USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1100 hydrogens (3 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 133 LYS NZ :NH3+ 169:sc= -0.0145 (180deg=-0.152) USER MOD Set 1.2: A 137 GLN : amide:sc= 0 X(o=-0.015,f=-0.015) USER MOD Set 2.1: A 95 TYR OH : rot -179:sc= 2.16 USER MOD Set 2.2: A 97 LYS NZ :NH3+ 178:sc= 2.4 (180deg=1.11) USER MOD Set 3.1: A 75 THR OG1 : rot 114:sc= 0.296 USER MOD Set 3.2: A 77 CYS SG : rot 29:sc= 2.31 USER MOD Set 4.1: A 46 ASN : amide:sc= -0.775 X(o=-0.78,f=-0.56) USER MOD Set 4.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 24:sc= 0.207 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 138:sc= 1.51 (180deg=-0.213!) USER MOD Single : A 33 THR OG1 : rot 68:sc= 1.26 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0305 F(o=-0.88,f=-0.031) USER MOD Single : A 36 ASN : amide:sc= -0.242 X(o=-0.24,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00767) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 66:sc= 1.41 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.147 F(o=-1.3,f=-0.15) USER MOD Single : A 58 ASN : amide:sc= -4.92! C(o=-4.9!,f=-5.5!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.821 USER MOD Single : A 61 ASN : amide:sc= -0.389 K(o=-0.39,f=-7.7!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0262 USER MOD Single : A 67 ASN : amide:sc= -8.95! C(o=-9!,f=-13!) USER MOD Single : A 69 SER OG : rot -77:sc= -0.112 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0361 K(o=-0.036,f=-1.2!) USER MOD Single : A 86 THR OG1 : rot 90:sc= 0.945 USER MOD Single : A 93 LYS NZ :NH3+ -173:sc=-0.00281 (180deg=-0.0534) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 34:sc= 0.274! USER MOD Single : A 100 TYR OH : rot -105:sc= 1.04 USER MOD Single : A 105 SER OG : rot 70:sc= 0.39 USER MOD Single : A 106 ASN :FLIP amide:sc= -0.408 F(o=-2.7!,f=-0.41) USER MOD Single : A 107 MET CE :methyl 176:sc= 0 (180deg=-0.0122) USER MOD Single : A 111 LYS NZ :NH3+ -141:sc= -2.17! (180deg=-4.35!) USER MOD Single : A 119 TYR OH : rot 15:sc= -0.0319 USER MOD Single : A 121 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 124 LYS NZ :NH3+ -179:sc= 1.31 (180deg=1.28) USER MOD Single : A 126 LYS NZ :NH3+ 153:sc= 0.761 (180deg=0.31) USER MOD Single : A 128 HIS : no HD1:sc=-0.00388 X(o=-0.0039,f=-0.021) USER MOD Single : A 130 LYS NZ :NH3+ 166:sc= 1.27 (180deg=1.15) USER MOD Single : A 134 MET CE :methyl 140:sc= -1.58 (180deg=-3.03!) USER MOD Single : A 135 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00631) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 100:sc= -1.64 USER MOD Single : A 140 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.32) USER MOD Single : A 141 LYS NZ :NH3+ -121:sc= 1.29 (180deg=-0.559) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= 0.00519 K(o=0.0052,f=-0.75) USER MOD Single : A 146 LYS NZ :NH3+ 139:sc= 0.0328 (180deg=0) USER MOD Single : B 1 MET CE :methyl -163:sc= -0.0939 (180deg=-0.486) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 17 -19.015 -13.718 12.457 1.00 1.33 N ATOM 2 CA THR A 17 -19.639 -13.615 11.146 1.00 1.20 C ATOM 3 C THR A 17 -18.730 -14.209 10.070 1.00 1.09 C ATOM 4 O THR A 17 -17.501 -14.137 10.171 1.00 1.11 O ATOM 5 CB THR A 17 -19.954 -12.142 10.791 1.00 1.41 C ATOM 6 OG1 THR A 17 -20.634 -11.513 11.885 1.00 2.22 O ATOM 7 CG2 THR A 17 -20.821 -12.042 9.538 1.00 0.92 C ATOM 0 HA THR A 17 -20.573 -14.176 11.183 1.00 1.20 H new ATOM 0 HB THR A 17 -19.008 -11.637 10.597 1.00 1.41 H new ATOM 0 HG1 THR A 17 -20.416 -11.981 12.718 1.00 2.22 H new ATOM 0 HG21 THR A 17 -21.023 -10.994 9.318 1.00 0.92 H new ATOM 0 HG22 THR A 17 -20.298 -12.495 8.696 1.00 0.92 H new ATOM 0 HG23 THR A 17 -21.762 -12.566 9.704 1.00 0.92 H new ATOM 15 N ASP A 18 -19.343 -14.825 9.068 1.00 1.03 N ATOM 16 CA ASP A 18 -18.628 -15.280 7.882 1.00 0.95 C ATOM 17 C ASP A 18 -18.106 -14.073 7.108 1.00 0.84 C ATOM 18 O ASP A 18 -18.363 -12.931 7.499 1.00 0.84 O ATOM 19 CB ASP A 18 -19.572 -16.086 6.978 1.00 0.95 C ATOM 20 CG ASP A 18 -20.147 -17.315 7.652 1.00 1.08 C ATOM 21 OD1 ASP A 18 -21.077 -17.176 8.478 1.00 1.16 O ATOM 22 OD2 ASP A 18 -19.679 -18.433 7.349 1.00 1.18 O ATOM 0 H ASP A 18 -20.344 -15.023 9.053 1.00 1.03 H new ATOM 0 HA ASP A 18 -17.795 -15.911 8.190 1.00 0.95 H new ATOM 0 HB2 ASP A 18 -20.390 -15.442 6.654 1.00 0.95 H new ATOM 0 HB3 ASP A 18 -19.032 -16.391 6.082 1.00 0.95 H new ATOM 27 N PRO A 19 -17.355 -14.281 6.012 1.00 0.78 N ATOM 28 CA PRO A 19 -17.068 -13.202 5.085 1.00 0.70 C ATOM 29 C PRO A 19 -18.371 -12.572 4.624 1.00 0.65 C ATOM 30 O PRO A 19 -19.266 -13.276 4.154 1.00 0.70 O ATOM 31 CB PRO A 19 -16.347 -13.879 3.914 1.00 0.71 C ATOM 32 CG PRO A 19 -16.522 -15.347 4.123 1.00 0.75 C ATOM 33 CD PRO A 19 -16.725 -15.543 5.598 1.00 0.84 C ATOM 0 HA PRO A 19 -16.465 -12.408 5.527 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -16.772 -13.566 2.960 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -15.291 -13.610 3.897 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -17.377 -15.720 3.560 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -15.647 -15.896 3.775 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -17.363 -16.401 5.808 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -15.782 -15.713 6.117 1.00 0.84 H new ATOM 41 N PRO A 20 -18.509 -11.251 4.796 1.00 0.58 N ATOM 42 CA PRO A 20 -19.748 -10.536 4.480 1.00 0.54 C ATOM 43 C PRO A 20 -20.284 -10.894 3.103 1.00 0.55 C ATOM 44 O PRO A 20 -19.515 -11.182 2.186 1.00 0.58 O ATOM 45 CB PRO A 20 -19.325 -9.070 4.542 1.00 0.49 C ATOM 46 CG PRO A 20 -18.210 -9.060 5.527 1.00 0.50 C ATOM 47 CD PRO A 20 -17.467 -10.348 5.309 1.00 0.56 C ATOM 0 HA PRO A 20 -20.559 -10.785 5.164 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.000 -8.707 3.567 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.147 -8.430 4.863 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -17.558 -8.200 5.372 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -18.589 -8.994 6.547 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -16.651 -10.227 4.596 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -17.029 -10.722 6.234 1.00 0.56 H new ATOM 55 N ALA A 21 -21.602 -10.891 2.973 1.00 0.56 N ATOM 56 CA ALA A 21 -22.249 -11.274 1.731 1.00 0.63 C ATOM 57 C ALA A 21 -21.687 -10.475 0.562 1.00 0.60 C ATOM 58 O ALA A 21 -21.364 -9.296 0.712 1.00 0.60 O ATOM 59 CB ALA A 21 -23.750 -11.101 1.861 1.00 0.72 C ATOM 0 H ALA A 21 -22.246 -10.626 3.718 1.00 0.56 H new ATOM 0 HA ALA A 21 -22.045 -12.325 1.528 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -24.232 -11.389 0.927 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -24.120 -11.731 2.670 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -23.978 -10.058 2.080 1.00 0.72 H new ATOM 65 N ASP A 22 -21.573 -11.108 -0.607 1.00 0.64 N ATOM 66 CA ASP A 22 -20.846 -10.508 -1.723 1.00 0.70 C ATOM 67 C ASP A 22 -21.697 -9.469 -2.455 1.00 0.67 C ATOM 68 O ASP A 22 -21.482 -9.161 -3.619 1.00 1.01 O ATOM 69 CB ASP A 22 -20.408 -11.621 -2.682 1.00 1.01 C ATOM 70 CG ASP A 22 -19.540 -11.131 -3.827 1.00 1.54 C ATOM 71 OD1 ASP A 22 -18.473 -10.548 -3.563 1.00 1.66 O ATOM 72 OD2 ASP A 22 -19.933 -11.325 -5.000 1.00 2.34 O ATOM 0 H ASP A 22 -21.971 -12.027 -0.803 1.00 0.64 H new ATOM 0 HA ASP A 22 -19.971 -9.987 -1.335 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -19.861 -12.378 -2.121 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -21.294 -12.106 -3.091 1.00 1.01 H new ATOM 77 N GLY A 23 -22.575 -8.846 -1.709 1.00 0.72 N ATOM 78 CA GLY A 23 -23.207 -7.627 -2.144 1.00 0.69 C ATOM 79 C GLY A 23 -22.569 -6.494 -1.395 1.00 0.61 C ATOM 80 O GLY A 23 -22.372 -5.401 -1.918 1.00 0.60 O ATOM 0 H GLY A 23 -22.870 -9.168 -0.787 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -23.083 -7.494 -3.219 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -24.279 -7.660 -1.948 1.00 0.69 H new ATOM 84 N ALA A 24 -22.209 -6.809 -0.159 1.00 0.59 N ATOM 85 CA ALA A 24 -21.419 -5.940 0.682 1.00 0.55 C ATOM 86 C ALA A 24 -19.957 -6.041 0.277 1.00 0.48 C ATOM 87 O ALA A 24 -19.233 -5.056 0.315 1.00 0.44 O ATOM 88 CB ALA A 24 -21.593 -6.342 2.144 1.00 0.56 C ATOM 0 H ALA A 24 -22.464 -7.689 0.288 1.00 0.59 H new ATOM 0 HA ALA A 24 -21.752 -4.909 0.561 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -20.996 -5.685 2.776 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -22.643 -6.257 2.422 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.264 -7.372 2.280 1.00 0.56 H new ATOM 94 N LEU A 25 -19.525 -7.237 -0.119 1.00 0.49 N ATOM 95 CA LEU A 25 -18.159 -7.420 -0.594 1.00 0.48 C ATOM 96 C LEU A 25 -17.992 -6.848 -1.987 1.00 0.51 C ATOM 97 O LEU A 25 -17.000 -6.178 -2.262 1.00 0.53 O ATOM 98 CB LEU A 25 -17.728 -8.885 -0.581 1.00 0.47 C ATOM 99 CG LEU A 25 -17.533 -9.492 0.805 1.00 0.48 C ATOM 100 CD1 LEU A 25 -16.629 -10.708 0.723 1.00 0.53 C ATOM 101 CD2 LEU A 25 -16.958 -8.469 1.768 1.00 0.49 C ATOM 0 H LEU A 25 -20.095 -8.083 -0.120 1.00 0.49 H new ATOM 0 HA LEU A 25 -17.514 -6.880 0.099 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -18.475 -9.472 -1.115 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -16.794 -8.977 -1.135 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.507 -9.803 1.183 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -16.498 -11.132 1.719 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -17.080 -11.453 0.068 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -15.659 -10.414 0.323 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -16.828 -8.926 2.749 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -15.993 -8.123 1.398 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -17.640 -7.622 1.849 1.00 0.49 H new ATOM 113 N LYS A 26 -18.955 -7.096 -2.875 1.00 0.55 N ATOM 114 CA LYS A 26 -18.911 -6.475 -4.189 1.00 0.59 C ATOM 115 C LYS A 26 -18.963 -4.958 -4.032 1.00 0.52 C ATOM 116 O LYS A 26 -18.390 -4.226 -4.825 1.00 0.53 O ATOM 117 CB LYS A 26 -20.071 -6.957 -5.064 1.00 0.68 C ATOM 118 CG LYS A 26 -21.229 -5.983 -5.133 1.00 0.73 C ATOM 119 CD LYS A 26 -22.476 -6.631 -5.691 1.00 0.82 C ATOM 120 CE LYS A 26 -23.573 -5.608 -5.918 1.00 0.93 C ATOM 121 NZ LYS A 26 -23.413 -4.887 -7.207 1.00 1.53 N ATOM 0 H LYS A 26 -19.755 -7.708 -2.711 1.00 0.55 H new ATOM 0 HA LYS A 26 -17.981 -6.760 -4.681 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -19.701 -7.140 -6.073 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -20.433 -7.911 -4.679 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -21.437 -5.594 -4.136 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -20.952 -5.132 -5.756 