USER MOD reduce.3.24.130724 H: found=0, std=0, add=1150, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1150 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: B 29 ASN : amide:sc= -0.67 K(o=-0.67,f=-0.0079) USER MOD Set 1.2: B 31 GLN : amide:sc= 0 K(o=-0.67,f=-0.0079) USER MOD Set 2.1: A 31 GLN : amide:sc= 0.00197 X(o=0.0038,f=0) USER MOD Set 2.2: A 47 SER OG : rot 93:sc= 0.00186 USER MOD Single : A 17 GLN : amide:sc= -0.447 K(o=-0.45,f=-4.3!) USER MOD Single : A 18 THR OG1 : rot -120:sc= -3.1! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.298 USER MOD Single : A 20 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.8!) USER MOD Single : A 23 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -144:sc= 0 (180deg=-0.392) USER MOD Single : A 28 SER OG : rot -150:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 38 GLN : amide:sc= -2.11 K(o=-2.1,f=-0.12) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 142:sc= 0.53 (180deg=0.107) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -0.0526 (180deg=-0.315) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc=-0.00715 (180deg=-0.156) USER MOD Single : A 68 GLN : amide:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 159:sc= -0.0866 (180deg=-0.455) USER MOD Single : A 78 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.016) USER MOD Single : B 17 GLN : amide:sc= -0.412 K(o=-0.41,f=-4.3!) USER MOD Single : B 18 THR OG1 : rot -130:sc= -2.61! USER MOD Single : B 19 THR OG1 : rot 91:sc= 0.301 USER MOD Single : B 20 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.8!) USER MOD Single : B 23 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl -139:sc= -0.0129 (180deg=-0.272) USER MOD Single : B 28 SER OG : rot -140:sc= -0.109 USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 SER OG : rot -40:sc= 0.334 USER MOD Single : B 41 LYS NZ :NH3+ 156:sc= 0.00202 (180deg=0) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 164:sc= -0.0414 (180deg=-0.373) USER MOD Single : B 50 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 169:sc=-0.00995 (180deg=-0.138) USER MOD Single : B 68 GLN : amide:sc= -0.008 X(o=-0.008,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 76 LYS NZ :NH3+ -128:sc= 0.0399 (180deg=-0.512) USER MOD Single : B 78 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -7.794 -18.953 15.341 1.00 0.81 N ATOM 2 CA LEU A 8 -8.343 -19.424 14.051 1.00 0.78 C ATOM 3 C LEU A 8 -9.815 -19.861 14.230 1.00 0.78 C ATOM 4 O LEU A 8 -10.135 -21.008 14.535 1.00 0.80 O ATOM 5 CB LEU A 8 -7.458 -20.560 13.507 1.00 0.80 C ATOM 6 CG LEU A 8 -7.799 -21.055 12.087 1.00 0.78 C ATOM 7 CD1 LEU A 8 -6.560 -21.708 11.479 1.00 0.80 C ATOM 8 CD2 LEU A 8 -8.904 -22.117 12.059 1.00 0.78 C ATOM 0 HA LEU A 8 -8.336 -18.615 13.320 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -6.421 -20.223 13.515 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -7.523 -21.406 14.192 1.00 0.80 H new ATOM 0 HG LEU A 8 -8.140 -20.180 11.535 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -6.791 -22.062 10.474 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -5.751 -20.979 11.430 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -6.252 -22.551 12.098 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -9.092 -22.419 11.029 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -8.590 -22.984 12.640 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -9.817 -21.704 12.488 1.00 0.78 H new ATOM 20 N ARG A 9 -10.662 -18.847 14.262 1.00 0.76 N ATOM 21 CA ARG A 9 -12.113 -19.058 14.431 1.00 0.76 C ATOM 22 C ARG A 9 -12.915 -18.263 13.401 1.00 0.72 C ATOM 23 O ARG A 9 -13.557 -18.837 12.524 1.00 0.71 O ATOM 24 CB ARG A 9 -12.565 -18.802 15.881 1.00 0.79 C ATOM 25 CG ARG A 9 -12.248 -17.396 16.399 1.00 0.78 C ATOM 26 CD ARG A 9 -12.901 -17.131 17.753 1.00 0.82 C ATOM 27 NE ARG A 9 -12.638 -15.738 18.157 1.00 0.81 N ATOM 28 CZ ARG A 9 -11.491 -15.244 18.628 1.00 0.83 C ATOM 29 NH1 ARG A 9 -10.412 -16.003 18.780 1.00 0.84 N ATOM 30 NH2 ARG A 9 -11.425 -13.972 19.002 1.00 0.83 N ATOM 0 H ARG A 9 -10.385 -17.869 14.175 1.00 0.76 H new ATOM 0 HA ARG A 9 -12.322 -20.110 14.237 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -13.640 -18.968 15.949 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -12.087 -19.533 16.533 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -11.168 -17.276 16.486 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -12.594 -16.656 15.677 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -13.975 -17.307 17.692 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -12.507 -17.819 18.501 1.00 0.82 H new ATOM 0 HE ARG A 9 -13.414 -15.083 18.067 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -10.446 -16.992 18.534 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -9.550 -15.597 19.142 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -12.249 -13.376 18.929 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -10.550 -13.591 19.362 1.00 0.83 H new ATOM 44 N GLU A 10 -12.826 -16.934 13.501 1.00 0.70 N ATOM 45 CA GLU A 10 -13.619 -15.996 12.698 1.00 0.67 C ATOM 46 C GLU A 10 -12.870 -14.675 12.526 1.00 0.65 C ATOM 47 O GLU A 10 -12.506 -14.019 13.504 1.00 0.67 O ATOM 48 CB GLU A 10 -14.955 -15.712 13.391 1.00 0.69 C ATOM 49 CG GLU A 10 -15.854 -16.951 13.478 1.00 0.71 C ATOM 50 CD GLU A 10 -17.218 -16.675 14.109 1.00 0.73 C ATOM 51 OE1 GLU A 10 -17.687 -15.518 14.000 1.00 0.72 O ATOM 52 OE2 GLU A 10 -17.777 -17.638 14.674 1.00 0.76 O ATOM 0 H GLU A 10 -12.191 -16.471 14.152 1.00 0.70 H new ATOM 0 HA GLU A 10 -13.793 -16.448 11.722 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -14.765 -15.335 14.396 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -15.480 -14.925 12.850 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -16.002 -17.353 12.476 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -15.344 -17.720 14.058 1.00 0.71 H new ATOM 59 N LEU A 11 -12.529 -14.413 11.277 1.00 0.62 N ATOM 60 CA LEU A 11 -11.821 -13.181 10.886 1.00 0.60 C ATOM 61 C LEU A 11 -12.585 -12.464 9.773 1.00 0.57 C ATOM 62 O LEU A 11 -13.110 -13.093 8.853 1.00 0.56 O ATOM 63 CB LEU A 11 -10.411 -13.534 10.416 1.00 0.60 C ATOM 64 CG LEU A 11 -9.581 -14.145 11.544 1.00 0.63 C ATOM 65 CD1 LEU A 11 -9.021 -15.499 11.106 1.00 0.65 C ATOM 66 CD2 LEU A 11 -8.463 -13.191 11.959 1.00 0.64 C ATOM 0 H LEU A 11 -12.729 -15.039 10.497 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.757 -12.514 11.746 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -10.469 -14.236 9.584 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.916 -12.638 10.043 1.00 0.60 H new ATOM 0 HG LEU A 11 -10.221 -14.305 12.412 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -8.431 -15.928 11.916 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.844 -16.171 10.861 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -8.389 -15.365 10.228 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.881 -13.641 12.763 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.814 -12.998 11.105 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.896 -12.252 12.305 1.00 0.64 H new ATOM 78 N ARG A 12 -12.608 -11.150 9.896 1.00 0.56 N ATOM 79 CA ARG A 12 -13.361 -10.276 8.977 1.00 0.54 C ATOM 80 C ARG A 12 -12.367 -9.571 8.061 1.00 0.51 C ATOM 81 O ARG A 12 -11.253 -9.245 8.477 1.00 0.51 O ATOM 82 CB ARG A 12 -14.143 -9.225 9.786 1.00 0.55 C ATOM 83 CG ARG A 12 -14.882 -9.770 11.018 1.00 0.59 C ATOM 84 CD ARG A 12 -15.740 -10.983 10.659 1.00 0.59 C ATOM 85 NE ARG A 12 -16.553 -11.423 11.794 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.864 -11.233 11.810 1.00 0.65 C ATOM 87 NH1 ARG A 12 -18.370 -10.063 12.169 1.00 0.66 N ATOM 88 NH2 ARG A 12 -18.670 -12.250 11.561 1.00 0.66 N ATOM 0 H ARG A 12 -12.110 -10.646 10.630 1.00 0.56 H new ATOM 0 HA ARG A 12 -14.063 -10.868 8.390 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -13.450 -8.449 10.111 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.869 -8.748 9.127 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -14.159 -10.047 11.785 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -15.513 -8.988 11.442 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -16.390 -10.734 9.820 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -15.097 -11.800 10.333 1.00 0.59 H new ATOM 0 HE ARG A 12 -16.103 -11.883 12.585 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -17.749 -9.299 12.436 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -19.381 -9.926 12.178 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -18.281 -13.171 11.359 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -19.681 -12.114 11.571 1.00 0.66 H new ATOM 102 N CYS A 13 -12.784 -9.330 6.821 1.00 0.49 N ATOM 103 CA CYS A 13 -11.990 -8.524 5.880 1.00 0.47 C ATOM 104 C CYS A 13 -11.671 -7.155 6.504 1.00 0.47 C ATOM 105 O CYS A 13 -12.428 -6.649 7.331 1.00 0.48 O ATOM 106 CB CYS A 13 -12.781 -8.326 4.588 1.00 0.47 C ATOM 107 SG CYS A 13 -12.829 -9.794 3.494 1.00 0.48 S ATOM 0 H CYS A 13 -13.664 -9.677 6.439 1.00 0.49 H new ATOM 0 HA CYS A 13 -11.057 -9.042 5.661 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.803 -8.044 4.842 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.348 -7.491 4.036 1.00 0.47 H new ATOM 112 N VAL A 14 -10.538 -6.582 6.098 1.00 0.45 N ATOM 113 CA VAL A 14 -10.132 -5.236 6.582 1.00 0.45 C ATOM 114 C VAL A 14 -11.180 -4.163 6.214 1.00 0.44 C ATOM 115 O VAL A 14 -11.363 -3.175 6.918 1.00 0.45 O ATOM 116 CB VAL A 14 -8.696 -4.881 6.127 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.509 -4.720 4.616 1.00 0.43 C ATOM 118 CG2 VAL A 14 -8.174 -3.623 6.822 1.00 0.45 C ATOM 0 H VAL A 14 -9.884 -7.011 5.444 1.00 0.45 H new ATOM 0 HA VAL A 14 -10.102 -5.260 7.671 1.00 0.45 H new ATOM 0 HB VAL A 14 -8.116 -5.754 6.425 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.469 -4.472 4.402 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.770 -5.653 4.116 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -9.155 -3.920 4.253 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -7.163 -3.408 6.475 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.825 -2.781 6.587 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -8.161 -3.782 7.900 1.00 0.45 H new ATOM 128 N CYS A 15 -11.840 -4.398 5.084 1.00 0.44 N ATOM 129 CA CYS A 15 -12.896 -3.535 4.536 1.00 0.44 C ATOM 130 C CYS A 15 -14.221 -4.283 4.427 1.00 0.46 C ATOM 131 O CYS A 15 -14.378 -5.171 3.588 1.00 0.46 O ATOM 132 CB CYS A 15 -12.509 -3.066 3.138 1.00 0.43 C ATOM 133 SG CYS A 15 -11.202 -1.806 3.156 1.00 0.42 S ATOM 0 H CYS A 15 -11.654 -5.216 4.503 1.00 0.44 H new ATOM 0 HA CYS A 15 -13.010 -2.688 5.213 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -12.174 -3.922 2.552 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.390 -2.663 2.638 1.00 0.43 H new ATOM 138 N LEU A 16 -15.112 -3.969 5.355 1.00 0.48 N ATOM 139 CA LEU A 16 -16.481 -4.521 5.333 1.00 0.51 C ATOM 140 C LEU A 16 -17.436 -3.763 4.395 1.00 0.53 C ATOM 141 O LEU A 16 -18.314 -4.361 3.766 1.00 0.55 O ATOM 142 CB LEU A 16 -17.055 -4.597 6.752 1.00 0.54 C ATOM 143 CG LEU A 16 -16.300 -5.595 7.643 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.882 -5.560 9.056 1.00 0.57 C ATOM 145 CD2 LEU A 16 -16.362 -7.025 7.089 1.00 0.53 C ATOM 0 H LEU A 16 -14.924 -3.339 6.135 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.397 -5.528 4.925 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -17.017 -3.608 7.208 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -18.105 -4.884 6.700 1.00 0.54 H new ATOM 0 HG LEU A 16 -15.252 -5.297 7.662 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -16.346 -6.268 9.688 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.778 -4.556 9.467 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.937 -5.831 9.022 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.815 -7.696 7.751 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -17.402 -7.346 7.026 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.913 -7.050 6.096 1.00 0.53 H new ATOM 157 N GLN A 17 -17.226 -2.470 4.292 1.00 0.53 N ATOM 158 CA GLN A 17 -18.028 -1.553 3.472 1.00 0.55 C ATOM 159 C GLN A 17 -17.191 -1.030 2.291 1.00 0.53 C ATOM 160 O GLN A 17 -16.014 -1.355 2.135 1.00 0.50 O ATOM 161 CB GLN A 17 -18.574 -0.397 4.335 1.00 0.57 C ATOM 162 CG GLN A 17 -17.534 0.618 4.840 1.00 0.56 C ATOM 163 CD GLN A 17 -16.569 0.091 5.915 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.644 -0.996 6.463 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.612 0.909 6.268 1.00 0.53 N ATOM 0 H GLN A 17 -16.470 -1.999 4.789 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.883 -2.093 3.065 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.324 0.140 3.755 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -19.084 -0.824 5.198 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -16.949 0.967 3.989 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -18.061 1.484 5.241 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.532 1.823 5.822 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.946 0.633 6.989 1.00 0.53 H new ATOM 174 N THR A 18 -17.835 -0.175 1.518 1.00 0.56 N ATOM 175 CA THR A 18 -17.223 0.474 0.346 1.00 0.55 C ATOM 176 C THR A 18 -17.415 2.001 0.388 1.00 0.57 C ATOM 177 O THR A 18 -17.959 2.554 1.346 1.00 0.58 O ATOM 178 CB THR A 18 -17.809 -0.181 -0.917 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.118 0.330 -2.053 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.323 0.022 -1.080 1.00 0.62 C ATOM 0 H THR A 18 -18.805 0.098 1.677 1.00 0.56 H new ATOM 0 HA THR A 18 -16.143 0.327 0.343 1.00 0.55 H new ATOM 0 HB THR A 18 -17.669 -1.258 -0.820 1.00 0.57 H new ATOM 0 HG1 THR A 18 -17.755 0.775 -2.650 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.660 -0.469 -1.993 1.00 0.62 H new ATOM 0 HG22 THR A 18 -19.842 -0.409 -0.224 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.543 1.088 -1.139 1.00 0.62 H new ATOM 188 N THR A 19 -17.052 2.657 -0.708 1.00 0.57 N ATOM 189 CA THR A 19 -17.140 4.112 -0.908 1.00 0.59 C ATOM 190 C THR A 19 -17.165 4.441 -2.412 1.00 0.61 C ATOM 191 O THR A 19 -16.636 3.704 -3.252 1.00 0.60 O ATOM 192 CB THR A 19 -15.950 4.810 -0.210 1.00 0.56 C ATOM 193 OG1 THR A 19 -15.957 4.494 1.187 1.00 0.55 O ATOM 194 CG2 THR A 19 -15.966 6.336 -0.337 1.00 0.58 C ATOM 0 H THR A 19 -16.671 2.175 -1.522 1.00 0.57 H new ATOM 0 HA THR A 19 -18.065 4.480 -0.465 1.00 0.59 H new ATOM 0 HB THR A 19 -15.056 4.441 -0.712 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.396 3.707 1.347 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.100 6.753 0.178 1.00 0.58 H new ATOM 0 HG22 THR A 19 -15.930 6.614 -1.390 1.00 0.58 H new ATOM 0 HG23 THR A 19 -16.879 6.729 0.111 1.00 0.58 H new ATOM 202 N GLN A 20 -17.798 5.568 -2.699 1.00 0.65 N ATOM 203 CA GLN A 20 -17.926 6.155 -4.036 1.00 0.68 C ATOM 204 C GLN A 20 -17.491 7.625 -4.064 1.00 0.68 C ATOM 205 O GLN A 20 -18.281 8.568 -4.129 1.00 0.72 O ATOM 206 CB GLN A 20 -19.342 5.948 -4.605 1.00 0.72 C ATOM 207 CG GLN A 20 -20.504 6.644 -3.884 1.00 0.75 C ATOM 208 CD GLN A 20 -20.774 6.168 -2.454 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.342 5.143 -1.952 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.584 6.922 -1.759 1.00 0.76 N ATOM 0 H GLN A 20 -18.258 6.127 -1.980 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.238 5.623 -4.694 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.340 6.284 -5.642 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.547 4.877 -4.617 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.304 7.715 -3.860 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.410 6.502 -4.472 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -21.954 7.782 -2.164 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -21.846 6.651 -0.811 1.00 0.76 H new ATOM 219 N GLY A 21 -16.173 7.785 -3.956 1.00 0.65 N ATOM 220 CA GLY A 21 -15.592 9.120 -4.089 1.00 0.65 C ATOM 221 C GLY A 21 -15.370 9.477 -5.574 1.00 0.68 C ATOM 222 O GLY A 21 -15.567 8.619 -6.426 1.00 0.69 O ATOM 0 H GLY A 21 -15.505 7.034 -3.782 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.251 9.856 -3.628 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -14.643 9.163 -3.554 1.00 0.65 H new ATOM 226 N VAL A 22 -14.803 10.618 -5.948 1.00 0.69 N ATOM 227 CA VAL A 22 -14.110 11.752 -5.266 1.00 0.68 C ATOM 228 C VAL A 22 -12.892 12.111 -6.145 1.00 0.67 C ATOM 229 O VAL A 22 -12.707 11.543 -7.216 1.00 0.68 O ATOM 230 CB VAL A 22 -13.690 11.519 -3.785 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.527 10.532 -3.587 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.505 12.819 -2.996 1.00 0.65 C ATOM 0 H VAL A 22 -14.815 10.824 -6.947 1.00 0.69 H new ATOM 0 HA VAL A 22 -14.827 12.568 -5.176 1.00 0.68 H new ATOM 0 HB VAL A 22 -14.551 11.013 -3.349 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.308 10.436 -2.524 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -12.804 9.558 -3.990 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -11.643 10.902 -4.107 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.213 12.585 -1.972 