A 59 -3.330 16.106 -0.335 1.00 8.02 H new ATOM 0 HG3 PRO A 59 -4.417 15.171 -1.342 1.00 8.02 H new ATOM 0 HD2 PRO A 59 -2.872 14.293 1.089 1.00 7.12 H new ATOM 0 HD3 PRO A 59 -4.479 13.822 0.576 1.00 7.12 H new ATOM 879 N GLU A 60 -0.362 12.886 0.261 1.00 5.93 N ATOM 880 CA GLU A 60 0.943 12.749 0.917 1.00 5.88 C ATOM 881 C GLU A 60 1.656 14.100 1.024 1.00 5.80 C ATOM 882 O GLU A 60 2.856 14.157 1.311 1.00 5.92 O ATOM 883 CB GLU A 60 1.824 11.742 0.169 1.00 5.78 C ATOM 884 CG GLU A 60 1.161 10.386 -0.028 1.00 5.71 C ATOM 885 CD GLU A 60 2.087 9.362 -0.656 1.00 6.20 C ATOM 886 OE1 GLU A 60 2.273 9.394 -1.889 1.00 6.44 O ATOM 887 OE2 GLU A 60 2.628 8.515 0.085 1.00 6.61 O ATOM 0 H GLU A 60 -1.150 12.648 0.863 1.00 5.93 H new ATOM 0 HA GLU A 60 0.767 12.377 1.926 1.00 5.88 H new ATOM 0 HB2 GLU A 60 2.087 12.154 -0.805 1.00 5.78 H new ATOM 0 HB3 GLU A 60 2.755 11.606 0.719 1.00 5.78 H new ATOM 0 HG2 GLU A 60 0.815 10.013 0.936 1.00 5.71 H new ATOM 0 HG3 GLU A 60 0.280 10.506 -0.658 1.00 5.71 H new ATOM 894 N GLU A 61 0.892 15.175 0.810 1.00 5.98 N ATOM 895 CA GLU A 61 1.399 16.550 0.849 1.00 6.40 C ATOM 896 C GLU A 61 2.382 16.828 -0.289 1.00 6.67 C ATOM 897 O GLU A 61 2.107 17.640 -1.164 1.00 7.45 O ATOM 898 CB GLU A 61 2.034 16.871 2.206 1.00 6.95 C ATOM 899 CG GLU A 61 1.025 17.214 3.298 1.00 7.52 C ATOM 900 CD GLU A 61 -0.095 16.199 3.430 1.00 8.17 C ATOM 901 OE1 GLU A 61 -1.089 16.309 2.679 1.00 8.32 O ATOM 902 OE2 GLU A 61 0.005 15.297 4.291 1.00 8.72 O ATOM 0 H GLU A 61 -0.105 15.115 0.603 1.00 5.98 H new ATOM 0 HA GLU A 61 0.542 17.209 0.711 1.00 6.40 H new ATOM 0 HB2 GLU A 61 2.627 16.016 2.529 1.00 6.95 H new ATOM 0 HB3 GLU A 61 2.721 17.708 2.085 1.00 6.95 H new ATOM 0 HG2 GLU A 61 1.547 17.293 4.252 1.00 7.52 H new ATOM 0 HG3 GLU A 61 0.594 18.193 3.089 1.00 7.52 H new ATOM 909 N GLY A 62 3.517 16.143 -0.281 1.00 6.22 N ATOM 910 CA GLY A 62 4.504 16.350 -1.321 1.00 6.69 C ATOM 911 C GLY A 62 5.860 16.740 -0.776 1.00 6.92 C ATOM 912 O GLY A 62 6.678 17.326 -1.488 1.00 7.40 O ATOM 0 H GLY A 62 3.771 15.451 0.424 1.00 6.22 H new ATOM 0 HA2 GLY A 62 4.603 15.437 -1.908 1.00 6.69 H new ATOM 0 HA3 GLY A 62 4.153 17.128 -1.999 1.00 6.69 H new ATOM 916 N PHE A 63 6.112 16.408 0.485 1.00 6.81 N ATOM 917 CA PHE A 63 7.409 16.671 1.100 1.00 7.27 C ATOM 918 C PHE A 63 8.291 15.430 1.028 1.00 6.90 C ATOM 919 O PHE A 63 9.218 15.262 1.821 1.00 7.34 O ATOM 920 CB PHE A 63 7.246 17.113 2.560 1.00 8.02 C ATOM 921 CG PHE A 63 6.508 16.132 3.433 1.00 7.85 C ATOM 922 CD1 PHE A 63 5.125 16.179 3.545 1.00 7.70 C ATOM 923 CD2 PHE A 63 7.197 15.154 4.129 1.00 8.09 C ATOM 924 CE1 PHE A 63 4.450 15.270 4.338 1.00 7.74 C ATOM 925 CE2 PHE A 63 6.527 14.246 4.924 1.00 8.21 C ATOM 926 CZ PHE A 63 5.137 14.344 5.063 1.00 8.00 C ATOM 0 H PHE A 63 5.436 15.957 1.102 1.00 6.81 H new ATOM 0 HA PHE A 63 7.886 17.480 0.547 1.00 7.27 H new ATOM 0 HB2 PHE A 63 8.234 17.287 2.986 1.00 8.02 H new ATOM 0 HB3 PHE A 63 6.718 18.066 2.581 1.00 8.02 H new ATOM 0 HD1 PHE A 63 4.571 16.934 3.007 1.00 7.70 H new ATOM 0 HD2 PHE A 63 8.273 15.101 4.049 1.00 8.09 H new ATOM 0 HE1 PHE A 63 3.371 15.294 4.383 1.00 7.74 H new ATOM 0 HE2 PHE A 63 7.071 13.466 5.435 1.00 8.21 H new ATOM 0 HZ PHE A 63 4.612 13.688 5.742 1.00 8.00 H new ATOM 936 N ILE A 64 7.996 14.571 0.060 1.00 6.31 N ATOM 937 CA ILE A 64 8.701 13.308 -0.103 1.00 6.14 C ATOM 938 C ILE A 64 10.174 13.541 -0.419 1.00 6.65 C ATOM 939 O ILE A 64 10.553 13.790 -1.567 1.00 6.98 O ATOM 940 CB ILE A 64 8.059 12.455 -1.220 1.00 5.61 C ATOM 941 CG1 ILE A 64 6.564 12.272 -0.941 1.00 5.10 C ATOM 942 CG2 ILE A 64 8.750 11.103 -1.328 1.00 5.86 C ATOM 943 CD1 ILE A 64 5.797 11.657 -2.093 1.00 5.02 C ATOM 0 H ILE A 64 7.263 14.731 -0.632 1.00 6.31 H new ATOM 0 HA ILE A 64 8.624 12.768 0.841 1.00 6.14 H new ATOM 0 HB ILE A 64 8.180 12.974 -2.171 1.00 5.61 H new ATOM 0 HG12 ILE A 64 6.443 11.643 -0.059 1.00 5.10 H new ATOM 0 HG13 ILE A 64 6.127 13.242 -0.703 1.00 5.10 H new ATOM 0 HG21 ILE A 64 8.283 10.518 -2.120 1.00 5.86 H new ATOM 0 HG22 ILE A 64 9.805 11.251 -1.560 1.00 5.86 H new ATOM 0 HG23 ILE A 64 8.658 10.571 -0.381 1.00 5.86 H new ATOM 0 HD11 ILE A 64 4.746 11.559 -1.820 1.00 5.02 H new ATOM 0 HD12 ILE A 64 5.886 12.296 -2.972 1.00 5.02 H new ATOM 0 HD13 ILE A 64 6.206 10.672 -2.318 1.00 5.02 H new ATOM 955 N HIS A 65 10.989 13.487 0.619 1.00 6.99 N ATOM 956 CA HIS A 65 12.415 13.716 0.485 1.00 7.71 C ATOM 957 C HIS A 65 13.102 12.441 -0.003 1.00 7.41 C ATOM 958 O HIS A 65 12.942 11.380 0.594 1.00 7.99 O ATOM 959 CB HIS A 65 13.019 14.198 1.818 1.00 8.57 C ATOM 960 CG HIS A 65 12.989 13.188 2.937 1.00 9.17 C ATOM 961 ND1 HIS A 65 14.039 13.003 3.802 1.00 9.64 N ATOM 962 CD2 HIS A 65 12.027 12.317 3.334 1.00 9.60 C ATOM 963 CE1 HIS A 65 13.739 12.056 4.669 1.00 10.31 C ATOM 964 NE2 HIS A 65 12.520 11.621 4.409 1.00 10.28 N ATOM 0 H HIS A 65 10.684 13.285 1.571 1.00 6.99 H new ATOM 0 HA HIS A 65 12.579 14.501 -0.253 1.00 7.71 H new ATOM 0 HB2 HIS A 65 14.054 14.494 1.644 1.00 8.57 H new ATOM 0 HB3 HIS A 65 12.482 15.090 2.140 1.00 8.57 H new ATOM 0 HD2 HIS A 65 11.052 12.194 2.886 1.00 9.60 H new ATOM 0 HE1 HIS A 65 14.382 11.697 5.459 1.00 10.31 H new ATOM 0 HE2 HIS A 65 12.027 10.890 4.922 1.00 10.28 H new ATOM 973 N THR A 66 13.854 12.542 -1.093 1.00 6.67 N ATOM 974 CA THR A 66 14.488 11.366 -1.687 1.00 6.47 C ATOM 975 C THR A 66 15.281 