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -22.240 -7.129 -6.631 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -22.829 -7.399 -5.003 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -24.542 -6.107 -5.901 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -23.571 -4.889 -5.099 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -24.185 -4.199 -7.318 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -22.501 -4.388 -7.215 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -23.441 -5.569 -7.992 1.00 1.53 H new ATOM 135 N ARG A 27 -19.650 -4.500 -2.986 1.00 0.49 N ATOM 136 CA ARG A 27 -19.751 -3.079 -2.697 1.00 0.45 C ATOM 137 C ARG A 27 -18.467 -2.563 -2.060 1.00 0.39 C ATOM 138 O ARG A 27 -18.052 -1.444 -2.325 1.00 0.37 O ATOM 139 CB ARG A 27 -20.947 -2.798 -1.789 1.00 0.49 C ATOM 140 CG ARG A 27 -21.018 -1.369 -1.284 1.00 0.45 C ATOM 141 CD ARG A 27 -21.100 -0.363 -2.414 1.00 0.51 C ATOM 142 NE ARG A 27 -22.385 -0.404 -3.110 1.00 1.11 N ATOM 143 CZ ARG A 27 -22.890 0.619 -3.802 1.00 1.29 C ATOM 144 NH1 ARG A 27 -22.184 1.733 -3.953 1.00 1.01 N ATOM 145 NH2 ARG A 27 -24.095 0.517 -4.350 1.00 2.11 N ATOM 0 H ARG A 27 -20.145 -5.099 -2.325 1.00 0.49 H new ATOM 0 HA ARG A 27 -19.901 -2.552 -3.639 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -21.864 -3.026 -2.333 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -20.907 -3.473 -0.934 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -21.888 -1.257 -0.637 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.139 -1.157 -0.675 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -20.938 0.639 -2.016 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -20.298 -0.556 -3.127 1.00 0.51 H new ATOM 0 HE ARG A 27 -22.928 -1.266 -3.064 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -21.254 1.808 -3.540 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -22.571 2.514 -4.482 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -24.633 -0.343 -4.242 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -24.482 1.298 -4.879 1.00 2.11 H new ATOM 159 N ALA A 28 -17.846 -3.372 -1.219 1.00 0.39 N ATOM 160 CA ALA A 28 -16.543 -3.032 -0.671 1.00 0.37 C ATOM 161 C ALA A 28 -15.548 -2.917 -1.813 1.00 0.37 C ATOM 162 O ALA A 28 -14.699 -2.024 -1.842 1.00 0.36 O ATOM 163 CB ALA A 28 -16.098 -4.078 0.345 1.00 0.42 C ATOM 0 H ALA A 28 -18.221 -4.266 -0.901 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.600 -2.077 -0.148 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -15.121 -3.805 0.743 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -16.821 -4.125 1.159 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.033 -5.052 -0.140 1.00 0.42 H new ATOM 169 N GLU A 29 -15.696 -3.818 -2.772 1.00 0.43 N ATOM 170 CA GLU A 29 -14.906 -3.794 -3.983 1.00 0.47 C ATOM 171 C GLU A 29 -15.303 -2.585 -4.833 1.00 0.45 C ATOM 172 O GLU A 29 -14.467 -1.980 -5.507 1.00 0.48 O ATOM 173 CB GLU A 29 -15.123 -5.096 -4.758 1.00 0.55 C ATOM 174 CG GLU A 29 -13.906 -5.547 -5.542 1.00 0.84 C ATOM 175 CD GLU A 29 -14.164 -6.797 -6.358 1.00 1.52 C ATOM 176 OE1 GLU A 29 -14.691 -6.676 -7.480 1.00 1.83 O ATOM 177 OE2 GLU A 29 -13.822 -7.902 -5.884 1.00 2.41 O ATOM 0 H GLU A 29 -16.368 -4.584 -2.728 1.00 0.43 H new ATOM 0 HA GLU A 29 -13.849 -3.708 -3.733 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -15.406 -5.882 -4.058 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -15.959 -4.965 -5.445 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -13.589 -4.743 -6.207 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -13.083 -5.732 -4.852 1.00 0.84 H new ATOM 184 N GLU A 30 -16.583 -2.219 -4.771 1.00 0.43 N ATOM 185 CA GLU A 30 -17.079 -1.053 -5.483 1.00 0.44 C ATOM 186 C GLU A 30 -16.481 0.202 -4.901 1.00 0.41 C ATOM 187 O GLU A 30 -16.045 1.073 -5.626 1.00 0.48 O ATOM 188 CB GLU A 30 -18.599 -0.937 -5.399 1.00 0.47 C ATOM 189 CG GLU A 30 -19.364 -1.690 -6.460 1.00 0.64 C ATOM 190 CD GLU A 30 -18.757 -1.576 -7.844 1.00 1.23 C ATOM 191 OE1 GLU A 30 -17.788 -2.299 -8.145 1.00 1.72 O ATOM 192 OE2 GLU A 30 -19.263 -0.764 -8.648 1.00 1.52 O ATOM 0 H GLU A 30 -17.292 -2.717 -4.233 1.00 0.43 H new ATOM 0 HA GLU A 30 -16.790 -1.172 -6.527 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -18.920 -1.294 -4.421 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -18.870 0.117 -5.458 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -19.415 -2.742 -6.181 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -20.388 -1.318 -6.490 1.00 0.64 H new ATOM 199 N LEU A 31 -16.471 0.283 -3.583 1.00 0.36 N ATOM 200 CA LEU A 31 -15.966 1.450 -2.888 1.00 0.36 C ATOM 201 C LEU A 31 -14.491 1.644 -3.174 1.00 0.37 C ATOM 202 O LEU A 31 -14.025 2.770 -3.283 1.00 0.41 O ATOM 203 CB LEU A 31 -16.214 1.311 -1.393 1.00 0.35 C ATOM 204 CG LEU A 31 -17.686 1.243 -0.995 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.822 0.978 0.490 1.00 0.37 C ATOM 206 CD2 LEU A 31 -18.412 2.523 -1.363 1.00 0.42 C ATOM 0 H LEU A 31 -16.811 -0.456 -2.967 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.496 2.332 -3.248 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.713 0.410 -1.038 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.752 2.155 -0.882 1.00 0.35 H new ATOM 0 HG LEU A 31 -18.143 0.420 -1.545 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -18.878 0.933 0.756 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.345 0.029 0.735 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -17.341 1.781 1.048 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.458 2.446 -1.068 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -17.950 3.365 -0.846 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -18.350 2.680 -2.440 1.00 0.42 H new ATOM 218 N LYS A 32 -13.768 0.542 -3.316 1.00 0.37 N ATOM 219 CA LYS A 32 -12.369 0.592 -3.712 1.00 0.41 C ATOM 220 C LYS A 32 -12.259 1.199 -5.107 1.00 0.43 C ATOM 221 O LYS A 32 -11.331 1.951 -5.413 1.00 0.47 O ATOM 222 CB LYS A 32 -11.785 -0.819 -3.719 1.00 0.44 C ATOM 223 CG LYS A 32 -10.275 -0.854 -3.854 1.00 0.76 C ATOM 224 CD LYS A 32 -9.791 -2.254 -4.181 1.00 0.70 C ATOM 225 CE LYS A 32 -9.819 -2.506 -5.677 1.00 0.67 C ATOM 226 NZ LYS A 32 -8.631 -1.914 -6.354 1.00 1.15 N ATOM 0 H LYS A 32 -14.129 -0.400 -3.162 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.813 1.206 -3.003 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -12.070 -1.325 -2.797 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -12.227 -1.382 -4.541 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -9.960 -0.164 -4.637 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -9.815 -0.514 -2.926 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -8.777 -2.388 -3.805 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -10.419 -2.987 -3.674 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -9.849 -3.579 -5.866 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -10.729 -2.082 -6.101 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -8.269 -2.581 -7.065 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -8.904 -1.025 -6.820 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -7.890 -1.722 -5.650 1.00 1.15 H new ATOM 240 N THR A 33 -13.237 0.873 -5.934 1.00 0.43 N ATOM 241 CA THR A 33 -13.291 1.345 -7.303 1.00 0.47 C ATOM 242 C THR A 33 -13.728 2.815 -7.351 1.00 0.47 C ATOM 243 O THR A 33 -13.139 3.625 -8.067 1.00 0.52 O ATOM 244 CB THR A 33 -14.256 0.465 -8.121 1.00 0.49 C ATOM 245 OG1 THR A 33 -13.915 -0.915 -7.936 1.00 0.50 O ATOM 246 CG2 THR A 33 -14.189 0.793 -9.598 1.00 0.57 C ATOM 0 H THR A 33 -14.018 0.271 -5.672 1.00 0.43 H new ATOM 0 HA THR A 33 -12.295 1.275 -7.739 1.00 0.47 H new ATOM 0 HB THR A 33 -15.269 0.660 -7.769 1.00 0.49 H new ATOM 0 HG1 THR A 33 -14.111 -1.179 -7.013 1.00 0.50 H new ATOM 0 HG21 THR A 33 -14.882 0.154 -10.145 1.00 0.57 H new ATOM 0 HG22 THR A 33 -14.461 1.837 -9.751 1.00 0.57 H new ATOM 0 HG23 THR A 33 -13.176 0.624 -9.963 1.00 0.57 H new ATOM 254 N GLN A 34 -14.762 3.152 -6.586 1.00 0.44 N ATOM 255 CA GLN A 34 -15.197 4.538 -6.440 1.00 0.46 C ATOM 256 C GLN A 34 -14.101 5.397 -5.820 1.00 0.46 C ATOM 257 O GLN A 34 -13.947 6.561 -6.162 1.00 0.51 O ATOM 258 CB GLN A 34 -16.451 4.616 -5.577 1.00 0.48 C ATOM 259 CG GLN A 34 -17.540 3.675 -6.037 1.00 0.50 C ATOM 260 CD GLN A 34 -18.883 3.929 -5.377 1.00 0.75 C ATOM 261 OE1 GLN A 34 -18.862 4.442 -4.158 1.00 1.50 O flip ATOM 262 NE2 GLN A 34 -19.932 3.668 -5.962 1.00 1.31 N flip ATOM 0 H GLN A 34 -15.317 2.481 -6.055 1.00 0.44 H new ATOM 0 HA GLN A 34 -15.419 4.920 -7.436 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -16.190 4.385 -4.544 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.831 5.637 -5.589 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.653 3.764 -7.117 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -17.232 2.649 -5.832 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -19.907 3.273 -6.902 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -20.827 3.846 -5.507 1.00 1.31 H new ATOM 271 N ALA A 35 -13.341 4.824 -4.905 1.00 0.43 N ATOM 272 CA ALA A 35 -12.237 5.539 -4.288 1.00 0.44 C ATOM 273 C ALA A 35 -11.116 5.760 -5.292 1.00 0.48 C ATOM 274 O ALA A 35 -10.333 6.693 -5.161 1.00 0.50 O ATOM 275 CB ALA A 35 -11.740 4.790 -3.077 1.00 0.42 C ATOM 0 H ALA A 35 -13.467 3.868 -4.573 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.592 6.516 -3.961 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -10.913 5.337 -2.625 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.549 4.691 -2.353 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.399 3.799 -3.377 1.00 0.42 H new ATOM 281 N ASN A 36 -11.044 4.893 -6.296 1.00 0.53 N ATOM 282 CA ASN A 36 -10.154 5.112 -7.433 1.00 0.61 C ATOM 283 C ASN A 36 -10.626 6.339 -8.208 1.00 0.63 C ATOM 284 O ASN A 36 -9.818 7.127 -8.699 1.00 0.67 O ATOM 285 CB ASN A 36 -10.136 3.882 -8.348 1.00 0.69 C ATOM 286 CG ASN A 36 -9.388 4.103 -9.656 1.00 1.28 C ATOM 287 OD1 ASN A 36 -9.804 3.611 -10.703 1.00 1.88 O ATOM 288 ND2 ASN A 36 -8.275 4.819 -9.611 1.00 2.01 N ATOM 0 H ASN A 36 -11.590 4.033 -6.347 1.00 0.53 H new ATOM 0 HA ASN A 36 -9.140 5.278 -7.068 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -9.678 3.050 -7.814 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -11.162 3.591 -8.571 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -7.735 4.976 -10.462 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -7.958 5.213 -8.725 1.00 2.01 H new ATOM 295 N ASP A 37 -11.943 6.502 -8.271 1.00 0.63 N ATOM 296 CA ASP A 37 -12.560 7.657 -8.919 1.00 0.68 C ATOM 297 C ASP A 37 -12.171 8.925 -8.180 1.00 0.65 C ATOM 298 O ASP A 37 -11.897 9.953 -8.787 1.00 0.68 O ATOM 