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -12.729 13.423 -3.466 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.442 13.376 -2.987 1.00 0.65 H new ATOM 242 N HIS A 23 -12.030 12.998 -5.662 1.00 0.66 N ATOM 243 CA HIS A 23 -10.786 13.335 -6.354 1.00 0.66 C ATOM 244 C HIS A 23 -9.572 12.953 -5.480 1.00 0.62 C ATOM 245 O HIS A 23 -9.613 13.155 -4.261 1.00 0.60 O ATOM 246 CB HIS A 23 -10.799 14.829 -6.699 1.00 0.69 C ATOM 247 CG HIS A 23 -9.672 15.199 -7.670 1.00 0.70 C ATOM 248 ND1 HIS A 23 -8.399 15.369 -7.332 1.00 0.68 N ATOM 249 CD2 HIS A 23 -9.781 15.439 -8.973 1.00 0.73 C ATOM 250 CE1 HIS A 23 -7.718 15.731 -8.417 1.00 0.70 C ATOM 251 NE2 HIS A 23 -8.575 15.774 -9.432 1.00 0.73 N ATOM 0 H HIS A 23 -12.169 13.502 -4.786 1.00 0.66 H new ATOM 0 HA HIS A 23 -10.703 12.769 -7.282 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -11.760 15.092 -7.141 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -10.698 15.414 -5.785 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -10.687 15.374 -9.557 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -6.661 15.950 -8.464 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -8.349 16.021 -10.396 1.00 0.73 H new ATOM 259 N PRO A 24 -8.493 12.475 -6.123 1.00 0.61 N ATOM 260 CA PRO A 24 -7.197 12.171 -5.484 1.00 0.58 C ATOM 261 C PRO A 24 -6.664 13.330 -4.643 1.00 0.58 C ATOM 262 O PRO A 24 -5.850 13.102 -3.759 1.00 0.56 O ATOM 263 CB PRO A 24 -6.211 12.003 -6.633 1.00 0.60 C ATOM 264 CG PRO A 24 -7.073 11.482 -7.770 1.00 0.62 C ATOM 265 CD PRO A 24 -8.416 12.169 -7.568 1.00 0.64 C ATOM 0 HA PRO A 24 -7.317 11.302 -4.837 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -5.733 12.948 -6.893 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.415 11.302 -6.379 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -6.642 11.728 -8.741 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.171 10.397 -7.730 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -8.485 13.078 -8.165 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.237 11.522 -7.876 1.00 0.64 H new ATOM 273 N LYS A 25 -7.126 14.547 -4.925 1.00 0.61 N ATOM 274 CA LYS A 25 -6.734 15.774 -4.219 1.00 0.61 C ATOM 275 C LYS A 25 -6.877 15.649 -2.691 1.00 0.59 C ATOM 276 O LYS A 25 -6.110 16.242 -1.944 1.00 0.59 O ATOM 277 CB LYS A 25 -7.602 16.925 -4.722 1.00 0.65 C ATOM 278 CG LYS A 25 -6.772 18.203 -4.825 1.00 0.67 C ATOM 279 CD LYS A 25 -7.578 19.393 -5.350 1.00 0.70 C ATOM 280 CE LYS A 25 -8.607 19.883 -4.329 1.00 0.71 C ATOM 281 NZ LYS A 25 -8.489 21.337 -4.163 1.00 0.74 N ATOM 0 H LYS A 25 -7.802 14.715 -5.670 1.00 0.61 H new ATOM 0 HA LYS A 25 -5.680 15.959 -4.426 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.022 16.675 -5.697 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -8.441 17.081 -4.044 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.368 18.449 -3.843 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -5.922 18.027 -5.484 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -6.899 20.208 -5.601 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.088 19.108 -6.270 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -9.613 19.626 -4.661 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -8.450 19.385 -3.372 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.190 21.665 -3.468 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -7.533 21.572 -3.827 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -8.660 21.806 -5.076 1.00 0.74 H new ATOM 295 N MET A 26 -7.823 14.809 -2.270 1.00 0.58 N ATOM 296 CA MET A 26 -8.048 14.491 -0.847 1.00 0.58 C ATOM 297 C MET A 26 -7.195 13.317 -0.338 1.00 0.54 C ATOM 298 O MET A 26 -7.014 13.136 0.870 1.00 0.54 O ATOM 299 CB MET A 26 -9.537 14.228 -0.604 1.00 0.59 C ATOM 300 CG MET A 26 -10.392 15.490 -0.799 1.00 0.67 C ATOM 301 SD MET A 26 -10.160 16.770 0.493 1.00 0.79 S ATOM 302 CE MET A 26 -9.071 17.921 -0.321 1.00 1.08 C ATOM 0 H MET A 26 -8.460 14.325 -2.903 1.00 0.58 H new ATOM 0 HA MET A 26 -7.728 15.361 -0.273 1.00 0.58 H new ATOM 0 HB2 MET A 26 -9.882 13.450 -1.285 1.00 0.59 H new ATOM 0 HB3 MET A 26 -9.676 13.850 0.409 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.159 15.926 -1.771 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.443 15.202 -0.823 1.00 0.67 H new ATOM 0 HE1 MET A 26 -8.370 18.334 0.404 1.00 1.08 H new ATOM 0 HE2 MET A 26 -8.518 17.406 -1.107 1.00 1.08 H new ATOM 0 HE3 MET A 26 -9.657 18.728 -0.760 1.00 1.08 H new ATOM 312 N ILE A 27 -6.688 12.503 -1.258 1.00 0.52 N ATOM 313 CA ILE A 27 -5.875 11.336 -0.894 1.00 0.50 C ATOM 314 C ILE A 27 -4.382 11.673 -0.904 1.00 0.51 C ATOM 315 O ILE A 27 -3.928 12.497 -1.697 1.00 0.58 O ATOM 316 CB ILE A 27 -6.137 10.153 -1.862 1.00 0.53 C ATOM 317 CG1 ILE A 27 -7.639 9.983 -2.121 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.542 8.860 -1.312 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.454 9.676 -0.879 1.00 0.57 C ATOM 0 H ILE A 27 -6.823 12.625 -2.262 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.165 11.046 0.116 1.00 0.50 H new ATOM 0 HB ILE A 27 -5.649 10.380 -2.810 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.023 10.895 -2.577 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -7.783 9.180 -2.844 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -5.738 8.044 -2.008 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.466 8.979 -1.187 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -5.996 8.632 -0.348 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.505 9.571 -1.150 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.100 8.747 -0.432 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.344 10.489 -0.161 1.00 0.57 H new ATOM 331 N SER A 28 -3.622 11.034 -0.012 1.00 0.49 N ATOM 332 CA SER A 28 -2.184 11.269 0.079 1.00 0.54 C ATOM 333 C SER A 28 -1.419 9.965 0.316 1.00 0.55 C ATOM 334 O SER A 28 -0.263 9.833 -0.086 1.00 0.69 O ATOM 335 CB SER A 28 -1.877 12.255 1.210 1.00 0.61 C ATOM 336 OG SER A 28 -2.609 13.461 1.056 1.00 0.69 O ATOM 0 H SER A 28 -3.980 10.351 0.656 1.00 0.49 H new ATOM 0 HA SER A 28 -1.858 11.691 -0.872 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.121 11.799 2.169 1.00 0.61 H new ATOM 0 HB3 SER A 28 -0.809 12.474 1.224 1.00 0.61 H new ATOM 0 HG SER A 28 -2.099 14.204 1.441 1.00 0.69 H new ATOM 342 N ASN A 29 -2.068 9.004 0.968 1.00 0.51 N ATOM 343 CA ASN A 29 -1.439 7.720 1.269 1.00 0.51 C ATOM 344 C ASN A 29 -2.287 6.557 0.752 1.00 0.50 C ATOM 345 O ASN A 29 -3.511 6.563 0.882 1.00 0.51 O ATOM 346 CB ASN A 29 -1.229 7.586 2.780 1.00 0.54 C ATOM 347 CG ASN A 29 -0.492 6.318 3.167 1.00 0.57 C ATOM 348 OD1 ASN A 29 0.371 5.836 2.432 1.00 0.64 O ATOM 349 ND2 ASN A 29 -0.832 5.768 4.326 1.00 0.78 N ATOM 0 H ASN A 29 -3.029 9.090 1.298 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.473 7.685 0.765 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -0.670 8.449 3.141 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.198 7.603 3.279 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -0.373 4.913 4.639 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -1.552 6.201 4.904 1.00 0.78 H new ATOM 356 N LEU A 30 -1.621 5.561 0.168 1.00 0.54 N ATOM 357 CA LEU A 30 -2.302 4.388 -0.363 1.00 0.56 C ATOM 358 C LEU A 30 -1.793 3.115 0.308 1.00 0.57 C ATOM 359 O LEU A 30 -0.622 3.019 0.666 1.00 0.74 O ATOM 360 CB LEU A 30 -2.099 4.294 -1.880 1.00 0.60 C ATOM 361 CG LEU A 30 -2.922 3.210 -2.583 1.00 0.67 C ATOM 362 CD1 LEU A 30 -4.401 3.560 -2.568 1.00 0.69 C ATOM 363 CD2 LEU A 30 -2.438 3.011 -4.010 1.00 0.73 C ATOM 0 H LEU A 30 -0.608 5.546 0.052 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.366 4.491 -0.152 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -2.345 5.259 -2.324 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.043 4.112 -2.078 1.00 0.60 H new ATOM 0 HG LEU A 30 -2.786 2.275 -2.039 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -4.966 2.776 -3.073 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -4.744 3.648 -1.537 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -4.556 4.508 -3.084 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -3.035 2.237 -4.492 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -2.540 3.945 -4.562 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -1.391 2.708 -4.000 1.00 0.73 H new ATOM 375 N GLN A 31 -2.690 2.147 0.486 1.00 0.50 N ATOM 376 CA GLN A 31 -2.349 0.866 1.105 1.00 0.51 C ATOM 377 C GLN A 31 -3.055 -0.279 0.376 1.00 0.52 C ATOM 378 O GLN A 31 -4.231 -0.554 0.621 1.00 0.61 O ATOM 379 CB GLN A 31 -2.747 0.860 2.585 1.00 0.54 C ATOM 380 CG GLN A 31 -1.927 1.800 3.459 1.00 0.61 C ATOM 381 CD GLN A 31 -2.638 2.169 4.747 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.382 3.148 4.797 1.00 1.16 O ATOM 383 NE2 GLN A 31 -2.412 1.388 5.797 1.00 1.16 N ATOM 0 H GLN A 31 -3.668 2.227 0.207 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.271 0.727 1.030 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -3.799 1.132 2.667 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.649 -0.154 2.971 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -0.973 1.329 3.697 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -1.703 2.708 2.899 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -1.787 0.586 5.711 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -2.863 1.590 6.689 1.00 1.16 H new ATOM 392 N VAL A 32 -2.331 -0.940 -0.523 1.00 0.49 N ATOM 393 CA VAL A 32 -2.884 -2.049 -1.296 1.00 0.51 C ATOM 394 C VAL A 32 -2.647 -3.383 -0.596 1.00 0.50 C ATOM 395 O VAL A 32 -1.519 -3.868 -0.535 1.00 0.61 O ATOM 396 CB VAL A 32 -2.277 -2.111 -2.716 1.00 0.56 C ATOM 397 CG1 VAL A 32 -2.953 -3.189 -3.552 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.378 -0.758 -3.402 1.00 0.59 C ATOM 0 H VAL A 32 -1.356 -0.726 -0.735 1.00 0.49 H new ATOM 0 HA VAL A 32 -3.956 -1.869 -1.376 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.223 -2.370 -2.621 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.507 -3.211 -4.546 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -2.819 -4.159 -3.072 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -4.017 -2.970 -3.637 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -1.945 -0.823 -4.400 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.425 -0.466 -3.479 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.836 -0.013 -2.819 1.00 0.59 H new ATOM 408 N PHE A 33 -3.716 -3.973 -0.077 1.00 0.48 N ATOM 409 CA PHE A 33 -3.627 -5.252 0.619 1.00 0.49 C ATOM 410 C PHE A 33 -4.131 -6.387 -0.265 1.00 0.52 C ATOM 411 O PHE A 33 -5.242 -6.328 -0.792 1.00 0.57 O ATOM 412 CB PHE A 33 -4.437 -5.211 1.916 1.00 0.52 C ATOM 413 CG PHE A 33 -3.772 -4.442 3.023 1.00 0.53 C ATOM 414 CD1 PHE A 33 -2.820 -5.050 3.825 1.00 0.63 C ATOM 415 CD2 PHE A 33 -4.101 -3.116 3.264 1.00 0.60 C ATOM 416 CE1 PHE A 33 -2.208 -4.351 4.848 1.00 0.73 C ATOM 417 CE2 PHE A 33 -3.491 -2.413 4.288 1.00 0.68 C ATOM 418 CZ PHE A 33 -2.543 -3.032 5.080 1.00 0.72 C ATOM 0 H PHE A 33 -4.658 -3.585 -0.125 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.579 -5.433 0.857 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.411 -4.766 1.711 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.618 -6.232 2.253 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -2.553 -6.082 3.649 1.00 0.63 H new ATOM 0 HD2 PHE A 33 -4.840 -2.628 2.646 1.00 0.60 H new ATOM 0 HE1 PHE A 33 -1.467 -4.837 5.466 1.00 0.73 H new ATOM 0 HE2 PHE A 33 -3.756 -1.382 4.468 1.00 0.68 H new ATOM 0 HZ PHE A 33 -2.065 -2.485 5.879 1.00 0.72 H new ATOM 428 N ALA A 34 -3.307 -7.421 -0.427 1.00 0.53 N ATOM 429 CA ALA A 34 -3.679 -8.568 -1.250 1.00 0.58 C ATOM 430 C ALA A 34 -4.390 -9.646 -0.427 1.00 0.58 C ATOM 431 O ALA A 34 -5.171 -9.339 0.476 1.00 0.62 O ATOM 432 CB ALA A 34 -2.449 -9.139 -1.944 1.00 0.66 C ATOM 0 H ALA A 34 -2.382 -7.487 -0.001 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.382 -8.224 -2.009 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.740 -9.994 -2.555 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -2.002 -8.374 -2.579 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.724 -9.458 -1.195 1.00 0.66 H new ATOM 438 N ILE A 35 -4.119 -10.911 -0.753 1.00 0.63 N ATOM 439 CA ILE A 35 -4.731 -12.042 -0.060 1.00 0.65 C ATOM 440 C ILE A 35 -4.186 -12.185 1.361 1.00 0.62 C ATOM 441 O ILE A 35 -2.973 -12.190 1.575 1.00 0.68 O ATOM 442 CB ILE A 35 -4.487 -13.359 -0.831 1.00 0.77 C ATOM 443 CG1 ILE A 35 -4.863 -13.189 -2.306 1.00 0.91 C ATOM 444 CG2 ILE A 35 -5.278 -14.502 -0.206 1.00 0.80 C ATOM 445 CD1 ILE A 35 -4.428 -14.346 -3.181 1.00 1.14 C ATOM 0 H ILE A 35 -3.475 -11.177 -1.498 1.00 0.63 H new ATOM 0 HA ILE A 35 -5.802 -11.845 -0.010 1.00 0.65 H new ATOM 0 HB ILE A 35 -3.427 -13.604 -0.769 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -5.944 -13.071 -2.385 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -4.413 -12.270 -2.683 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -5.093 -15.420 -0.763 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -4.966 -14.637 0.830 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -6.342 -14.268 -0.237 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -4.728 -14.156 -4.211 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -3.344 -14.452 -3.132 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -4.898 -15.265 -2.830 1.00 1.14 H new ATOM 457 N GLY A 36 -5.094 -12.298 2.326 1.00 0.61 N ATOM 458 CA GLY A 36 -4.693 -12.441 3.713 1.00 0.63 C ATOM 459 C GLY A 36 -5.459 -13.540 4.428 1.00 0.65 C ATOM 460 O GLY A 36 -6.302 -14.204 3.825 1.00 0.66 O ATOM 0 H GLY A 36 -6.102 -12.293 2.171 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.626 -12.657 3.759 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.850 -11.496 4.233 1.00 0.63 H new ATOM 464 N PRO A 37 -5.179 -13.759 5.728 1.00 0.69 N ATOM 465 CA PRO A 37 -5.852 -14.788 6.531 1.00 0.74 C ATOM 466 C PRO A 37 -7.258 -14.369 6.960 1.00 0.72 C ATOM 467 O PRO A 37 -8.015 -15.166 7.512 1.00 0.77 O ATOM 468 CB PRO A 37 -4.944 -14.936 7.766 1.00 0.81 C ATOM 469 CG PRO A 37 -3.743 -14.081 7.508 1.00 0.79 C ATOM 470 CD PRO A 37 -4.177 -13.039 6.520 1.00 0.71 C ATOM 0 HA PRO A 37 -5.987 -15.712 5.968 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.462 -14.616 8.670 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -4.656 -15.977 7.915 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -3.388 -13.620 8.430 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -2.920 -14.675 7.111 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.600 -12.163 7.012 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -3.347 -12.690 5.906 1.00 0.71 H new ATOM 478 N GLN A 38 -7.595 -13.110 6.701 1.00 0.66 N ATOM 479 CA GLN A 38 -8.913 -12.567 7.063 1.00 0.65 C ATOM 480 C GLN A 38 -9.800 -12.274 5.843 1.00 0.61 C ATOM 481 O GLN A 38 -11.013 -12.130 5.968 1.00 0.62 O ATOM 482 CB GLN A 38 -8.717 -11.305 7.912 1.00 0.65 C ATOM 483 CG GLN A 38 -8.004 -10.164 7.178 1.00 0.60 C ATOM 484 CD GLN A 38 -7.852 -8.956 8.097 1.00 0.63 C ATOM 485 OE1 GLN A 38 -7.200 -8.988 9.127 1.00 0.73 O ATOM 486 NE2 GLN A 38 -8.416 -7.848 7.681 1.00 0.61 N ATOM 0 H GLN A 38 -6.978 -12.441 6.242 1.00 0.66 H new ATOM 0 HA GLN A 38 -9.441 -13.328 7.638 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.691 -10.953 8.251 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -8.144 -11.564 8.803 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -7.023 -10.497 6.839 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -8.570 -9.884 6.289 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.957 -7.845 6.816 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -8.314 -6.989 8.222 1.00 0.61 H new ATOM 495 N CYS A 39 -9.164 -12.119 4.683 1.00 0.57 N ATOM 496 CA CYS A 39 -9.875 -11.794 3.452 1.00 0.55 C ATOM 497 C CYS A 39 -9.253 -12.512 2.259 1.00 0.61 C ATOM 498 O CYS A 39 -8.037 -12.477 2.070 1.00 0.71 O ATOM 499 CB CYS A 39 -9.833 -10.276 3.233 1.00 0.49 C ATOM 500 SG CYS A 39 -11.224 -9.601 2.266 1.00 0.47 S ATOM 0 H CYS A 39 -8.155 -12.214 4.572 1.00 0.57 H new ATOM 0 HA CYS A 39 -10.909 -12.125 3.543 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.813 -9.784 4.205 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.901 -10.022 2.728 1.00 0.49 H new ATOM 505 N SER A 40 -10.090 -13.159 1.455 1.00 0.67 N ATOM 506 CA SER A 40 -9.618 -13.886 0.280 1.00 0.78 C ATOM 507 C SER A 40 -9.533 -12.965 -0.938 1.00 0.74 C ATOM 508 O SER A 40 -8.795 -13.240 -1.884 1.00 0.97 O ATOM 509 CB SER A 40 -10.546 -15.066 -0.017 1.00 0.92 C ATOM 510 OG SER A 40 -10.053 -15.847 -1.092 1.00 1.07 O ATOM 0 H SER A 40 -11.100 -13.195 1.595 1.00 0.67 H new ATOM 0 HA SER A 40 -8.617 -14.263 0.493 1.00 0.78 H new ATOM 0 HB2 SER A 40 -10.644 -15.688 0.873 1.00 0.92 H new ATOM 0 HB3 SER A 40 -11.542 -14.697 -0.259 1.00 0.92 H new ATOM 0 HG SER A 40 -10.664 -16.595 -1.260 1.00 1.07 H new ATOM 516 N LYS A 41 -10.286 -11.871 -0.900 1.00 0.72 N ATOM 517 CA LYS A 41 -10.301 -10.907 -1.995 1.00 0.69 C ATOM 518 C LYS A 41 -9.409 -9.713 -1.666 1.00 0.68 C ATOM 519 O LYS A 41 -9.200 -9.390 -0.496 1.00 0.70 O ATOM 520 CB LYS A 41 -11.737 -10.440 -2.259 1.00 0.68 C ATOM 521 CG LYS A 41 -11.952 -9.855 -3.645 1.00 0.77 C ATOM 522 CD LYS A 41 -13.430 -9.780 -3.990 1.00 0.88 C ATOM 523 CE LYS A 41 -13.652 -9.264 -5.401 1.00 1.07 C ATOM 524 NZ LYS A 41 -15.078 -9.369 -5.810 1.00 1.29 N ATOM 0 H LYS A 41 -10.896 -11.629 -0.119 1.00 0.72 H new ATOM 0 HA LYS A 41 -9.914 -11.389 -2.893 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -12.413 -11.284 -2.123 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -12.007 -9.692 -1.514 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -11.514 -8.858 -3.693 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -11.434 -10.466 -4.384 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -13.878 -10.769 -3.889 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -13.937 -9.127 -3.280 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -13.332 -8.224 -5.462 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -13.032 -9.830 -6.097 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.339 -8.536 -6.375 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -15.214 -10.229 -6.378 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -15.680 -9.415 -4.963 1.00 1.29 H new ATOM 538 N VAL A 42 -8.881 -9.062 -2.701 1.00 0.67 N ATOM 539 CA VAL A 42 -8.013 -7.905 -2.505 1.00 0.68 C ATOM 540 C VAL A 42 -8.831 -6.637 -2.270 1.00 0.67 C ATOM 541 O VAL A 42 -9.850 -6.404 -2.924 1.00 0.75 O ATOM 542 CB VAL A 42 -7.049 -7.692 -3.694 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.182 -8.924 -3.897 1.00 0.80 C ATOM 544 CG2 VAL A 42 -7.805 -7.354 -4.971 1.00 0.83 C ATOM 0 H VAL A 42 -9.038 -9.314 -3.677 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.414 -8.113 -1.618 1.00 0.68 H new ATOM 0 HB VAL A 42 -6.407 -6.844 -3.457 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -5.508 -8.760 -4.738 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.599 -9.111 -2.995 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -6.817 -9.786 -4.104 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -7.096 -7.211 -5.786 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -8.483 -8.170 -5.219 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -8.378 -6.438 -4.823 1.00 0.83 H new ATOM 554 N GLU A 43 -8.385 -5.834 -1.311 1.00 0.60 N ATOM 555 CA GLU A 43 -9.063 -4.589 -0.969 1.00 0.59 C ATOM 556 C GLU A 43 -8.054 -3.451 -0.872 1.00 0.58 C ATOM 557 O GLU A 43 -6.965 -3.623 -0.325 1.00 0.63 O ATOM 558 CB GLU A 43 -9.819 -4.745 0.355 1.00 0.60 C ATOM 559 CG GLU A 43 -10.622 -6.036 0.441 1.00 0.66 C ATOM 560 CD GLU A 43 -11.388 -6.171 1.739 1.00 0.70 C ATOM 561 OE1 GLU A 43 -10.750 -6.180 2.812 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.628 -6.281 1.680 1.00 0.79 O ATOM 0 H GLU A 43 -7.552 -6.024 -0.754 1.00 0.60 H new ATOM 0 HA GLU A 43 -9.781 -4.352 -1.754 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.106 -4.713 1.179 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.492 -3.897 0.483 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.322 -6.078 -0.394 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -9.947 -6.885 0.334 1.00 0.66 H new ATOM 569 N VAL A 44 -8.417 -2.289 -1.406 1.00 0.55 N ATOM 570 CA VAL A 44 -7.520 -1.139 -1.385 1.00 0.56 C ATOM 571 C VAL A 44 -7.974 -0.074 -0.390 1.00 0.54 C ATOM 572 O VAL A 44 -9.020 0.556 -0.556 1.00 0.57 O ATOM 573 CB VAL A 44 -7.366 -0.500 -2.785 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.460 -1.349 -3.664 1.00 0.66 C ATOM 575 CG2 VAL A 44 -8.720 -0.301 -3.452 1.00 0.64 C ATOM 0 H VAL A 44 -9.317 -2.119 -1.855 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.551 -1.523 -1.066 1.00 0.56 H new ATOM 0 HB VAL A 44 -6.907 0.480 -2.656 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.364 -0.883 -4.645 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.476 -1.429 -3.202 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -6.890 -2.344 -3.776 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.579 0.150 -4.434 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.216 -1.265 -3.563 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.336 0.355 -2.837 1.00 0.64 H new ATOM 585 N VAL A 45 -7.180 0.108 0.657 1.00 0.51 N ATOM 586 CA VAL A 45 -7.471 1.129 1.686 1.00 0.50 C ATOM 587 C VAL A 45 -6.573 2.371 1.497 1.00 0.51 C ATOM 588 O VAL A 45 -5.514 2.334 0.868 1.00 0.54 O ATOM 589 CB VAL A 45 -7.411 0.557 3.123 1.00 0.51 C ATOM 590 CG1 VAL A 45 -7.721 -0.923 3.171 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.047 0.546 3.772 1.00 0.67 C ATOM 0 H VAL A 45 -6.330 -0.430 0.826 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.503 1.452 1.547 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.118 1.218 3.624 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.665 -1.273 4.202 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -8.724 -1.097 2.782 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -6.997 -1.466 2.564 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.124 0.125 4.774 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.365 -0.060 3.175 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -5.666 1.565 3.835 1.00 0.67 H new ATOM 601 N ALA A 46 -7.104 3.513 1.898 1.00 0.52 N ATOM 602 CA ALA A 46 -6.386 4.800 1.793 1.00 0.54 C ATOM 603 C ALA A 46 -6.626 5.668 3.029 1.00 0.55 C ATOM 604 O ALA A 46 -7.634 5.516 3.727 1.00 0.55 O ATOM 605 CB ALA A 46 -6.836 5.543 0.529 1.00 0.58 C ATOM 0 H ALA A 46 -8.036 3.589 2.304 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.318 4.594 1.730 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.304 6.492 0.456 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -6.616 4.935 -0.348 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -7.908 5.732 0.580 1.00 0.58 H new ATOM 611 N SER A 47 -5.660 6.535 3.302 1.00 0.57 N ATOM 612 CA SER A 47 -5.745 7.499 4.414 1.00 0.60 C ATOM 613 C SER A 47 -5.564 8.926 3.897 1.00 0.64 C ATOM 614 O SER A 47 -4.646 9.232 3.124 1.00 0.65 O ATOM 615 CB SER A 47 -4.682 7.224 5.477 1.00 0.63 C ATOM 616 OG SER A 47 -4.780 5.870 5.923 1.00 0.62 O ATOM 0 H SER A 47 -4.794 6.598 2.766 1.00 0.57 H new ATOM 0 HA SER A 47 -6.732 7.386 4.863 1.00 0.60 H new ATOM 0 HB2 SER A 47 -3.689 7.410 5.068 1.00 0.63 H new ATOM 0 HB3 SER A 47 -4.813 7.904 6.319 1.00 0.63 H new ATOM 0 HG SER A 47 -4.177 5.307 5.394 1.00 0.62 H new ATOM 622 N LEU A 48 -6.455 9.807 4.337 1.00 0.66 N ATOM 623 CA LEU A 48 -6.419 11.209 3.945 1.00 0.71 C ATOM 624 C LEU A 48 -5.403 11.975 4.788 1.00 0.74 C ATOM 625 O LEU A 48 -4.892 11.456 5.782 1.00 0.74 O ATOM 626 CB LEU A 48 -7.806 11.846 4.104 1.00 0.72 C ATOM 627 CG LEU A 48 -8.830 11.489 3.022 1.00 0.74 C ATOM 628 CD1 LEU A 48 -9.413 10.102 3.258 1.00 0.72 C ATOM 629 CD2 LEU A 48 -9.938 12.530 2.978 1.00 0.79 C ATOM 0 H LEU A 48 -7.218 9.571 4.972 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.121 11.261 2.898 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.211 11.553 5.072 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -7.688 12.929 4.123 1.00 0.72 H new ATOM 0 HG LEU A 48 -8.318 11.481 2.060 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.137 9.874 2.476 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -8.612 9.363 3.238 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -9.908 10.076 4.229 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -10.658 12.263 2.204 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -10.441 12.567 3.944 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -9.510 13.507 2.754 1.00 0.79 H new ATOM 641 N LYS A 49 -5.117 13.212 4.389 1.00 0.80 N ATOM 642 CA LYS A 49 -4.168 14.050 5.113 1.00 0.86 C ATOM 643 C LYS A 49 -4.818 14.641 6.368 1.00 0.87 C ATOM 644 O LYS A 49 -4.138 15.193 7.235 1.00 0.93 O ATOM 645 CB LYS A 49 -3.650 15.170 4.202 1.00 0.94 C ATOM 646 CG LYS A 49 -2.425 15.894 4.744 1.00 1.01 C ATOM 647 CD LYS A 49 -1.228 14.962 4.865 1.00 1.07 C ATOM 648 CE LYS A 49 -0.024 15.675 5.457 1.00 1.20 C ATOM 649 NZ LYS A 49 -0.307 16.210 6.818 1.00 1.23 N ATOM 0 H LYS A 49 -5.529 13.655 3.568 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.326 13.431 5.423 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -3.408 14.748 3.227 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -4.448 15.896 4.046 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -2.173 16.726 4.086 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -2.656 16.319 5.721 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -1.491 14.109 5.491 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -0.972 14.568 3.882 1.00 1.07 H new ATOM 0 HE2 LYS A 49 0.818 14.985 5.507 1.00 1.20 H new ATOM 0 HE3 LYS A 49 0.272 16.493 4.800 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 0.589 16.442 7.293 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -0.890 17.068 6.740 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -0.817 15.494 7.373 1.00 1.23 H new ATOM 663 N ASN A 50 -6.139 14.505 6.458 1.00 0.84 N ATOM 664 CA ASN A 50 -6.894 15.015 7.599 1.00 0.88 C ATOM 665 C ASN A 50 -6.903 14.004 8.745 1.00 0.84 C ATOM 666 O ASN A 50 -7.302 14.327 9.865 1.00 1.01 O ATOM 667 CB ASN A 50 -8.331 15.335 7.180 1.00 0.90 C ATOM 668 CG ASN A 50 -8.398 16.354 6.057 1.00 0.98 C ATOM 669 OD1 ASN A 50 -7.552 17.242 5.956 1.00 1.05 O ATOM 670 ND2 ASN A 50 -9.409 16.228 5.206 1.00 1.01 N ATOM 0 H ASN A 50 -6.711 14.043 5.750 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.408 15.927 7.946 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -8.826 14.417 6.863 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -8.881 15.713 8.042 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -9.507 16.883 4.430 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.088 15.476 5.328 1.00 1.01 H new ATOM 677 N GLY A 51 -6.462 12.780 8.457 1.00 0.70 N ATOM 678 CA GLY A 51 -6.431 11.741 9.473 1.00 0.69 C ATOM 679 C GLY A 51 -7.637 10.824 9.397 1.00 0.64 C ATOM 680 O GLY A 51 -8.199 10.440 10.423 1.00 0.69 O ATOM 0 H GLY A 51 -6.126 12.490 7.539 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.521 11.151 9.359 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.390 12.202 10.460 1.00 0.69 H new ATOM 684 N LYS A 52 -8.036 10.478 8.176 1.00 0.60 N ATOM 685 CA LYS A 52 -9.184 9.603 7.962 1.00 0.57 C ATOM 686 C LYS A 52 -8.805 8.411 7.088 1.00 0.53 C ATOM 687 O LYS A 52 -7.822 8.458 6.358 1.00 0.62 O ATOM 688 CB LYS A 52 -10.327 10.380 7.303 1.00 0.62 C ATOM 689 CG LYS A 52 -10.916 11.473 8.184 1.00 0.70 C ATOM 690 CD LYS A 52 -11.928 12.323 7.427 1.00 0.86 C ATOM 691 CE LYS A 52 -13.161 11.519 7.037 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.174 12.358 6.339 1.00 1.19 N ATOM 0 H LYS A 52 -7.580 10.791 7.319 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.511 9.233 8.934 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -9.963 10.828 6.378 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.118 9.682 7.029 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.397 11.021 9.052 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.114 12.109 8.559 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.226 13.170 8.045 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -11.462 12.732 6.530 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -12.866 10.693 6.390 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.606 11.081 7.930 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -14.997 11.773 6.091 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -14.475 13.132 6.965 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -13.758 12.756 5.473 1.00 1.19 H new ATOM 706 N GLU A 53 -9.589 7.345 7.178 1.00 0.52 N ATOM 707 CA GLU A 53 -9.353 6.128 6.382 1.00 0.49 C ATOM 708 C GLU A 53 -10.689 5.552 5.898 1.00 0.49 C ATOM 709 O GLU A 53 -11.645 5.413 6.666 1.00 0.51 O ATOM 710 CB GLU A 53 -8.587 5.100 7.224 1.00 0.49 C ATOM 711 CG GLU A 53 -9.418 4.593 8.411 1.00 0.63 C ATOM 712 CD GLU A 53 -8.618 3.750 9.390 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.648 4.314 9.942 1.00 0.64 O ATOM 714 OE2 GLU A 53 -9.047 2.600 9.618 1.00 0.69 O ATOM 0 H GLU A 53 -10.400 7.290 7.795 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.752 6.376 5.508 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.302 4.257 6.595 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.665 5.549 7.593 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.842 5.447 8.940 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -10.254 4.004 8.035 1.00 0.63 H new ATOM 721 N ILE A 54 -10.741 5.294 4.613 1.00 0.47 N ATOM 722 CA ILE A 54 -11.943 4.696 3.997 1.00 0.47 C ATOM 723 C ILE A 54 -11.549 3.454 3.184 1.00 0.45 C ATOM 724 O ILE A 54 -10.366 3.132 3.033 1.00 0.43 O ATOM 725 CB ILE A 54 -12.709 5.742 3.165 1.00 0.49 C ATOM 726 CG1 ILE A 54 -11.854 6.254 1.992 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.238 6.867 4.075 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.593 7.167 1.009 1.00 0.51 C ATOM 0 H ILE A 54 -9.979 5.481 3.961 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.629 4.367 4.778 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.581 5.270 2.712 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -10.997 6.795 2.394 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.462 5.397 1.445 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.777 7.599 3.473 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -13.911 6.445 4.822 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.401 7.354 4.575 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -11.911 7.477 0.218 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.433 6.627 0.573 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -12.961 8.047 1.536 1.00 0.51 H new ATOM 740 N CYS A 55 -12.563 2.841 2.596 1.00 0.46 N ATOM 741 CA CYS A 55 -12.384 1.667 1.732 1.00 0.44 C ATOM 742 C CYS A 55 -13.074 1.916 0.398 1.00 0.46 C ATOM 743 O CYS A 55 -14.213 2.371 0.333 1.00 0.49 O ATOM 744 CB CYS A 55 -13.007 0.439 2.379 1.00 0.45 C ATOM 745 SG CYS A 55 -12.119 -0.134 3.870 1.00 0.43 S ATOM 0 H CYS A 55 -13.534 3.136 2.698 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.317 1.498 1.583 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -14.040 0.664 2.646 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -13.035 -0.371 1.650 1.00 0.45 H new ATOM 750 N LEU A 56 -12.383 1.515 -0.646 1.00 0.46 N ATOM 751 CA LEU A 56 -12.876 1.702 -2.007 1.00 0.49 C ATOM 752 C LEU A 56 -13.156 0.325 -2.619 1.00 0.50 C ATOM 753 O LEU A 56 -12.522 -0.676 -2.268 1.00 0.48 O ATOM 754 CB LEU A 56 -11.769 2.502 -2.707 1.00 0.49 C ATOM 755 CG LEU A 56 -11.413 3.882 -2.139 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.462 4.583 -3.108 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.640 4.758 -1.881 1.00 0.51 C ATOM 0 H LEU A 56 -11.475 1.055 -0.586 1.00 0.46 H new ATOM 0 HA LEU A 56 -13.818 2.245 -2.090 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -10.864 1.895 -2.703 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.060 2.634 -3.749 1.00 0.49 H new ATOM 0 HG LEU A 56 -10.936 3.729 -1.171 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.201 5.566 -2.715 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.557 3.987 -3.224 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -10.948 4.697 -4.077 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.322 5.720 -1.480 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.178 4.914 -2.816 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.295 4.264 -1.163 1.00 0.51 H new ATOM 769 N ASP A 57 -14.092 0.285 -3.558 1.00 0.53 N ATOM 770 CA ASP A 57 -14.424 -0.956 -4.243 1.00 0.54 C ATOM 771 C ASP A 57 -13.749 -0.988 -5.609 1.00 0.57 C ATOM 772 O ASP A 57 -14.143 -0.253 -6.515 1.00 0.62 O ATOM 773 CB ASP A 57 -15.935 -1.097 -4.413 1.00 0.59 C ATOM 774 CG ASP A 57 -16.390 -2.540 -4.319 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.827 -3.387 -5.043 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.305 -2.821 -3.520 1.00 0.67 O ATOM 0 H ASP A 57 -14.633 1.095 -3.862 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.065 -1.789 -3.638 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.441 -0.508 -3.649 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.230 -0.687 -5.379 1.00 0.59 H new ATOM 781 N PRO A 58 -12.717 -1.842 -5.778 1.00 0.58 N ATOM 782 CA PRO A 58 -11.985 -1.959 -7.046 1.00 0.64 C ATOM 783 C PRO A 58 -12.838 -2.567 -8.159 1.00 0.73 C ATOM 784 O PRO A 58 -12.412 -2.636 -9.312 1.00 0.86 O ATOM 785 CB PRO A 58 -10.814 -2.894 -6.717 1.00 0.68 C ATOM 786 CG PRO A 58 -10.781 -3.012 -5.231 1.00 0.63 C ATOM 787 CD PRO A 58 -12.179 -2.749 -4.753 1.00 0.59 C ATOM 0 HA PRO A 58 -11.676 -0.981 -7.415 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -10.953 -3.870 -7.182 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -9.875 -2.491 -7.096 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.447 -4.004 -4.928 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.082 -2.295 -4.800 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -12.761 -3.668 -4.683 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.187 -2.290 -3.764 1.00 0.59 H new ATOM 