11.716 -2.950 1.00 6.60 C ATOM 976 O THR A 66 16.252 11.035 -3.277 1.00 6.62 O ATOM 977 CB THR A 66 13.444 10.266 -2.006 1.00 6.64 C ATOM 978 OG1 THR A 66 14.090 9.086 -2.502 1.00 7.18 O ATOM 979 CG2 THR A 66 12.410 10.752 -3.016 1.00 6.82 C ATOM 0 H THR A 66 14.040 13.418 -1.582 1.00 6.67 H new ATOM 0 HA THR A 66 15.189 10.982 -0.945 1.00 6.47 H new ATOM 0 HB THR A 66 12.927 10.028 -1.076 1.00 6.64 H new ATOM 0 HG1 THR A 66 15.015 9.298 -2.748 1.00 7.18 H new ATOM 0 HG21 THR A 66 11.694 9.955 -3.216 1.00 6.82 H new ATOM 0 HG22 THR A 66 11.886 11.618 -2.612 1.00 6.82 H new ATOM 0 HG23 THR A 66 12.910 11.031 -3.943 1.00 6.82 H new ATOM 987 N GLN A 67 14.890 12.787 -3.642 1.00 6.89 N ATOM 988 CA GLN A 67 15.577 13.197 -4.867 1.00 7.37 C ATOM 989 C GLN A 67 17.032 13.567 -4.583 1.00 7.24 C ATOM 990 O GLN A 67 17.897 13.425 -5.447 1.00 7.66 O ATOM 991 CB GLN A 67 14.842 14.364 -5.535 1.00 8.01 C ATOM 992 CG GLN A 67 13.446 14.003 -6.033 1.00 8.35 C ATOM 993 CD GLN A 67 13.450 12.977 -7.158 1.00 9.02 C ATOM 994 OE1 GLN A 67 14.338 12.130 -7.253 1.00 9.58 O ATOM 995 NE2 GLN A 67 12.455 13.046 -8.027 1.00 9.24 N ATOM 0 H GLN A 67 14.106 13.383 -3.377 1.00 6.89 H new ATOM 0 HA GLN A 67 15.573 12.351 -5.554 1.00 7.37 H new ATOM 0 HB2 GLN A 67 14.763 15.187 -4.825 1.00 8.01 H new ATOM 0 HB3 GLN A 67 15.436 14.723 -6.375 1.00 8.01 H new ATOM 0 HG2 GLN A 67 12.861 13.615 -5.200 1.00 8.35 H new ATOM 0 HG3 GLN A 67 12.947 14.908 -6.379 1.00 8.35 H new ATOM 0 HE21 GLN A 67 11.734 13.760 -7.921 1.00 9.24 H new ATOM 0 HE22 GLN A 67 12.409 12.386 -8.803 1.00 9.24 H new ATOM 1004 N TYR A 68 17.286 14.056 -3.379 1.00 6.89 N ATOM 1005 CA TYR A 68 18.648 14.283 -2.915 1.00 7.01 C ATOM 1006 C TYR A 68 18.908 13.406 -1.692 1.00 6.55 C ATOM 1007 O TYR A 68 20.025 13.322 -1.184 1.00 6.81 O ATOM 1008 CB TYR A 68 18.864 15.766 -2.582 1.00 7.18 C ATOM 1009 CG TYR A 68 20.324 16.183 -2.529 1.00 7.77 C ATOM 1010 CD1 TYR A 68 21.021 16.482 -3.693 1.00 8.17 C ATOM 1011 CD2 TYR A 68 20.999 16.283 -1.318 1.00 8.20 C ATOM 1012 CE1 TYR A 68 22.351 16.858 -3.654 1.00 8.94 C ATOM 1013 CE2 TYR A 68 22.332 16.658 -1.271 1.00 8.96 C ATOM 1014 CZ TYR A 68 23.002 16.950 -2.442 1.00 9.31 C ATOM 1015 OH TYR A 68 24.330 17.326 -2.402 1.00 10.22 O ATOM 0 H TYR A 68 16.564 14.304 -2.702 1.00 6.89 H new ATOM 0 HA TYR A 68 19.352 14.017 -3.704 1.00 7.01 H new ATOM 0 HB2 TYR A 68 18.351 16.373 -3.327 1.00 7.18 H new ATOM 0 HB3 TYR A 68 18.400 15.983 -1.620 1.00 7.18 H new ATOM 0 HD1 TYR A 68 20.515 16.420 -4.645 1.00 8.17 H new ATOM 0 HD2 TYR A 68 20.476 16.065 -0.399 1.00 8.20 H new ATOM 0 HE1 TYR A 68 22.878 17.079 -4.570 1.00 8.94 H new ATOM 0 HE2 TYR A 68 22.845 16.722 -0.322 1.00 8.96 H new ATOM 0 HH TYR A 68 24.637 17.343 -1.472 1.00 10.22 H new ATOM 1025 N GLY A 69 17.850 12.748 -1.235 1.00 6.15 N ATOM 1026 CA GLY A 69 17.937 11.891 -0.071 1.00 6.07 C ATOM 1027 C GLY A 69 18.605 10.572 -0.377 1.00 5.90 C ATOM 1028 O GLY A 69 19.319 10.010 0.457 1.00 5.61 O ATOM 0 H GLY A 69 16.923 12.795 -1.657 1.00 6.15 H new ATOM 0 HA2 GLY A 69 18.493 12.404 0.714 1.00 6.07 H new ATOM 0 HA3 GLY A 69 16.935 11.707 0.317 1.00 6.07 H new ATOM 1032 N GLN A 70 18.354 10.066 -1.575 1.00 6.45 N ATOM 1033 CA GLN A 70 18.954 8.819 -2.018 1.00 6.69 C ATOM 1034 C GLN A 70 19.853 9.065 -3.217 1.00 6.71 C ATOM 1035 O GLN A 70 19.395 9.098 -4.358 1.00 7.25 O ATOM 1036 CB GLN A 70 17.876 7.784 -2.358 1.00 7.70 C ATOM 1037 CG GLN A 70 17.037 7.366 -1.163 1.00 8.32 C ATOM 1038 CD GLN A 70 16.103 6.218 -1.482 1.00 9.06 C ATOM 1039 OE1 GLN A 70 16.467 5.051 -1.341 1.00 9.52 O ATOM 1040 NE2 GLN A 70 14.894 6.536 -1.913 1.00 9.42 N ATOM 0 H GLN A 70 17.736 10.503 -2.259 1.00 6.45 H new ATOM 0 HA GLN A 70 19.559 8.421 -1.203 1.00 6.69 H new ATOM 0 HB2 GLN A 70 17.220 8.193 -3.126 1.00 7.70 H new ATOM 0 HB3 GLN A 70 18.353 6.901 -2.783 1.00 7.70 H new ATOM 0 HG2 GLN A 70 17.696 7.077 -0.344 1.00 8.32 H new ATOM 0 HG3 GLN A 70 16.454 8.219 -0.817 1.00 8.32 H new ATOM 0 HE21 GLN A 70 14.631 7.516 -2.016 1.00 9.42 H new ATOM 0 HE22 GLN A 70 14.225 5.801 -2.142 1.00 9.42 H new ATOM 1049 N LYS A 71 21.132 9.274 -2.949 1.00 6.35 N ATOM 1050 CA LYS A 71 22.109 9.493 -4.000 1.00 6.54 C ATOM 1051 C LYS A 71 23.150 8.374 -4.020 1.00 6.34 C ATOM 1052 O LYS A 71 24.133 8.406 -3.287 1.00 6.36 O ATOM 1053 CB LYS A 71 22.770 10.874 -3.846 1.00 6.82 C ATOM 1054 CG LYS A 71 22.762 11.434 -2.419 1.00 6.50 C ATOM 1055 CD LYS A 71 23.660 10.643 -1.486 1.00 6.36 C ATOM 1056 CE LYS A 71 25.129 10.875 -1.795 1.00 6.74 C ATOM 1057 NZ LYS A 71 25.993 9.855 -1.151 1.00 6.51 N ATOM 0 H LYS A 71 21.518 9.296 -2.005 1.00 6.35 H new ATOM 0 HA LYS A 71 21.592 9.476 -4.959 1.00 6.54 H new ATOM 0 HB2 LYS A 71 23.802 10.808 -4.190 1.00 6.82 H new ATOM 0 HB3 LYS A 71 22.261 11.580 -4.502 1.00 6.82 H new ATOM 0 HG2 LYS A 71 23.087 12.474 -2.437 1.00 6.50 H new ATOM 0 HG3 LYS A 71 21.743 11.425 -2.033 1.00 6.50 H new ATOM 0 HD2 LYS A 71 23.455 10.928 -0.454 1.00 6.36 H new ATOM 0 HD3 LYS A 71 23.432 9.581 -1.574 1.00 6.36 H new ATOM 0 HE2 LYS A 71 25.282 10.853 -2.874 1.00 6.74 H new ATOM 0 HE3 LYS A 71 25.421 11.868 -1.452 1.00 6.74 H new ATOM 0 HZ1 LYS A 71 26.802 10.323 -0.695 1.00 6.51 H new ATOM 0 HZ2 LYS A 71 25.444 9.337 -0.435 1.00 6.51 H new ATOM 0 HZ3 LYS A 71 26.339 9.189 -1.871 1.00 6.51 H new ATOM 1071 N PRO A 72 22.936 7.355 -4.857 1.00 6.47 N ATOM 