299 CB ASP A 37 -14.088 7.500 -8.935 1.00 0.73 C ATOM 300 CG ASP A 37 -14.799 8.719 -9.487 1.00 0.90 C ATOM 301 OD1 ASP A 37 -14.826 8.897 -10.724 1.00 1.05 O ATOM 302 OD2 ASP A 37 -15.349 9.500 -8.684 1.00 1.04 O ATOM 0 H ASP A 37 -12.612 5.841 -7.876 1.00 0.63 H new ATOM 0 HA ASP A 37 -12.206 7.721 -9.948 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -14.353 6.629 -9.534 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -14.439 7.308 -7.921 1.00 0.73 H new ATOM 307 N TYR A 38 -12.120 8.827 -6.863 1.00 0.60 N ATOM 308 CA TYR A 38 -11.729 9.950 -6.028 1.00 0.58 C ATOM 309 C TYR A 38 -10.213 10.133 -6.026 1.00 0.57 C ATOM 310 O TYR A 38 -9.715 11.254 -5.920 1.00 0.57 O ATOM 311 CB TYR A 38 -12.259 9.752 -4.611 1.00 0.54 C ATOM 312 CG TYR A 38 -13.751 9.968 -4.503 1.00 0.56 C ATOM 313 CD1 TYR A 38 -14.273 11.253 -4.426 1.00 0.59 C ATOM 314 CD2 TYR A 38 -14.638 8.897 -4.486 1.00 0.63 C ATOM 315 CE1 TYR A 38 -15.632 11.465 -4.335 1.00 0.63 C ATOM 316 CE2 TYR A 38 -15.999 9.103 -4.397 1.00 0.67 C ATOM 317 CZ TYR A 38 -16.491 10.387 -4.319 1.00 0.65 C ATOM 318 OH TYR A 38 -17.849 10.592 -4.226 1.00 0.71 O ATOM 0 H TYR A 38 -12.346 7.977 -6.346 1.00 0.60 H new ATOM 0 HA TYR A 38 -12.166 10.859 -6.441 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -12.018 8.743 -4.277 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -11.748 10.441 -3.938 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -13.603 12.100 -4.438 1.00 0.59 H new ATOM 0 HD2 TYR A 38 -14.255 7.889 -4.543 1.00 0.63 H new ATOM 0 HE1 TYR A 38 -16.022 12.471 -4.277 1.00 0.63 H new ATOM 0 HE2 TYR A 38 -16.676 8.261 -4.389 1.00 0.67 H new ATOM 0 HH TYR A 38 -18.311 9.728 -4.228 1.00 0.71 H new ATOM 328 N PHE A 39 -9.487 9.032 -6.156 1.00 0.57 N ATOM 329 CA PHE A 39 -8.041 9.064 -6.274 1.00 0.57 C ATOM 330 C PHE A 39 -7.633 9.869 -7.503 1.00 0.63 C ATOM 331 O PHE A 39 -6.765 10.742 -7.432 1.00 0.67 O ATOM 332 CB PHE A 39 -7.508 7.632 -6.365 1.00 0.58 C ATOM 333 CG PHE A 39 -6.038 7.536 -6.629 1.00 0.58 C ATOM 334 CD1 PHE A 39 -5.132 7.510 -5.584 1.00 0.55 C ATOM 335 CD2 PHE A 39 -5.563 7.467 -7.927 1.00 0.70 C ATOM 336 CE1 PHE A 39 -3.779 7.420 -5.829 1.00 0.59 C ATOM 337 CE2 PHE A 39 -4.212 7.376 -8.179 1.00 0.73 C ATOM 338 CZ PHE A 39 -3.315 7.354 -7.128 1.00 0.65 C ATOM 0 H PHE A 39 -9.886 8.093 -6.182 1.00 0.57 H new ATOM 0 HA PHE A 39 -7.614 9.546 -5.394 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -7.732 7.114 -5.433 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -8.042 7.108 -7.157 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -5.489 7.561 -4.566 1.00 0.55 H new ATOM 0 HD2 PHE A 39 -6.260 7.485 -8.752 1.00 0.70 H new ATOM 0 HE1 PHE A 39 -3.081 7.401 -5.005 1.00 0.59 H new ATOM 0 HE2 PHE A 39 -3.854 7.322 -9.197 1.00 0.73 H new ATOM 0 HZ PHE A 39 -2.255 7.285 -7.322 1.00 0.65 H new ATOM 348 N LYS A 40 -8.286 9.586 -8.625 1.00 0.66 N ATOM 349 CA LYS A 40 -8.009 10.291 -9.866 1.00 0.74 C ATOM 350 C LYS A 40 -8.688 11.658 -9.861 1.00 0.73 C ATOM 351 O LYS A 40 -8.319 12.550 -10.624 1.00 0.79 O ATOM 352 CB LYS A 40 -8.457 9.452 -11.068 1.00 0.82 C ATOM 353 CG LYS A 40 -9.953 9.172 -11.107 1.00 1.18 C ATOM 354 CD LYS A 40 -10.288 8.015 -12.037 1.00 1.09 C ATOM 355 CE LYS A 40 -9.806 8.269 -13.454 1.00 1.56 C ATOM 356 NZ LYS A 40 -10.119 7.135 -14.361 1.00 2.26 N ATOM 0 H LYS A 40 -9.011 8.872 -8.698 1.00 0.66 H new ATOM 0 HA LYS A 40 -6.934 10.449 -9.950 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -8.171 9.968 -11.985 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -7.921 8.503 -11.055 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -10.306 8.944 -10.101 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -10.482 10.067 -11.435 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -9.832 7.100 -11.657 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -11.366 7.855 -12.044 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -10.270 9.178 -13.837 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -8.729 8.440 -13.445 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -9.773 7.350 -15.318 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -9.656 6.272 -14.011 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -11.148 6.988 -14.390 1.00 2.26 H new ATOM 370 N ALA A 41 -9.677 11.819 -8.985 1.00 0.68 N ATOM 371 CA ALA A 41 -10.331 13.110 -8.794 1.00 0.70 C ATOM 372 C ALA A 41 -9.486 14.008 -7.900 1.00 0.71 C ATOM 373 O ALA A 41 -9.783 15.193 -7.735 1.00 0.78 O ATOM 374 CB ALA A 41 -11.714 12.937 -8.191 1.00 0.68 C ATOM 0 H ALA A 41 -10.043 11.071 -8.396 1.00 0.68 H new ATOM 0 HA ALA A 41 -10.437 13.579 -9.772 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -12.178 13.914 -8.059 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -12.328 12.330 -8.857 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -11.630 12.442 -7.223 1.00 0.68 H new ATOM 380 N LYS A 42 -8.452 13.407 -7.305 1.00 0.68 N ATOM 381 CA LYS A 42 -7.488 14.110 -6.459 1.00 0.70 C ATOM 382 C LYS A 42 -8.066 14.416 -5.081 1.00 0.66 C ATOM 383 O LYS A 42 -7.573 15.292 -4.367 1.00 0.70 O ATOM 384 CB LYS A 42 -6.977 15.387 -7.138 1.00 0.82 C ATOM 385 CG LYS A 42 -6.161 15.115 -8.395 1.00 0.96 C ATOM 386 CD LYS A 42 -4.983 14.198 -8.100 1.00 1.41 C ATOM 387 CE LYS A 42 -4.243 13.793 -9.367 1.00 1.57 C ATOM 388 NZ LYS A 42 -3.595 14.950 -10.037 1.00 2.30 N ATOM 0 H LYS A 42 -8.260 12.410 -7.399 1.00 0.68 H new ATOM 0 HA LYS A 42 -6.637 13.443 -6.317 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -7.827 16.019 -7.395 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -6.366 15.947 -6.430 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -6.798 14.660 -9.154 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -5.798 16.057 -8.807 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -4.293 14.701 -7.423 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -5.339 13.305 -7.587 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -3.486 13.048 -9.120 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -4.942 13.321 -10.058 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -3.062 14.617 -10.866 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -4.323 15.627 -10.343 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -2.946 15.417 -9.372 1.00 2.30 H new ATOM 402 N ASP A 43 -9.093 13.669 -4.700 1.00 0.61 N ATOM 403 CA ASP A 43 -9.645 13.767 -3.354 1.00 0.58 C ATOM 404 C ASP A 43 -9.267 12.518 -2.577 1.00 0.52 C ATOM 405 O ASP A 43 -9.984 11.514 -2.603 1.00 0.54 O ATOM 406 CB ASP A 43 -11.168 13.910 -3.371 1.00 0.61 C ATOM 407 CG ASP A 43 -11.728 14.355 -2.027 1.00 0.61 C ATOM 408 OD1 ASP A 43 -11.282 13.842 -0.976 1.00 0.60 O ATOM 409 OD2 ASP A 43 -12.629 15.213 -2.012 1.00 0.73 O ATOM 0 H ASP A 43 -9.560 12.990 -5.301 1.00 0.61 H new ATOM 0 HA ASP A 43 -9.233 14.658 -2.881 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -11.453 14.632 -4.136 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -11.616 12.956 -3.650 1.00 0.61 H new ATOM 414 N TYR A 44 -8.132 12.567 -1.910 1.00 0.48 N ATOM 415 CA TYR A 44 -7.610 11.396 -1.235 1.00 0.45 C ATOM 416 C TYR A 44 -8.280 11.177 0.110 1.00 0.44 C ATOM 417 O TYR A 44 -8.156 10.107 0.696 1.00 0.43 O ATOM 418 CB TYR A 44 -6.097 11.509 -1.097 1.00 0.45 C ATOM 419 CG TYR A 44 -5.413 11.628 -2.438 1.00 0.48 C ATOM 420 CD1 TYR A 44 -5.366 10.546 -3.307 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.832 12.822 -2.844 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.759 10.650 -4.541 1.00 0.57 C ATOM 423 CE2 TYR A 44 -4.219 12.931 -4.079 1.00 0.65 C ATOM 424 CZ TYR A 44 -4.186 11.839 -4.924 1.00 0.64 C ATOM 425 OH TYR A 44 -3.588 11.937 -6.158 1.00 0.75 O ATOM 0 H TYR A 44 -7.554 13.403 -1.821 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.838 10.519 -1.841 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.853 12.379 -0.487 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.715 10.634 -0.572 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.812 9.608 -3.012 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.859 13.678 -2.186 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -4.734 9.799 -5.205 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -3.769 13.865 -4.381 1.00 0.65 H new ATOM 0 HH TYR A 44 -3.232 12.842 -6.278 1.00 0.75 H new ATOM 435 N GLU A 45 -9.016 12.170 0.580 1.00 0.48 N ATOM 436 CA GLU A 45 -9.755 12.033 1.826 1.00 0.50 C ATOM 437 C GLU A 45 -11.007 11.248 1.604 1.00 0.46 C ATOM 438 O GLU A 45 -11.353 10.372 2.398 1.00 0.43 O ATOM 439 CB GLU A 45 -10.109 13.384 2.397 1.00 0.61 C ATOM 440 CG GLU A 45 -8.881 14.160 2.716 1.00 0.76 C ATOM 441 CD GLU A 45 -9.172 15.529 3.284 1.00 0.87 C ATOM 442 OE1 GLU A 45 -9.555 16.425 2.508 1.00 1.47 O ATOM 443 OE2 GLU A 45 -9.023 15.716 4.508 1.00 1.17 O ATOM 0 H GLU A 45 -9.118 13.075 0.122 1.00 0.48 H new ATOM 0 HA GLU A 45 -9.116 11.507 2.535 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -10.719 13.937 1.683 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -10.709 13.257 3.298 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -8.279 13.598 3.430 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -8.283 14.269 1.811 1.00 0.76 H new ATOM 450 N ASN A 46 -11.702 11.562 0.531 1.00 0.48 N ATOM 451 CA ASN A 46 -12.870 10.804 0.204 1.00 0.48 C ATOM 452 C ASN A 46 -12.457 9.393 -0.172 1.00 0.43 C ATOM 453 O ASN A 46 -13.134 8.425 0.164 1.00 0.43 O ATOM 454 CB ASN A 46 -13.683 11.442 -0.922 1.00 0.53 C ATOM 455 CG ASN A 46 -14.776 12.367 -0.424 1.00 0.60 C ATOM 456 OD1 ASN A 46 -15.894 11.932 -0.148 1.00 0.66 O ATOM 457 ND2 ASN A 46 -14.473 13.650 -0.338 1.00 0.63 N ATOM 0 H ASN A 46 -11.478 12.322 -0.112 1.00 0.48 H new ATOM 0 HA ASN A 46 -13.516 10.784 1.081 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -13.012 12.002 -1.573 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -14.131 10.655 -1.528 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -15.178 14.321 -0.033 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -13.534 13.969 -0.576 1.00 0.63 H new ATOM 464 N ALA A 47 -11.323 9.289 -0.856 1.00 0.41 N ATOM 465 CA ALA A 47 -10.735 7.997 -1.170 1.00 0.38 C ATOM 466 C ALA A 47 -10.499 7.205 0.114 1.00 0.34 C ATOM 467 O ALA A 47 -10.930 6.057 0.229 1.00 0.32 O ATOM 468 CB ALA A 47 -9.439 8.183 -1.946 1.00 0.40 C ATOM 0 H ALA A 47 -10.793 10.088 -1.204 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.425 7.433 -1.797 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -9.009 7.208 -2.175 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.644 8.716 -2.874 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.735 8.758 -1.345 1.00 