795 N GLU A 59 -14.042 -3.003 -7.801 1.00 0.69 N ATOM 796 CA GLU A 59 -14.958 -3.604 -8.759 1.00 0.81 C ATOM 797 C GLU A 59 -15.685 -2.531 -9.570 1.00 0.87 C ATOM 798 O GLU A 59 -16.377 -2.843 -10.539 1.00 0.96 O ATOM 799 CB GLU A 59 -15.963 -4.500 -8.035 1.00 0.84 C ATOM 800 CG GLU A 59 -16.430 -5.689 -8.859 1.00 1.11 C ATOM 801 CD GLU A 59 -17.301 -6.643 -8.063 1.00 1.18 C ATOM 802 OE1 GLU A 59 -16.744 -7.547 -7.402 1.00 1.29 O ATOM 803 OE2 GLU A 59 -18.541 -6.486 -8.096 1.00 1.35 O ATOM 0 H GLU A 59 -14.405 -2.950 -6.849 1.00 0.69 H new ATOM 0 HA GLU A 59 -14.378 -4.213 -9.452 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -15.512 -4.864 -7.112 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -16.830 -3.903 -7.752 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -16.987 -5.330 -9.725 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -15.561 -6.227 -9.239 1.00 1.11 H new ATOM 810 N ALA A 60 -15.530 -1.262 -9.173 1.00 0.84 N ATOM 811 CA ALA A 60 -16.166 -0.165 -9.906 1.00 0.92 C ATOM 812 C ALA A 60 -15.147 0.539 -10.825 1.00 0.95 C ATOM 813 O ALA A 60 -14.063 0.916 -10.373 1.00 0.92 O ATOM 814 CB ALA A 60 -16.769 0.793 -8.885 1.00 0.91 C ATOM 0 H ALA A 60 -14.980 -0.974 -8.364 1.00 0.84 H new ATOM 0 HA ALA A 60 -16.956 -0.544 -10.555 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.251 1.622 -9.404 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.507 0.264 -8.282 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -15.981 1.179 -8.238 1.00 0.91 H new ATOM 820 N PRO A 61 -15.548 0.815 -12.073 1.00 1.04 N ATOM 821 CA PRO A 61 -14.685 1.463 -13.083 1.00 1.08 C ATOM 822 C PRO A 61 -14.301 2.905 -12.721 1.00 1.06 C ATOM 823 O PRO A 61 -13.122 3.250 -12.735 1.00 1.05 O ATOM 824 CB PRO A 61 -15.493 1.399 -14.379 1.00 1.20 C ATOM 825 CG PRO A 61 -16.943 1.427 -13.897 1.00 1.24 C ATOM 826 CD PRO A 61 -16.902 0.590 -12.620 1.00 1.13 C ATOM 0 HA PRO A 61 -13.725 0.952 -13.162 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -15.271 2.243 -15.033 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.275 0.492 -14.944 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -17.283 2.444 -13.701 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -17.621 1.001 -14.636 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -17.672 0.904 -11.915 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.074 -0.465 -12.831 1.00 1.13 H new ATOM 834 N PHE A 62 -15.273 3.664 -12.210 1.00 1.08 N ATOM 835 CA PHE A 62 -15.047 5.053 -11.751 1.00 1.08 C ATOM 836 C PHE A 62 -14.021 5.116 -10.616 1.00 0.97 C ATOM 837 O PHE A 62 -13.286 6.091 -10.474 1.00 0.97 O ATOM 838 CB PHE A 62 -16.354 5.713 -11.297 1.00 1.15 C ATOM 839 CG PHE A 62 -16.982 5.039 -10.075 1.00 1.13 C ATOM 840 CD1 PHE A 62 -16.617 5.442 -8.797 1.00 1.08 C ATOM 841 CD2 PHE A 62 -17.935 4.047 -10.252 1.00 1.18 C ATOM 842 CE1 PHE A 62 -17.211 4.855 -7.691 1.00 1.10 C ATOM 843 CE2 PHE A 62 -18.540 3.471 -9.145 1.00 1.19 C ATOM 844 CZ PHE A 62 -18.172 3.866 -7.868 1.00 1.15 C ATOM 0 H PHE A 62 -16.235 3.344 -12.100 1.00 1.08 H new ATOM 0 HA PHE A 62 -14.653 5.602 -12.606 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -16.162 6.761 -11.066 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -17.068 5.693 -12.121 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -15.871 6.212 -8.665 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -18.205 3.725 -11.247 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -16.929 5.165 -6.696 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -19.299 2.714 -9.278 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.633 3.404 -7.008 1.00 1.15 H new ATOM 854 N LEU A 63 -13.906 4.028 -9.872 1.00 0.89 N ATOM 855 CA LEU A 63 -12.945 3.953 -8.788 1.00 0.79 C ATOM 856 C LEU A 63 -11.551 3.630 -9.333 1.00 0.80 C ATOM 857 O LEU A 63 -10.543 3.952 -8.710 1.00 0.80 O ATOM 858 CB LEU A 63 -13.377 2.902 -7.777 1.00 0.72 C ATOM 859 CG LEU A 63 -12.817 3.105 -6.378 1.00 0.64 C ATOM 860 CD1 LEU A 63 -13.949 3.106 -5.365 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.788 2.027 -6.060 1.00 0.63 C ATOM 0 H LEU A 63 -14.467 3.186 -10.000 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.904 4.921 -8.289 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -14.466 2.895 -7.721 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -13.070 1.921 -8.139 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.314 4.070 -6.327 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.542 3.252 -4.364 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.643 3.914 -5.596 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.476 2.153 -5.407 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.395 2.184 -5.056 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.260 1.046 -6.116 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -10.972 2.079 -6.781 1.00 0.63 H new ATOM 873 N LYS A 64 -11.510 2.993 -10.505 1.00 0.85 N ATOM 874 CA LYS A 64 -10.250 2.633 -11.158 1.00 0.90 C ATOM 875 C LYS A 64 -9.628 3.861 -11.837 1.00 0.94 C ATOM 876 O LYS A 64 -8.443 3.878 -12.175 1.00 0.99 O ATOM 877 CB LYS A 64 -10.492 1.521 -12.187 1.00 1.00 C ATOM 878 CG LYS A 64 -9.221 0.993 -12.839 1.00 1.10 C ATOM 879 CD LYS A 64 -9.500 0.396 -14.210 1.00 1.26 C ATOM 880 CE LYS A 64 -9.797 1.475 -15.243 1.00 1.46 C ATOM 881 NZ LYS A 64 -10.022 0.901 -16.599 1.00 1.71 N ATOM 0 H LYS A 64 -12.342 2.714 -11.025 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.555 2.269 -10.402 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -11.008 0.694 -11.699 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.157 1.898 -12.964 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -8.497 1.803 -12.935 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -8.770 0.236 -12.197 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -8.640 -0.191 -14.533 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -10.346 -0.288 -14.144 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -10.679 2.038 -14.936 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -8.966 2.180 -15.281 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -10.221 1.668 -17.272 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -9.172 0.385 -16.903 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -10.831 0.248 -16.570 1.00 1.71 H new ATOM 895 N LYS A 65 -10.453 4.880 -12.036 1.00 0.94 N ATOM 896 CA LYS A 65 -10.022 6.148 -12.652 1.00 0.99 C ATOM 897 C LYS A 65 -9.256 7.056 -11.685 1.00 0.96 C ATOM 898 O LYS A 65 -8.078 7.339 -11.900 1.00 1.01 O ATOM 899 CB LYS A 65 -11.239 6.894 -13.185 1.00 1.02 C ATOM 900 CG LYS A 65 -11.915 6.123 -14.320 1.00 1.09 C ATOM 901 CD LYS A 65 -13.065 6.935 -14.923 1.00 1.15 C ATOM 902 CE LYS A 65 -12.586 8.218 -15.618 1.00 1.21 C ATOM 903 NZ LYS A 65 -11.707 7.920 -16.757 1.00 1.29 N ATOM 0 H LYS A 65 -11.440 4.861 -11.779 1.00 0.94 H new ATOM 0 HA LYS A 65 -9.338 5.891 -13.461 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.952 7.054 -12.376 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.936 7.878 -13.542 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -11.183 5.891 -15.094 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -12.294 5.172 -13.944 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -13.603 6.317 -15.642 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -13.772 7.196 -14.135 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -13.448 8.789 -15.963 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -12.054 8.844 -14.901 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -11.553 8.786 -17.313 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -10.794 7.566 -16.407 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -12.151 7.197 -17.358 1.00 1.29 H new ATOM 917 N VAL A 66 -9.893 7.359 -10.556 1.00 0.90 N ATOM 918 CA VAL A 66 -9.286 8.188 -9.522 1.00 0.88 C ATOM 919 C VAL A 66 -7.980 7.572 -8.999 1.00 0.88 C ATOM 920 O VAL A 66 -7.098 8.294 -8.535 1.00 0.91 O ATOM 921 CB VAL A 66 -10.260 8.428 -8.347 1.00 0.85 C ATOM 922 CG1 VAL A 66 -11.503 9.154 -8.836 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.643 7.120 -7.669 1.00 0.85 C ATOM 0 H VAL A 66 -10.836 7.039 -10.335 1.00 0.90 H new ATOM 0 HA VAL A 66 -9.054 9.148 -9.984 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.752 9.050 -7.610 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -12.182 9.317 -7.999 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -11.218 10.115 -9.265 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -12.002 8.551 -9.595 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -11.329 7.324 -6.847 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -11.128 6.464 -8.392 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.747 6.635 -7.282 1.00 0.85 H new ATOM 933 N ILE A 67 -7.851 6.238 -9.079 1.00 0.88 N ATOM 934 CA ILE A 67 -6.625 5.575 -8.635 1.00 0.91 C ATOM 935 C ILE A 67 -5.572 5.618 -9.740 1.00 0.98 C ATOM 936 O ILE A 67 -4.387 5.424 -9.483 1.00 1.05 O ATOM 937 CB ILE A 67 -6.843 4.116 -8.173 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.322 3.239 -9.330 1.00 0.93 C ATOM 939 CG2 ILE A 67 -7.828 4.070 -7.012 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.353 1.761 -9.002 1.00 1.00 C ATOM 0 H ILE A 67 -8.569 5.611 -9.441 1.00 0.88 H new ATOM 0 HA ILE A 67 -6.278 6.129 -7.763 1.00 0.91 H new ATOM 0 HB ILE A 67 -5.887 3.719 -7.831 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.322 3.557 -9.626 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.670 3.398 -10.189 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -7.972 3.036 -6.697 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.435 4.652 -6.178 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -8.783 4.489 -7.328 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -7.703 1.203 -9.870 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.350 1.426 -8.735 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -8.028 1.588 -8.164 1.00 1.00 H new ATOM 952 N GLN A 68 -6.012 5.842 -10.980 1.00 0.99 N ATOM 953 CA GLN A 68 -5.070 5.980 -12.102 1.00 1.08 C ATOM 954 C GLN A 68 -4.321 7.318 -12.016 1.00 1.06 C ATOM 955 O GLN A 68 -3.100 7.363 -12.157 1.00 1.09 O ATOM 956 CB GLN A 68 -5.826 5.892 -13.421 1.00 1.16 C ATOM 957 CG GLN A 68 -4.859 5.837 -14.597 1.00 1.27 C ATOM 958 CD GLN A 68 -5.624 5.720 -15.908 1.00 1.37 C ATOM 959 OE1 GLN A 68 -6.499 6.501 -16.252 1.00 1.41 O ATOM 960 NE2 GLN A 68 -5.244 4.723 -16.672 1.00 1.52 N ATOM 0 H GLN A 68 -6.996 5.931 -11.234 1.00 0.99 H new ATOM 0 HA GLN A 68 -4.341 5.171 -12.048 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -6.459 5.005 -13.424 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -6.484 6.754 -13.526 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -4.239 6.734 -14.609 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -4.187 4.987 -14.484 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -4.511 4.089 -16.355 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -5.682 4.582 -17.582 1.00 1.52 H new ATOM 969 N LYS A 69 -5.068 8.373 -11.679 1.00 1.05 N ATOM 970 CA LYS A 69 -4.529 9.730 -11.554 1.00 1.06 C ATOM 971 C LYS A 69 -3.404 9.840 -10.515 1.00 1.08 C ATOM 972 O LYS A 69 -2.556 10.721 -10.621 1.00 1.15 O ATOM 973 CB LYS A 69 -5.649 10.705 -11.184 1.00 1.03 C ATOM 974 CG LYS A 69 -6.706 10.872 -12.263 1.00 1.10 C ATOM 975 CD LYS A 69 -7.797 11.836 -11.821 1.00 1.19 C ATOM 976 CE LYS A 69 -8.815 12.074 -12.922 1.00 1.38 C ATOM 977 NZ LYS A 69 -9.871 13.037 -12.504 1.00 1.58 N ATOM 0 H LYS A 69 -6.067 8.310 -11.484 1.00 1.05 H new ATOM 0 HA LYS A 69 -4.102 9.983 -12.524 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -6.130 10.359 -10.269 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -5.211 11.679 -10.965 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -6.241 11.240 -13.177 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -7.147 9.903 -12.497 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -8.300 11.437 -10.940 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -7.348 12.785 -11.529 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -8.308 12.454 -13.809 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -9.277 11.127 -13.200 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -10.546 13.172 -13.284 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -10.372 12.663 -11.673 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -9.433 13.949 -12.263 1.00 1.58 H new ATOM 991 N ILE A 70 -3.400 8.965 -9.506 1.00 1.07 N ATOM 992 CA ILE A 70 -2.355 9.013 -8.480 1.00 1.12 C ATOM 993 C ILE A 70 -1.064 8.360 -8.975 1.00 1.25 C ATOM 994 O ILE A 70 0.007 8.568 -8.406 1.00 1.37 O ATOM 995 CB ILE A 70 -2.793 8.345 -7.155 1.00 1.09 C ATOM 996 CG1 ILE A 70 -2.916 6.828 -7.318 1.00 1.09 C ATOM 997 CG2 ILE A 70 -4.107 8.941 -6.669 1.00 1.14 C ATOM 998 CD1 ILE A 70 -3.276 6.101 -6.040 1.00 1.19 C ATOM 0 H ILE A 70 -4.094 8.228 -9.378 1.00 1.07 H new ATOM 0 HA ILE A 70 -2.175 10.070 -8.281 1.00 1.12 H new ATOM 0 HB ILE A 70 -2.025 8.540 -6.406 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -3.673 6.614 -8.072 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -1.971 6.435 -7.694 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.401 8.460 -5.736 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -3.982 10.011 -6.502 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -4.880 8.779 -7.420 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -3.345 5.031 -6.237 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -2.507 6.283 -5.289 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -4.236 6.464 -5.673 1.00 1.19 H new ATOM 1010 N LEU A 71 -1.179 7.573 -10.040 1.00 1.26 N ATOM 1011 CA LEU A 71 -0.029 6.894 -10.628 1.00 1.41 C ATOM 1012 C LEU A 71 0.546 7.731 -11.770 1.00 1.52 C ATOM 1013 O LEU A 71 1.762 7.894 -11.883 1.00 1.64 O ATOM 1014 CB LEU A 71 -0.439 5.513 -11.143 1.00 1.45 C ATOM 1015 CG LEU A 71 -1.177 4.633 -10.131 1.00 1.55 C ATOM 1016 CD1 LEU A 71 -1.826 3.450 -10.829 1.00 1.67 C ATOM 1017 CD2 LEU A 71 -0.227 4.156 -9.040 1.00 1.60 C ATOM 0 H LEU A 71 -2.062 7.389 -10.516 1.00 1.26 H new ATOM 0 HA LEU A 71 0.736 6.770 -9.862 1.00 1.41 H new ATOM 0 HB2 LEU A 71 -1.075 5.643 -12.019 1.00 1.45 H new ATOM 0 HB3 LEU A 71 0.456 4.986 -11.474 1.00 1.45 H new ATOM 0 HG LEU A 71 -1.960 5.230 -9.664 1.00 1.55 H new ATOM 0 HD11 LEU A 71 -2.346 2.835 -10.095 1.00 1.67 H new ATOM 0 HD12 LEU A 71 -2.539 3.811 -11.570 1.00 1.67 H new ATOM 0 HD13 LEU A 71 -1.059 2.854 -11.324 1.00 1.67 H new ATOM 0 HD21 LEU A 71 -0.771 3.532 -8.331 1.00 1.60 H new ATOM 0 HD22 LEU A 71 0.580 3.577 -9.488 1.00 1.60 H new ATOM 0 HD23 LEU A 71 0.191 5.018 -8.519 1.00 1.60 H new ATOM 1029 N ASP A 72 -0.344 8.255 -12.611 1.00 1.53 N ATOM 1030 CA ASP A 72 0.045 9.089 -13.741 1.00 1.68 C ATOM 1031 C ASP A 72 0.484 10.465 -13.255 1.00 1.68 C ATOM 1032 O ASP A 72 1.509 10.989 -13.687 1.00 1.76 O ATOM 1033 CB ASP A 72 -1.119 9.225 -14.726 1.00 1.76 C ATOM 1034 CG ASP A 72 -0.729 9.975 -15.984 1.00 2.00 C ATOM 1035 OD1 ASP A 72 -0.068 9.371 -16.854 1.00 2.21 O ATOM 1036 OD2 ASP A 72 -1.081 11.169 -16.099 1.00 2.06 O ATOM 0 H ASP A 72 -1.351 8.113 -12.527 1.00 1.53 H new ATOM 0 HA ASP A 72 0.882 8.614 -14.252 1.00 1.68 H new ATOM 0 HB2 ASP A 72 -1.481 8.233 -14.996 1.00 1.76 H new ATOM 0 HB3 ASP A 72 -1.945 9.744 -14.239 1.00 1.76 H new ATOM 1041 N GLY A 73 -0.295 11.041 -12.344 1.00 1.62 N ATOM 1042 CA GLY A 73 0.028 12.350 -11.804 1.00 1.66 C ATOM 1043 C GLY A 73 1.201 12.305 -10.843 1.00 1.69 C ATOM 1044 O GLY A 73 1.920 13.291 -10.692 1.00 1.77 O ATOM 0 H GLY A 73 -1.147 10.623 -11.969 1.00 1.62 H new ATOM 0 HA2 GLY A 73 0.259 13.031 -12.623 1.00 1.66 H new ATOM 0 HA3 GLY A 73 -0.844 12.753 -11.290 1.00 1.66 H new ATOM 1048 N GLY A 74 1.394 11.155 -10.198 1.00 1.67 N ATOM 1049 CA GLY A 74 2.490 10.996 -9.257 1.00 1.75 C ATOM 1050 C GLY A 74 3.828 10.804 -9.948 1.00 1.85 C ATOM 1051 O GLY A 74 4.879 11.075 -9.368 1.00 2.09 O ATOM 0 H GLY A 74 0.808 10.328 -10.312 1.00 1.67 H new ATOM 0 HA2 GLY A 74 2.541 11.873 -8.612 1.00 1.75 H new ATOM 0 HA3 GLY A 74 2.291 10.139 -8.614 1.00 1.75 H new ATOM 1055 N ASN A 75 3.786 10.333 -11.194 1.00 1.80 N ATOM 1056 CA ASN A 75 4.998 10.107 -11.975 1.00 1.90 C ATOM 1057 C ASN A 75 5.437 11.393 -12.672 1.00 1.93 C ATOM 1058 O ASN A 75 6.629 11.620 -12.888 1.00 2.01 O ATOM 1059 CB ASN A 75 4.759 8.999 -13.007 1.00 1.95 C ATOM 1060 CG ASN A 75 6.028 8.582 -13.730 1.00 2.13 C ATOM 1061 OD1 ASN A 75 6.782 7.737 -13.247 1.00 2.29 O ATOM 1062 ND2 ASN A 75 6.263 9.164 -14.901 1.00 2.25 N ATOM 0 H ASN A 75 2.922 10.100 -11.684 1.00 1.80 H new ATOM 0 HA ASN A 75 5.794 9.795 -11.298 1.00 1.90 H new ATOM 0 HB2 ASN A 75 4.329 8.131 -12.508 1.00 1.95 H new ATOM 0 HB3 ASN A 75 4.026 9.342 -13.738 1.00 1.95 H new ATOM 0 HD21 ASN A 75 7.095 8.915 -15.436 1.00 2.25 H new ATOM 0 HD22 ASN A 75 5.612 9.860 -15.265 1.00 2.25 H new ATOM 1069 N LYS A 76 4.464 12.237 -13.014 1.00 1.89 N ATOM 1070 CA LYS A 76 4.744 13.500 -13.687 1.00 1.95 C ATOM 1071 C LYS A 76 5.132 14.588 -12.680 1.00 1.94 C ATOM 1072 O LYS A 76 5.688 15.622 -13.055 1.00 2.06 O