1072 CA PRO A 72 23.838 6.209 -4.963 1.00 6.58 C ATOM 1073 C PRO A 72 25.067 6.531 -5.808 1.00 6.47 C ATOM 1074 O PRO A 72 25.923 5.675 -6.036 1.00 6.74 O ATOM 1075 CB PRO A 72 22.980 5.129 -5.647 1.00 7.14 C ATOM 1076 CG PRO A 72 21.613 5.726 -5.792 1.00 7.24 C ATOM 1077 CD PRO A 72 21.796 7.214 -5.760 1.00 6.89 C ATOM 0 HA PRO A 72 24.225 5.901 -3.992 1.00 6.58 H new ATOM 0 HB2 PRO A 72 23.394 4.858 -6.618 1.00 7.14 H new ATOM 0 HB3 PRO A 72 22.948 4.218 -5.049 1.00 7.14 H new ATOM 0 HG2 PRO A 72 21.149 5.412 -6.727 1.00 7.24 H new ATOM 0 HG3 PRO A 72 20.958 5.398 -4.985 1.00 7.24 H new ATOM 0 HD2 PRO A 72 22.005 7.622 -6.749 1.00 6.89 H new ATOM 0 HD3 PRO A 72 20.911 7.727 -5.384 1.00 6.89 H new ATOM 1085 N GLU A 73 25.146 7.772 -6.265 1.00 6.33 N ATOM 1086 CA GLU A 73 26.235 8.201 -7.125 1.00 6.45 C ATOM 1087 C GLU A 73 27.398 8.736 -6.291 1.00 6.01 C ATOM 1088 O GLU A 73 27.542 9.946 -6.107 1.00 5.68 O ATOM 1089 CB GLU A 73 25.760 9.286 -8.096 1.00 6.92 C ATOM 1090 CG GLU A 73 24.375 9.037 -8.675 1.00 7.38 C ATOM 1091 CD GLU A 73 24.252 7.708 -9.395 1.00 7.92 C ATOM 1092 OE1 GLU A 73 24.921 7.523 -10.435 1.00 8.11 O ATOM 1093 OE2 GLU A 73 23.460 6.861 -8.941 1.00 8.39 O ATOM 0 H GLU A 73 24.465 8.501 -6.053 1.00 6.33 H new ATOM 0 HA GLU A 73 26.573 7.336 -7.696 1.00 6.45 H new ATOM 0 HB2 GLU A 73 25.759 10.246 -7.580 1.00 6.92 H new ATOM 0 HB3 GLU A 73 26.476 9.365 -8.914 1.00 6.92 H new ATOM 0 HG2 GLU A 73 23.641 9.075 -7.870 1.00 7.38 H new ATOM 0 HG3 GLU A 73 24.129 9.841 -9.368 1.00 7.38 H new ATOM 1100 N GLN A 74 28.194 7.827 -5.755 1.00 6.31 N ATOM 1101 CA GLN A 74 29.399 8.203 -5.024 1.00 6.22 C ATOM 1102 C GLN A 74 30.530 8.619 -5.977 1.00 6.34 C ATOM 1103 O GLN A 74 31.080 9.713 -5.836 1.00 6.32 O ATOM 1104 CB GLN A 74 29.868 7.063 -4.112 1.00 6.38 C ATOM 1105 CG GLN A 74 29.181 7.016 -2.750 1.00 6.83 C ATOM 1106 CD GLN A 74 27.675 6.858 -2.838 1.00 7.20 C ATOM 1107 OE1 GLN A 74 26.934 7.842 -2.853 1.00 7.16 O ATOM 1108 NE2 GLN A 74 27.214 5.622 -2.901 1.00 7.82 N ATOM 0 H GLN A 74 28.030 6.822 -5.811 1.00 6.31 H new ATOM 0 HA GLN A 74 29.145 9.063 -4.404 1.00 6.22 H new ATOM 0 HB2 GLN A 74 29.700 6.115 -4.622 1.00 6.38 H new ATOM 0 HB3 GLN A 74 30.943 7.156 -3.959 1.00 6.38 H new ATOM 0 HG2 GLN A 74 29.592 6.188 -2.173 1.00 6.83 H new ATOM 0 HG3 GLN A 74 29.411 7.931 -2.204 1.00 6.83 H new ATOM 0 HE21 GLN A 74 27.862 4.835 -2.886 1.00 7.82 H new ATOM 0 HE22 GLN A 74 26.210 5.455 -2.965 1.00 7.82 H new ATOM 1117 N PRO A 75 30.888 7.777 -6.977 1.00 6.73 N ATOM 1118 CA PRO A 75 32.019 8.059 -7.870 1.00 7.11 C ATOM 1119 C PRO A 75 31.652 9.002 -9.016 1.00 7.12 C ATOM 1120 O PRO A 75 31.961 8.730 -10.177 1.00 7.46 O ATOM 1121 CB PRO A 75 32.372 6.674 -8.411 1.00 7.79 C ATOM 1122 CG PRO A 75 31.078 5.944 -8.449 1.00 7.64 C ATOM 1123 CD PRO A 75 30.238 6.495 -7.324 1.00 7.09 C ATOM 0 HA PRO A 75 32.835 8.563 -7.351 1.00 7.11 H new ATOM 0 HB2 PRO A 75 32.820 6.738 -9.403 1.00 7.79 H new ATOM 0 HB3 PRO A 75 33.093 6.169 -7.768 1.00 7.79 H new ATOM 0 HG2 PRO A 75 30.581 6.086 -9.409 1.00 7.64 H new ATOM 0 HG3 PRO A 75 31.234 4.872 -8.327 1.00 7.64 H new ATOM 0 HD2 PRO A 75 29.204 6.645 -7.636 1.00 7.09 H new ATOM 0 HD3 PRO A 75 30.219 5.815 -6.472 1.00 7.09 H new ATOM 1131 N SER A 76 31.000 10.111 -8.682 1.00 7.00 N ATOM 1132 CA SER A 76 30.592 11.100 -9.671 1.00 7.24 C ATOM 1133 C SER A 76 31.796 11.606 -10.469 1.00 7.24 C ATOM 1134 O SER A 76 31.763 11.650 -11.697 1.00 7.02 O ATOM 1135 CB SER A 76 29.887 12.265 -8.969 1.00 7.66 C ATOM 1136 OG SER A 76 28.886 11.785 -8.087 1.00 7.89 O ATOM 0 H SER A 76 30.741 10.348 -7.724 1.00 7.00 H new ATOM 0 HA SER A 76 29.902 10.631 -10.372 1.00 7.24 H new ATOM 0 HB2 SER A 76 30.615 12.856 -8.414 1.00 7.66 H new ATOM 0 HB3 SER A 76 29.439 12.926 -9.711 1.00 7.66 H new ATOM 0 HG SER A 76 28.448 12.543 -7.646 1.00 7.89 H new ATOM 1142 N GLY A 77 32.855 11.977 -9.764 1.00 7.81 N ATOM 1143 CA GLY A 77 34.077 12.405 -10.419 1.00 8.19 C ATOM 1144 C GLY A 77 35.259 11.599 -9.939 1.00 8.67 C ATOM 1145 O GLY A 77 36.051 12.066 -9.115 1.00 9.39 O ATOM 0 H GLY A 77 32.891 11.990 -8.745 1.00 7.81 H new ATOM 0 HA2 GLY A 77 33.972 12.296 -11.499 1.00 8.19 H new ATOM 0 HA3 GLY A 77 34.249 13.463 -10.220 1.00 8.19 H new ATOM 1149 N ALA A 78 35.385 10.379 -10.446 1.00 8.46 N ATOM 1150 CA ALA A 78 36.400 9.454 -9.960 1.00 9.08 C ATOM 1151 C ALA A 78 37.764 9.707 -10.591 1.00 9.03 C ATOM 1152 O ALA A 78 38.147 9.051 -11.564 1.00 8.98 O ATOM 1153 CB ALA A 78 35.973 8.014 -10.189 1.00 9.36 C ATOM 0 H ALA A 78 34.798 10.008 -11.193 1.00 8.46 H new ATOM 0 HA ALA A 78 36.499 9.629 -8.889 1.00 9.08 H new ATOM 0 HB1 ALA A 78 36.747 7.342 -9.818 1.00 9.36 H new ATOM 0 HB2 ALA A 78 35.041 7.822 -9.658 1.00 9.36 H new ATOM 0 HB3 ALA A 78 35.825 7.844 -11.255 1.00 9.36 H new ATOM 1159 N SER A 79 38.483 10.684 -10.046 1.00 9.25 N ATOM 1160 CA SER A 79 39.880 10.941 -10.407 1.00 9.45 C ATOM 1161 C SER A 79 40.045 11.322 -11.886 1.00 9.58 C ATOM 1162 O SER A 79 39.064 11.599 -12.578 1.00 9.90 O ATOM 1163 CB SER A 79 40.719 9.708 -10.085 1.00 9.59 C ATOM 1164 OG SER A 79 40.560 9.333 -8.728 1.00 9.83 O ATOM 0 H SER A 79 38.116 11.323 -9.340 1.00 9.25 H new ATOM 0 HA SER A 79 40.223 11.794 -9.821 1.00 9.45 H new ATOM 0 HB2 SER A 79 40.424 8.882 -10.732 1.00 9.59 H new ATOM 0 HB3 SER A 79 41.770 9.914 -10.290 1.00 9.59 H new ATOM 0 HG SER A 