0.40 H new ATOM 474 N ILE A 48 -9.838 7.841 1.085 1.00 0.34 N ATOM 475 CA ILE A 48 -9.637 7.253 2.412 1.00 0.32 C ATOM 476 C ILE A 48 -10.964 6.789 2.998 1.00 0.29 C ATOM 477 O ILE A 48 -11.069 5.679 3.525 1.00 0.28 O ATOM 478 CB ILE A 48 -8.970 8.262 3.388 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.492 8.440 3.043 1.00 0.37 C ATOM 480 CG2 ILE A 48 -9.121 7.823 4.839 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.767 9.403 3.957 1.00 0.42 C ATOM 0 H ILE A 48 -9.430 8.770 0.975 1.00 0.34 H new ATOM 0 HA ILE A 48 -8.973 6.398 2.289 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.481 9.218 3.273 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -6.998 7.469 3.087 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.408 8.794 2.016 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.642 8.553 5.492 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -10.179 7.751 5.089 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.649 6.850 4.976 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.723 9.479 3.652 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -7.235 10.385 3.896 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.819 9.040 4.983 1.00 0.42 H new ATOM 493 N LYS A 49 -11.974 7.641 2.890 1.00 0.31 N ATOM 494 CA LYS A 49 -13.297 7.334 3.407 1.00 0.32 C ATOM 495 C LYS A 49 -13.873 6.091 2.745 1.00 0.27 C ATOM 496 O LYS A 49 -14.257 5.154 3.428 1.00 0.27 O ATOM 497 CB LYS A 49 -14.241 8.516 3.202 1.00 0.39 C ATOM 498 CG LYS A 49 -15.644 8.275 3.730 1.00 0.44 C ATOM 499 CD LYS A 49 -16.496 9.529 3.635 1.00 0.63 C ATOM 500 CE LYS A 49 -16.982 9.781 2.219 1.00 1.02 C ATOM 501 NZ LYS A 49 -17.955 10.903 2.169 1.00 1.50 N ATOM 0 H LYS A 49 -11.899 8.556 2.445 1.00 0.31 H new ATOM 0 HA LYS A 49 -13.197 7.139 4.475 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -13.823 9.394 3.695 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -14.297 8.745 2.138 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -16.114 7.471 3.164 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.592 7.947 4.768 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -17.354 9.436 4.301 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -15.918 10.387 3.978 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -16.131 10.007 1.576 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -17.447 8.877 1.826 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -18.267 11.049 1.188 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -18.778 10.676 2.764 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -17.503 11.771 2.521 1.00 1.50 H new ATOM 515 N PHE A 50 -13.918 6.078 1.420 1.00 0.27 N ATOM 516 CA PHE A 50 -14.502 4.958 0.691 1.00 0.27 C ATOM 517 C PHE A 50 -13.725 3.668 0.922 1.00 0.23 C ATOM 518 O PHE A 50 -14.309 2.586 0.961 1.00 0.25 O ATOM 519 CB PHE A 50 -14.605 5.281 -0.800 1.00 0.35 C ATOM 520 CG PHE A 50 -15.756 6.193 -1.120 1.00 0.43 C ATOM 521 CD1 PHE A 50 -15.644 7.565 -0.961 1.00 0.71 C ATOM 522 CD2 PHE A 50 -16.957 5.675 -1.572 1.00 0.56 C ATOM 523 CE1 PHE A 50 -16.705 8.400 -1.244 1.00 0.81 C ATOM 524 CE2 PHE A 50 -18.022 6.507 -1.860 1.00 0.65 C ATOM 525 CZ PHE A 50 -17.895 7.869 -1.696 1.00 0.66 C ATOM 0 H PHE A 50 -13.559 6.827 0.828 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.509 4.800 1.077 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.676 5.745 -1.132 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.716 4.353 -1.361 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -14.713 7.986 -0.611 1.00 0.71 H new ATOM 0 HD2 PHE A 50 -17.063 4.608 -1.701 1.00 0.56 H new ATOM 0 HE1 PHE A 50 -16.604 9.467 -1.112 1.00 0.81 H new ATOM 0 HE2 PHE A 50 -18.953 6.090 -2.213 1.00 0.65 H new ATOM 0 HZ PHE A 50 -18.727 8.520 -1.921 1.00 0.66 H new ATOM 535 N TYR A 51 -12.416 3.780 1.104 1.00 0.23 N ATOM 536 CA TYR A 51 -11.609 2.619 1.451 1.00 0.25 C ATOM 537 C TYR A 51 -11.963 2.128 2.852 1.00 0.21 C ATOM 538 O TYR A 51 -12.128 0.930 3.079 1.00 0.23 O ATOM 539 CB TYR A 51 -10.116 2.939 1.357 1.00 0.31 C ATOM 540 CG TYR A 51 -9.613 3.112 -0.057 1.00 0.43 C ATOM 541 CD1 TYR A 51 -10.041 2.267 -1.076 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.702 4.111 -0.374 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.573 2.416 -2.370 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.229 4.267 -1.662 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.668 3.417 -2.656 1.00 0.72 C ATOM 546 OH TYR A 51 -8.195 3.565 -3.941 1.00 0.88 O ATOM 0 H TYR A 51 -11.895 4.653 1.018 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.829 1.826 0.736 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.914 3.852 1.918 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.552 2.139 1.837 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.749 1.483 -0.854 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.357 4.779 0.402 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -9.914 1.753 -3.151 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.520 5.049 -1.890 1.00 0.65 H new ATOM 0 HH TYR A 51 -7.567 4.316 -3.974 1.00 0.88 H new ATOM 556 N SER A 52 -12.108 3.063 3.782 1.00 0.20 N ATOM 557 CA SER A 52 -12.503 2.728 5.143 1.00 0.22 C ATOM 558 C SER A 52 -13.904 2.134 5.147 1.00 0.22 C ATOM 559 O SER A 52 -14.187 1.195 5.881 1.00 0.23 O ATOM 560 CB SER A 52 -12.452 3.966 6.039 1.00 0.25 C ATOM 561 OG SER A 52 -11.164 4.564 6.006 1.00 0.56 O ATOM 0 H SER A 52 -11.958 4.059 3.618 1.00 0.20 H new ATOM 0 HA SER A 52 -11.803 1.990 5.536 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.201 4.688 5.712 1.00 0.25 H new ATOM 0 HB3 SER A 52 -12.702 3.689 7.063 1.00 0.25 H new ATOM 0 HG SER A 52 -10.989 4.915 5.108 1.00 0.56 H new ATOM 567 N GLN A 53 -14.767 2.681 4.297 1.00 0.24 N ATOM 568 CA GLN A 53 -16.126 2.185 4.143 1.00 0.27 C ATOM 569 C GLN A 53 -16.120 0.738 3.655 1.00 0.26 C ATOM 570 O GLN A 53 -16.980 -0.058 4.030 1.00 0.30 O ATOM 571 CB GLN A 53 -16.914 3.083 3.181 1.00 0.31 C ATOM 572 CG GLN A 53 -17.237 4.453 3.757 1.00 0.37 C ATOM 573 CD GLN A 53 -18.220 5.234 2.907 1.00 0.49 C ATOM 574 OE1 GLN A 53 -17.707 6.035 1.990 1.00 1.12 O flip ATOM 575 NE2 GLN A 53 -19.434 5.126 3.080 1.00 0.94 N flip ATOM 0 H GLN A 53 -14.544 3.477 3.699 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.617 2.210 5.116 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.340 3.210 2.263 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -17.844 2.583 2.910 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.647 4.332 4.760 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.315 5.026 3.857 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -19.793 4.497 3.798 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -20.081 5.666 2.505 1.00 0.94 H new ATOM 584 N ALA A 54 -15.131 0.392 2.841 1.00 0.23 N ATOM 585 CA ALA A 54 -14.959 -0.982 2.387 1.00 0.24 C ATOM 586 C ALA A 54 -14.573 -1.885 3.557 1.00 0.23 C ATOM 587 O ALA A 54 -14.887 -3.073 3.571 1.00 0.25 O ATOM 588 CB ALA A 54 -13.909 -1.046 1.287 1.00 0.25 C ATOM 0 H ALA A 54 -14.435 1.045 2.481 1.00 0.23 H new ATOM 0 HA ALA A 54 -15.906 -1.337 1.980 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -13.790 -2.078 0.957 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.226 -0.430 0.445 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -12.958 -0.676 1.670 1.00 0.25 H new ATOM 594 N ILE A 55 -13.907 -1.292 4.543 1.00 0.22 N ATOM 595 CA ILE A 55 -13.508 -1.995 5.764 1.00 0.22 C ATOM 596 C ILE A 55 -14.647 -1.974 6.784 1.00 0.24 C ATOM 597 O ILE A 55 -14.581 -2.592 7.849 1.00 0.27 O ATOM 598 CB ILE A 55 -12.265 -1.337 6.385 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.211 -1.105 5.309 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.694 -2.202 7.500 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.134 -0.147 5.736 1.00 0.28 C ATOM 0 H ILE A 55 -13.627 -0.311 4.521 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.274 -3.026 5.499 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.558 -0.379 6.814 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.756 -2.059 5.043 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.695 -0.721 4.411 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -10.815 -1.716 7.924 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.446 -2.336 8.278 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.412 -3.175 7.097 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.415 -0.024 4.926 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.580 0.819 5.975 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.626 -0.540 6.617 1.00 0.28 H new ATOM 613 N GLU A 56 -15.685 -1.235 6.461 1.00 0.27 N ATOM 614 CA GLU A 56 -16.901 -1.255 7.246 1.00 0.31 C ATOM 615 C GLU A 56 -17.801 -2.363 6.723 1.00 0.31 C ATOM 616 O GLU A 56 -18.653 -2.894 7.437 1.00 0.34 O ATOM 617 CB GLU A 56 -17.601 0.100 7.151 1.00 0.34 C ATOM 618 CG GLU A 56 -16.680 1.268 7.460 1.00 0.36 C ATOM 619 CD GLU A 56 -16.452 1.463 8.942 1.00 0.45 C ATOM 620 OE1 GLU A 56 -17.424 1.783 9.661 1.00 0.78 O ATOM 621 OE2 GLU A 56 -15.297 1.320 9.396 1.00 0.81 O ATOM 0 H GLU A 56 -15.712 -0.609 5.656 1.00 0.27 H new ATOM 0 HA GLU A 56 -16.669 -1.445 8.294 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -18.009 0.222 6.148 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.444 0.116 7.842 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -15.721 1.107 6.968 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.105 2.180 7.040 1.00 0.36 H new ATOM 628 N LEU A 57 -17.583 -2.715 5.463 1.00 0.31 N ATOM 629 CA LEU A 57 -18.315 -3.793 4.826 1.00 0.33 C ATOM 630 C LEU A 57 -17.587 -5.113 5.032 1.00 0.33 C ATOM 631 O LEU A 57 -18.130 -6.032 5.640 1.00 0.40 O ATOM 632 CB LEU A 57 -18.491 -3.491 3.344 1.00 0.34 C ATOM 633 CG LEU A 57 -19.085 -2.114 3.057 1.00 0.35 C ATOM 634 CD1 LEU A 57 -19.140 -1.856 1.570 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.469 -1.980 3.669 1.00 0.40 C ATOM 0 H LEU A 57 -16.897 -2.262 4.859 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.302 -3.877 5.280 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.522 -3.567 2.851 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.134 -4.252 2.903 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.436 -1.367 3.515 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.566 -0.870 1.387 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.133 -1.898 1.156 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.761 -2.614 1.092 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -20.869 -0.990 3.450 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.128 -2.739 3.248 