ATOM 1073 CB LYS A 76 3.524 13.943 -14.508 1.00 1.98 C ATOM 1074 CG LYS A 76 3.791 15.125 -15.430 1.00 2.12 C ATOM 1075 CD LYS A 76 4.811 14.782 -16.508 1.00 2.23 C ATOM 1076 CE LYS A 76 5.316 16.029 -17.217 1.00 2.43 C ATOM 1077 NZ LYS A 76 6.071 16.923 -16.295 1.00 2.44 N ATOM 0 H LYS A 76 3.474 12.066 -12.835 1.00 1.89 H new ATOM 0 HA LYS A 76 5.588 13.348 -14.359 1.00 1.95 H new ATOM 0 HB2 LYS A 76 3.177 13.101 -15.106 1.00 1.98 H new ATOM 0 HB3 LYS A 76 2.715 14.204 -13.825 1.00 1.98 H new ATOM 0 HG2 LYS A 76 2.858 15.438 -15.899 1.00 2.12 H new ATOM 0 HG3 LYS A 76 4.152 15.969 -14.843 1.00 2.12 H new ATOM 0 HD2 LYS A 76 5.651 14.252 -16.059 1.00 2.23 H new ATOM 0 HD3 LYS A 76 4.360 14.107 -17.235 1.00 2.23 H new ATOM 0 HE2 LYS A 76 5.958 15.739 -18.049 1.00 2.43 H new ATOM 0 HE3 LYS A 76 4.472 16.573 -17.641 1.00 2.43 H new ATOM 0 HZ1 LYS A 76 6.686 17.553 -16.849 1.00 2.44 H new ATOM 0 HZ2 LYS A 76 5.402 17.493 -15.739 1.00 2.44 H new ATOM 0 HZ3 LYS A 76 6.652 16.348 -15.652 1.00 2.44 H new ATOM 1091 N GLU A 77 4.838 14.341 -11.402 1.00 1.87 N ATOM 1092 CA GLU A 77 5.160 15.288 -10.335 1.00 1.89 C ATOM 1093 C GLU A 77 6.669 15.484 -10.219 1.00 1.98 C ATOM 1094 O GLU A 77 7.407 14.538 -9.938 1.00 2.00 O ATOM 1095 CB GLU A 77 4.590 14.799 -8.999 1.00 1.87 C ATOM 1096 CG GLU A 77 3.311 15.510 -8.583 1.00 1.96 C ATOM 1097 CD GLU A 77 3.535 16.976 -8.266 1.00 2.31 C ATOM 1098 OE1 GLU A 77 3.855 17.288 -7.101 1.00 2.58 O ATOM 1099 OE2 GLU A 77 3.390 17.812 -9.184 1.00 2.70 O ATOM 0 H GLU A 77 4.376 13.490 -11.081 1.00 1.87 H new ATOM 0 HA GLU A 77 4.706 16.247 -10.585 1.00 1.89 H new ATOM 0 HB2 GLU A 77 4.395 13.729 -9.067 1.00 1.87 H new ATOM 0 HB3 GLU A 77 5.341 14.937 -8.221 1.00 1.87 H new ATOM 0 HG2 GLU A 77 2.575 15.423 -9.382 1.00 1.96 H new ATOM 0 HG3 GLU A 77 2.891 15.013 -7.708 1.00 1.96 H new ATOM 1106 N ASN A 78 7.121 16.714 -10.451 1.00 2.12 N ATOM 1107 CA ASN A 78 8.544 17.028 -10.383 1.00 2.28 C ATOM 1108 C ASN A 78 8.858 17.967 -9.225 1.00 2.39 C ATOM 1109 O ASN A 78 8.651 19.192 -9.380 1.00 2.53 O ATOM 1110 CB ASN A 78 8.999 17.654 -11.701 1.00 2.46 C ATOM 1111 CG ASN A 78 8.944 16.675 -12.859 1.00 2.45 C ATOM 1112 OD1 ASN A 78 8.624 17.051 -13.988 1.00 2.56 O ATOM 1113 ND2 ASN A 78 9.266 15.411 -12.589 1.00 2.39 N ATOM 1114 OXT ASN A 78 9.333 17.472 -8.181 1.00 2.41 O ATOM 0 H ASN A 78 6.524 17.507 -10.687 1.00 2.12 H new ATOM 0 HA ASN A 78 9.085 16.098 -10.212 1.00 2.28 H new ATOM 0 HB2 ASN A 78 8.370 18.515 -11.927 1.00 2.46 H new ATOM 0 HB3 ASN A 78 10.018 18.024 -11.591 1.00 2.46 H new ATOM 0 HD21 ASN A 78 9.253 14.712 -13.332 1.00 2.39 H new ATOM 0 HD22 ASN A 78 9.525 15.142 -11.640 1.00 2.39 H new TER 1121 ASN A 78 ATOM 1122 N LEU B 8 7.679 20.363 16.092 1.00 0.80 N ATOM 1123 CA LEU B 8 8.195 20.937 14.829 1.00 0.77 C ATOM 1124 C LEU B 8 9.670 21.361 15.001 1.00 0.77 C ATOM 1125 O LEU B 8 9.999 22.480 15.388 1.00 0.79 O ATOM 1126 CB LEU B 8 7.294 22.109 14.400 1.00 0.78 C ATOM 1127 CG LEU B 8 7.598 22.716 13.016 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.343 23.414 12.495 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.702 23.780 13.043 1.00 0.77 C ATOM 0 HA LEU B 8 8.171 20.189 14.037 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.259 21.768 14.407 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.375 22.898 15.148 1.00 0.78 H new ATOM 0 HG LEU B 8 7.925 21.888 12.387 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.547 23.847 11.516 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.533 22.690 12.409 1.00 0.77 H new ATOM 0 HD13 LEU B 8 6.052 24.204 13.187 1.00 0.77 H new ATOM 0 HD21 LEU B 8 8.863 24.163 12.035 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.403 24.598 13.699 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.626 23.336 13.414 1.00 0.77 H new ATOM 1141 N ARG B 9 10.519 20.350 14.931 1.00 0.75 N ATOM 1142 CA ARG B 9 11.974 20.552 15.077 1.00 0.75 C ATOM 1143 C ARG B 9 12.748 19.842 13.966 1.00 0.72 C ATOM 1144 O ARG B 9 13.365 20.484 13.121 1.00 0.71 O ATOM 1145 CB ARG B 9 12.465 20.181 16.488 1.00 0.79 C ATOM 1146 CG ARG B 9 12.162 18.737 16.904 1.00 0.79 C ATOM 1147 CD ARG B 9 12.851 18.369 18.213 1.00 0.82 C ATOM 1148 NE ARG B 9 12.599 16.947 18.512 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.467 16.415 18.974 1.00 0.83 C ATOM 1150 NH1 ARG B 9 10.390 17.156 19.215 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.410 15.117 19.247 1.00 0.84 N ATOM 0 H ARG B 9 10.241 19.381 14.775 1.00 0.75 H new ATOM 0 HA ARG B 9 12.177 21.617 14.962 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.542 20.343 16.539 1.00 0.79 H new ATOM 0 HB3 ARG B 9 12.006 20.858 17.209 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.085 18.608 17.011 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.488 18.056 16.118 1.00 0.79 H new ATOM 0 HD2 ARG B 9 13.923 18.552 18.138 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.477 18.995 19.023 1.00 0.82 H new ATOM 0 HE ARG B 9 13.372 16.302 18.348 1.00 0.82 H new ATOM 0 HH11 ARG B 9 10.415 18.162 19.047 1.00 0.85 H new ATOM 0 HH12 ARG B 9 9.539 16.719 19.568 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.231 14.529 19.103 1.00 0.84 H new ATOM 0 HH22 ARG B 9 10.545 14.708 19.601 1.00 0.84 H new ATOM 1165 N GLU B 10 12.660 18.509 13.963 1.00 0.71 N ATOM 1166 CA GLU B 10 13.431 17.640 13.067 1.00 0.68 C ATOM 1167 C GLU B 10 12.679 16.333 12.812 1.00 0.66 C ATOM 1168 O GLU B 10 12.341 15.600 13.744 1.00 0.68 O ATOM 1169 CB GLU B 10 14.787 17.302 13.699 1.00 0.70 C ATOM 1170 CG GLU B 10 15.689 18.533 13.858 1.00 0.72 C ATOM 1171 CD GLU B 10 17.068 18.210 14.429 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.533 17.069 14.218 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.641 19.128 15.054 1.00 0.77 O ATOM 0 H GLU B 10 12.043 17.995 14.592 1.00 0.71 H new ATOM 0 HA GLU B 10 13.577 18.171 12.126 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.625 16.847 14.676 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.296 16.561 13.083 1.00 0.70 H new ATOM 0 HG2 GLU B 10 15.810 19.012 12.887 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.195 19.254 14.510 1.00 0.72 H new ATOM 1180 N LEU B 11 12.305 16.170 11.555 1.00 0.63 N ATOM 1181 CA LEU B 11 11.586 14.972 11.088 1.00 0.61 C ATOM 1182 C LEU B 11 12.320 14.347 9.901 1.00 0.58 C ATOM 1183 O LEU B 11 12.819 15.048 9.018 1.00 0.57 O ATOM 1184 CB LEU B 11 10.163 15.359 10.684 1.00 0.60 C ATOM 1185 CG LEU B 11 9.365 15.876 11.881 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.793 17.258 11.566 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.258 14.890 12.247 1.00 0.64 C ATOM 0 H LEU B 11 12.485 16.856 10.822 1.00 0.63 H new ATOM 0 HA LEU B 11 11.544 14.239 11.894 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.199 16.126 9.910 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.657 14.495 10.254 1.00 0.60 H new ATOM 0 HG LEU B 11 10.028 15.968 12.742 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.225 17.621 12.423 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.608 17.949 11.352 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.137 17.191 10.698 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.698 15.272 13.101 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.585 14.767 11.398 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.699 13.927 12.503 1.00 0.64 H new ATOM 1199 N ARG B 12 12.346 13.028 9.921 1.00 0.57 N ATOM 1200 CA ARG B 12 13.075 12.231 8.913 1.00 0.55 C ATOM 1201 C ARG B 12 12.057 11.597 7.971 1.00 0.52 C ATOM 1202 O ARG B 12 10.953 11.237 8.391 1.00 0.52 O ATOM 1203 CB ARG B 12 13.878 11.121 9.613 1.00 0.57 C ATOM 1204 CG ARG B 12 14.650 11.567 10.865 1.00 0.60 C ATOM 1205 CD ARG B 12 15.499 12.808 10.580 1.00 0.61 C ATOM 1206 NE ARG B 12 16.341 13.157 11.724 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.652 12.969 11.691 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.166 11.774 11.943 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.450 14.005 11.501 1.00 0.68 N ATOM 0 H ARG B 12 11.869 12.467 10.627 1.00 0.57 H new ATOM 0 HA ARG B 12 13.759 12.871 8.356 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.194 10.320 9.893 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.586 10.700 8.899 1.00 0.57 H new ATOM 0 HG2 ARG B 12 13.948 11.781 11.671 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.292 10.755 11.208 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.126 12.628 9.707 1.00 0.61 H new ATOM 0 HD3 ARG B 12 14.848 13.648 10.337 1.00 0.61 H new ATOM 0 HE ARG B 12 15.912 13.552 12.561 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.551 10.991 12.164 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.176 11.637 11.916 1.00 0.68 H new ATOM 0 HH21 ARG B 12 18.055 14.938 11.382 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.461 13.872 11.474 1.00 0.68 H new ATOM 1223 N CYS B 13 12.440 11.456 6.705 1.00 0.50 N ATOM 1224 CA CYS B 13 11.618 10.724 5.725 1.00 0.48 C ATOM 1225 C CYS B 13 11.318 9.310 6.246 1.00 0.48 C ATOM 1226 O CYS B 13 12.096 8.741 7.011 1.00 0.49 O ATOM 1227 CB CYS B 13 12.376 10.632 4.400 1.00 0.47 C ATOM 1228 SG CYS B 13 12.393 12.182 3.428 1.00 0.48 S ATOM 0 H CYS B 13 13.309 11.834 6.327 1.00 0.50 H new ATOM 0 HA CYS B 13 10.678 11.254 5.574 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.405 10.334 4.604 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.930 9.843 3.795 1.00 0.47 H new ATOM 1233 N VAL B 14 10.175 8.769 5.829 1.00 0.46 N ATOM 1234 CA VAL B 14 9.782 7.390 6.216 1.00 0.46 C ATOM 1235 C VAL B 14 10.819 6.349 5.736 1.00 0.46 C ATOM 1236 O VAL B 14 11.022 5.309 6.353 1.00 0.47 O ATOM 1237 CB VAL B 14 8.334 7.067 5.772 1.00 0.45 C ATOM 1238 CG1 VAL B 14 8.105 7.025 4.259 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.832 5.756 6.380 1.00 0.46 C ATOM 0 H VAL B 14 9.503 9.247 5.230 1.00 0.46 H new ATOM 0 HA VAL B 14 9.781 7.331 7.304 1.00 0.46 H new ATOM 0 HB VAL B 14 7.762 7.913 6.153 1.00 0.45 H new ATOM 0 HG11 VAL B 14 7.060 6.791 4.056 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.351 7.995 3.827 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.741 6.259 3.816 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.813 5.566 6.044 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.478 4.937 6.063 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.848 5.830 7.467 1.00 0.46 H new ATOM 1249 N CYS B 15 11.448 6.674 4.610 1.00 0.45 N ATOM 1250 CA CYS B 15 12.489 5.861 3.967 1.00 0.45 C ATOM 1251 C CYS B 15 13.811 6.616 3.879 1.00 0.47 C ATOM 1252 O CYS B 15 13.944 7.569 3.111 1.00 0.47 O ATOM 1253 CB CYS B 15 12.064 5.502 2.547 1.00 0.43 C ATOM 1254 SG CYS B 15 10.759 4.242 2.500 1.00 0.42 S ATOM 0 H CYS B 15 11.245 7.534 4.101 1.00 0.45 H new ATOM 0 HA CYS B 15 12.622 4.965 4.574 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.713 6.401 2.040 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.931 5.141 1.994 1.00 0.43 H new ATOM 1259 N LEU B 16 14.726 6.232 4.759 1.00 0.49 N ATOM 1260 CA LEU B 16 16.096 6.786 4.740 1.00 0.52 C ATOM 1261 C LEU B 16 17.025 6.109 3.722 1.00 0.54 C ATOM 1262 O LEU B 16 17.885 6.755 3.117 1.00 0.55 O ATOM 1263 CB LEU B 16 16.707 6.751 6.145 1.00 0.55 C ATOM 1264 CG LEU B 16 15.976 7.674 7.132 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.595 7.529 8.522 1.00 0.58 C ATOM 1266 CD2 LEU B 16 16.023 9.144 6.692 1.00 0.54 C ATOM 0 H LEU B 16 14.558 5.545 5.494 1.00 0.49 H new ATOM 0 HA LEU B 16 16.001 7.821 4.411 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.681 5.729 6.523 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.755 7.044 6.088 1.00 0.55 H new ATOM 0 HG LEU B 16 14.929 7.373 7.155 1.00 0.55 H new ATOM 0 HD11 LEU B 16 16.076 8.184 9.222 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.502 6.495 8.856 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.649 7.804 8.481 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.494 9.759 7.420 1.00 0.54 H new ATOM 0 HD22 LEU B 16 17.061 9.471 6.627 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.548 9.247 5.716 1.00 0.54 H new ATOM 1278 N GLN B 17 16.811 4.827 3.520 1.00 0.53 N ATOM 1279 CA GLN B 17 17.590 3.979 2.611 1.00 0.55 C ATOM 1280 C GLN B 17 16.722 3.551 1.414 1.00 0.53 C ATOM 1281 O GLN B 17 15.542 3.883 1.317 1.00 0.50 O ATOM 1282 CB GLN B 17 18.159 2.759 3.364 1.00 0.58 C ATOM 1283 CG GLN B 17 17.133 1.706 3.816 1.00 0.56 C ATOM 1284 CD GLN B 17 16.199 2.145 4.953 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.288 3.185 5.584 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.251 1.300 5.268 1.00 0.54 N ATOM 0 H GLN B 17 16.066 4.318 3.996 1.00 0.53 H new ATOM 0 HA GLN B 17 18.435 4.550 2.227 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.892 2.271 2.722 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.694 3.117 4.244 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.525 1.423 2.957 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.670 0.812 4.134 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.157 0.424 4.754 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.606 1.517 6.027 1.00 0.54 H new ATOM 1295 N THR B 18 17.345 2.760 0.559 1.00 0.55 N ATOM 1296 CA THR B 18 16.702 2.205 -0.643 1.00 0.54 C ATOM 1297 C THR B 18 16.895 0.681 -0.728 1.00 0.55 C ATOM 1298 O THR B 18 17.465 0.052 0.168 1.00 0.57 O ATOM 1299 CB THR B 18 17.253 2.959 -1.866 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.531 2.539 -3.020 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.761 2.772 -2.085 1.00 0.60 C ATOM 0 H THR B 18 18.318 2.476 0.670 1.00 0.55 H new ATOM 0 HA THR B 18 15.622 2.350 -0.604 1.00 0.54 H new ATOM 0 HB THR B 18 17.115 4.024 -1.680 1.00 0.56 H new ATOM 0 HG1 THR B 18 17.162 2.293 -3.729 1.00 0.55 H new ATOM 0 HG21 THR B 18 19.073 3.334 -2.965 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.303 3.135 -1.212 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.979 1.714 -2.234 1.00 0.60 H new ATOM 1309 N THR B 19 16.502 0.111 -1.861 1.00 0.55 N ATOM 1310 CA THR B 19 16.583 -1.324 -2.177 1.00 0.57 C ATOM 1311 C THR B 19 16.568 -1.533 -3.703 1.00 0.58 C ATOM 1312 O THR B 19 16.017 -0.732 -4.466 1.00 0.57 O ATOM 1313 CB THR B 19 15.414 -2.077 -1.506 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.459 -1.871 -0.090 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.427 -3.587 -1.754 1.00 0.56 C ATOM 0 H THR B 19 16.099 0.655 -2.624 1.00 0.55 H new ATOM 0 HA THR B 19 17.519 -1.725 -1.788 1.00 0.57 H new ATOM 0 HB THR B 19 14.506 -1.672 -1.953 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.928 -1.081 0.143 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.576 -4.046 -1.251 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.363 -3.780 -2.825 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.351 -4.012 -1.363 1.00 0.56 H new ATOM 1323 N GLN B 20 17.193 -2.631 -4.096 1.00 0.61 N ATOM 1324 CA GLN B 20 17.285 -3.111 -5.478 1.00 0.64 C ATOM 1325 C GLN B 20 16.852 -4.574 -5.611 1.00 0.64 C ATOM 1326 O GLN B 20 17.638 -5.507 -5.772 1.00 0.68 O ATOM 1327 CB GLN B 20 18.688 -2.856 -6.067 1.00 0.68 C ATOM 1328 CG GLN B 20 19.867 -3.604 -5.435 1.00 0.72 C ATOM 1329 CD GLN B 20 20.176 -3.242 -3.980 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.759 -2.262 -3.385 1.00 0.68 O ATOM 1331 NE2 GLN B 20 21.005 -4.049 -3.369 1.00 0.73 N ATOM 0 H GLN B 20 17.673 -3.243 -3.437 1.00 0.61 H new ATOM 0 HA GLN B 20 16.578 -2.531 -6.072 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.659 -3.108 -7.127 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.892 -1.787 -5.999 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.667 -4.674 -5.490 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.757 -3.415 -6.035 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.363 -4.873 -3.852 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.293 -3.854 -2.410 1.00 0.73 H new ATOM 1340 N GLY B 21 15.535 -4.746 -5.481 1.00 0.61 N ATOM 1341 CA GLY B 21 14.952 -6.067 -5.704 1.00 0.61 C ATOM 1342 C GLY B 21 14.690 -6.307 -7.205 1.00 0.63 C ATOM 1343 O GLY B 21 14.862 -5.383 -7.992 1.00 0.64 O ATOM 0 H GLY B 21 14.872 -4.013 -5.231 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.624 -6.835 -5.321 1.00 0.61 H new ATOM 0 HA3 GLY B 21 14.018 -6.155 -5.149 1.00 0.61 H new ATOM 1347 N VAL B 22 14.112 -7.415 -7.653 1.00 0.64 N ATOM 1348 CA VAL B 22 13.438 -8.602 -7.044 1.00 0.63 C ATOM 1349 C VAL B 22 12.197 -8.893 -7.915 1.00 0.62 C ATOM 1350 O VAL B 22 11.983 -8.241 -8.934 1.00 0.63 O ATOM 1351 CB VAL B 22 13.060 -8.486 -5.539 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.901 -7.521 -5.232 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.895 -9.846 -4.850 1.00 0.61 C ATOM 0 H VAL B 22 14.095 -7.540 -8.665 1.00 0.64 H new ATOM 0 HA VAL B 22 14.156 -9.422 -7.039 1.00 0.63 H new ATOM 0 HB VAL B 22 13.933 -8.013 -5.089 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.712 -7.509 -4.159 1.00 0.56 H new ATOM 0 HG12 VAL B 22 12.165 -6.517 -5.565 1.00 0.56 H new ATOM 0 HG13 VAL B 22 11.004 -7.852 -5.754 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.632 -9.694 -3.803 1.00 0.61 H new ATOM 0 HG22 VAL B 22 12.105 -10.411 -5.345 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.831 -10.401 -4.912 1.00 0.61 H new ATOM 1363 N HIS B 23 11.350 -9.817 -7.480 1.00 0.61 N ATOM 1364 CA HIS B 23 10.085 -10.101 -8.165 1.00 0.61 C ATOM 1365 C HIS B 23 8.898 -9.791 -7.231 1.00 0.57 C ATOM 1366 O HIS B 23 8.970 -10.089 -6.031 1.00 0.56 O ATOM 1367 CB HIS B 23 10.089 -11.562 -8.626 1.00 0.64 C ATOM 1368 CG HIS B 23 8.937 -11.857 -9.593 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.674 -12.056 -9.236 1.00 0.63 N ATOM 1370 CD2 HIS B 23 9.011 -11.993 -10.913 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.963 -12.331 -10.326 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.794 -12.293 -11.364 1.00 0.68 N ATOM 0 H HIS B 23 11.513 -10.388 -6.651 1.00 0.61 H new ATOM 0 HA HIS B 23 9.976 -9.465 -9.044 1.00 0.61 H new ATOM 0 HB2 HIS B 23 11.038 -11.787 -9.112 1.00 0.64 H new ATOM 0 HB3 HIS B 23 10.012 -12.217 -7.758 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.901 -11.880 -11.514 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.905 -12.546 -10.362 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.543 -12.464 -12.338 1.00 0.68 H new ATOM 1380 N PRO B 24 7.800 -9.266 -7.805 1.00 0.57 N ATOM 1381 CA PRO B 24 6.521 -9.017 -7.107 1.00 0.55 C ATOM 1382 C PRO B 24 6.012 -10.239 -6.347 1.00 0.55 C ATOM 1383 O PRO B 24 5.223 -10.085 -5.426 1.00 0.53 O ATOM 1384 CB PRO B 24 5.506 -8.761 -8.213 1.00 0.56 C ATOM 1385 CG PRO B 24 6.336 -8.150 -9.327 1.00 0.58 C ATOM 1386 CD PRO B 24 7.684 -8.846 -9.218 1.00 0.59 C ATOM 0 HA PRO B 24 6.658 -8.203 -6.395 1.00 0.55 H new ATOM 0 HB2 PRO B 24 5.022 -9.683 -8.534 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.717 -8.085 -7.884 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.879 -8.319 -10.302 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.434 -7.071 -9.204 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.738 -9.704 -9.888 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.496 -8.174 -9.495 1.00 0.59 H new ATOM 1394 N LYS B 25 6.467 -11.429 -6.738 1.00 0.57 N ATOM 1395 CA LYS B 25 6.094 -12.710 -6.120 1.00 0.58 C ATOM 1396 C LYS B 25 6.279 -12.706 -4.593 1.00 0.56 C ATOM 1397 O LYS B 25 5.532 -13.358 -3.872 1.00 0.57 O ATOM 1398 CB LYS B 25 6.948 -13.814 -6.737 1.00 0.61 C ATOM 1399 CG LYS B 25 6.116 -15.084 -6.917 1.00 0.62 C ATOM 1400 CD LYS B 25 6.908 -16.226 -7.556 1.00 0.66 C ATOM 1401 CE LYS B 25 7.963 -16.794 -6.607 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.849 -18.255 -6.552 1.00 0.69 N ATOM 0 H LYS B 25 7.122 -11.536 -7.513 1.00 0.57 H new ATOM 0 HA LYS B 25 5.034 -12.881 -6.311 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.339 -13.487 -7.700 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.807 -14.020 -6.098 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.740 -15.407 -5.946 1.00 0.62 H new ATOM 0 HG3 LYS B 25 5.248 -14.859 -7.536 1.00 0.62 H new ATOM 0 HD2 LYS B 25 6.223 -17.020 -7.853 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.393 -15.867 -8.464 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.960 -16.511 -6.945 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.833 -16.372 -5.610 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.569 -18.635 -5.905 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.903 -18.517 -6.209 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 7.994 -18.651 -7.503 1.00 0.69 H new ATOM 1416 N MET B 26 7.235 -11.898 -4.131 1.00 0.55 N ATOM 1417 CA MET B 26 7.498 -11.694 -2.694 1.00 0.55 C ATOM 1418 C MET B 26 6.659 -10.565 -2.071 1.00 0.52 C ATOM 1419 O MET B 26 6.511 -10.481 -0.848 1.00 0.52 O ATOM 1420 CB MET B 26 8.994 -11.449 -2.471 1.00 0.57 C ATOM 1421 CG MET B 26 9.846 -12.679 -2.816 1.00 0.64 C ATOM 1422 SD MET B 26 9.632 -14.093 -1.672 1.00 0.75 S ATOM 1423 CE MET B 26 8.544 -15.157 -2.599 1.00 0.95 C ATOM 0 H MET B 26 7.854 -11.362 -4.740 1.00 0.55 H new ATOM 0 HA MET B 26 7.193 -12.607 -2.182 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.316 -10.605 -3.081 1.00 0.57 H new ATOM 0 HB3 MET B 26 9.163 -11.173 -1.430 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.600 -13.005 -3.827 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.896 -12.388 -2.822 1.00 0.64 H new ATOM 0 HE1 MET B 26 7.796 -15.583 -1.931 1.00 0.95 H new ATOM 0 HE2 MET B 26 8.047 -14.579 -3.379 1.00 0.95 H new ATOM 0 HE3 MET B 26 9.122 -15.960 -3.055 1.00 0.95 H new ATOM 1433 N ILE B 27 6.139 -9.678 -2.909 1.00 0.50 N ATOM 1434 CA ILE B 27 5.345 -8.541 -2.439 1.00 0.48 C ATOM 1435 C ILE B 27 3.857 -8.890 -2.349 1.00 0.49 C ATOM 1436 O ILE B 27 3.314 -9.565 -3.225 1.00 0.56 O ATOM 1437 CB ILE B 27 5.526 -7.316 -3.368 1.00 0.52 C ATOM 1438 CG1 ILE B 27 7.015 -7.060 -3.640 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.874 -6.078 -2.768 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.825 -6.733 -2.400 1.00 0.58 C ATOM 0 H ILE B 27 6.251 -9.721 -3.922 1.00 0.50 H new ATOM 0 HA ILE B 27 5.707 -8.294 -1.441 1.00 0.48 H new ATOM 0 HB ILE B 27 5.033 -7.535 -4.315 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.443 -7.941 -4.118 1.00 0.56 H new ATOM 0 HG13 ILE B 27 7.107 -6.237 -4.349 1.00 0.56 H new ATOM 0 HG21 ILE B 27 5.015 -5.231 -3.439 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.808 -6.259 -2.631 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.332 -5.857 -1.804 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.865 -6.566 -2.679 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.426 -5.833 -1.932 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.766 -7.564 -1.697 1.00 0.58 H new ATOM 1452 N SER B 28 3.202 -8.423 -1.282 1.00 0.47 N ATOM 1453 CA SER B 28 1.779 -8.679 -1.076 1.00 0.54 C ATOM 1454 C SER B 28 1.053 -7.419 -0.598 1.00 0.55 C ATOM 1455 O SER B 28 -0.149 -7.448 -0.327 1.00 0.70 O ATOM 1456 CB SER B 28 1.587 -9.811 -0.065 1.00 0.61 C ATOM 1457 OG SER B 28 2.158 -11.020 -0.535 1.00 0.68 O ATOM 0 H SER B 28 3.638 -7.865 -0.548 1.00 0.47 H new ATOM 0 HA SER B 28 1.348 -8.976 -2.032 1.00 0.54 H new ATOM 0 HB2 SER B 28 2.044 -9.535 0.885 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.523 -9.957 0.124 1.00 0.61 H new ATOM 0 HG SER B 28 1.569 -11.770 -0.308 1.00 0.68 H new ATOM 1463 N ASN B 29 1.789 -6.312 -0.491 1.00 0.49 N ATOM 1464 CA ASN B 29 1.220 -5.040 -0.045 1.00 0.50 C ATOM 1465 C ASN B 29 2.007 -3.868 -0.627 1.00 0.49 C ATOM 1466 O ASN B 29 3.236 -3.856 -0.577 1.00 0.49 O ATOM 1467 CB ASN B 29 1.213 -4.971 1.488 1.00 0.54 C ATOM 1468 CG ASN B 29 0.781 -3.614 2.022 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.410 -3.318 2.113 1.00 0.67 O ATOM 1470 ND2 ASN B 29 1.753 -2.790 2.396 1.00 0.83 N ATOM 0 H ASN B 29 2.785 -6.271 -0.708 1.00 0.49 H new ATOM 0 HA ASN B 29 0.192 -4.975 -0.403 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.543 -5.738 1.877 1.00 0.54 H new ATOM 0 HB3 ASN B 29 2.211 -5.200 1.861 1.00 0.54 H new ATOM 0 HD21 ASN B 29 1.525 -1.871 2.776 1.00 0.83 H new ATOM 0 HD22 ASN B 29 2.728 -3.076 2.303 1.00 0.83 H new ATOM 1477 N LEU B 30 1.295 -2.885 -1.180 1.00 0.53 N ATOM 1478 CA LEU B 30 1.939 -1.714 -1.769 1.00 0.55 C ATOM 1479 C LEU B 30 1.408 -0.418 -1.160 1.00 0.56 C ATOM 1480 O LEU B 30 0.207 -0.164 -1.163 1.00 0.75 O ATOM 1481 CB LEU B 30 1.739 -1.695 -3.288 1.00 0.60 C ATOM 1482 CG LEU B 30 2.245 -0.434 -3.996 1.00 0.69 C ATOM 1483 CD1 LEU B 30 3.763 -0.352 -3.935 1.00 0.74 C ATOM 1484 CD2 LEU B 30 1.767 -0.403 -5.439 1.00 0.75 C ATOM 0 H LEU B 30 0.276 -2.878 -1.232 1.00 0.53 H new ATOM 0 HA LEU B 30 3.004 -1.783 -1.550 1.00 0.55 H new ATOM 0 HB2 LEU B 30 2.245 -2.561 -3.716 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.676 -1.810 -3.500 1.00 0.60 H new ATOM 0 HG LEU B 30 1.836 0.434 -3.478 1.00 0.69 H new ATOM 0 HD11 LEU B 30 4.099 0.551 -4.444 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.084 -0.323 -2.894 1.00 0.74 H new ATOM 0 HD13 LEU B 30 4.194 -1.226 -4.423 1.00 0.74 H new ATOM 0 HD21 LEU B 30 2.136 0.500 -5.925 1.00 0.75 H new ATOM 0 HD22 LEU B 30 2.144 -1.279 -5.966 1.00 0.75 H new ATOM 0 HD23 LEU B 30 0.677 -0.407 -5.461 1.00 0.75 H new ATOM 1496 N GLN B 31 2.315 0.404 -0.653 1.00 0.50 N ATOM 1497 CA GLN B 31 1.945 1.674 -0.041 1.00 0.50 C ATOM 1498 C GLN B 31 2.553 2.848 -0.799 1.00 0.51 C ATOM 1499 O GLN B 31 3.757 2.873 -1.065 1.00 0.60 O ATOM 1500 CB GLN B 31 2.394 1.708 1.421 1.00 0.53 C ATOM 1501 CG GLN B 31 1.575 0.809 2.330 1.00 0.57 C ATOM 1502 CD GLN B 31 2.167 0.686 3.721 1.00 0.75 C ATOM 1503 OE1 GLN B 31 2.957 -0.219 3.993 1.00 1.08 O ATOM 1504 NE2 GLN B 31 1.792 1.599 4.609 1.00 1.01 N ATOM 0 H GLN B 31 3.317 0.214 -0.653 1.00 0.50 H new ATOM 0 HA GLN B 31 0.860 1.764 -0.085 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.441 1.411 1.478 1.00 0.53 H new ATOM 0 HB3 GLN B 31 2.333 2.733 1.787 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.561 1.202 2.405 1.00 0.57 H new ATOM 0 HG3 GLN B 31 1.501 -0.182 1.883 1.00 0.57 H new ATOM 0 HE21 GLN B 31 1.135 2.332 4.341 1.00 1.01 H new ATOM 0 HE22 GLN B 31 2.161 1.568 5.559 1.00 1.01 H new ATOM 1513 N VAL B 32 1.713 3.820 -1.149 1.00 0.49 N ATOM 1514 CA VAL B 32 2.170 5.003 -1.871 1.00 0.51 C ATOM 1515 C VAL B 32 2.089 6.239 -0.981 1.00 0.49 C ATOM 1516 O VAL B 32 1.003 6.729 -0.674 1.00 0.61 O ATOM 1517 CB VAL B 32 1.348 5.245 -3.158 1.00 0.56 C ATOM 1518 CG1 VAL B 32 1.926 6.407 -3.955 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.306 3.984 -4.009 1.00 0.59 C ATOM 0 H VAL B 32 0.714 3.811 -0.944 1.00 0.49 H new ATOM 0 HA VAL B 32 3.207 4.823 -2.155 1.00 0.51 H new ATOM 0 HB VAL B 32 0.329 5.501 -2.869 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.333 6.560 -4.857 1.00 0.61 H new ATOM 0 HG12 VAL B 32 1.904 7.312 -3.347 1.00 0.61 H new ATOM 0 HG13 VAL B 32 2.956 6.182 -4.232 1.00 0.61 H new ATOM 0 HG21 VAL B 32 0.723 4.173 -4.911 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.321 3.698 -4.286 1.00 0.59 H new ATOM 0 HG23 VAL B 32 0.844 3.177 -3.441 1.00 0.59 H new ATOM 1529 N PHE B 33 3.250 6.732 -0.567 1.00 0.48 N ATOM 1530 CA PHE B 33 3.324 7.907 0.292 1.00 0.48 C ATOM 1531 C PHE B 33 3.688 9.151 -0.513 1.00 0.50 C ATOM 1532 O PHE B 33 4.706 9.174 -1.206 1.00 0.56 O ATOM 1533 CB PHE B 33 4.358 7.686 1.400 1.00 0.53 C ATOM 1534 CG PHE B 33 3.847 6.878 2.560 1.00 0.57 C ATOM 1535 CD1 PHE B 33 3.863 5.492 2.522 1.00 0.65 C ATOM 1536 CD2 PHE B 33 3.358 7.508 3.692 1.00 0.70 C ATOM 1537 CE1 PHE B 33 3.398 4.751 3.594 1.00 0.78 C ATOM 1538 CE2 PHE B 33 2.892 6.773 4.764 1.00 0.85 C ATOM 1539 CZ PHE B 33 2.912 5.393 4.715 1.00 0.86 C ATOM 0 H PHE B 33 4.156 6.334 -0.814 1.00 0.48 H new ATOM 0 HA PHE B 33 2.342 8.061 0.740 1.00 0.48 H new ATOM 0 HB2 PHE B 33 5.228 7.184 0.976 1.00 0.53 H new ATOM 0 HB3 PHE B 33 4.696 8.655 1.766 1.00 0.53 H new ATOM 0 HD1 PHE B 33 4.242 4.986 1.647 1.00 0.65 H new ATOM 0 HD2 PHE B 33 3.341 8.587 3.737 1.00 0.70 H new ATOM 0 HE1 PHE B 33 3.415 3.672 3.554 1.00 0.78 H new ATOM 0 HE2 PHE B 33 2.512 7.277 5.640 1.00 0.85 H new ATOM 0 HZ PHE B 33 2.548 4.817 5.553 1.00 0.86 H new ATOM 1549 N ALA B 34 2.853 10.185 -0.422 1.00 0.50 N ATOM 1550 CA ALA B 34 3.102 11.433 -1.140 1.00 0.55 C ATOM 1551 C ALA B 34 3.982 12.375 -0.320 1.00 0.54 C ATOM 1552 O ALA B 34 4.620 11.961 0.650 1.00 0.58 O ATOM 1553 CB ALA B 34 1.787 12.111 -1.502 1.00 0.61 C ATOM 0 H ALA B 34 2.002 10.183 0.140 1.00 0.50 H new ATOM 0 HA ALA B 34 3.635 11.191 -2.060 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.991 13.039 -2.036 1.00 0.61 H new ATOM 0 HB2 ALA B 34 1.199 11.449 -2.137 1.00 0.61 H new ATOM 0 HB3 ALA B 34 1.229 12.331 -0.592 1.00 0.61 H new ATOM 1559 N ILE B 35 4.018 13.643 -0.722 1.00 0.60 N ATOM 1560 CA ILE B 35 4.814 14.652 -0.030 1.00 0.63 C ATOM 1561 C ILE B 35 4.163 15.048 1.295 1.00 0.59 C ATOM 1562 O ILE B 35 2.998 15.446 1.332 1.00 0.63 O ATOM 1563 CB ILE B 35 5.003 15.905 -0.914 1.00 0.75 C ATOM 1564 CG1 ILE B 35 5.770 15.541 -2.191 1.00 0.90 C ATOM 1565 CG2 ILE B 35 5.725 17.006 -0.148 1.00 0.77 C ATOM 1566 CD1 ILE B 35 5.825 16.663 -3.205 1.00 1.10 C ATOM 0 H ILE B 35 3.502 13.997 -1.528 1.00 0.60 H new ATOM 0 HA ILE B 35 5.791 14.216 0.177 1.00 0.63 H new ATOM 0 HB ILE B 35 4.019 16.281 -1.194 1.00 0.75 H new ATOM 0 HG12 ILE B 35 6.787 15.253 -1.924 1.00 0.90 H new ATOM 0 HG13 ILE B 35 5.302 14.670 -2.650 1.00 0.90 H new ATOM 0 HG21 ILE B 35 5.846 17.877 -0.791 1.00 0.77 H new ATOM 0 HG22 ILE B 35 5.141 17.282 0.730 1.00 0.77 H new ATOM 0 HG23 ILE B 35 6.705 16.648 0.166 1.00 0.77 H new ATOM 0 HD11 ILE B 35 6.383 16.334 -4.082 1.00 1.10 H new ATOM 0 HD12 ILE B 35 4.812 16.936 -3.501 1.00 1.10 H new ATOM 0 HD13 ILE B 35 6.320 17.528 -2.764 1.00 1.10 H new ATOM 1578 N GLY B 36 4.924 14.929 2.382 1.00 0.58 N ATOM 1579 CA GLY B 36 4.410 15.272 3.695 1.00 0.59 C ATOM 1580 C GLY B 36 5.238 16.338 4.392 1.00 0.63 C ATOM 1581 O GLY B 36 6.107 16.953 3.773 1.00 0.63 O ATOM 0 H GLY B 36 5.889 14.600 2.374 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.383 15.623 3.598 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.384 14.376 4.315 1.00 0.59 H new ATOM 1585 N PRO B 37 4.986 16.577 5.694 1.00 0.67 N ATOM 1586 CA PRO B 37 5.714 17.579 6.485 1.00 0.73 C ATOM 1587 C PRO B 37 7.104 17.105 6.906 1.00 0.71 C ATOM 1588 O PRO B 37 7.905 17.883 7.425 1.00 0.77 O ATOM 1589 CB PRO B 37 4.824 17.774 7.728 1.00 0.79 C ATOM 1590 CG PRO B 37 3.586 16.971 7.490 1.00 0.77 C ATOM 1591 CD PRO B 37 3.961 15.906 6.502 1.00 0.69 C ATOM 0 HA PRO B 37 5.886 18.490 5.912 1.00 0.73 H new ATOM 0 HB2 PRO B 37 5.337 17.439 8.630 1.00 0.79 H new ATOM 0 HB3 PRO B 37 4.582 18.827 7.871 1.00 0.79 H new ATOM 0 HG2 PRO B 37 3.224 16.530 8.419 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.784 17.598 7.101 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.350 15.014 6.993 1.00 0.69 H new ATOM 0 HD3 PRO B 37 3.109 15.592 5.899 1.00 0.69 H new ATOM 1599 N GLN B 38 7.383 15.825 6.681 1.00 0.65 N ATOM 1600 CA GLN B 38 8.682 15.240 7.046 1.00 0.65 C ATOM 1601 C GLN B 38 9.549 14.889 5.826 1.00 0.61 C ATOM 1602 O GLN B 38 10.757 14.700 5.946 1.00 0.63 O ATOM 1603 CB GLN B 38 8.443 13.999 7.918 1.00 0.65 C ATOM 1604 CG GLN B 38 7.682 12.873 7.210 1.00 0.59 C ATOM 1605 CD GLN B 38 7.488 11.689 8.151 1.00 0.63 C ATOM 1606 OE1 GLN B 38 6.846 11.764 9.183 1.00 0.71 O ATOM 1607 NE2 GLN B 38 8.006 10.552 7.751 1.00 0.61 N ATOM 0 H GLN B 38 6.733 15.169 6.249 1.00 0.65 H new ATOM 0 HA GLN B 38 9.241 15.992 7.604 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.405 13.615 8.256 1.00 0.65 H new ATOM 0 HB3 GLN B 38 7.887 14.295 8.808 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.713 13.238 6.870 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.232 12.555 6.324 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.540 10.512 6.883 1.00 0.61 H new ATOM 0 HE22 GLN B 38 7.874 9.708 8.308 1.00 0.61 H new ATOM 1616 N CYS B 39 8.901 14.719 4.683 1.00 0.56 N ATOM 1617 CA CYS B 39 9.598 14.336 3.469 1.00 0.54 C ATOM 1618 C CYS B 39 9.064 15.087 2.263 1.00 0.59 C ATOM 1619 O CYS B 39 7.868 15.060 1.983 1.00 0.67 O ATOM 1620 CB CYS B 39 9.445 12.830 3.246 1.00 0.48 C ATOM 1621 SG CYS B 39 10.759 12.084 2.234 1.00 0.47 S ATOM 0 H CYS B 39 7.894 14.841 4.573 1.00 0.56 H new ATOM 0 HA CYS B 39 10.651 14.591 3.586 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.422 12.332 4.215 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.484 12.641 2.768 1.00 0.48 H new ATOM 1626 N SER B 40 9.962 15.747 1.549 1.00 0.64 N ATOM 1627 CA SER B 40 9.593 16.503 0.361 1.00 0.73 C ATOM 1628 C SER B 40 9.745 15.629 -0.887 1.00 0.72 C ATOM 1629 O SER B 40 9.549 16.089 -2.014 1.00 1.00 O ATOM 1630 CB SER B 40 10.464 17.760 0.255 1.00 0.87 C ATOM 1631 OG SER B 40 10.000 18.625 -0.768 1.00 1.01 O ATOM 0 H SER B 40 10.957 15.775 1.772 1.00 0.64 H new ATOM 0 HA SER B 40 8.550 16.809 0.438 1.00 0.73 H new ATOM 0 HB2 SER B 40 10.462 18.288 1.209 1.00 0.87 H new ATOM 0 HB3 SER B 40 11.496 17.474 0.051 1.00 0.87 H new ATOM 0 HG SER B 40 9.722 18.095 -1.544 1.00 1.01 H new ATOM 1637 N LYS B 41 10.053 14.350 -0.674 1.00 0.66 N ATOM 1638 CA LYS B 41 10.221 13.401 -1.772 1.00 0.64 C ATOM 1639 C LYS B 41 9.243 12.229 -1.636 1.00 0.61 C ATOM 1640 O LYS B 41 8.936 11.793 -0.527 1.00 0.61 O ATOM 1641 CB LYS B 41 11.660 12.875 -1.798 1.00 0.64 C ATOM 1642 CG LYS B 41 11.944 11.925 -2.952 1.00 0.71 C ATOM 1643 CD LYS B 41 13.376 11.417 -2.926 1.00 0.81 C ATOM 1644 CE LYS B 41 13.611 10.371 -4.005 1.00 0.97 C ATOM 1645 NZ LYS B 41 15.011 9.862 -3.993 1.00 1.16 N ATOM 0 H LYS B 41 10.191 13.947 0.253 1.00 0.66 H new ATOM 0 HA LYS B 41 10.010 13.921 -2.706 1.00 0.64 H new ATOM 0 HB2 LYS B 41 12.345 13.720 -1.858 1.00 0.64 H new ATOM 0 HB3 LYS B 41 11.867 12.363 -0.858 1.00 0.64 H new ATOM 0 HG2 LYS B 41 11.258 11.080 -2.904 1.00 0.71 H new ATOM 0 HG3 LYS B 41 11.756 12.435 -3.897 1.00 0.71 H new ATOM 0 HD2 LYS B 41 14.063 12.251 -3.070 1.00 0.81 H new ATOM 0 HD3 LYS B 41 13.595 10.989 -1.948 1.00 0.81 H new ATOM 0 HE2 LYS B 41 12.922 9.539 -3.860 1.00 0.97 H new ATOM 0 HE3 LYS B 41 13.390 10.802 -4.982 