79 39.925 8.589 -8.666 1.00 9.83 H new ATOM 1170 N ALA A 80 41.300 11.348 -12.351 1.00 9.56 N ATOM 1171 CA ALA A 80 41.607 11.661 -13.746 1.00 9.88 C ATOM 1172 C ALA A 80 43.083 11.399 -14.034 1.00 9.90 C ATOM 1173 O ALA A 80 43.452 10.324 -14.506 1.00 10.21 O ATOM 1174 CB ALA A 80 41.241 13.110 -14.076 1.00 10.43 C ATOM 0 H ALA A 80 42.120 11.155 -11.776 1.00 9.56 H new ATOM 0 HA ALA A 80 41.007 11.011 -14.383 1.00 9.88 H new ATOM 0 HB1 ALA A 80 41.479 13.317 -15.119 1.00 10.43 H new ATOM 0 HB2 ALA A 80 40.175 13.263 -13.910 1.00 10.43 H new ATOM 0 HB3 ALA A 80 41.808 13.784 -13.434 1.00 10.43 H new ATOM 1180 N GLY A 81 43.933 12.356 -13.681 1.00 9.80 N ATOM 1181 CA GLY A 81 45.343 12.262 -14.010 1.00 10.04 C ATOM 1182 C GLY A 81 46.148 11.408 -13.045 1.00 10.12 C ATOM 1183 O GLY A 81 47.337 11.650 -12.864 1.00 10.38 O ATOM 0 H GLY A 81 43.669 13.199 -13.171 1.00 9.80 H new ATOM 0 HA2 GLY A 81 45.444 11.851 -15.014 1.00 10.04 H new ATOM 0 HA3 GLY A 81 45.768 13.266 -14.032 1.00 10.04 H new ATOM 1187 N HIS A 82 45.507 10.420 -12.417 1.00 10.09 N ATOM 1188 CA HIS A 82 46.212 9.450 -11.560 1.00 10.32 C ATOM 1189 C HIS A 82 47.022 10.123 -10.444 1.00 10.96 C ATOM 1190 O HIS A 82 48.108 9.668 -10.102 1.00 11.19 O ATOM 1191 CB HIS A 82 47.144 8.593 -12.416 1.00 10.38 C ATOM 1192 CG HIS A 82 46.438 7.630 -13.322 1.00 10.29 C ATOM 1193 ND1 HIS A 82 46.127 7.930 -14.627 1.00 10.66 N ATOM 1194 CD2 HIS A 82 46.003 6.362 -13.119 1.00 10.14 C ATOM 1195 CE1 HIS A 82 45.528 6.900 -15.184 1.00 10.73 C ATOM 1196 NE2 HIS A 82 45.440 5.929 -14.296 1.00 10.43 N ATOM 0 H HIS A 82 44.501 10.266 -12.483 1.00 10.09 H new ATOM 0 HA HIS A 82 45.452 8.832 -11.082 1.00 10.32 H new ATOM 0 HB2 HIS A 82 47.770 9.250 -13.020 1.00 10.38 H new ATOM 0 HB3 HIS A 82 47.810 8.034 -11.759 1.00 10.38 H new ATOM 0 HD2 HIS A 82 46.084 5.797 -12.202 1.00 10.14 H new ATOM 0 HE1 HIS A 82 45.168 6.857 -16.201 1.00 10.73 H new ATOM 0 HE2 HIS A 82 45.024 5.011 -14.456 1.00 10.43 H new ATOM 1205 N ARG A 83 46.466 11.175 -9.851 1.00 11.41 N ATOM 1206 CA ARG A 83 47.149 11.926 -8.789 1.00 12.20 C ATOM 1207 C ARG A 83 47.119 11.184 -7.442 1.00 12.66 C ATOM 1208 O ARG A 83 47.170 11.805 -6.382 1.00 12.79 O ATOM 1209 CB ARG A 83 46.551 13.343 -8.634 1.00 12.48 C ATOM 1210 CG ARG A 83 45.031 13.429 -8.533 1.00 12.24 C ATOM 1211 CD ARG A 83 44.373 13.214 -9.885 1.00 12.18 C ATOM 1212 NE ARG A 83 43.514 14.326 -10.284 1.00 12.92 N ATOM 1213 CZ ARG A 83 43.737 15.101 -11.351 1.00 13.33 C ATOM 1214 NH1 ARG A 83 44.873 15.014 -12.034 1.00 13.12 N ATOM 1215 NH2 ARG A 83 42.830 15.993 -11.712 1.00 14.12 N ATOM 0 H ARG A 83 45.540 11.532 -10.086 1.00 11.41 H new ATOM 0 HA ARG A 83 48.192 12.018 -9.092 1.00 12.20 H new ATOM 0 HB2 ARG A 83 46.979 13.799 -7.741 1.00 12.48 H new ATOM 0 HB3 ARG A 83 46.872 13.944 -9.485 1.00 12.48 H new ATOM 0 HG2 ARG A 83 44.669 12.681 -7.827 1.00 12.24 H new ATOM 0 HG3 ARG A 83 44.746 14.404 -8.139 1.00 12.24 H new ATOM 0 HD2 ARG A 83 45.146 13.070 -10.640 1.00 12.18 H new ATOM 0 HD3 ARG A 83 43.782 12.298 -9.854 1.00 12.18 H new ATOM 0 HE ARG A 83 42.692 14.524 -9.713 1.00 12.92 H new ATOM 0 HH11 ARG A 83 45.591 14.349 -11.747 1.00 13.12 H new ATOM 0 HH12 ARG A 83 45.027 15.612 -12.846 1.00 13.12 H new ATOM 0 HH21 ARG A 83 41.966 16.087 -11.178 1.00 14.12 H new ATOM 0 HH22 ARG A 83 42.994 16.587 -12.525 1.00 14.12 H new ATOM 1229 N PHE A 84 47.064 9.851 -7.512 1.00 13.06 N ATOM 1230 CA PHE A 84 47.017 8.986 -6.324 1.00 13.61 C ATOM 1231 C PHE A 84 45.986 9.444 -5.274 1.00 14.10 C ATOM 1232 O PHE A 84 46.252 9.349 -4.078 1.00 14.50 O ATOM 1233 CB PHE A 84 48.405 8.928 -5.676 1.00 14.25 C ATOM 1234 CG PHE A 84 49.463 8.334 -6.561 1.00 14.22 C ATOM 1235 CD1 PHE A 84 49.668 6.965 -6.603 1.00 14.39 C ATOM 1236 CD2 PHE A 84 50.252 9.146 -7.351 1.00 14.17 C ATOM 1237 CE1 PHE A 84 50.640 6.418 -7.419 1.00 14.57 C ATOM 1238 CE2 PHE A 84 51.226 8.608 -8.173 1.00 14.34 C ATOM 1239 CZ PHE A 84 51.423 7.228 -8.193 1.00 14.57 C ATOM 0 H PHE A 84 47.051 9.338 -8.394 1.00 13.06 H new ATOM 0 HA PHE A 84 46.705 8.000 -6.668 1.00 13.61 H new ATOM 0 HB2 PHE A 84 48.706 9.937 -5.393 1.00 14.25 H new ATOM 0 HB3 PHE A 84 48.343 8.344 -4.758 1.00 14.25 H new ATOM 0 HD1 PHE A 84 49.060 6.316 -5.990 1.00 14.39 H new ATOM 0 HD2 PHE A 84 50.107 10.216 -7.327 1.00 14.17 H new ATOM 0 HE1 PHE A 84 50.781 5.348 -7.445 1.00 14.57 H new ATOM 0 HE2 PHE A 84 51.830 9.253 -8.795 1.00 14.34 H new ATOM 0 HZ PHE A 84 52.192 6.800 -8.819 1.00 14.57 H new ATOM 1249 N PRO A 85 44.778 9.887 -5.678 1.00 14.25 N ATOM 1250 CA PRO A 85 43.829 10.478 -4.743 1.00 14.89 C ATOM 1251 C PRO A 85 42.973 9.429 -4.043 1.00 14.90 C ATOM 1252 O PRO A 85 42.175 9.754 -3.167 1.00 15.47 O ATOM 1253 CB PRO A 85 42.983 11.370 -5.643 1.00 14.92 C ATOM 1254 CG PRO A 85 43.002 10.711 -6.983 1.00 14.53 C ATOM 1255 CD PRO A 85 44.221 9.819 -7.036 1.00 14.02 C ATOM 0 HA PRO A 85 44.319 11.013 -3.930 1.00 14.89 H new ATOM 0 HB2 PRO A 85 41.965 11.459 -5.263 1.00 14.92 H new ATOM 0 HB3 PRO A 85 43.393 12.378 -5.695 1.00 14.92 H new ATOM 0 HG2 PRO A 85 42.094 10.128 -7.136 1.00 14.53 H new ATOM 0 HG3 PRO A 85 43.039 11.457 -7.776 1.00 14.53 H new ATOM 0 HD2 PRO A 85 43.955 8.797 -7.306 1.00 14.02 H new ATOM 0 HD3 PRO A 85 44.938 10.169 -7.778 1.00 14.02 H new ATOM 1263 N GLN A 86 43.138 8.168 -4.435 1.00 14.42 N ATOM 1264 CA GLN A 86 42.419 7.072 -3.788 