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.404 -2.114 4.749 1.00 0.40 H new ATOM 647 N ASN A 58 -16.351 -5.202 4.547 1.00 0.29 N ATOM 648 CA ASN A 58 -15.511 -6.349 4.841 1.00 0.30 C ATOM 649 C ASN A 58 -14.645 -5.946 6.024 1.00 0.30 C ATOM 650 O ASN A 58 -14.619 -4.780 6.368 1.00 0.34 O ATOM 651 CB ASN A 58 -14.662 -6.639 3.578 1.00 0.35 C ATOM 652 CG ASN A 58 -13.647 -7.759 3.728 1.00 0.59 C ATOM 653 OD1 ASN A 58 -12.516 -7.532 4.146 1.00 1.53 O ATOM 654 ND2 ASN A 58 -14.032 -8.971 3.358 1.00 0.57 N ATOM 0 H ASN A 58 -15.915 -4.496 3.953 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.071 -7.250 5.090 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.334 -6.886 2.756 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.135 -5.727 3.296 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -13.380 -9.753 3.416 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -14.981 -9.122 3.015 1.00 0.57 H new ATOM 661 N PRO A 59 -13.941 -6.860 6.678 1.00 0.31 N ATOM 662 CA PRO A 59 -12.932 -6.501 7.653 1.00 0.35 C ATOM 663 C PRO A 59 -11.488 -6.759 7.207 1.00 0.35 C ATOM 664 O PRO A 59 -10.781 -5.842 6.786 1.00 0.35 O ATOM 665 CB PRO A 59 -13.347 -7.385 8.813 1.00 0.41 C ATOM 666 CG PRO A 59 -13.943 -8.622 8.181 1.00 0.41 C ATOM 667 CD PRO A 59 -14.210 -8.292 6.725 1.00 0.34 C ATOM 0 HA PRO A 59 -12.901 -5.432 7.866 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.492 -7.637 9.440 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -14.073 -6.881 9.451 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -13.259 -9.466 8.266 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -14.865 -8.907 8.687 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.557 -8.851 6.055 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.236 -8.523 6.437 1.00 0.34 H new ATOM 675 N SER A 60 -11.062 -8.014 7.306 1.00 0.44 N ATOM 676 CA SER A 60 -9.689 -8.386 7.030 1.00 0.49 C ATOM 677 C SER A 60 -9.444 -8.504 5.533 1.00 0.49 C ATOM 678 O SER A 60 -9.494 -9.595 4.961 1.00 0.68 O ATOM 679 CB SER A 60 -9.340 -9.704 7.731 1.00 0.63 C ATOM 680 OG SER A 60 -7.989 -10.072 7.502 1.00 1.52 O ATOM 0 H SER A 60 -11.659 -8.794 7.579 1.00 0.44 H new ATOM 0 HA SER A 60 -9.043 -7.599 7.419 1.00 0.49 H new ATOM 0 HB2 SER A 60 -9.515 -9.605 8.802 1.00 0.63 H new ATOM 0 HB3 SER A 60 -9.999 -10.494 7.372 1.00 0.63 H new ATOM 0 HG SER A 60 -7.797 -10.915 7.963 1.00 1.52 H new ATOM 686 N ASN A 61 -9.245 -7.371 4.889 1.00 0.43 N ATOM 687 CA ASN A 61 -8.812 -7.362 3.510 1.00 0.45 C ATOM 688 C ASN A 61 -7.557 -6.517 3.377 1.00 0.38 C ATOM 689 O ASN A 61 -7.610 -5.285 3.477 1.00 0.34 O ATOM 690 CB ASN A 61 -9.909 -6.837 2.587 1.00 0.48 C ATOM 691 CG ASN A 61 -9.675 -7.241 1.143 1.00 0.79 C ATOM 692 OD1 ASN A 61 -8.535 -7.385 0.705 1.00 1.76 O ATOM 693 ND2 ASN A 61 -10.750 -7.441 0.396 1.00 1.07 N ATOM 0 H ASN A 61 -9.377 -6.447 5.300 1.00 0.43 H new ATOM 0 HA ASN A 61 -8.592 -8.387 3.210 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -10.875 -7.217 2.918 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -9.953 -5.750 2.657 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -10.648 -7.725 -0.578 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -11.680 -7.311 0.795 1.00 1.07 H new ATOM 700 N ALA A 62 -6.429 -7.183 3.160 1.00 0.42 N ATOM 701 CA ALA A 62 -5.145 -6.506 3.025 1.00 0.42 C ATOM 702 C ALA A 62 -5.182 -5.485 1.897 1.00 0.37 C ATOM 703 O ALA A 62 -4.447 -4.502 1.911 1.00 0.38 O ATOM 704 CB ALA A 62 -4.040 -7.517 2.781 1.00 0.52 C ATOM 0 H ALA A 62 -6.378 -8.198 3.073 1.00 0.42 H new ATOM 0 HA ALA A 62 -4.942 -5.977 3.956 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.087 -6.998 2.682 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -3.990 -8.211 3.620 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.249 -8.070 1.865 1.00 0.52 H new ATOM 710 N ILE A 63 -6.058 -5.725 0.932 1.00 0.36 N ATOM 711 CA ILE A 63 -6.231 -4.820 -0.193 1.00 0.35 C ATOM 712 C ILE A 63 -6.721 -3.459 0.276 1.00 0.31 C ATOM 713 O ILE A 63 -6.134 -2.436 -0.052 1.00 0.34 O ATOM 714 CB ILE A 63 -7.228 -5.401 -1.217 1.00 0.43 C ATOM 715 CG1 ILE A 63 -6.674 -6.705 -1.790 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.514 -4.399 -2.329 1.00 0.49 C ATOM 717 CD1 ILE A 63 -5.425 -6.506 -2.604 1.00 0.74 C ATOM 0 H ILE A 63 -6.664 -6.545 0.907 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.259 -4.701 -0.672 1.00 0.35 H new ATOM 0 HB ILE A 63 -8.171 -5.609 -0.711 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.462 -7.394 -0.972 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -7.436 -7.174 -2.413 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -8.219 -4.833 -3.037 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -7.941 -3.492 -1.901 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.586 -4.154 -2.845 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -5.081 -7.468 -2.983 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -5.638 -5.841 -3.441 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -4.650 -6.064 -1.978 1.00 0.74 H new ATOM 729 N TYR A 64 -7.773 -3.455 1.084 1.00 0.29 N ATOM 730 CA TYR A 64 -8.405 -2.210 1.498 1.00 0.28 C ATOM 731 C TYR A 64 -7.489 -1.410 2.417 1.00 0.30 C ATOM 732 O TYR A 64 -7.507 -0.179 2.414 1.00 0.34 O ATOM 733 CB TYR A 64 -9.741 -2.488 2.185 1.00 0.26 C ATOM 734 CG TYR A 64 -10.732 -3.226 1.311 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.691 -3.113 -0.075 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.697 -4.048 1.872 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.587 -3.797 -0.874 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.594 -4.738 1.080 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.534 -4.611 -0.293 1.00 0.35 C ATOM 740 OH TYR A 64 -13.421 -5.305 -1.083 1.00 0.42 O ATOM 0 H TYR A 64 -8.205 -4.297 1.464 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.592 -1.614 0.604 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.561 -3.072 3.088 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.182 -1.542 2.500 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -9.946 -2.480 -0.534 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.748 -4.151 2.946 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.545 -3.694 -1.948 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.339 -5.374 1.533 1.00 0.43 H new ATOM 0 HH TYR A 64 -14.021 -5.832 -0.515 1.00 0.42 H new ATOM 750 N TYR A 65 -6.680 -2.112 3.196 1.00 0.30 N ATOM 751 CA TYR A 65 -5.709 -1.453 4.055 1.00 0.32 C ATOM 752 C TYR A 65 -4.502 -0.980 3.245 1.00 0.33 C ATOM 753 O TYR A 65 -3.856 0.008 3.596 1.00 0.37 O ATOM 754 CB TYR A 65 -5.291 -2.378 5.197 1.00 0.34 C ATOM 755 CG TYR A 65 -6.289 -2.402 6.339 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.469 -3.140 6.261 1.00 0.37 C ATOM 757 CD2 TYR A 65 -6.047 -1.681 7.499 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.371 -3.154 7.307 1.00 0.40 C ATOM 759 CE2 TYR A 65 -6.944 -1.691 8.548 1.00 0.58 C ATOM 760 CZ TYR A 65 -8.104 -2.427 8.447 1.00 0.47 C ATOM 761 OH TYR A 65 -8.995 -2.445 9.495 1.00 0.55 O ATOM 0 H TYR A 65 -6.676 -3.131 3.251 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.175 -0.571 4.494 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.166 -3.389 4.810 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.320 -2.060 5.577 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -7.681 -3.710 5.369 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -5.140 -1.101 7.583 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.281 -3.732 7.232 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -6.737 -1.124 9.444 1.00 0.58 H new ATOM 0 HH TYR A 65 -8.657 -1.881 10.222 1.00 0.55 H new ATOM 771 N GLY A 66 -4.210 -1.677 2.150 1.00 0.35 N ATOM 772 CA GLY A 66 -3.197 -1.210 1.223 1.00 0.41 C ATOM 773 C GLY A 66 -3.680 0.015 0.478 1.00 0.43 C ATOM 774 O GLY A 66 -2.920 0.951 0.217 1.00 0.51 O ATOM 0 H GLY A 66 -4.657 -2.556 1.889 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.281 -0.975 1.765 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.953 -2.001 0.514 1.00 0.41 H new ATOM 778 N ASN A 67 -4.962 -0.007 0.143 1.00 0.44 N ATOM 779 CA ASN A 67 -5.634 1.136 -0.454 1.00 0.57 C ATOM 780 C ASN A 67 -5.492 2.362 0.438 1.00 0.41 C ATOM 781 O ASN A 67 -5.077 3.431 -0.013 1.00 0.38 O ATOM 782 CB ASN A 67 -7.124 0.844 -0.636 1.00 0.84 C ATOM 783 CG ASN A 67 -7.433 -0.280 -1.606 1.00 1.28 C ATOM 784 OD1 ASN A 67 -8.409 -1.004 -1.427 1.00 2.28 O ATOM 785 ND2 ASN A 67 -6.631 -0.425 -2.644 1.00 1.35 N ATOM 0 H ASN A 67 -5.565 -0.819 0.278 1.00 0.44 H new ATOM 0 HA ASN A 67 -5.171 1.326 -1.423 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -7.554 0.597 0.335 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -7.619 1.751 -0.982 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -6.813 -1.157 -3.330 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -5.830 0.195 -2.760 1.00 1.35 H new ATOM 792 N ARG A 68 -5.848 2.194 1.710 1.00 0.39 N ATOM 793 CA ARG A 68 -5.819 3.293 2.666 1.00 0.39 C ATOM 794 C ARG A 68 -4.416 3.822 2.876 1.00 0.31 C ATOM 795 O ARG A 68 -4.201 5.028 2.817 1.00 0.32 O ATOM 796 CB ARG A 68 -6.392 2.882 4.015 1.00 0.53 C ATOM 797 CG ARG A 68 -7.896 2.730 4.026 1.00 0.80 C ATOM 798 CD ARG A 68 -8.472 3.191 5.351 1.00 0.48 C ATOM 799 NE ARG A 68 -7.826 2.547 6.495 1.00 0.94 N ATOM 800 CZ ARG A 68 -8.348 2.512 7.721 1.00 1.16 C ATOM 801 NH1 ARG A 68 -9.540 3.049 7.953 1.00 1.42 N ATOM 802 NH2 ARG A 68 -7.669 1.951 8.713 1.00 1.87 N ATOM 0 H ARG A 68 -6.160 1.305 2.101 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.438 4.080 2.236 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -5.940 1.937 4.317 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -6.107 3.625 4.760 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -8.331 3.311 3.213 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -8.162 1.688 3.851 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -8.361 4.272 5.436 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -9.541 2.978 5.373 1.00 0.48 H new ATOM 0 HE ARG A 68 -6.922 2.098 6.345 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -10.058 3.489 7.192 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -9.938 3.021 8.892 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -6.749 1.547 8.537 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -8.067 1.923 9.652 1.00 1.87 H new ATOM 816 N SER A 69 -3.470 2.928 3.135 1.00 0.31 N ATOM 817 CA SER A 69 -2.097 3.335 3.389 1.00 0.32 C ATOM 818 C SER A 69 -1.562 4.196 2.248 1.00 0.27 C ATOM 819 O SER A 69 -0.930 5.216 2.486 1.00 0.27 O ATOM 820 CB SER A 69 -1.212 2.110 