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 15.040 8.916 -4.423 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 15.620 10.508 -4.535 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 15.352 9.807 -3.012 1.00 1.16 H new ATOM 1659 N VAL B 42 8.751 11.732 -2.774 1.00 0.61 N ATOM 1660 CA VAL B 42 7.821 10.604 -2.782 1.00 0.62 C ATOM 1661 C VAL B 42 8.577 9.278 -2.657 1.00 0.60 C ATOM 1662 O VAL B 42 9.568 9.046 -3.353 1.00 0.68 O ATOM 1663 CB VAL B 42 6.946 10.593 -4.058 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.958 11.751 -4.036 1.00 0.72 C ATOM 1665 CG2 VAL B 42 7.802 10.653 -5.315 1.00 0.78 C ATOM 0 H VAL B 42 8.982 12.094 -3.699 1.00 0.61 H new ATOM 0 HA VAL B 42 7.163 10.722 -1.921 1.00 0.62 H new ATOM 0 HB VAL B 42 6.390 9.656 -4.073 1.00 0.68 H new ATOM 0 HG11 VAL B 42 5.351 11.728 -4.941 1.00 0.72 H new ATOM 0 HG12 VAL B 42 5.312 11.661 -3.163 1.00 0.72 H new ATOM 0 HG13 VAL B 42 6.503 12.694 -3.989 1.00 0.72 H new ATOM 0 HG21 VAL B 42 7.158 10.644 -6.194 1.00 0.78 H new ATOM 0 HG22 VAL B 42 8.394 11.568 -5.309 1.00 0.78 H new ATOM 0 HG23 VAL B 42 8.468 9.790 -5.343 1.00 0.78 H new ATOM 1675 N GLU B 43 8.109 8.412 -1.757 1.00 0.56 N ATOM 1676 CA GLU B 43 8.757 7.125 -1.519 1.00 0.54 C ATOM 1677 C GLU B 43 7.711 6.020 -1.422 1.00 0.53 C ATOM 1678 O GLU B 43 6.732 6.145 -0.685 1.00 0.57 O ATOM 1679 CB GLU B 43 9.594 7.186 -0.238 1.00 0.54 C ATOM 1680 CG GLU B 43 10.470 8.426 -0.151 1.00 0.61 C ATOM 1681 CD GLU B 43 11.384 8.427 1.050 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.877 8.319 2.184 1.00 0.80 O ATOM 1683 OE2 GLU B 43 12.608 8.548 0.856 1.00 0.77 O ATOM 0 H GLU B 43 7.284 8.580 -1.182 1.00 0.56 H new ATOM 0 HA GLU B 43 9.419 6.902 -2.356 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.928 7.159 0.625 1.00 0.54 H new ATOM 0 HB3 GLU B 43 10.225 6.299 -0.182 1.00 0.54 H new ATOM 0 HG2 GLU B 43 11.071 8.502 -1.057 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.834 9.310 -0.116 1.00 0.61 H new ATOM 1690 N VAL B 44 7.920 4.938 -2.168 1.00 0.51 N ATOM 1691 CA VAL B 44 6.973 3.829 -2.170 1.00 0.51 C ATOM 1692 C VAL B 44 7.434 2.672 -1.289 1.00 0.49 C ATOM 1693 O VAL B 44 8.361 1.935 -1.623 1.00 0.53 O ATOM 1694 CB VAL B 44 6.695 3.305 -3.596 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.710 4.211 -4.316 1.00 0.60 C ATOM 1696 CG2 VAL B 44 7.981 3.183 -4.396 1.00 0.59 C ATOM 0 H VAL B 44 8.730 4.807 -2.774 1.00 0.51 H new ATOM 0 HA VAL B 44 6.049 4.233 -1.757 1.00 0.51 H new ATOM 0 HB VAL B 44 6.256 2.312 -3.507 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.527 3.825 -5.319 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.772 4.241 -3.762 1.00 0.60 H new ATOM 0 HG13 VAL B 44 6.124 5.217 -4.384 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.754 2.812 -5.395 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.457 4.161 -4.471 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.656 2.489 -3.896 1.00 0.59 H new ATOM 1706 N VAL B 45 6.780 2.542 -0.148 1.00 0.47 N ATOM 1707 CA VAL B 45 7.063 1.460 0.817 1.00 0.46 C ATOM 1708 C VAL B 45 6.128 0.252 0.577 1.00 0.48 C ATOM 1709 O VAL B 45 5.058 0.352 -0.028 1.00 0.51 O ATOM 1710 CB VAL B 45 7.044 1.949 2.285 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.450 3.403 2.413 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.686 2.012 2.943 1.00 0.62 C ATOM 0 H VAL B 45 6.037 3.175 0.148 1.00 0.47 H new ATOM 0 HA VAL B 45 8.084 1.122 0.640 1.00 0.46 H new ATOM 0 HB VAL B 45 7.707 1.215 2.744 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.421 3.698 3.462 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.461 3.534 2.027 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.761 4.025 1.842 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.794 2.367 3.968 1.00 0.62 H new ATOM 0 HG22 VAL B 45 5.044 2.696 2.388 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.238 1.018 2.949 1.00 0.62 H new ATOM 1722 N ALA B 46 6.581 -0.917 1.019 1.00 0.48 N ATOM 1723 CA ALA B 46 5.816 -2.142 0.823 1.00 0.51 C ATOM 1724 C ALA B 46 6.015 -3.135 1.961 1.00 0.51 C ATOM 1725 O ALA B 46 7.046 -3.129 2.636 1.00 0.50 O ATOM 1726 CB ALA B 46 6.208 -2.780 -0.501 1.00 0.55 C ATOM 0 H ALA B 46 7.466 -1.041 1.511 1.00 0.48 H new ATOM 0 HA ALA B 46 4.759 -1.875 0.810 1.00 0.51 H new ATOM 0 HB1 ALA B 46 5.636 -3.696 -0.647 1.00 0.55 H new ATOM 0 HB2 ALA B 46 5.997 -2.087 -1.315 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.272 -3.015 -0.491 1.00 0.55 H new ATOM 1732 N SER B 47 5.023 -3.998 2.158 1.00 0.54 N ATOM 1733 CA SER B 47 5.079 -5.009 3.205 1.00 0.57 C ATOM 1734 C SER B 47 4.894 -6.401 2.617 1.00 0.60 C ATOM 1735 O SER B 47 3.982 -6.635 1.824 1.00 0.63 O ATOM 1736 CB SER B 47 4.007 -4.747 4.266 1.00 0.60 C ATOM 1737 OG SER B 47 4.158 -3.460 4.838 1.00 0.58 O ATOM 0 H SER B 47 4.168 -4.016 1.603 1.00 0.54 H new ATOM 0 HA SER B 47 6.061 -4.953 3.675 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.018 -4.835 3.817 1.00 0.60 H new ATOM 0 HB3 SER B 47 4.071 -5.505 5.047 1.00 0.60 H new ATOM 0 HG SER B 47 3.460 -3.317 5.511 1.00 0.58 H new ATOM 1743 N LEU B 48 5.775 -7.320 3.002 1.00 0.62 N ATOM 1744 CA LEU B 48 5.707 -8.697 2.525 1.00 0.67 C ATOM 1745 C LEU B 48 4.723 -9.505 3.365 1.00 0.71 C ATOM 1746 O LEU B 48 4.345 -9.088 4.462 1.00 0.70 O ATOM 1747 CB LEU B 48 7.092 -9.360 2.576 1.00 0.68 C ATOM 1748 CG LEU B 48 8.093 -8.905 1.506 1.00 0.70 C ATOM 1749 CD1 LEU B 48 8.731 -7.575 1.880 1.00 0.70 C ATOM 1750 CD2 LEU B 48 9.162 -9.969 1.301 1.00 0.75 C ATOM 0 H LEU B 48 6.546 -7.135 3.644 1.00 0.62 H new ATOM 0 HA LEU B 48 5.363 -8.677 1.491 1.00 0.67 H new ATOM 0 HB2 LEU B 48 7.528 -9.171 3.557 1.00 0.68 H new ATOM 0 HB3 LEU B 48 6.961 -10.438 2.488 1.00 0.68 H new ATOM 0 HG LEU B 48 7.551 -8.764 0.571 1.00 0.70 H new ATOM 0 HD11 LEU B 48 9.436 -7.278 1.103 1.00 0.70 H new ATOM 0 HD12 LEU B 48 7.956 -6.814 1.977 1.00 0.70 H new ATOM 0 HD13 LEU B 48 9.259 -7.678 2.828 1.00 0.70 H new ATOM 0 HD21 LEU B 48 9.867 -9.635 0.539 1.00 0.75 H new ATOM 0 HD22 LEU B 48 9.693 -10.137 2.238 1.00 0.75 H new ATOM 0 HD23 LEU B 48 8.693 -10.899 0.978 1.00 0.75 H new ATOM 1762 N LYS B 49 4.314 -10.662 2.850 1.00 0.76 N ATOM 1763 CA LYS B 49 3.381 -11.530 3.565 1.00 0.82 C ATOM 1764 C LYS B 49 4.100 -12.272 4.690 1.00 0.84 C ATOM 1765 O LYS B 49 3.471 -12.818 5.597 1.00 0.89 O ATOM 1766 CB LYS B 49 2.727 -12.528 2.600 1.00 0.89 C ATOM 1767 CG LYS B 49 1.540 -13.280 3.195 1.00 0.98 C ATOM 1768 CD LYS B 49 0.400 -12.336 3.557 1.00 1.05 C ATOM 1769 CE LYS B 49 -0.743 -13.072 4.240 1.00 1.23 C ATOM 1770 NZ LYS B 49 -0.305 -13.728 5.504 1.00 1.27 N ATOM 0 H LYS B 49 4.613 -11.020 1.943 1.00 0.76 H new ATOM 0 HA LYS B 49 2.599 -10.909 4.002 1.00 0.82 H new ATOM 0 HB2 LYS B 49 2.396 -11.993 1.710 1.00 0.89 H new ATOM 0 HB3 LYS B 49 3.477 -13.250 2.277 1.00 0.89 H new ATOM 0 HG2 LYS B 49 1.185 -14.023 2.481 1.00 0.98 H new ATOM 0 HG3 LYS B 49 1.861 -13.821 4.085 1.00 0.98 H new ATOM 0 HD2 LYS B 49 0.772 -11.551 4.215 1.00 1.05 H new ATOM 0 HD3 LYS B 49 0.031 -11.848 2.655 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -1.549 -12.371 4.455 1.00 1.23 H new ATOM 0 HE3 LYS B 49 -1.147 -13.824 3.562 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 -1.139 -13.981 6.071 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 0.235 -14.588 5.280 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 0.295 -13.073 6.045 1.00 1.27 H new ATOM 1784 N ASN B 50 5.430 -12.276 4.622 1.00 0.81 N ATOM 1785 CA ASN B 50 6.256 -12.938 5.625 1.00 0.84 C ATOM 1786 C ASN B 50 6.347 -12.093 6.894 1.00 0.80 C ATOM 1787 O ASN B 50 6.569 -12.618 7.985 1.00 0.97 O ATOM 1788 CB ASN B 50 7.660 -13.198 5.071 1.00 0.86 C ATOM 1789 CG ASN B 50 7.641 -14.055 3.819 1.00 0.94 C ATOM 1790 OD1 ASN B 50 6.780 -14.918 3.655 1.00 0.99 O ATOM 1791 ND2 ASN B 50 8.592 -13.815 2.924 1.00 0.97 N ATOM 0 H ASN B 50 5.960 -11.824 3.877 1.00 0.81 H new ATOM 0 HA ASN B 50 5.790 -13.891 5.874 1.00 0.84 H new ATOM 0 HB2 ASN B 50 8.141 -12.246 4.848 1.00 0.86 H new ATOM 0 HB3 ASN B 50 8.263 -13.689 5.835 1.00 0.86 H new ATOM 0 HD21 ASN B 50 8.628 -14.356 2.060 1.00 0.97 H new ATOM 0 HD22 ASN B 50 9.287 -13.089 3.100 1.00 0.97 H new ATOM 1798 N GLY B 51 6.169 -10.781 6.741 1.00 0.67 N ATOM 1799 CA GLY B 51 6.228 -9.884 7.880 1.00 0.65 C ATOM 1800 C GLY B 51 7.430 -8.960 7.836 1.00 0.60 C ATOM 1801 O GLY B 51 8.096 -8.752 8.851 1.00 0.67 O ATOM 0 H GLY B 51 5.985 -10.325 5.847 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.317 -9.287 7.914 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.259 -10.471 8.798 1.00 0.65 H new ATOM 1805 N LYS B 52 7.711 -8.406 6.659 1.00 0.57 N ATOM 1806 CA LYS B 52 8.840 -7.496 6.489 1.00 0.55 C ATOM 1807 C LYS B 52 8.430 -6.239 5.729 1.00 0.51 C ATOM 1808 O LYS B 52 7.390 -6.211 5.074 1.00 0.60 O ATOM 1809 CB LYS B 52 9.988 -8.192 5.747 1.00 0.59 C ATOM 1810 CG LYS B 52 10.685 -9.272 6.560 1.00 0.66 C ATOM 1811 CD LYS B 52 11.963 -9.746 5.883 1.00 0.79 C ATOM 1812 CE LYS B 52 13.067 -8.703 5.976 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.347 -9.193 5.394 1.00 1.05 N ATOM 0 H LYS B 52 7.172 -8.572 5.809 1.00 0.57 H new ATOM 0 HA LYS B 52 9.178 -7.205 7.484 1.00 0.55 H new ATOM 0 HB2 LYS B 52 9.599 -8.636 4.831 1.00 0.59 H new ATOM 0 HB3 LYS B 52 10.723 -7.443 5.451 1.00 0.59 H new ATOM 0 HG2 LYS B 52 10.920 -8.887 7.552 1.00 0.66 H new ATOM 0 HG3 LYS B 52 10.010 -10.117 6.697 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.298 -10.674 6.347 1.00 0.79 H new ATOM 0 HD3 LYS B 52 11.759 -9.969 4.836 1.00 0.79 H new ATOM 0 HE2 LYS B 52 12.755 -7.797 5.456 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.223 -8.433 7.020 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 15.072 -8.452 5.478 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.659 -10.042 5.907 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 14.205 -9.427 4.391 1.00 1.05 H new ATOM 1827 N GLU B 53 9.254 -5.201 5.827 1.00 0.53 N ATOM 1828 CA GLU B 53 8.998 -3.927 5.138 1.00 0.50 C ATOM 1829 C GLU B 53 10.320 -3.313 4.665 1.00 0.50 C ATOM 1830 O GLU B 53 11.297 -3.232 5.414 1.00 0.52 O ATOM 1831 CB GLU B 53 8.255 -2.968 6.079 1.00 0.51 C ATOM 1832 CG GLU B 53 9.117 -2.556 7.279 1.00 0.66 C ATOM 1833 CD GLU B 53 8.343 -1.796 8.342 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.392 -2.403 8.873 1.00 0.67 O ATOM 1835 OE2 GLU B 53 8.780 -0.666 8.649 1.00 0.71 O ATOM 0 H GLU B 53 10.112 -5.211 6.379 1.00 0.53 H new ATOM 0 HA GLU B 53 8.373 -4.107 4.264 1.00 0.50 H new ATOM 0 HB2 GLU B 53 7.955 -2.078 5.526 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.342 -3.445 6.435 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.555 -3.448 7.726 1.00 0.66 H new ATOM 0 HG3 GLU B 53 9.943 -1.937 6.929 1.00 0.66 H new ATOM 1842 N ILE B 54 10.337 -2.951 3.402 1.00 0.47 N ATOM 1843 CA ILE B 54 11.522 -2.305 2.804 1.00 0.47 C ATOM 1844 C ILE B 54 11.107 -1.003 2.101 1.00 0.45 C ATOM 1845 O ILE B 54 9.920 -0.674 2.009 1.00 0.43 O ATOM 1846 CB ILE B 54 12.267 -3.280 1.871 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.380 -3.700 0.684 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.818 -4.472 2.673 1.00 0.52 C ATOM 1849 CD1 ILE B 54 12.092 -4.530 -0.387 1.00 0.49 C ATOM 0 H ILE B 54 9.557 -3.085 2.758 1.00 0.47 H new ATOM 0 HA ILE B 54 12.227 -2.038 3.591 1.00 0.47 H new ATOM 0 HB ILE B 54 13.127 -2.771 1.435 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.535 -4.273 1.065 1.00 0.47 H new ATOM 0 HG13 ILE B 54 10.973 -2.803 0.217 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.341 -5.152 2.001 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.509 -4.110 3.434 1.00 0.52 H new ATOM 0 HG23 ILE B 54 11.994 -5.000 3.153 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.389 -4.779 -1.182 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.920 -3.955 -0.802 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.475 -5.448 0.059 1.00 0.49 H new ATOM 1861 N CYS B 55 12.106 -0.343 1.536 1.00 0.45 N ATOM 1862 CA CYS B 55 11.903 0.894 0.773 1.00 0.44 C ATOM 1863 C CYS B 55 12.556 0.754 -0.595 1.00 0.45 C ATOM 1864 O CYS B 55 13.692 0.309 -0.725 1.00 0.48 O ATOM 1865 CB CYS B 55 12.543 2.070 1.500 1.00 0.44 C ATOM 1866 SG CYS B 55 11.695 2.522 3.054 1.00 0.44 S ATOM 0 H CYS B 55 13.080 -0.642 1.589 1.00 0.45 H new ATOM 0 HA CYS B 55 10.833 1.071 0.666 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.582 1.827 1.721 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.552 2.935 0.836 1.00 0.44 H new ATOM 1871 N LEU B 56 11.837 1.234 -1.584 1.00 0.44 N ATOM 1872 CA LEU B 56 12.292 1.159 -2.967 1.00 0.47 C ATOM 1873 C LEU B 56 12.555 2.579 -3.477 1.00 0.48 C ATOM 1874 O LEU B 56 11.932 3.547 -3.029 1.00 0.46 O ATOM 1875 CB LEU B 56 11.168 0.412 -3.700 1.00 0.46 C ATOM 1876 CG LEU B 56 10.826 -1.010 -3.233 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.849 -1.635 -4.229 1.00 0.47 C ATOM 1878 CD2 LEU B 56 12.061 -1.899 -3.077 1.00 0.49 C ATOM 0 H LEU B 56 10.930 1.684 -1.463 1.00 0.44 H new ATOM 0 HA LEU B 56 13.232 0.628 -3.116 1.00 0.47 H new ATOM 0 HB2 LEU B 56 10.263 1.015 -3.626 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.433 0.362 -4.756 1.00 0.46 H new ATOM 0 HG LEU B 56 10.373 -0.936 -2.244 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.599 -2.646 -3.908 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.941 -1.033 -4.274 1.00 0.47 H new ATOM 0 HD13 LEU B 56 10.310 -1.672 -5.216 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.755 -2.891 -2.745 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.575 -1.979 -4.035 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.734 -1.461 -2.340 1.00 0.49 H new ATOM 1890 N ASP B 57 13.464 2.751 -4.428 1.00 0.50 N ATOM 1891 CA ASP B 57 13.717 4.091 -4.978 1.00 0.52 C ATOM 1892 C ASP B 57 13.061 4.245 -6.356 1.00 0.54 C ATOM 1893 O ASP B 57 13.561 3.697 -7.338 1.00 0.59 O ATOM 1894 CB ASP B 57 15.218 4.366 -5.093 1.00 0.57 C ATOM 1895 CG ASP B 57 15.576 5.810 -4.786 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.912 6.721 -5.323 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.527 6.031 -4.007 1.00 0.63 O ATOM 0 H ASP B 57 14.030 2.004 -4.831 1.00 0.50 H new ATOM 0 HA ASP B 57 13.280 4.815 -4.290 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.757 3.710 -4.410 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.552 4.120 -6.101 1.00 0.57 H new ATOM 1902 N PRO B 58 11.934 5.002 -6.447 1.00 0.55 N ATOM 1903 CA PRO B 58 11.210 5.232 -7.720 1.00 0.61 C ATOM 1904 C PRO B 58 12.115 5.774 -8.826 1.00 0.69 C ATOM 1905 O PRO B 58 11.779 5.720 -10.011 1.00 0.83 O ATOM 1906 CB PRO B 58 10.158 6.280 -7.350 1.00 0.64 C ATOM 1907 CG PRO B 58 9.967 6.154 -5.881 1.00 0.60 C ATOM 1908 CD PRO B 58 11.279 5.686 -5.315 1.00 0.57 C ATOM 0 HA PRO B 58 10.797 4.304 -8.116 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.493 7.282 -7.617 1.00 0.64 H new ATOM 0 HB3 PRO B 58 9.224 6.103 -7.883 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.676 7.110 -5.445 1.00 0.60 H new ATOM 0 HG3 PRO B 58 9.172 5.444 -5.653 1.00 0.60 H new ATOM 0 HD2 PRO B 58 11.878 6.522 -4.953 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.132 5.011 -4.472 1.00 0.57 H new ATOM 1916 N GLU B 59 13.261 6.290 -8.410 1.00 0.65 N ATOM 1917 CA GLU B 59 14.275 6.855 -9.309 1.00 0.77 C ATOM 1918 C GLU B 59 14.896 5.817 -10.271 1.00 0.82 C ATOM 1919 O GLU B 59 15.539 6.175 -11.256 1.00 0.91 O ATOM 1920 CB GLU B 59 15.359 7.524 -8.458 1.00 0.83 C ATOM 1921 CG GLU B 59 15.933 8.759 -9.153 1.00 1.10 C ATOM 1922 CD GLU B 59 16.807 9.598 -8.229 1.00 1.18 C ATOM 1923 OE1 GLU B 59 16.202 10.354 -7.443 1.00 1.28 O ATOM 1924 OE2 GLU B 59 18.048 9.462 -8.329 1.00 1.40 O ATOM 0 H GLU B 59 13.524 6.332 -7.425 1.00 0.65 H new ATOM 0 HA GLU B 59 13.782 7.585 -9.951 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.941 7.810 -7.493 1.00 0.83 H new ATOM 0 HB3 GLU B 59 16.160 6.811 -8.260 1.00 0.83 H new ATOM 0 HG2 GLU B 59 16.520 8.446 -10.017 1.00 1.10 H new ATOM 0 HG3 GLU B 59 15.115 9.373 -9.529 1.00 1.10 H new ATOM 1931 N ALA B 60 14.718 4.536 -9.967 1.00 0.80 N ATOM 1932 CA ALA B 60 15.275 3.460 -10.789 1.00 0.88 C ATOM 1933 C ALA B 60 14.194 2.859 -11.707 1.00 0.91 C ATOM 1934 O ALA B 60 13.110 2.506 -11.236 1.00 0.89 O ATOM 1935 CB ALA B 60 15.869 2.412 -9.848 1.00 0.88 C ATOM 0 H ALA B 60 14.191 4.214 -9.155 1.00 0.80 H new ATOM 0 HA ALA B 60 16.057 3.844 -11.444 1.00 0.88 H new ATOM 0 HB1 ALA B 60 16.293 1.596 -10.433 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.652 2.869 -9.242 1.00 0.88 H new ATOM 0 HB3 ALA B 60 15.087 2.023 -9.196 1.00 0.88 H new ATOM 1941 N PRO B 61 14.535 2.641 -12.983 1.00 0.99 N ATOM 1942 CA PRO B 61 13.608 2.097 -13.996 1.00 1.03 C ATOM 1943 C PRO B 61 13.169 0.654 -13.708 1.00 1.03 C ATOM 1944 O PRO B 61 11.975 0.365 -13.695 1.00 1.01 O ATOM 1945 CB PRO B 61 14.373 2.203 -15.317 1.00 1.15 C ATOM 1946 CG PRO B 61 15.835 2.077 -14.894 1.00 1.19 C ATOM 1947 CD PRO B 61 15.879 2.837 -13.568 1.00 1.07 C ATOM 0 HA PRO B 61 12.672 2.655 -14.007 1.00 1.03 H new ATOM 0 HB2 PRO B 61 14.087 1.413 -16.011 1.00 1.15 H new ATOM 0 HB3 