1.00 14.58 C ATOM 1265 C GLN A 86 43.349 6.324 -2.849 1.00 14.98 C ATOM 1266 O GLN A 86 42.929 5.798 -1.819 1.00 15.51 O ATOM 1267 CB GLN A 86 41.857 6.057 -4.800 1.00 13.80 C ATOM 1268 CG GLN A 86 41.465 6.622 -6.158 1.00 13.24 C ATOM 1269 CD GLN A 86 42.645 6.740 -7.106 1.00 12.42 C ATOM 1270 OE1 GLN A 86 43.652 6.051 -6.958 1.00 12.34 O ATOM 1271 NE2 GLN A 86 42.517 7.576 -8.122 1.00 11.97 N ATOM 0 H GLN A 86 43.758 7.880 -5.192 1.00 14.42 H new ATOM 0 HA GLN A 86 41.588 7.524 -3.247 1.00 14.58 H new ATOM 0 HB2 GLN A 86 42.602 5.276 -4.954 1.00 13.80 H new ATOM 0 HB3 GLN A 86 40.981 5.580 -4.360 1.00 13.80 H new ATOM 0 HG2 GLN A 86 40.705 5.982 -6.608 1.00 13.24 H new ATOM 0 HG3 GLN A 86 41.014 7.605 -6.022 1.00 13.24 H new ATOM 0 HE21 GLN A 86 41.669 8.135 -8.219 1.00 11.97 H new ATOM 0 HE22 GLN A 86 43.266 7.662 -8.809 1.00 11.97 H new ATOM 1280 N GLY A 87 44.622 6.318 -3.204 1.00 14.85 N ATOM 1281 CA GLY A 87 45.566 5.413 -2.587 1.00 15.28 C ATOM 1282 C GLY A 87 45.860 4.270 -3.535 1.00 15.54 C ATOM 1283 O GLY A 87 45.686 3.100 -3.190 1.00 16.04 O ATOM 0 H GLY A 87 45.022 6.930 -3.915 1.00 14.85 H new ATOM 0 HA2 GLY A 87 46.487 5.942 -2.341 1.00 15.28 H new ATOM 0 HA3 GLY A 87 45.160 5.029 -1.651 1.00 15.28 H new ATOM 1287 N TYR A 88 46.303 4.647 -4.740 1.00 15.34 N ATOM 1288 CA TYR A 88 46.464 3.729 -5.871 1.00 15.74 C ATOM 1289 C TYR A 88 47.219 2.460 -5.478 1.00 16.38 C ATOM 1290 O TYR A 88 46.711 1.350 -5.641 1.00 16.65 O ATOM 1291 CB TYR A 88 47.199 4.448 -7.006 1.00 15.89 C ATOM 1292 CG TYR A 88 47.035 3.805 -8.365 1.00 16.18 C ATOM 1293 CD1 TYR A 88 45.874 3.995 -9.102 1.00 16.39 C ATOM 1294 CD2 TYR A 88 48.043 3.025 -8.916 1.00 16.39 C ATOM 1295 CE1 TYR A 88 45.718 3.418 -10.348 1.00 16.82 C ATOM 1296 CE2 TYR A 88 47.896 2.446 -10.167 1.00 16.82 C ATOM 1297 CZ TYR A 88 46.731 2.649 -10.878 1.00 17.05 C ATOM 1298 OH TYR A 88 46.573 2.081 -12.124 1.00 17.61 O ATOM 0 H TYR A 88 46.562 5.609 -4.959 1.00 15.34 H new ATOM 0 HA TYR A 88 45.471 3.424 -6.202 1.00 15.74 H new ATOM 0 HB2 TYR A 88 46.842 5.476 -7.059 1.00 15.89 H new ATOM 0 HB3 TYR A 88 48.261 4.491 -6.764 1.00 15.89 H new ATOM 0 HD1 TYR A 88 45.080 4.604 -8.695 1.00 16.39 H new ATOM 0 HD2 TYR A 88 48.956 2.867 -8.361 1.00 16.39 H new ATOM 0 HE1 TYR A 88 44.805 3.569 -10.905 1.00 16.82 H new ATOM 0 HE2 TYR A 88 48.688 1.840 -10.582 1.00 16.82 H new ATOM 0 HH TYR A 88 47.377 1.570 -12.355 1.00 17.61 H new ATOM 1308 N HIS A 89 48.433 2.628 -4.983 1.00 16.74 N ATOM 1309 CA HIS A 89 49.211 1.499 -4.497 1.00 17.45 C ATOM 1310 C HIS A 89 49.211 1.472 -2.975 1.00 17.29 C ATOM 1311 O HIS A 89 48.722 0.520 -2.366 1.00 17.63 O ATOM 1312 CB HIS A 89 50.648 1.561 -5.032 1.00 18.42 C ATOM 1313 CG HIS A 89 50.749 1.297 -6.497 1.00 18.85 C ATOM 1314 ND1 HIS A 89 51.596 1.985 -7.336 1.00 19.52 N ATOM 1315 CD2 HIS A 89 50.094 0.408 -7.271 1.00 18.83 C ATOM 1316 CE1 HIS A 89 51.459 1.526 -8.566 1.00 19.89 C ATOM 1317 NE2 HIS A 89 50.551 0.568 -8.552 1.00 19.49 N ATOM 0 H HIS A 89 48.901 3.531 -4.907 1.00 16.74 H new ATOM 0 HA HIS A 89 48.750 0.581 -4.861 1.00 17.45 H new ATOM 0 HB2 HIS A 89 51.065 2.545 -4.819 1.00 18.42 H new ATOM 0 HB3 HIS A 89 51.258 0.834 -4.497 1.00 18.42 H new ATOM 0 HD2 HIS A 89 49.347 -0.299 -6.942 1.00 18.83 H new ATOM 0 HE1 HIS A 89 51.997 1.875 -9.435 1.00 19.89 H new ATOM 0 HE2 HIS A 89 50.240 0.034 -9.363 1.00 19.49 H new ATOM 1326 N SER A 90 49.729 2.542 -2.378 1.00 16.89 N ATOM 1327 CA SER A 90 49.892 2.644 -0.930 1.00 16.87 C ATOM 1328 C SER A 90 50.924 1.626 -0.436 1.00 17.40 C ATOM 1329 O SER A 90 52.064 1.988 -0.151 1.00 17.57 O ATOM 1330 CB SER A 90 48.549 2.460 -0.210 1.00 16.22 C ATOM 1331 OG SER A 90 47.566 3.338 -0.738 1.00 16.09 O ATOM 0 H SER A 90 50.049 3.366 -2.887 1.00 16.89 H new ATOM 0 HA SER A 90 50.258 3.644 -0.696 1.00 16.87 H new ATOM 0 HB2 SER A 90 48.214 1.428 -0.315 1.00 16.22 H new ATOM 0 HB3 SER A 90 48.675 2.648 0.856 1.00 16.22 H new ATOM 0 HG SER A 90 47.172 2.942 -1.543 1.00 16.09 H new ATOM 1337 N ASP A 91 50.515 0.361 -0.352 1.00 17.78 N ATOM 1338 CA ASP A 91 51.401 -0.740 0.029 1.00 18.42 C ATOM 1339 C ASP A 91 52.085 -0.470 1.361 1.00 18.69 C ATOM 1340 O ASP A 91 53.274 -0.752 1.534 1.00 19.21 O ATOM 1341 CB ASP A 91 52.443 -1.001 -1.067 1.00 19.03 C ATOM 1342 CG ASP A 91 51.835 -1.638 -2.301 1.00 19.61 C ATOM 1343 OD1 ASP A 91 51.538 -2.851 -2.261 1.00 20.11 O ATOM 1344 OD2 ASP A 91 51.663 -0.935 -3.320 1.00 19.68 O ATOM 0 H ASP A 91 49.557 0.069 -0.547 1.00 17.78 H new ATOM 0 HA ASP A 91 50.786 -1.633 0.145 1.00 18.42 H new ATOM 0 HB2 ASP A 91 52.919 -0.060 -1.344 1.00 19.03 H new ATOM 0 HB3 ASP A 91 53.225 -1.650 -0.674 1.00 19.03 H new ATOM 1349 N LYS A 92 51.324 0.057 2.307 1.00 18.45 N ATOM 1350 CA LYS A 92 51.875 0.395 3.611 1.00 18.78 C ATOM 1351 C LYS A 92 51.831 -0.811 4.543 1.00 19.35 C ATOM 1352 O LYS A 92 52.643 -0.933 5.459 1.00 19.92 O ATOM 1353 CB LYS A 92 51.112 1.569 4.229 1.00 18.38 C ATOM 1354 CG LYS A 92 51.044 2.809 3.339 1.00 18.13 C ATOM 1355 CD LYS A 92 52.376 3.551 3.234 1.00 18.03 C ATOM 1356 CE LYS A 92 53.414 2.786 2.424 1.00 17.98 C ATOM 1357 NZ LYS A 92 54.668 3.557 2.247 1.00 17.78 N ATOM 0 H LYS A 92 50.330 0.259 2.199 1.00 18.45 H new ATOM 0 HA LYS A 92 52.916 0.689 3.474 1.00 18.78 H new ATOM 0 HB2 LYS A 92 50.097 1.246 4.462 1.00 18.38 H new ATOM 0 HB3 LYS A 92 51.585 1.839 5.173 1.00 18.38 H new