3.625 1.00 0.43 C ATOM 821 OG SER A 69 -1.497 1.085 2.695 1.00 1.16 O ATOM 0 H SER A 69 -3.629 1.921 3.174 1.00 0.31 H new ATOM 0 HA SER A 69 -2.079 3.943 4.293 1.00 0.32 H new ATOM 0 HB2 SER A 69 -0.163 2.395 3.545 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.365 1.738 4.638 1.00 0.43 H new ATOM 0 HG SER A 69 -2.325 0.630 2.954 1.00 1.16 H new ATOM 827 N LEU A 70 -1.848 3.799 1.014 1.00 0.28 N ATOM 828 CA LEU A 70 -1.479 4.592 -0.154 1.00 0.31 C ATOM 829 C LEU A 70 -2.176 5.958 -0.125 1.00 0.31 C ATOM 830 O LEU A 70 -1.571 6.983 -0.445 1.00 0.38 O ATOM 831 CB LEU A 70 -1.825 3.814 -1.435 1.00 0.36 C ATOM 832 CG LEU A 70 -1.341 4.418 -2.763 1.00 0.46 C ATOM 833 CD1 LEU A 70 -2.314 5.469 -3.269 1.00 1.25 C ATOM 834 CD2 LEU A 70 0.058 5.007 -2.619 1.00 1.16 C ATOM 0 H LEU A 70 -2.336 2.930 0.795 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.405 4.775 -0.138 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.409 2.811 -1.346 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -2.909 3.706 -1.485 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.297 3.614 -3.497 1.00 0.46 H new ATOM 0 HD11 LEU A 70 -1.948 5.881 -4.210 1.00 1.25 H new ATOM 0 HD12 LEU A 70 -3.291 5.013 -3.428 1.00 1.25 H new ATOM 0 HD13 LEU A 70 -2.402 6.268 -2.533 1.00 1.25 H new ATOM 0 HD21 LEU A 70 0.376 5.427 -3.573 1.00 1.16 H new ATOM 0 HD22 LEU A 70 0.046 5.792 -1.863 1.00 1.16 H new ATOM 0 HD23 LEU A 70 0.753 4.223 -2.318 1.00 1.16 H new ATOM 846 N ALA A 71 -3.439 5.977 0.282 1.00 0.26 N ATOM 847 CA ALA A 71 -4.191 7.218 0.384 1.00 0.30 C ATOM 848 C ALA A 71 -3.567 8.125 1.437 1.00 0.29 C ATOM 849 O ALA A 71 -3.416 9.329 1.229 1.00 0.36 O ATOM 850 CB ALA A 71 -5.643 6.929 0.720 1.00 0.32 C ATOM 0 H ALA A 71 -3.964 5.144 0.547 1.00 0.26 H new ATOM 0 HA ALA A 71 -4.157 7.730 -0.578 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -6.193 7.867 0.793 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -6.082 6.311 -0.063 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.698 6.401 1.672 1.00 0.32 H new ATOM 856 N TYR A 72 -3.187 7.524 2.557 1.00 0.25 N ATOM 857 CA TYR A 72 -2.463 8.224 3.607 1.00 0.25 C ATOM 858 C TYR A 72 -1.093 8.657 3.093 1.00 0.26 C ATOM 859 O TYR A 72 -0.555 9.686 3.498 1.00 0.30 O ATOM 860 CB TYR A 72 -2.303 7.327 4.837 1.00 0.25 C ATOM 861 CG TYR A 72 -3.584 7.092 5.614 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.206 8.130 6.296 1.00 0.34 C ATOM 863 CD2 TYR A 72 -4.169 5.834 5.668 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.372 7.921 7.009 1.00 0.41 C ATOM 865 CE2 TYR A 72 -5.335 5.617 6.377 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.933 6.663 7.046 1.00 0.43 C ATOM 867 OH TYR A 72 -7.091 6.450 7.755 1.00 0.52 O ATOM 0 H TYR A 72 -3.371 6.542 2.762 1.00 0.25 H new ATOM 0 HA TYR A 72 -3.032 9.108 3.895 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.904 6.364 4.519 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.565 7.774 5.504 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.771 9.118 6.269 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -3.704 5.010 5.146 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.841 8.740 7.534 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -5.776 4.632 6.407 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.354 5.509 7.678 1.00 0.52 H new ATOM 877 N LEU A 73 -0.544 7.863 2.184 1.00 0.26 N ATOM 878 CA LEU A 73 0.728 8.165 1.546 1.00 0.30 C ATOM 879 C LEU A 73 0.602 9.362 0.614 1.00 0.37 C ATOM 880 O LEU A 73 1.600 9.920 0.161 1.00 0.50 O ATOM 881 CB LEU A 73 1.241 6.942 0.777 1.00 0.31 C ATOM 882 CG LEU A 73 1.833 5.838 1.658 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.206 4.619 0.835 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.050 6.350 2.411 1.00 0.43 C ATOM 0 H LEU A 73 -0.969 6.991 1.869 1.00 0.26 H new ATOM 0 HA LEU A 73 1.447 8.418 2.326 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.419 6.524 0.196 1.00 0.31 H new ATOM 0 HB3 LEU A 73 2.000 7.268 0.066 1.00 0.31 H new ATOM 0 HG LEU A 73 1.069 5.544 2.378 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.623 3.853 1.488 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.317 4.229 0.340 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.946 4.899 0.085 1.00 0.33 H new ATOM 0 HD21 LEU A 73 3.457 5.551 3.031 1.00 0.43 H new ATOM 0 HD22 LEU A 73 3.807 6.677 1.699 1.00 0.43 H new ATOM 0 HD23 LEU A 73 2.760 7.189 3.044 1.00 0.43 H new ATOM 896 N ARG A 74 -0.628 9.730 0.299 1.00 0.38 N ATOM 897 CA ARG A 74 -0.881 10.941 -0.467 1.00 0.48 C ATOM 898 C ARG A 74 -1.097 12.125 0.472 1.00 0.53 C ATOM 899 O ARG A 74 -0.603 13.227 0.233 1.00 0.67 O ATOM 900 CB ARG A 74 -2.113 10.766 -1.356 1.00 0.51 C ATOM 901 CG ARG A 74 -2.157 9.452 -2.131 1.00 0.48 C ATOM 902 CD ARG A 74 -1.090 9.362 -3.216 1.00 1.19 C ATOM 903 NE ARG A 74 0.273 9.440 -2.692 1.00 1.95 N ATOM 904 CZ ARG A 74 1.348 9.619 -3.454 1.00 2.78 C ATOM 905 NH1 ARG A 74 1.223 9.673 -4.774 1.00 3.07 N ATOM 906 NH2 ARG A 74 2.546 9.747 -2.894 1.00 3.53 N ATOM 0 H ARG A 74 -1.466 9.210 0.560 1.00 0.38 H new ATOM 0 HA ARG A 74 -0.012 11.133 -1.097 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -3.006 10.836 -0.735 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -2.153 11.592 -2.066 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -2.030 8.622 -1.435 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -3.141 9.339 -2.587 1.00 0.48 H new ATOM 0 HD2 ARG A 74 -1.211 8.424 -3.758 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -1.243 10.167 -3.934 1.00 1.19 H new ATOM 0 HE ARG A 74 0.407 9.352 -1.685 1.00 1.95 H new ATOM 0 HH11 ARG A 74 0.303 9.577 -5.203 1.00 3.07 H new ATOM 0 HH12 ARG A 74 2.047 9.810 -5.359 1.00 3.07 H new ATOM 0 HH21 ARG A 74 2.641 9.708 -1.879 1.00 3.53 H new ATOM 0 HH22 ARG A 74 3.370 9.884 -3.479 1.00 3.53 H new ATOM 920 N THR A 75 -1.809 11.876 1.560 1.00 0.48 N ATOM 921 CA THR A 75 -2.229 12.931 2.475 1.00 0.57 C ATOM 922 C THR A 75 -1.192 13.202 3.570 1.00 0.70 C ATOM 923 O THR A 75 -1.563 13.549 4.690 1.00 1.53 O ATOM 924 CB THR A 75 -3.565 12.548 3.134 1.00 0.54 C ATOM 925 OG1 THR A 75 -3.436 11.283 3.797 1.00 0.55 O ATOM 926 CG2 THR A 75 -4.674 12.460 2.101 1.00 0.49 C ATOM 0 H THR A 75 -2.112 10.942 1.835 1.00 0.48 H new ATOM 0 HA THR A 75 -2.339 13.841 1.885 1.00 0.57 H new ATOM 0 HB THR A 75 -3.820 13.322 3.858 1.00 0.54 H new ATOM 0 HG1 THR A 75 -3.527 11.410 4.764 1.00 0.55 H new ATOM 0 HG21 THR A 75 -5.608 12.188 2.592 1.00 0.49 H new ATOM 0 HG22 THR A 75 -4.791 13.426 1.609 1.00 0.49 H new ATOM 0 HG23 THR A 75 -4.421 11.703 1.359 1.00 0.49 H new ATOM 934 N GLU A 76 0.097 13.052 3.228 1.00 0.57 N ATOM 935 CA GLU A 76 1.227 13.248 4.164 1.00 0.59 C ATOM 936 C GLU A 76 1.000 12.528 5.500 1.00 0.42 C ATOM 937 O GLU A 76 1.498 12.942 6.548 1.00 0.45 O ATOM 938 CB GLU A 76 1.534 14.745 4.389 1.00 0.86 C ATOM 939 CG GLU A 76 0.470 15.522 5.151 1.00 1.85 C ATOM 940 CD GLU A 76 0.896 16.940 5.460 1.00 2.38 C ATOM 941 OE1 GLU A 76 0.679 17.828 4.610 1.00 2.77 O ATOM 942 OE2 GLU A 76 1.440 17.178 6.558 1.00 2.71 O ATOM 0 H GLU A 76 0.392 12.789 2.288 1.00 0.57 H new ATOM 0 HA GLU A 76 2.101 12.797 3.693 1.00 0.59 H new ATOM 0 HB2 GLU A 76 2.477 14.828 4.929 1.00 0.86 H new ATOM 0 HB3 GLU A 76 1.680 15.218 3.418 1.00 0.86 H new ATOM 0 HG2 GLU A 76 -0.449 15.542 4.566 1.00 1.85 H new ATOM 0 HG3 GLU A 76 0.244 15.003 6.083 1.00 1.85 H new ATOM 949 N CYS A 77 0.293 11.414 5.433 1.00 0.32 N ATOM 950 CA CYS A 77 -0.065 10.628 6.605 1.00 0.32 C ATOM 951 C CYS A 77 0.743 9.346 6.658 1.00 0.32 C ATOM 952 O CYS A 77 0.225 8.297 7.044 1.00 0.35 O ATOM 953 CB CYS A 77 -1.554 10.299 6.590 1.00 0.33 C ATOM 954 SG CYS A 77 -2.637 11.744 6.690 1.00 0.37 S ATOM 0 H CYS A 77 -0.053 11.024 4.556 1.00 0.32 H new ATOM 0 HA CYS A 77 0.160 11.221 7.492 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.784 9.750 5.677 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.776 9.635 7.425 1.00 0.33 H new ATOM 0 HG CYS A 77 -2.044 12.769 6.153 1.00 0.37 H new ATOM 960 N TYR A 78 2.003 9.429 6.245 1.00 0.34 N ATOM 961 CA TYR A 78 2.848 8.253 6.106 1.00 0.38 C ATOM 962 C TYR A 78 2.921 7.464 7.420 1.00 0.41 C ATOM 963 O TYR A 78 3.208 6.267 7.415 1.00 0.43 O ATOM 964 CB TYR A 78 4.253 8.662 5.667 1.00 0.44 C ATOM 965 CG TYR A 78 4.297 9.815 4.682 1.00 0.42 C ATOM 966 CD1 TYR A 78 3.581 9.767 3.499 1.00 0.55 C ATOM 967 CD2 TYR A 78 5.057 10.950 4.938 1.00 0.54 C ATOM 968 CE1 TYR A 78 3.617 10.809 2.592 1.00 0.66 C ATOM 969 CE2 TYR A 78 5.100 12.000 4.038 1.00 0.66 C ATOM 970 CZ TYR A 78 4.375 11.923 2.865 1.00 0.66 C ATOM 971 OH TYR A 78 4.415 12.963 1.961 1.00 0.84 O ATOM 0 H TYR A 78 2.462 10.306 6.000 1.00 0.34 H new ATOM 0 HA TYR A 78 2.406 7.610 5.345 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.831 8.934 6.550 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.745 7.799 5.218 1.00 0.44 H new ATOM 0 HD1 TYR A 78 2.981 8.896 3.280 1.00 0.55 H new ATOM 0 HD2 TYR A 78 5.624 11.014 5.855 1.00 0.54 H new ATOM 0 HE1 TYR A 78 3.052 10.749 1.673 1.00 0.66 H new ATOM 0 HE2 TYR A 78 5.697 12.874 4.251 1.00 0.66 H new ATOM 0 HH TYR A 78 4.995 13.674 2.305 1.00 0.84 H new ATOM 981 N GLY A 79 2.659 8.139 8.537 1.00 0.43 N ATOM 982 CA GLY A 79 2.585 7.461 9.818 1.00 0.49 C ATOM 983 C GLY A 79 1.424 6.480 9.870 1.00 0.42 C ATOM 984 O GLY A 79 1.615 5.297 10.165 1.00 0.42 O ATOM 0 H GLY A 79 2.497 9.145 8.576 1.00 0.43 H new ATOM 0 HA2 GLY A 79 3.519 6.930 10.003 1.00 0.49 H new ATOM 0 HA3 GLY A 79 2.475 8.198 10.614 1.00 0.49 H new ATOM 988 N TYR A 80 0.217 6.968 9.575 1.00 0.38 N ATOM 989 CA TYR A 80 -0.955 6.100 9.464 1.00 0.36 C ATOM 990 C TYR A 80 -0.747 5.077 8.364 1.00 0.30 C ATOM 991 O TYR A 80 -1.130 3.920 8.506 1.00 0.32 O ATOM 992 CB TYR A 80 -2.229 6.902 9.170 1.00 0.40 C ATOM 993 CG TYR A 80 -2.898 7.472 10.399 1.00 0.56 C ATOM 994 CD1 TYR A 80 -3.017 6.719 11.561 1.00 0.96 C ATOM 995 CD2 TYR A 80 -3.430 8.755 10.394 1.00 1.06 C ATOM 996 CE1 TYR A 80 -3.643 7.229 12.682 1.00 1.28 C ATOM 997 CE2 TYR A 80 -4.056 9.272 11.511 1.00 1.34 C ATOM 998 CZ TYR A 80 -4.159 8.504 12.653 1.00 1.29 C ATOM 999 OH TYR A 80 -4.785 9.014 13.768 1.00 1.70 O ATOM 0 H TYR A 80 0.027 7.956 9.409 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.078 5.596 10.423 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -1.982 7.719 8.492 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -2.938 6.259 8.649 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -2.613 5.718 11.588 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -3.353 9.358 9.502 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -3.727 6.630 13.577 