PRO B 61 14.180 3.152 -15.817 1.00 1.15 H new ATOM 0 HG2 PRO B 61 16.131 1.035 -14.771 1.00 1.19 H new ATOM 0 HG3 PRO B 61 16.507 2.515 -15.632 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.658 2.447 -12.913 1.00 1.07 H new ATOM 0 HD3 PRO B 61 16.094 3.894 -13.724 1.00 1.07 H new ATOM 1955 N PHE B 62 14.121 -0.179 -13.278 1.00 1.06 N ATOM 1956 CA PHE B 62 13.845 -1.581 -12.895 1.00 1.08 C ATOM 1957 C PHE B 62 12.855 -1.666 -11.728 1.00 0.98 C ATOM 1958 O PHE B 62 12.082 -2.613 -11.615 1.00 0.98 O ATOM 1959 CB PHE B 62 15.133 -2.328 -12.530 1.00 1.15 C ATOM 1960 CG PHE B 62 15.834 -1.758 -11.294 1.00 1.11 C ATOM 1961 CD1 PHE B 62 15.499 -2.221 -10.030 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.829 -0.801 -11.449 1.00 1.14 C ATOM 1963 CE1 PHE B 62 16.157 -1.728 -8.914 1.00 1.07 C ATOM 1964 CE2 PHE B 62 17.499 -0.320 -10.334 1.00 1.14 C ATOM 1965 CZ PHE B 62 17.156 -0.775 -9.069 1.00 1.10 C ATOM 0 H PHE B 62 15.100 0.090 -13.183 1.00 1.06 H new ATOM 0 HA PHE B 62 13.397 -2.058 -13.767 1.00 1.08 H new ATOM 0 HB2 PHE B 62 14.899 -3.378 -12.354 1.00 1.15 H new ATOM 0 HB3 PHE B 62 15.818 -2.292 -13.377 1.00 1.15 H new ATOM 0 HD1 PHE B 62 14.725 -2.966 -9.915 1.00 1.07 H new ATOM 0 HD2 PHE B 62 17.080 -0.433 -12.433 1.00 1.14 H new ATOM 0 HE1 PHE B 62 15.894 -2.083 -7.928 1.00 1.07 H new ATOM 0 HE2 PHE B 62 18.288 0.409 -10.450 1.00 1.14 H new ATOM 0 HZ PHE B 62 17.668 -0.387 -8.201 1.00 1.10 H new ATOM 1975 N LEU B 63 12.823 -0.611 -10.933 1.00 0.90 N ATOM 1976 CA LEU B 63 11.911 -0.529 -9.814 1.00 0.80 C ATOM 1977 C LEU B 63 10.520 -0.125 -10.303 1.00 0.83 C ATOM 1978 O LEU B 63 9.514 -0.557 -9.755 1.00 0.83 O ATOM 1979 CB LEU B 63 12.429 0.483 -8.804 1.00 0.71 C ATOM 1980 CG LEU B 63 11.969 0.247 -7.376 1.00 0.64 C ATOM 1981 CD1 LEU B 63 13.179 0.150 -6.461 1.00 0.62 C ATOM 1982 CD2 LEU B 63 11.027 1.362 -6.940 1.00 0.62 C ATOM 0 H LEU B 63 13.425 0.205 -11.046 1.00 0.90 H new ATOM 0 HA LEU B 63 11.842 -1.505 -9.334 1.00 0.80 H new ATOM 0 HB2 LEU B 63 13.519 0.473 -8.827 1.00 0.71 H new ATOM 0 HB3 LEU B 63 12.113 1.479 -9.113 1.00 0.71 H new ATOM 0 HG LEU B 63 11.420 -0.693 -7.316 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.848 -0.019 -5.436 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.811 -0.679 -6.780 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.747 1.079 -6.510 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.702 1.184 -5.915 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.546 2.319 -6.995 1.00 0.62 H new ATOM 0 HD23 LEU B 63 10.158 1.382 -7.597 1.00 0.62 H new ATOM 1994 N LYS B 64 10.484 0.697 -11.357 1.00 0.87 N ATOM 1995 CA LYS B 64 9.228 1.172 -11.950 1.00 0.93 C ATOM 1996 C LYS B 64 8.507 0.040 -12.698 1.00 0.97 C ATOM 1997 O LYS B 64 7.326 0.143 -13.035 1.00 1.03 O ATOM 1998 CB LYS B 64 9.516 2.339 -12.899 1.00 1.02 C ATOM 1999 CG LYS B 64 8.272 3.087 -13.357 1.00 1.12 C ATOM 2000 CD LYS B 64 8.612 4.189 -14.352 1.00 1.30 C ATOM 2001 CE LYS B 64 9.093 3.622 -15.680 1.00 1.47 C ATOM 2002 NZ LYS B 64 9.391 4.697 -16.667 1.00 1.71 N ATOM 0 H LYS B 64 11.320 1.051 -11.822 1.00 0.87 H new ATOM 0 HA LYS B 64 8.573 1.512 -11.148 1.00 0.93 H new ATOM 0 HB2 LYS B 64 10.187 3.040 -12.403 1.00 1.02 H new ATOM 0 HB3 LYS B 64 10.042 1.960 -13.775 1.00 1.02 H new ATOM 0 HG2 LYS B 64 7.574 2.386 -13.815 1.00 1.12 H new ATOM 0 HG3 LYS B 64 7.769 3.520 -12.492 1.00 1.12 H new ATOM 0 HD2 LYS B 64 7.733 4.812 -14.519 1.00 1.30 H new ATOM 0 HD3 LYS B 64 9.384 4.834 -13.931 1.00 1.30 H new ATOM 0 HE2 LYS B 64 9.988 3.022 -15.516 1.00 1.47 H new ATOM 0 HE3 LYS B 64 8.332 2.956 -16.087 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 9.716 4.270 -17.558 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 8.531 5.254 -16.843 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 10.135 5.318 -16.290 1.00 1.71 H new ATOM 2016 N LYS B 65 9.239 -1.035 -12.954 1.00 0.98 N ATOM 2017 CA LYS B 65 8.710 -2.220 -13.648 1.00 1.04 C ATOM 2018 C LYS B 65 7.929 -3.158 -12.724 1.00 1.02 C ATOM 2019 O LYS B 65 6.730 -3.357 -12.910 1.00 1.07 O ATOM 2020 CB LYS B 65 9.861 -2.990 -14.289 1.00 1.07 C ATOM 2021 CG LYS B 65 10.537 -2.170 -15.387 1.00 1.14 C ATOM 2022 CD LYS B 65 11.614 -2.994 -16.100 1.00 1.20 C ATOM 2023 CE LYS B 65 11.032 -4.187 -16.871 1.00 1.27 C ATOM 2024 NZ LYS B 65 10.129 -3.750 -17.946 1.00 1.36 N ATOM 0 H LYS B 65 10.220 -1.119 -12.689 1.00 0.98 H new ATOM 0 HA LYS B 65 8.013 -1.860 -14.405 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.594 -3.254 -13.526 1.00 1.07 H new ATOM 0 HB3 LYS B 65 9.487 -3.924 -14.708 1.00 1.07 H new ATOM 0 HG2 LYS B 65 9.791 -1.837 -16.109 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.985 -1.275 -14.955 1.00 1.14 H new ATOM 0 HD2 LYS B 65 12.160 -2.351 -16.791 1.00 1.20 H new ATOM 0 HD3 LYS B 65 12.334 -3.357 -15.366 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.844 -4.778 -17.295 1.00 1.27 H new ATOM 0 HE3 LYS B 65 10.491 -4.837 -16.183 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.902 -4.559 -18.559 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 9.253 -3.373 -17.532 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 10.592 -3.008 -18.509 1.00 1.36 H new ATOM 2038 N VAL B 66 8.576 -3.590 -11.644 1.00 0.96 N ATOM 2039 CA VAL B 66 7.929 -4.455 -10.664 1.00 0.95 C ATOM 2040 C VAL B 66 6.741 -3.745 -9.994 1.00 0.95 C ATOM 2041 O VAL B 66 5.795 -4.401 -9.567 1.00 0.97 O ATOM 2042 CB VAL B 66 8.920 -4.952 -9.588 1.00 0.92 C ATOM 2043 CG1 VAL B 66 9.955 -5.872 -10.213 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.596 -3.793 -8.870 1.00 0.91 C ATOM 0 H VAL B 66 9.545 -3.355 -11.427 1.00 0.96 H new ATOM 0 HA VAL B 66 7.559 -5.323 -11.209 1.00 0.95 H new ATOM 0 HB VAL B 66 8.353 -5.511 -8.843 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.648 -6.216 -9.445 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.455 -6.731 -10.661 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.506 -5.331 -10.982 1.00 0.93 H new ATOM 0 HG21 VAL B 66 10.286 -4.182 -8.121 1.00 0.91 H new ATOM 0 HG22 VAL B 66 10.147 -3.189 -9.592 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.841 -3.177 -8.383 1.00 0.91 H new ATOM 2054 N ILE B 67 6.781 -2.403 -9.910 1.00 0.95 N ATOM 2055 CA ILE B 67 5.671 -1.653 -9.311 1.00 0.97 C ATOM 2056 C ILE B 67 4.486 -1.610 -10.270 1.00 1.02 C ATOM 2057 O ILE B 67 3.350 -1.389 -9.856 1.00 1.08 O ATOM 2058 CB ILE B 67 6.040 -0.211 -8.875 1.00 0.99 C ATOM 2059 CG1 ILE B 67 6.385 0.667 -10.083 1.00 1.00 C ATOM 2060 CG2 ILE B 67 7.185 -0.231 -7.872 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.597 2.125 -9.732 1.00 1.07 C ATOM 0 H ILE B 67 7.555 -1.828 -10.243 1.00 0.95 H new ATOM 0 HA ILE B 67 5.409 -2.191 -8.400 1.00 0.97 H new ATOM 0 HB ILE B 67 5.167 0.226 -8.390 1.00 0.99 H new ATOM 0 HG12 ILE B 67 7.288 0.281 -10.556 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.583 0.592 -10.817 1.00 1.00 H new ATOM 0 HG21 ILE B 67 7.429 0.790 -7.578 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.888 -0.801 -6.992 1.00 0.98 H new ATOM 0 HG23 ILE B 67 8.059 -0.697 -8.327 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.838 2.685 -10.635 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.688 2.528 -9.286 1.00 1.07 H new ATOM 0 HD13 ILE B 67 7.419 2.212 -9.021 1.00 1.07 H new ATOM 2073 N GLN B 68 4.756 -1.790 -11.561 1.00 1.04 N ATOM 2074 CA GLN B 68 3.674 -1.845 -12.559 1.00 1.12 C ATOM 2075 C GLN B 68 2.950 -3.200 -12.495 1.00 1.11 C ATOM 2076 O GLN B 68 1.721 -3.252 -12.480 1.00 1.15 O ATOM 2077 CB GLN B 68 4.250 -1.628 -13.952 1.00 1.19 C ATOM 2078 CG GLN B 68 3.137 -1.486 -14.981 1.00 1.30 C ATOM 2079 CD GLN B 68 3.721 -1.240 -16.365 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.545 -1.973 -16.889 1.00 1.39 O ATOM 2081 NE2 GLN B 68 3.237 -0.188 -16.981 1.00 1.52 N ATOM 0 H GLN B 68 5.696 -1.899 -11.943 1.00 1.04 H new ATOM 0 HA GLN B 68 2.953 -1.057 -12.339 1.00 1.12 H new ATOM 0 HB2 GLN B 68 4.873 -0.734 -13.958 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.894 -2.466 -14.219 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.526 -2.389 -14.992 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.481 -0.661 -14.704 1.00 1.30 H new ATOM 0 HE21 GLN B 68 2.550 0.404 -16.515 1.00 1.52 H new ATOM 0 HE22 GLN B 68 3.548 0.038 -17.926 1.00 1.52 H new ATOM 2090 N LYS B 69 3.726 -4.278 -12.381 1.00 1.10 N ATOM 2091 CA LYS B 69 3.175 -5.636 -12.321 1.00 1.13 C ATOM 2092 C LYS B 69 2.257 -5.852 -11.110 1.00 1.15 C ATOM 2093 O LYS B 69 1.298 -6.621 -11.191 1.00 1.23 O ATOM 2094 CB LYS B 69 4.306 -6.665 -12.288 1.00 1.11 C ATOM 2095 CG LYS B 69 5.180 -6.657 -13.531 1.00 1.16 C ATOM 2096 CD LYS B 69 6.177 -7.805 -13.513 1.00 1.24 C ATOM 2097 CE LYS B 69 7.009 -7.843 -14.784 1.00 1.40 C ATOM 2098 NZ LYS B 69 7.885 -9.046 -14.837 1.00 1.61 N ATOM 0 H LYS B 69 4.744 -4.238 -12.328 1.00 1.10 H new ATOM 0 HA LYS B 69 2.572 -5.767 -13.219 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.931 -6.476 -11.415 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.876 -7.659 -12.164 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.553 -6.731 -14.419 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.715 -5.709 -13.596 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.835 -7.703 -12.650 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.644 -8.749 -13.398 1.00 1.24 H new ATOM 0 HE2 LYS B 69 6.348 -7.836 -15.651 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.622 -6.944 -14.844 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 8.436 -9.035 -15.719 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.533 -9.040 -14.023 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 7.298 -9.904 -14.806 1.00 1.61 H new ATOM 2112 N ILE B 70 2.544 -5.181 -9.992 1.00 1.14 N ATOM 2113 CA ILE B 70 1.726 -5.336 -8.786 1.00 1.20 C ATOM 2114 C ILE B 70 0.460 -4.483 -8.838 1.00 1.31 C ATOM 2115 O ILE B 70 -0.456 -4.678 -8.038 1.00 1.43 O ATOM 2116 CB ILE B 70 2.507 -4.996 -7.497 1.00 1.18 C ATOM 2117 CG1 ILE B 70 3.172 -3.623 -7.608 1.00 1.17 C ATOM 2118 CG2 ILE B 70 3.543 -6.073 -7.206 1.00 1.29 C ATOM 2119 CD1 ILE B 70 4.003 -3.247 -6.398 1.00 1.30 C ATOM 0 H ILE B 70 3.326 -4.533 -9.896 1.00 1.14 H new ATOM 0 HA ILE B 70 1.446 -6.389 -8.759 1.00 1.20 H new ATOM 0 HB ILE B 70 1.800 -4.961 -6.668 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.808 -3.608 -8.493 1.00 1.17 H new ATOM 0 HG13 ILE B 70 2.401 -2.867 -7.757 1.00 1.17 H new ATOM 0 HG21 ILE B 70 4.085 -5.820 -6.295 1.00 1.29 H new ATOM 0 HG22 ILE B 70 3.043 -7.033 -7.076 1.00 1.29 H new ATOM 0 HG23 ILE B 70 4.243 -6.139 -8.039 1.00 1.29 H new ATOM 0 HD11 ILE B 70 4.442 -2.261 -6.550 1.00 1.30 H new ATOM 0 HD12 ILE B 70 3.368 -3.228 -5.512 1.00 1.30 H new ATOM 0 HD13 ILE B 70 4.797 -3.981 -6.260 1.00 1.30 H new ATOM 2131 N LEU B 71 0.410 -3.541 -9.774 1.00 1.33 N ATOM 2132 CA LEU B 71 -0.755 -2.676 -9.925 1.00 1.48 C ATOM 2133 C LEU B 71 -1.892 -3.415 -10.626 1.00 1.57 C ATOM 2134 O LEU B 71 -3.063 -3.220 -10.301 1.00 1.69 O ATOM 2135 CB LEU B 71 -0.391 -1.413 -10.709 1.00 1.53 C ATOM 2136 CG LEU B 71 0.423 -0.374 -9.934 1.00 1.62 C ATOM 2137 CD1 LEU B 71 0.907 0.725 -10.866 1.00 1.79 C ATOM 2138 CD2 LEU B 71 -0.404 0.214 -8.800 1.00 1.64 C ATOM 0 H LEU B 71 1.161 -3.357 -10.439 1.00 1.33 H new ATOM 0 HA LEU B 71 -1.090 -2.387 -8.929 1.00 1.48 H new ATOM 0 HB2 LEU B 71 0.173 -1.705 -11.595 1.00 1.53 H new ATOM 0 HB3 LEU B 71 -1.311 -0.944 -11.057 1.00 1.53 H new ATOM 0 HG LEU B 71 1.293 -0.869 -9.504 1.00 1.62 H new ATOM 0 HD11 LEU B 71 1.484 1.455 -10.299 1.00 1.79 H new ATOM 0 HD12 LEU B 71 1.535 0.292 -11.644 1.00 1.79 H new ATOM 0 HD13 LEU B 71 0.049 1.217 -11.324 1.00 1.79 H new ATOM 0 HD21 LEU B 71 0.191 0.951 -8.260 1.00 1.64 H new ATOM 0 HD22 LEU B 71 -1.293 0.695 -9.209 1.00 1.64 H new ATOM 0 HD23 LEU B 71 -0.703 -0.581 -8.118 1.00 1.64 H new ATOM 2150 N ASP B 72 -1.535 -4.265 -11.585 1.00 1.58 N ATOM 2151 CA ASP B 72 -2.521 -5.040 -12.328 1.00 1.72 C ATOM 2152 C ASP B 72 -2.868 -6.327 -11.582 1.00 1.72 C ATOM 2153 O ASP B 72 -4.008 -6.790 -11.620 1.00 1.79 O ATOM 2154 CB ASP B 72 -1.994 -5.369 -13.729 1.00 1.80 C ATOM 2155 CG ASP B 72 -3.015 -6.100 -14.580 1.00 2.04 C ATOM 2156 OD1 ASP B 72 -3.942 -5.440 -15.093 1.00 2.25 O ATOM 2157 OD2 ASP B 72 -2.888 -7.335 -14.732 1.00 2.11 O ATOM 0 H ASP B 72 -0.569 -4.434 -11.865 1.00 1.58 H new ATOM 0 HA ASP B 72 -3.426 -4.440 -12.424 1.00 1.72 H new ATOM 0 HB2 ASP B 72 -1.704 -4.446 -14.230 1.00 1.80 H new ATOM 0 HB3 ASP B 72 -1.096 -5.980 -13.641 1.00 1.80 H new ATOM 2162 N GLY B 73 -1.876 -6.891 -10.896 1.00 1.66 N ATOM 2163 CA GLY B 73 -2.086 -8.116 -10.146 1.00 1.69 C ATOM 2164 C GLY B 73 -2.880 -7.891 -8.871 1.00 1.70 C ATOM 2165 O GLY B 73 -3.528 -8.808 -8.367 1.00 1.76 O ATOM 0 H GLY B 73 -0.928 -6.519 -10.847 1.00 1.66 H new ATOM 0 HA2 GLY B 73 -2.610 -8.837 -10.774 1.00 1.69 H new ATOM 0 HA3 GLY B 73 -1.120 -8.555 -9.896 1.00 1.69 H new ATOM 2169 N GLY B 74 -2.831 -6.665 -8.354 1.00 1.68 N ATOM 2170 CA GLY B 74 -3.557 -6.335 -7.139 1.00 1.74 C ATOM 2171 C GLY B 74 -4.944 -5.786 -7.420 1.00 1.83 C ATOM 2172 O GLY B 74 -5.578 -5.202 -6.540 1.00 2.04 O ATOM 0 H GLY B 74 -2.300 -5.893 -8.756 1.00 1.68 H new ATOM 0 HA2 GLY B 74 -3.642 -7.226 -6.517 1.00 1.74 H new ATOM 0 HA3 GLY B 74 -2.988 -5.601 -6.568 1.00 1.74 H new ATOM 2176 N ASN B 75 -5.412 -5.970 -8.653 1.00 1.81 N ATOM 2177 CA ASN B 75 -6.731 -5.494 -9.056 1.00 1.91 C ATOM 2178 C ASN B 75 -7.514 -6.607 -9.750 1.00 1.93 C ATOM 2179 O ASN B 75 -8.737 -6.691 -9.627 1.00 2.00 O ATOM 2180 CB ASN B 75 -6.594 -4.289 -9.990 1.00 1.98 C ATOM 2181 CG ASN B 75 -7.919 -3.600 -10.257 1.00 2.16 C ATOM 2182 OD1 ASN B 75 -8.794 -3.552 -9.391 1.00 2.32 O ATOM 2183 ND2 ASN B 75 -8.077 -3.065 -11.461 1.00 2.27 N ATOM 0 H ASN B 75 -4.894 -6.447 -9.391 1.00 1.81 H new ATOM 0 HA ASN B 75 -7.276 -5.191 -8.162 1.00 1.91 H new ATOM 0 HB2 ASN B 75 -5.899 -3.573 -9.552 1.00 1.98 H new ATOM 0 HB3 ASN B 75 -6.162 -4.615 -10.936 1.00 1.98 H new ATOM 0 HD21 ASN B 75 -8.949 -2.592 -11.698 1.00 2.27 H new ATOM 0 HD22 ASN B 75 -7.327 -3.127 -12.149 1.00 2.27 H new ATOM 2190 N LYS B 76 -6.796 -7.463 -10.473 1.00 1.93 N ATOM 2191 CA LYS B 76 -7.416 -8.572 -11.194 1.00 1.99 C ATOM 2192 C LYS B 76 -7.721 -9.739 -10.254 1.00 1.96 C ATOM 2193 O LYS B 76 -8.575 -10.578 -10.551 1.00 2.06 O ATOM 2194 CB LYS B 76 -6.500 -9.034 -12.336 1.00 2.03 C ATOM 2195 CG LYS B 76 -7.141 -10.049 -13.271 1.00 2.17 C ATOM 2196 CD LYS B 76 -8.237 -9.421 -14.118 1.00 2.29 C ATOM 2197 CE LYS B 76 -9.294 -10.442 -14.505 1.00 2.46 C ATOM 2198 NZ LYS B 76 -10.064 -10.921 -13.323 1.00 2.45 N ATOM 0 H LYS B 76 -5.783 -7.410 -10.575 1.00 1.93 H new ATOM 0 HA LYS B 76 -8.360 -8.222 -11.612 1.00 1.99 H new ATOM 0 HB2 LYS B 76 -6.193 -8.164 -12.916 1.00 2.03 H new ATOM 0 HB3 LYS B 76 -5.596 -9.468 -11.910 1.00 2.03 H new ATOM 0 HG2 LYS B 76 -6.378 -10.477 -13.922 1.00 2.17 H new ATOM 0 HG3 LYS B 76 -7.558 -10.869 -12.687 1.00 2.17 H new ATOM 0 HD2 LYS B 76 -8.703 -8.605 -13.566 1.00 2.29 H new ATOM 0 HD3 LYS B 76 -7.800 -8.988 -15.018 1.00 2.29 H new ATOM 0 HE2 LYS B 76 -9.978 -9.999 -15.229 1.00 2.46 H new ATOM 0 HE3 LYS B 76 -8.817 -11.290 -14.995 1.00 2.46 H new ATOM 0 HZ1 LYS B 76 -10.058 -11.961 -13.303 1.00 2.45 H new ATOM 0 HZ2 LYS B 76 -9.627 -10.556 -12.453 1.00 2.45 H new ATOM 0 HZ3 LYS B 76 -11.045 -10.581 -13.387 1.00 2.45 H new ATOM 2212 N GLU B 77 -7.024 -9.785 -9.118 1.00 1.88 N ATOM 2213 CA GLU B 77 -7.222 -10.844 -8.131 1.00 1.89 C ATOM 2214 C GLU B 77 -8.612 -10.734 -7.500 1.00 1.97 C ATOM 2215 O GLU B 77 -8.929 -9.742 -6.844 1.00 1.98 O ATOM 2216 CB GLU B 77 -6.143 -10.760 -7.046 1.00 1.86 C ATOM 2217 CG GLU B 77 -5.707 -12.108 -6.487 1.00 1.94 C ATOM 2218 CD GLU B 77 -6.807 -12.819 -5.723 1.00 2.35 C ATOM 2219 OE1 GLU B 77 -7.210 -12.315 -4.654 1.00 2.65 O ATOM 2220 OE2 GLU B 77 -7.263 -13.884 -6.192 1.00 2.78 O ATOM 0 H GLU B 77 -6.316 -9.098 -8.859 1.00 1.88 H new ATOM 0 HA GLU B 77 -7.144 -11.808 -8.634 1.00 1.89 H new ATOM 0 HB2 GLU B 77 -5.271 -10.251 -7.457 1.00 1.86 H new ATOM 0 HB3 GLU B 77 -6.515 -10.144 -6.227 1.00 1.86 H new ATOM 0 HG2 GLU B 77 -5.373 -12.744 -7.307 1.00 1.94 H new ATOM 0 HG3 GLU B 77 -4.851 -11.962 -5.828 1.00 1.94 H new ATOM 2227 N ASN B 78 -9.438 -11.757 -7.711 1.00 2.10 N ATOM 2228 CA ASN B 78 -10.793 -11.772 -7.170 1.00 2.25 C ATOM 2229 C ASN B 78 -10.987 -12.950 -6.218 1.00 2.37 C ATOM 2230 O ASN B 78 -11.182 -14.082 -6.709 1.00 2.48 O ATOM 2231 CB ASN B 78 -11.823 -11.839 -8.303 1.00 2.40 C ATOM 2232 CG ASN B 78 -11.836 -10.589 -9.168 1.00 2.36 C ATOM 2233 OD1 ASN B 78 -12.045 -10.661 -10.379 1.00 2.45 O ATOM 2234 ND2 ASN B 78 -11.621 -9.434 -8.548 1.00 2.29 N ATOM 2235 OXT ASN B 78 -10.951 -12.729 -4.991 1.00 2.38 O ATOM 0 H ASN B 78 -9.192 -12.585 -8.253 1.00 2.10 H new ATOM 0 HA ASN B 78 -10.942 -10.848 -6.611 1.00 2.25 H new ATOM 0 HB2 ASN B 78 -11.610 -12.705 -8.929 1.00 2.40 H new ATOM 0 HB3 ASN B 78 -12.815 -11.990 -7.877 1.00 2.40 H new ATOM 0 HD21 ASN B 78 -11.625 -8.562 -9.078 1.00 2.29 H new ATOM 0 HD22 ASN B 78 -11.452 -9.419 -7.542 1.00 2.29 H new TER 2242 ASN B 78