ATOM 0 HG2 LYS A 92 50.721 2.514 2.341 1.00 18.13 H new ATOM 0 HG3 LYS A 92 50.287 3.488 3.731 1.00 18.13 H new ATOM 0 HD2 LYS A 92 52.209 4.525 2.775 1.00 18.03 H new ATOM 0 HD3 LYS A 92 52.765 3.733 4.236 1.00 18.03 H new ATOM 0 HE2 LYS A 92 53.637 1.842 2.922 1.00 17.98 H new ATOM 0 HE3 LYS A 92 53.000 2.540 1.446 1.00 17.98 H new ATOM 0 HZ1 LYS A 92 55.344 2.997 1.690 1.00 17.78 H new ATOM 0 HZ2 LYS A 92 54.461 4.446 1.748 1.00 17.78 H new ATOM 0 HZ3 LYS A 92 55.079 3.770 3.178 1.00 17.78 H new ATOM 1371 N ARG A 93 50.872 -1.695 4.308 1.00 19.31 N ATOM 1372 CA ARG A 93 50.767 -2.924 5.078 1.00 19.91 C ATOM 1373 C ARG A 93 51.115 -4.126 4.208 1.00 20.36 C ATOM 1374 O ARG A 93 50.255 -4.931 3.852 1.00 20.53 O ATOM 1375 CB ARG A 93 49.376 -3.084 5.705 1.00 20.42 C ATOM 1376 CG ARG A 93 49.229 -2.391 7.057 1.00 20.25 C ATOM 1377 CD ARG A 93 49.230 -0.878 6.932 1.00 20.24 C ATOM 1378 NE ARG A 93 49.285 -0.224 8.240 1.00 20.81 N ATOM 1379 CZ ARG A 93 48.261 0.416 8.802 1.00 21.12 C ATOM 1380 NH1 ARG A 93 47.065 0.419 8.223 1.00 20.91 N ATOM 1381 NH2 ARG A 93 48.434 1.014 9.975 1.00 21.73 N ATOM 0 H ARG A 93 50.156 -1.583 3.590 1.00 19.31 H new ATOM 0 HA ARG A 93 51.484 -2.867 5.897 1.00 19.91 H new ATOM 0 HB2 ARG A 93 48.630 -2.684 5.019 1.00 20.42 H new ATOM 0 HB3 ARG A 93 49.162 -4.146 5.826 1.00 20.42 H new ATOM 0 HG2 ARG A 93 48.301 -2.714 7.529 1.00 20.25 H new ATOM 0 HG3 ARG A 93 50.044 -2.700 7.712 1.00 20.25 H new ATOM 0 HD2 ARG A 93 50.084 -0.564 6.332 1.00 20.24 H new ATOM 0 HD3 ARG A 93 48.333 -0.557 6.402 1.00 20.24 H new ATOM 0 HE ARG A 93 50.165 -0.261 8.755 1.00 20.81 H new ATOM 0 HH11 ARG A 93 46.925 -0.072 7.340 1.00 20.91 H new ATOM 0 HH12 ARG A 93 46.287 0.912 8.662 1.00 20.91 H new ATOM 0 HH21 ARG A 93 49.343 0.980 10.436 1.00 21.73 H new ATOM 0 HH22 ARG A 93 47.657 1.507 10.415 1.00 21.73 H new ATOM 1395 N ARG A 94 52.380 -4.206 3.835 1.00 20.65 N ATOM 1396 CA ARG A 94 52.894 -5.343 3.090 1.00 21.26 C ATOM 1397 C ARG A 94 53.854 -6.132 3.969 1.00 22.10 C ATOM 1398 O ARG A 94 53.849 -5.972 5.193 1.00 22.42 O ATOM 1399 CB ARG A 94 53.589 -4.876 1.803 1.00 21.34 C ATOM 1400 CG ARG A 94 52.628 -4.393 0.721 1.00 21.30 C ATOM 1401 CD ARG A 94 51.740 -5.522 0.210 1.00 21.28 C ATOM 1402 NE ARG A 94 52.524 -6.636 -0.337 1.00 21.49 N ATOM 1403 CZ ARG A 94 51.988 -7.745 -0.863 1.00 21.68 C ATOM 1404 NH1 ARG A 94 50.668 -7.854 -0.976 1.00 21.65 N ATOM 1405 NH2 ARG A 94 52.766 -8.737 -1.287 1.00 21.99 N ATOM 0 H ARG A 94 53.077 -3.489 4.038 1.00 20.65 H new ATOM 0 HA ARG A 94 52.064 -5.989 2.804 1.00 21.26 H new ATOM 0 HB2 ARG A 94 54.280 -4.069 2.047 1.00 21.34 H new ATOM 0 HB3 ARG A 94 54.185 -5.697 1.405 1.00 21.34 H new ATOM 0 HG2 ARG A 94 52.005 -3.592 1.119 1.00 21.30 H new ATOM 0 HG3 ARG A 94 53.196 -3.973 -0.109 1.00 21.30 H new ATOM 0 HD2 ARG A 94 51.113 -5.886 1.024 1.00 21.28 H new ATOM 0 HD3 ARG A 94 51.072 -5.137 -0.560 1.00 21.28 H new ATOM 0 HE ARG A 94 53.541 -6.561 -0.315 1.00 21.49 H new ATOM 0 HH11 ARG A 94 50.065 -7.094 -0.662 1.00 21.65 H new ATOM 0 HH12 ARG A 94 50.258 -8.698 -1.376 1.00 21.65 H new ATOM 0 HH21 ARG A 94 53.780 -8.657 -1.213 1.00 21.99 H new ATOM 0 HH22 ARG A 94 52.348 -9.578 -1.686 1.00 21.99 H new ATOM 1419 N LEU A 95 54.652 -7.003 3.346 1.00 22.55 N ATOM 1420 CA LEU A 95 55.658 -7.802 4.049 1.00 23.45 C ATOM 1421 C LEU A 95 55.001 -8.789 5.007 1.00 24.13 C ATOM 1422 O LEU A 95 55.679 -9.441 5.800 1.00 24.69 O ATOM 1423 CB LEU A 95 56.656 -6.910 4.813 1.00 23.73 C ATOM 1424 CG LEU A 95 57.635 -6.091 3.961 1.00 23.32 C ATOM 1425 CD1 LEU A 95 56.937 -4.964 3.209 1.00 23.09 C ATOM 1426 CD2 LEU A 95 58.741 -5.531 4.838 1.00 23.46 C ATOM 0 H LEU A 95 54.619 -7.174 2.341 1.00 22.55 H new ATOM 0 HA LEU A 95 56.210 -8.361 3.293 1.00 23.45 H new ATOM 0 HB2 LEU A 95 56.088 -6.220 5.438 1.00 23.73 H new ATOM 0 HB3 LEU A 95 57.236 -7.544 5.484 1.00 23.73 H new ATOM 0 HG LEU A 95 58.064 -6.761 3.216 1.00 23.32 H new ATOM 0 HD11 LEU A 95 57.669 -4.412 2.620 1.00 23.09 H new ATOM 0 HD12 LEU A 95 56.180 -5.383 2.547 1.00 23.09 H new ATOM 0 HD13 LEU A 95 56.462 -4.290 3.922 1.00 23.09 H new ATOM 0 HD21 LEU A 95 59.432 -4.951 4.226 1.00 23.46 H new ATOM 0 HD22 LEU A 95 58.308 -4.888 5.604 1.00 23.46 H new ATOM 0 HD23 LEU A 95 59.279 -6.351 5.314 1.00 23.46 H new ATOM 1438 N SER A 96 53.674 -8.897 4.910 1.00 24.14 N ATOM 1439 CA SER A 96 52.878 -9.753 5.783 1.00 24.84 C ATOM 1440 C SER A 96 53.022 -9.325 7.248 1.00 25.65 C ATOM 1441 O SER A 96 52.711 -10.081 8.169 1.00 26.06 O ATOM 1442 CB SER A 96 53.292 -11.219 5.600 1.00 25.35 C ATOM 1443 OG SER A 96 52.280 -12.106 6.057 1.00 25.01 O ATOM 0 H SER A 96 53.122 -8.389 4.219 1.00 24.14 H new ATOM 0 HA SER A 96 51.828 -9.650 5.508 1.00 24.84 H new ATOM 0 HB2 SER A 96 53.498 -11.411 4.547 1.00 25.35 H new ATOM 0 HB3 SER A 96 54.217 -11.408 6.145 1.00 25.35 H new ATOM 0 HG SER A 96 51.993 -11.839 6.955 1.00 25.01 H new ATOM 1449 N LYS A 97 53.472 -8.095 7.466 1.00 25.95 N ATOM 1450 CA LYS A 97 53.695 -7.594 8.813 1.00 26.80 C ATOM 1451 C LYS A 97 52.547 -6.697 9.254 1.00 26.62 C ATOM 1452 O LYS A 97 52.672 -5.937 10.217 1.00 27.28 O ATOM 1453 CB LYS A 97 55.023 -6.833 8.887 1.00 27.31 C ATOM 1454 CG LYS A 97 56.252 -7.659 8.505 1.00 27.15 C ATOM 1455 CD LYS A 97 56.636 -8.689 9.565 1.00 27.42 C ATOM 1456 CE LYS A 97 55.617 -9.815 9.672 1.00 27.89 C ATOM 1457 NZ LYS A 97 56.033 -10.861 10.643 1.00 28.52 N ATOM 0 H LYS A 97 53.689 -7.428 6.726 1.00 25.95 H new ATOM 0 HA LYS A 97 53.742 -8.447 9.490 1.00 26.80 H new ATOM 0 HB2 LYS A 97 54.966 -5.965 8.230 1.00 27.31 H new ATOM 0 HB3 LYS A 97 55.155 -6.457 9.902 1.00 27.31 H new ATOM 0 HG2 LYS A 97 56.059 -8.171 7.562 1.00 27.15 H new ATOM 0 HG3 LYS A 97 57.095 -6.989 8.337 1.00 27.15 H new ATOM 0 HD2 LYS A 97 57.613 -9.108 9.324 1.00 27.42 H new ATOM 0 HD3 LYS A 97 56.731 -8.194 10.532 1.00 27.42 H new ATOM 0 HE2 LYS A 97 54.654 -9.403 9.975 1.00 27.89 H new ATOM 0 HE3 LYS A 97 55.475 -10.269 8.691 1.00 27.89 H new ATOM 0 HZ1 LYS A 97 55.309 -11.606 10.682 1.00 28.52 H new ATOM 0 HZ2 LYS A 97 56.939 -11.274 10.342 1.00 28.52 H new ATOM 0 HZ3 LYS A 97 56.143 -10.436 11.586 1.00 28.52 H new ATOM 1471 N ALA A 98 51.432 -6.806 8.549 1.00 25.81 N ATOM 1472 CA ALA A 98 50.249 -6.021 8.861 1.00 25.63 C ATOM 1473 C ALA A 98 49.607 -6.510 10.154 1.00 26.23 C ATOM 1474 O ALA A 98 48.839 -7.472 10.147 1.00 26.50 O ATOM 1475 CB ALA A 98 49.254 -6.080 7.712 1.00 25.39 C ATOM 0 H ALA A 98 51.322 -7.434 7.753 1.00 25.81 H new ATOM 0 HA ALA A 98 50.551 -4.983 9.001 1.00 25.63 H new ATOM 0 HB1 ALA A 98 48.374 -5.487 7.962 1.00 25.39 H new ATOM 0 HB2 ALA A 98 49.716 -5.681 6.809 1.00 25.39 H new ATOM 0 HB3 ALA A 98 48.957 -7.115 7.540 1.00 25.39 H new ATOM 1481 N SER A 99 49.975 -5.863 11.258 1.00 26.50 N ATOM 1482 CA SER A 99 49.455 -6.196 12.585 1.00 27.15 C ATOM 1483 C SER A 99 49.725 -7.661 12.943 1.00 27.64 C ATOM 1484 O SER A 99 48.812 -8.488 12.985 1.00 28.00 O ATOM 1485 CB SER A 99 47.955 -5.892 12.662 1.00 27.13 C ATOM 1486 OG SER A 99 47.689 -4.543 12.307 1.00 26.99 O ATOM 0 H SER A 99 50.643 -5.092 11.259 1.00 26.50 H new ATOM 0 HA SER A 99 49.978 -5.576 13.313 1.00 27.15 H new ATOM 0 HB2 SER A 99 47.410 -6.561 11.996 1.00 27.13 H new ATOM 0 HB3 SER A 99 47.593 -6.084 13.672 1.00 27.13 H new ATOM 0 HG SER A 99 46.725 -4.374 12.362 1.00 26.99 H new ATOM 1492 N SER A 100 50.990 -7.984 13.179 1.00 27.71 N ATOM 1493 CA SER A 100 51.375 -9.345 13.523 1.00 28.26 C ATOM 1494 C SER A 100 51.145 -9.615 15.005 1.00 28.98 C ATOM 1495 O SER A 100 51.871 -9.110 15.861 1.00 29.38 O ATOM 1496 CB SER A 100 52.842 -9.583 13.167 1.00 28.27 C ATOM 1497 OG SER A 100 53.079 -9.276 11.804 1.00 28.11 O ATOM 0 H SER A 100 51.765 -7.323 13.138 1.00 27.71 H new ATOM 0 HA SER A 100 50.754 -10.032 12.949 1.00 28.26 H new ATOM 0 HB2 SER A 100 53.480 -8.967 13.801 1.00 28.27 H new ATOM 0 HB3 SER A 100 53.106 -10.622 13.363 1.00 28.27 H new ATOM 0 HG SER A 100 53.748 -8.563 11.741 1.00 28.11 H new ATOM 1503 N LYS A 101 50.132 -10.417 15.293 1.00 29.21 N ATOM 1504 CA LYS A 101 49.789 -10.764 16.666 1.00 29.94 C ATOM 1505 C LYS A 101 50.750 -11.807 17.205 1.00 30.44 C ATOM 1506 O LYS A 101 51.202 -11.722 18.350 1.00 31.19 O ATOM 1507 CB LYS A 101 48.361 -11.309 16.745 1.00 30.31 C ATOM 1508 CG LYS A 101 47.297 -10.335 16.273 1.00 30.08 C ATOM 1509 CD LYS A 101 45.919 -10.958 16.344 1.00 30.22 C ATOM 1510 CE LYS A 101 44.846 -9.990 15.878 1.00 30.12 C ATOM 1511 NZ LYS A 101 43.488 -10.589 15.948 1.00 30.42 N ATOM 0 H LYS A 101 49.528 -10.843 14.590 1.00 29.21 H new ATOM 0 HA LYS A 101 49.861 -9.858 17.268 1.00 29.94 H new ATOM 0 HB2 LYS A 101 48.297 -12.218 16.146 1.00 30.31 H new ATOM 0 HB3 LYS A 101 48.148 -11.591 17.776 1.00 30.31 H new ATOM 0 HG2 LYS A 101 47.325 -9.435 16.887 1.00 30.08 H new ATOM 0 HG3 LYS A 101 47.509 -10.028 15.249 1.00 30.08 H new ATOM 0 HD2 LYS A 101 45.893 -11.856 15.727 1.00 30.22 H new ATOM 0 HD3 LYS A 101 45.711 -11.268 17.368 1.00 30.22 H new ATOM 0 HE2 LYS A 101 44.878 -9.090 16.493 1.00 30.12 H new ATOM 0 HE3 LYS A 101 45.055 -9.683 14.853 1.00 30.12 H new ATOM 0 HZ1 LYS A 101 42.785 -9.895 15.621 1.00 30.42 H new ATOM 0 HZ2 LYS A 101 43.449 -11.433 15.342 1.00 30.42 H new ATOM 0 HZ3 LYS A 101 43.278 -10.858 16.930 1.00 30.42 H new ATOM 1525 N ALA A 102 51.062 -12.791 16.358 1.00 30.08 N ATOM 1526 CA ALA A 102 51.934 -13.897 16.733 1.00 30.58 C ATOM 1527 C ALA A 102 53.252 -13.390 17.306 1.00 30.59 C ATOM 1528 O ALA A 102 54.089 -12.844 16.588 1.00 30.68 O ATOM 1529 CB ALA A 102 52.183 -14.801 15.536 1.00 30.57 C ATOM 0 H ALA A 102 50.717 -12.840 15.399 1.00 30.08 H new ATOM 0 HA ALA A 102 51.434 -14.475 17.510 1.00 30.58 H new ATOM 0 HB1 ALA A 102 52.836 -15.623 15.830 1.00 30.57 H new ATOM 0 HB2 ALA A 102 51.234 -15.201 15.179 1.00 30.57 H new ATOM 0 HB3 ALA A 102 52.658 -14.228 14.740 1.00 30.57 H new ATOM 1535 N ARG A 103 53.422 -13.577 18.609 1.00 30.57 N ATOM 1536 CA ARG A 103 54.595 -13.074 19.315 1.00 30.65 C ATOM 1537 C ARG A 103 55.771 -14.011 19.103 1.00 30.77 C ATOM 1538 O ARG A 103 56.925 -13.636 19.318 1.00 30.46 O ATOM 1539 CB ARG A 103 54.311 -12.971 20.820 1.00 31.34 C ATOM 1540 CG ARG A 103 53.154 -12.054 21.200 1.00 31.28 C ATOM 1541 CD ARG A 103 53.514 -10.583 21.058 1.00 31.10 C ATOM 1542 NE ARG A 103 53.312 -10.071 19.705 1.00 31.07 N ATOM 1543 CZ ARG A 103 53.620 -8.825 19.345 1.00 31.03 C ATOM 1544 NH1 ARG A 103 54.235 -8.016 20.203 1.00 31.01 N ATOM 1545 NH2 ARG A 103 53.319 -8.394 18.127 1.00 31.09 N ATOM 0 H ARG A 103 52.759 -14.076 19.202 1.00 30.57 H new ATOM 0 HA ARG A 103 54.832 -12.086 18.921 1.00 30.65 H new ATOM 0 HB2 ARG A 103 54.103 -13.970 21.204 1.00 31.34 H new ATOM 0 HB3 ARG A 103 55.213 -12.618 21.321 1.00 31.34 H new ATOM 0 HG2 ARG A 103 52.293 -12.278 20.570 1.00 31.28 H new ATOM 0 HG3 ARG A 103 52.856 -12.255 22.229 1.00 31.28 H new ATOM 0 HD2 ARG A 103 52.912 -9.999 21.754 1.00 31.10 H new ATOM 0 HD3 ARG A 103 54.557 -10.441 21.342 1.00 31.10 H new ATOM 0 HE ARG A 103 52.917 -10.696 19.003 1.00 31.07 H new ATOM 0 HH11 ARG A 103 54.472 -8.349 21.138 1.00 31.01 H new ATOM 0 HH12 ARG A 103 54.470 -7.063 19.926 1.00 31.01 H new ATOM 0 HH21 ARG A 103 52.852 -9.016 17.467 1.00 31.09 H new ATOM 0 HH22 ARG A 103 53.554 -7.441 17.851 1.00 31.09 H new ATOM 1559 N SER A 104 55.458 -15.236 18.672 1.00 31.30 N ATOM 1560 CA SER A 104 56.432 -16.314 18.643 1.00 31.63 C ATOM 1561 C SER A 104 56.887 -16.586 20.073 1.00 32.26 C ATOM 1562 O SER A 104 58.057 -16.856 20.344 1.00 32.63 O ATOM 1563 CB SER A 104 57.616 -15.956 17.734 1.00 31.49 C ATOM 1564 OG SER A 104 57.167 -15.662 16.420 1.00 31.60 O ATOM 0 H SER A 104 54.531 -15.500 18.338 1.00 31.30 H new ATOM 0 HA SER A 104 55.980 -17.216 18.229 1.00 31.63 H new ATOM 0 HB2 SER A 104 58.148 -15.097 18.143 1.00 31.49 H new ATOM 0 HB3 SER A 104 58.323 -16.785 17.705 1.00 31.49 H new ATOM 0 HG SER A 104 57.935 -15.434 15.855 1.00 31.60 H new ATOM 1570 N ASP A 105 55.919 -16.496 20.980 1.00 32.44 N ATOM 1571 CA ASP A 105 56.163 -16.651 22.404 1.00 33.10 C ATOM 1572 C ASP A 105 56.116 -18.117 22.806 1.00 33.71 C ATOM 1573 O ASP A 105 55.474 -18.936 22.146 1.00 33.79 O ATOM 1574 CB ASP A 105 55.137 -15.835 23.199 1.00 32.92 C ATOM 1575 CG ASP A 105 55.166 -16.136 24.683 1.00 33.34 C ATOM 1576 OD1 ASP A 105 56.257 -16.078 25.289 1.00 33.66 O ATOM 1577 OD2 ASP A 105 54.094 -16.438 25.245 1.00 33.43 O ATOM 0 H ASP A 105 54.943 -16.313 20.745 1.00 32.44 H new ATOM 0 HA ASP A 105 57.161 -16.277 22.631 1.00 33.10 H new ATOM 0 HB2 ASP A 105 55.327 -14.773 23.045 1.00 32.92 H new ATOM 0 HB3 ASP A 105 54.139 -16.039 22.811 1.00 32.92 H new ATOM 1582 N ASP A 106 56.797 -18.437 23.891 1.00 34.21 N ATOM 1583 CA ASP A 106 56.912 -19.806 24.356 1.00 34.91 C ATOM 1584 C ASP A 106 55.709 -20.187 25.209 1.00 35.10 C ATOM 1585 O ASP A 106 54.975 -21.121 24.879 1.00 35.16 O ATOM 1586 CB ASP A 106 58.200 -19.975 25.156 1.00 35.27 C ATOM 1587 CG ASP A 106 58.468 -21.417 25.543 1.00 35.62 C ATOM 1588 OD1 ASP A 106 58.692 -22.247 24.643 1.00 35.68 O ATOM 1589 OD2 ASP A 106 58.433 -21.732 26.754 1.00 35.89 O ATOM 0 H ASP A 106 57.285 -17.756 24.473 1.00 34.21 H new ATOM 0 HA ASP A 106 56.940 -20.467 23.490 1.00 34.91 H new ATOM 0 HB2 ASP A 106 59.038 -19.599 24.569 1.00 35.27 H new ATOM 0 HB3 ASP A 106 58.144 -19.366 26.058 1.00 35.27 H new ATOM 1594 N LEU A 107 55.505 -19.455 26.305 1.00 35.27 N ATOM 1595 CA LEU A 107 54.377 -19.712 27.207 1.00 35.52 C ATOM 1596 C LEU A 107 54.129 -18.526 28.140 1.00 35.58 C ATOM 1597 O LEU A 107 53.501 -18.667 29.191 1.00 35.79 O ATOM 1598 CB LEU A 107 54.621 -21.002 28.018 1.00 36.22 C ATOM 1599 CG LEU A 107 56.024 -21.177 28.625 1.00 36.57 C ATOM 1600 CD1 LEU A 107 56.274 -20.191 29.758 1.00 36.81 C ATOM 1601 CD2 LEU A 107 56.196 -22.592 29.136 1.00 36.78 C ATOM 0 H LEU A 107 56.104 -18.680 26.591 1.00 35.27 H new ATOM 0 HA LEU A 107 53.483 -19.846 26.598 1.00 35.52 H new ATOM 0 HB2 LEU A 107 53.892 -21.039 28.828 1.00 36.22 H new ATOM 0 HB3 LEU A 107 54.421 -21.855 27.370 1.00 36.22 H new ATOM 0 HG LEU A 107 56.751 -20.978 27.837 1.00 36.57 H new ATOM 0 HD11 LEU A 107 57.275 -20.346 30.161 1.00 36.81 H new ATOM 0 HD12 LEU A 107 56.189 -19.172 29.379 1.00 36.81 H new ATOM 0 HD13 LEU A 107 55.537 -20.348 30.546 1.00 36.81 H new ATOM 0 HD21 LEU A 107 57.192 -22.706 29.564 1.00 36.78 H new ATOM 0 HD22 LEU A 107 55.447 -22.796 29.901 1.00 36.78 H new ATOM 0 HD23 LEU A 107 56.073 -23.294 28.311 1.00 36.78 H new ATOM 1613 N SER A 108 54.586 -17.353 27.733 1.00 35.45 N ATOM 1614 CA SER A 108 54.506 -16.166 28.571 1.00 35.56 C ATOM 1615 C SER A 108 53.116 -15.544 28.478 1.00 34.99 C ATOM 1616 O SER A 108 52.495 -15.230 29.494 1.00 35.21 O ATOM 1617 CB SER A 108 55.574 -15.159 28.142 1.00 35.92 C ATOM 1618 OG SER A 108 56.811 -15.809 27.902 1.00 36.22 O ATOM 0 H SER A 108 55.019 -17.196 26.823 1.00 35.45 H new ATOM 0 HA SER A 108 54.684 -16.449 29.608 1.00 35.56 H new ATOM 0 HB2 SER A 108 55.250 -14.640 27.240 1.00 35.92 H new ATOM 0 HB3 SER A 108 55.700 -14.403 28.917 1.00 35.92 H new ATOM 0 HG SER A 108 56.901 -15.997 26.944 1.00 36.22 H new ATOM 1624 N VAL A 109 52.627 -15.387 27.259 1.00 34.34 N ATOM 1625 CA VAL A 109 51.307 -14.823 27.035 1.00 33.84 C ATOM 1626 C VAL A 109 50.366 -15.898 26.508 1.00 33.57 C ATOM 1627 O VAL A 109 49.743 -16.601 27.330 1.00 33.71 O ATOM 1628 CB VAL A 109 51.355 -13.646 26.037 1.00 33.11 C ATOM 1629 CG1 VAL A 109 49.993 -12.986 25.912 1.00 32.97 C ATOM 1630 CG2 VAL A 109 52.399 -12.620 26.447 1.00 33.19 C ATOM 1631 OXT VAL A 109 50.262 -16.053 25.271 1.00 33.28 O ATOM 0 H VAL A 109 53.126 -15.643 26.407 1.00 34.34 H new ATOM 0 HA VAL A 109 50.941 -14.445 27.990 1.00 33.84 H new ATOM 0 HB VAL A 109 51.636 -14.051 25.065 1.00 33.11 H new ATOM 0 HG11 VAL A 109 50.053 -12.160 25.203 1.00 32.97 H new ATOM 0 HG12 VAL A 109 49.266 -13.716 25.557 1.00 32.97 H new ATOM 0 HG13 VAL A 109 49.682 -12.607 26.885 1.00 32.97 H new ATOM 0 HG21 VAL A 109 52.410 -11.803 25.725 1.00 33.19 H new ATOM 0 HG22 VAL A 109 52.156 -12.228 27.435 1.00 33.19 H new ATOM 0 HG23 VAL A 109 53.381 -13.092 26.475 1.00 33.19 H new TER 1641 VAL A 109