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -4.463 10.272 11.491 1.00 1.34 H new ATOM 0 HH TYR A 80 -5.092 9.926 13.583 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.133 5.521 7.276 1.00 0.28 N ATOM 1010 CA ALA A 81 0.154 4.656 6.142 1.00 0.28 C ATOM 1011 C ALA A 81 0.976 3.449 6.571 1.00 0.29 C ATOM 1012 O ALA A 81 0.634 2.313 6.254 1.00 0.33 O ATOM 1013 CB ALA A 81 0.885 5.432 5.060 1.00 0.31 C ATOM 0 H ALA A 81 0.178 6.485 7.155 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.794 4.297 5.741 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.094 4.773 4.217 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.264 6.263 4.726 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.823 5.818 5.460 1.00 0.31 H new ATOM 1019 N LEU A 82 2.044 3.706 7.314 1.00 0.30 N ATOM 1020 CA LEU A 82 2.921 2.650 7.795 1.00 0.34 C ATOM 1021 C LEU A 82 2.143 1.664 8.664 1.00 0.32 C ATOM 1022 O LEU A 82 2.252 0.449 8.487 1.00 0.37 O ATOM 1023 CB LEU A 82 4.104 3.273 8.568 1.00 0.42 C ATOM 1024 CG LEU A 82 5.223 2.316 9.019 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.840 1.590 10.291 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.560 1.312 7.927 1.00 0.52 C ATOM 0 H LEU A 82 2.324 4.645 7.598 1.00 0.30 H new ATOM 0 HA LEU A 82 3.319 2.094 6.946 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.550 4.045 7.941 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.707 3.771 9.452 1.00 0.42 H new ATOM 0 HG LEU A 82 6.108 2.921 9.218 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.649 0.921 10.586 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.662 2.316 11.085 1.00 0.49 H new ATOM 0 HD13 LEU A 82 3.933 1.010 10.120 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.353 0.650 8.274 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.674 0.723 7.688 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.894 1.843 7.036 1.00 0.52 H new ATOM 1038 N ASN A 83 1.343 2.186 9.583 1.00 0.32 N ATOM 1039 CA ASN A 83 0.592 1.341 10.507 1.00 0.39 C ATOM 1040 C ASN A 83 -0.533 0.593 9.796 1.00 0.38 C ATOM 1041 O ASN A 83 -0.808 -0.566 10.109 1.00 0.42 O ATOM 1042 CB ASN A 83 0.024 2.166 11.665 1.00 0.47 C ATOM 1043 CG ASN A 83 1.089 2.589 12.659 1.00 1.25 C ATOM 1044 OD1 ASN A 83 2.102 1.906 12.835 1.00 1.86 O ATOM 1045 ND2 ASN A 83 0.860 3.707 13.330 1.00 2.09 N ATOM 0 H ASN A 83 1.196 3.187 9.710 1.00 0.32 H new ATOM 0 HA ASN A 83 1.288 0.605 10.908 1.00 0.39 H new ATOM 0 HB2 ASN A 83 -0.468 3.053 11.267 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -0.738 1.583 12.182 1.00 0.47 H new ATOM 0 HD21 ASN A 83 1.534 4.033 14.023 1.00 2.09 H new ATOM 0 HD22 ASN A 83 0.010 4.242 13.154 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.171 1.248 8.837 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.279 0.638 8.106 1.00 0.45 C ATOM 1054 C ASP A 84 -1.760 -0.424 7.146 1.00 0.42 C ATOM 1055 O ASP A 84 -2.364 -1.485 6.988 1.00 0.44 O ATOM 1056 CB ASP A 84 -3.079 1.697 7.342 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.575 1.495 7.482 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -5.059 1.413 8.633 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -5.279 1.441 6.457 1.00 1.19 O ATOM 0 H ASP A 84 -0.944 2.199 8.545 1.00 0.39 H new ATOM 0 HA ASP A 84 -2.943 0.164 8.829 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -2.812 2.688 7.710 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -2.807 1.665 6.287 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.622 -0.144 6.522 1.00 0.41 N ATOM 1065 CA ALA A 85 0.030 -1.118 5.659 1.00 0.43 C ATOM 1066 C ALA A 85 0.521 -2.300 6.484 1.00 0.42 C ATOM 1067 O ALA A 85 0.468 -3.446 6.043 1.00 0.42 O ATOM 1068 CB ALA A 85 1.183 -0.480 4.901 1.00 0.48 C ATOM 0 H ALA A 85 -0.133 0.748 6.598 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.696 -1.477 4.929 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.656 -1.226 4.262 1.00 0.48 H new ATOM 0 HB2 ALA A 85 0.806 0.338 4.286 1.00 0.48 H new ATOM 0 HB3 ALA A 85 1.915 -0.093 5.610 1.00 0.48 H new ATOM 1074 N THR A 86 0.987 -2.010 7.695 1.00 0.42 N ATOM 1075 CA THR A 86 1.368 -3.052 8.637 1.00 0.44 C ATOM 1076 C THR A 86 0.155 -3.895 9.003 1.00 0.43 C ATOM 1077 O THR A 86 0.256 -5.106 9.188 1.00 0.44 O ATOM 1078 CB THR A 86 1.987 -2.453 9.917 1.00 0.47 C ATOM 1079 OG1 THR A 86 3.199 -1.763 9.593 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.272 -3.530 10.953 1.00 0.55 C ATOM 0 H THR A 86 1.109 -1.060 8.046 1.00 0.42 H new ATOM 0 HA THR A 86 2.118 -3.679 8.155 1.00 0.44 H new ATOM 0 HB THR A 86 1.267 -1.754 10.344 1.00 0.47 H new ATOM 0 HG1 THR A 86 2.998 -0.825 9.392 1.00 0.47 H new ATOM 0 HG21 THR A 86 2.707 -3.074 11.842 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.342 -4.032 11.221 1.00 0.55 H new ATOM 0 HG23 THR A 86 2.971 -4.257 10.539 1.00 0.55 H new ATOM 1088 N ARG A 87 -0.996 -3.244 9.081 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.233 -3.930 9.399 1.00 0.43 C ATOM 1090 C ARG A 87 -2.607 -4.888 8.277 1.00 0.39 C ATOM 1091 O ARG A 87 -3.132 -5.968 8.528 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.357 -2.925 9.643 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.582 -3.545 10.288 1.00 0.58 C ATOM 1094 CD ARG A 87 -4.203 -4.308 11.546 1.00 0.71 C ATOM 1095 NE ARG A 87 -3.439 -3.480 12.476 1.00 1.63 N ATOM 1096 CZ ARG A 87 -2.770 -3.956 13.522 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -2.819 -5.247 13.821 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -2.058 -3.132 14.276 1.00 3.28 N ATOM 0 H ARG A 87 -1.096 -2.241 8.928 1.00 0.43 H new ATOM 0 HA ARG A 87 -2.086 -4.505 10.313 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -2.986 -2.122 10.280 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.644 -2.472 8.694 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.303 -2.765 10.534 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -5.069 -4.218 9.582 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -5.106 -4.668 12.038 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -3.616 -5.186 11.275 1.00 0.71 H new ATOM 0 HE ARG A 87 -3.417 -2.473 12.313 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -3.373 -5.883 13.247 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -2.303 -5.604 14.625 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -2.025 -2.137 14.053 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -1.543 -3.492 15.079 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.327 -4.490 7.043 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.516 -5.377 5.903 1.00 0.38 C ATOM 1114 C ALA A 88 -1.651 -6.618 6.045 1.00 0.39 C ATOM 1115 O ALA A 88 -2.094 -7.719 5.752 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.205 -4.677 4.594 1.00 0.42 C ATOM 0 H ALA A 88 -1.970 -3.564 6.807 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.565 -5.671 5.888 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.357 -5.369 3.766 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.866 -3.818 4.475 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.169 -4.340 4.599 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.415 -6.426 6.502 1.00 0.42 N ATOM 1123 CA ILE A 89 0.480 -7.543 6.795 1.00 0.47 C ATOM 1124 C ILE A 89 -0.113 -8.428 7.901 1.00 0.47 C ATOM 1125 O ILE A 89 0.170 -9.619 7.989 1.00 0.59 O ATOM 1126 CB ILE A 89 1.878 -7.051 7.245 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.420 -5.968 6.300 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.856 -8.216 7.323 1.00 0.66 C ATOM 1129 CD1 ILE A 89 2.563 -6.406 4.863 1.00 1.15 C ATOM 0 H ILE A 89 -0.010 -5.506 6.677 1.00 0.42 H new ATOM 0 HA ILE A 89 0.589 -8.117 5.875 1.00 0.47 H new ATOM 0 HB ILE A 89 1.771 -6.613 8.237 1.00 0.60 H new ATOM 0 HG12 ILE A 89 1.756 -5.104 6.339 1.00 0.73 H new ATOM 0 HG13 ILE A 89 3.393 -5.639 6.665 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.833 -7.851 7.641 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.491 -8.950 8.042 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.945 -8.683 6.342 1.00 0.66 H new ATOM 0 HD11 ILE A 89 2.951 -5.580 4.268 1.00 1.15 H new ATOM 0 HD12 ILE A 89 3.252 -7.249 4.806 1.00 1.15 H new ATOM 0 HD13 ILE A 89 1.589 -6.706 4.475 1.00 1.15 H new ATOM 1141 N GLU A 90 -0.942 -7.831 8.743 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.601 -8.556 9.826 1.00 0.43 C ATOM 1143 C GLU A 90 -2.866 -9.253 9.335 1.00 0.40 C ATOM 1144 O GLU A 90 -3.425 -10.110 10.023 1.00 0.47 O ATOM 1145 CB GLU A 90 -1.953 -7.598 10.959 1.00 0.44 C ATOM 1146 CG GLU A 90 -0.749 -7.123 11.750 1.00 0.50 C ATOM 1147 CD GLU A 90 -0.066 -8.254 12.485 1.00 0.58 C ATOM 1148 OE1 GLU A 90 -0.522 -8.619 13.588 1.00 0.82 O ATOM 1149 OE2 GLU A 90 0.948 -8.772 11.971 1.00 0.73 O ATOM 0 H GLU A 90 -1.178 -6.840 8.699 1.00 0.42 H new ATOM 0 HA GLU A 90 -0.909 -9.315 10.190 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.469 -6.732 10.544 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.651 -8.091 11.636 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.037 -6.648 11.075 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.063 -6.364 12.466 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.322 -8.863 8.159 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.485 -9.478 7.539 1.00 0.39 C ATOM 1158 C LEU A 91 -4.027 -10.550 6.557 1.00 0.43 C ATOM 1159 O LEU A 91 -4.430 -11.710 6.640 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.309 -8.420 6.807 1.00 0.36 C ATOM 1161 CG LEU A 91 -5.683 -7.186 7.632 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.429 -6.187 6.773 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -6.518 -7.561 8.847 1.00 0.45 C ATOM 0 H LEU A 91 -2.901 -8.115 7.608 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.106 -9.934 8.310 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -4.751 -8.093 5.930 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.226 -8.885 6.446 1.00 0.36 H new ATOM 0 HG LEU A 91 -4.759 -6.731 7.988 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -6.689 -5.314 7.372 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -5.797 -5.880 5.940 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.339 -6.647 6.388 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -6.766 -6.661 9.410 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.436 -8.049 8.521 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -5.951 -8.242 9.482 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.169 -10.139 5.637 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.529 -11.040 4.708 1.00 0.53 C ATOM 1177 C ASP A 92 -1.039 -10.933 4.929 1.00 0.56 C ATOM 1178 O ASP A 92 -0.383 -10.036 4.397 1.00 0.82 O ATOM 1179 CB ASP A 92 -2.880 -10.711 3.253 1.00 0.66 C ATOM 1180 CG ASP A 92 -2.418 -11.788 2.288 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -2.132 -12.923 2.737 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -2.359 -11.519 1.070 1.00 2.34 O ATOM 0 H ASP A 92 -2.899 -9.163 5.518 1.00 0.46 H new ATOM 0 HA ASP A 92 -2.880 -12.056 4.886 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -3.959 -10.584 3.162 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -2.423 -9.760 2.978 1.00 0.66 H new ATOM 1187 N LYS A 93 -0.530 -11.825 5.765 1.00 0.48 N ATOM 1188 CA LYS A 93 0.851 -11.767 6.221 1.00 0.50 C ATOM 1189 C LYS A 93 1.813 -11.664 5.061 1.00 0.55 C ATOM 1190 O LYS A 93 2.810 -10.957 5.157 1.00 0.64 O ATOM 1191 CB LYS A 93 1.155 -12.977 7.098 1.00 0.55 C ATOM 1192 CG LYS A 93 2.578 -13.029 7.629 1.00 0.73 C ATOM 1193 CD LYS A 93 2.946 -11.773 8.403 1.00 1.22 C ATOM 1194 CE LYS A 93 4.397 -11.801 8.861 1.00 1.76 C ATOM 1195 NZ LYS A 93 4.660 -12.890 9.842 1.00 2.61 N ATOM 0 H LYS A 93 -1.061 -12.608 6.146 1.00 0.48 H new ATOM 0 HA LYS A 93 0.984 -10.865 6.818 1.00 0.50 H new ATOM 0 HB2 LYS A 93 0.465 -12.980 7.942 1.00 0.55 H new ATOM 0 HB3 LYS A 93 0.961 -13.883 6.524 1.00 0.55 H new ATOM 0 HG2 LYS A 93 2.692 -13.899 8.276 1.00 0.73 H new ATOM 0 HG3 LYS A 93 3.270 -13.158 6.797 1.00 0.73 H new ATOM 0 HD2 LYS A 93 2.779 -10.897 7.776 1.00 1.22 H new ATOM 0 HD3 LYS A 93 2.292 -11.675 9.270 1.00 1.22 H new ATOM 0 HE2 LYS A 93 5.046 -11.931 7.995 1.00 1.76 H new ATOM 0 HE3 LYS A 93 4.652 -10.841 9.310 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 5.627 -12.796 10.214 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 3.980 -12.823 10.626 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 4.557 -13.812 9.373 1.00 2.61 H new ATOM 1209 N LYS A 94 1.525 -12.338 3.959 1.00 0.55 N ATOM 1210 CA LYS A 94 2.274 -12.074 2.755 1.00 0.61 C ATOM 1211 C LYS A 94 1.366 -11.506 1.672 1.00 0.60 C ATOM 1212 O LYS A 94 0.604 -12.219 1.023 1.00 0.69 O ATOM 1213 CB LYS A 94 3.024 -13.322 2.262 1.00 0.76 C ATOM 1214 CG LYS A 94 2.149 -14.535 2.014 1.00 0.96 C ATOM 1215 CD LYS A 94 2.942 -15.679 1.398 1.00 1.17 C ATOM 1216 CE LYS A 94 3.459 -15.313 0.014 1.00 1.41 C ATOM 1217 NZ LYS A 94 4.241 -16.418 -0.603 1.00 2.11 N ATOM 0 H LYS A 94 0.799 -13.050 3.878 1.00 0.55 H new ATOM 0 HA LYS A 94 3.030 -11.325 2.992 1.00 0.61 H new ATOM 0 HB2 LYS A 94 3.546 -13.073 1.338 1.00 0.76 H new ATOM 0 HB3 LYS A 94 3.785 -13.585 2.997 1.00 0.76 H new ATOM 0 HG2 LYS A 94 1.706 -14.863 2.954 1.00 0.96 H new ATOM 0 HG3 LYS A 94 1.327 -14.263 1.352 1.00 0.96 H new ATOM 0 HD2 LYS A 94 3.781 -15.933 2.046 1.00 1.17 H new ATOM 0 HD3 LYS A 94 2.312 -16.566 1.330 1.00 1.17 H new ATOM 0 HE2 LYS A 94 2.618 -15.061 -0.632 1.00 1.41 H new ATOM 0 HE3 LYS A 94 4.084 -14.423 0.085 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 4.573 -16.125 -1.544 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 5.059 -16.642 -0.001 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 3.638 -17.260 -0.696 1.00 2.11 H new ATOM 1231 N TYR A 95 1.471 -10.204 1.501 1.00 0.53 N ATOM 1232 CA TYR A 95 0.876 -9.500 0.383 1.00 0.58 C ATOM 1233 C TYR A 95 1.933 -8.555 -0.158 1.00 0.55 C ATOM 1234 O TYR A 95 2.327 -7.606 0.517 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.394 -8.735 0.809 1.00 0.63 C ATOM 1236 CG TYR A 95 -1.014 -7.894 -0.295 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -0.952 -8.294 -1.624 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.646 -6.686 -0.010 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -1.495 -7.525 -2.629 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -2.191 -5.909 -1.014 1.00 1.12 C ATOM 1241 CZ TYR A 95 -2.113 -6.335 -2.321 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.646 -5.566 -3.331 1.00 1.46 O ATOM 0 H TYR A 95 1.979 -9.596 2.144 1.00 0.53 H new ATOM 0 HA TYR A 95 0.560 -10.204 -0.386 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -1.135 -9.452 1.164 1.00 0.63 H new ATOM 0 HB3 TYR A 95 -0.149 -8.087 1.650 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -0.468 -9.227 -1.874 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -1.711 -6.351 1.015 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -1.436 -7.855 -3.656 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.675 -4.974 -0.775 1.00 1.12 H new ATOM 0 HH TYR A 95 -3.034 -4.750 -2.951 1.00 1.46 H new ATOM 1252 N ILE A 96 2.411 -8.836 -1.360 1.00 0.56 N ATOM 1253 CA ILE A 96 3.588 -8.165 -1.898 1.00 0.55 C ATOM 1254 C ILE A 96 3.381 -6.664 -2.023 1.00 0.49 C ATOM 1255 O ILE A 96 4.211 -5.877 -1.567 1.00 0.45 O ATOM 1256 CB ILE A 96 3.986 -8.758 -3.263 1.00 0.64 C ATOM 1257 CG1 ILE A 96 4.214 -10.264 -3.135 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.231 -8.077 -3.802 1.00 0.59 C ATOM 1259 CD1 ILE A 96 5.169 -10.634 -2.022 1.00 0.83 C ATOM 0 H ILE A 96 2.000 -9.528 -1.986 1.00 0.56 H new ATOM 0 HA ILE A 96 4.399 -8.333 -1.189 1.00 0.55 H new ATOM 0 HB ILE A 96 3.172 -8.584 -3.967 1.00 0.64 H new ATOM 0 HG12 ILE A 96 3.257 -10.755 -2.961 1.00 0.87 H new ATOM 0 HG13 ILE A 96 4.602 -10.647 -4.079 1.00 0.87 H new ATOM 0 HG21 ILE A 96 5.494 -8.511 -4.767 1.00 0.59 H new ATOM 0 HG22 ILE A 96 5.039 -7.011 -3.924 1.00 0.59 H new ATOM 0 HG23 ILE A 96 6.055 -8.219 -3.103 1.00 0.59 H new ATOM 0 HD11 ILE A 96 5.285 -11.717 -1.987 1.00 0.83 H new ATOM 0 HD12 ILE A 96 6.138 -10.171 -2.205 1.00 0.83 H new ATOM 0 HD13 ILE A 96 4.772 -10.281 -1.070 1.00 0.83 H new ATOM 1271 N LYS A 97 2.273 -6.273 -2.629 1.00 0.54 N ATOM 1272 CA LYS A 97 1.939 -4.864 -2.770 1.00 0.55 C ATOM 1273 C LYS A 97 1.763 -4.229 -1.387 1.00 0.50 C ATOM 1274 O LYS A 97 1.996 -3.036 -1.204 1.00 0.51 O ATOM 1275 CB LYS A 97 0.662 -4.717 -3.594 1.00 0.71 C ATOM 1276 CG LYS A 97 0.551 -3.404 -4.350 1.00 1.28 C ATOM 1277 CD LYS A 97 -0.796 -3.292 -5.048 1.00 1.65 C ATOM 1278 CE LYS A 97 -1.057 -4.469 -5.975 1.00 1.73 C ATOM 1279 NZ LYS A 97 -2.493 -4.853 -5.983 1.00 1.59 N ATOM 0 H LYS A 97 1.588 -6.912 -3.032 1.00 0.54 H new ATOM 0 HA LYS A 97 2.750 -4.350 -3.287 1.00 0.55 H new ATOM 0 HB2 LYS A 97 0.608 -5.539 -4.308 1.00 0.71 H new ATOM 0 HB3 LYS A 97 -0.197 -4.814 -2.930 1.00 0.71 H new ATOM 0 HG2 LYS A 97 0.678 -2.570 -3.659 1.00 1.28 H new ATOM 0 HG3 LYS A 97 1.353 -3.334 -5.085 1.00 1.28 H new ATOM 0 HD2 LYS A 97 -1.588 -3.236 -4.301 1.00 1.65 H new ATOM 0 HD3 LYS A 97 -0.832 -2.365 -5.620 1.00 1.65 H new ATOM 0 HE2 LYS A 97 -0.743 -4.212 -6.987 1.00 1.73 H new ATOM 0 HE3 LYS A 97 -0.454 -5.321 -5.661 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -2.639 -5.636 -6.651 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -2.777 -5.154 -5.029 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -3.069 -4.037 -6.274 1.00 1.59 H new ATOM 1293 N GLY A 98 1.391 -5.057 -0.412 1.00 0.51 N ATOM 1294 CA GLY A 98 1.211 -4.588 0.950 1.00 0.52 C ATOM 1295 C GLY A 98 2.538 -4.335 1.633 1.00 0.43 C ATOM 1296 O GLY A 98 2.734 -3.286 2.249 1.00 0.48 O ATOM 0 H GLY A 98 1.210 -6.052 -0.545 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.623 -3.670 0.944 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.644 -5.326 1.517 1.00 0.52 H new ATOM 1300 N TYR A 99 3.452 -5.301 1.522 1.00 0.35 N ATOM 1301 CA TYR A 99 4.825 -5.120 1.990 1.00 0.29 C ATOM 1302 C TYR A 99 5.417 -3.857 1.371 1.00 0.31 C ATOM 1303 O TYR A 99 6.062 -3.054 2.039 1.00 0.32 O ATOM 1304 CB TYR A 99 5.729 -6.285 1.570 1.00 0.30 C ATOM 1305 CG TYR A 99 5.475 -7.635 2.211 1.00 0.38 C ATOM 1306 CD1 TYR A 99 5.368 -7.793 3.591 1.00 0.64 C ATOM 1307 CD2 TYR A 99 5.398 -8.774 1.417 1.00 0.98 C ATOM 1308 CE1 TYR A 99 5.191 -9.042 4.150 1.00 0.71 C ATOM 1309 CE2 TYR A 99 5.233 -10.026 1.972 1.00 1.11 C ATOM 1310 CZ TYR A 99 5.130 -10.153 3.337 1.00 0.72 C ATOM 1311 OH TYR A 99 4.981 -11.400 3.896 1.00 0.92 O ATOM 0 H TYR A 99 3.265 -6.216 1.112 1.00 0.35 H new ATOM 0 HA TYR A 99 4.783 -5.059 3.077 1.00 0.29 H new ATOM 0 HB2 TYR A 99 5.644 -6.404 0.490 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.761 -6.002 1.779 1.00 0.30 H new ATOM 0 HD1 TYR A 99 5.424 -6.926 4.232 1.00 0.64 H new ATOM 0 HD2 TYR A 99 5.469 -8.676 0.344 1.00 0.98 H new ATOM 0 HE1 TYR A 99 5.101 -9.149 5.221 1.00 0.71 H new ATOM 0 HE2 TYR A 99 5.185 -10.900 1.339 1.00 1.11 H new ATOM 0 HH TYR A 99 4.424 -11.334 4.700 1.00 0.92 H new ATOM 1321 N TYR A 100 5.160 -3.697 0.077 1.00 0.34 N ATOM 1322 CA TYR A 100 5.739 -2.628 -0.725 1.00 0.37 C ATOM 1323 C TYR A 100 5.210 -1.284 -0.246 1.00 0.39 C ATOM 1324 O TYR A 100 5.945 -0.301 -0.153 1.00 0.42 O ATOM 1325 CB TYR A 100 5.367 -2.865 -2.195 1.00 0.42 C ATOM 1326 CG TYR A 100 6.091 -1.998 -3.202 1.00 0.43 C ATOM 1327 CD1 TYR A 100 5.619 -0.732 -3.527 1.00 0.51 C ATOM 1328 CD2 TYR A 100 7.228 -2.463 -3.856 1.00 0.46 C ATOM 1329 CE1 TYR A 100 6.259 0.045 -4.471 1.00 0.60 C ATOM 1330 CE2 TYR A 100 7.868 -1.693 -4.808 1.00 0.55 C ATOM 1331 CZ TYR A 100 7.380 -0.441 -5.108 1.00 0.60 C ATOM 1332 OH TYR A 100 8.000 0.315 -6.070 1.00 0.73 O ATOM 0 H TYR A 100 4.538 -4.312 -0.448 1.00 0.34 H new ATOM 0 HA TYR A 100 6.824 -2.622 -0.623 1.00 0.37 H new ATOM 0 HB2 TYR A 100 5.562 -3.910 -2.436 1.00 0.42 H new ATOM 0 HB3 TYR A 100 4.295 -2.706 -2.310 1.00 0.42 H new ATOM 0 HD1 TYR A 100 4.738 -0.350 -3.033 1.00 0.51 H new ATOM 0 HD2 TYR A 100 7.616 -3.442 -3.615 1.00 0.46 H new ATOM 0 HE1 TYR A 100 5.883 1.029 -4.709 1.00 0.60 H new ATOM 0 HE2 TYR A 100 8.745 -2.070 -5.313 1.00 0.55 H new ATOM 0 HH TYR A 100 7.798 -0.053 -6.956 1.00 0.73 H new ATOM 1342 N ARG A 101 3.925 -1.271 0.072 1.00 0.41 N ATOM 1343 CA ARG A 101 3.263 -0.092 0.600 1.00 0.46 C ATOM 1344 C ARG A 101 3.831 0.260 1.976 1.00 0.43 C ATOM 1345 O ARG A 101 4.081 1.431 2.287 1.00 0.46 O ATOM 1346 CB ARG A 101 1.766 -0.371 0.705 1.00 0.53 C ATOM 1347 CG ARG A 101 0.909 0.875 0.691 1.00 0.82 C ATOM 1348 CD ARG A 101 0.916 1.545 -0.674 1.00 1.06 C ATOM 1349 NE ARG A 101 0.274 0.712 -1.690 1.00 1.18 N ATOM 1350 CZ ARG A 101 0.631 0.681 -2.973 1.00 1.58 C ATOM 1351 NH1 ARG A 101 1.637 1.427 -3.411 1.00 2.34 N ATOM 1352 NH2 ARG A 101 -0.020 -0.103 -3.814 1.00 1.89 N ATOM 0 H ARG A 101 3.312 -2.080 -0.030 1.00 0.41 H new ATOM 0 HA ARG A 101 3.432 0.753 -0.068 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.467 -1.015 -0.122 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.573 -0.923 1.625 1.00 0.53 H new ATOM 0 HG2 ARG A 101 -0.114 0.617 0.965 1.00 0.82 H new ATOM 0 HG3 ARG A 101 1.273 1.576 1.443 1.00 0.82 H new ATOM 0 HD2 ARG A 101 0.401 2.504 -0.611 1.00 1.06 H new ATOM 0 HD3 ARG A 101 1.944 1.754 -0.971 1.00 1.06 H new ATOM 0 HE ARG A 101 -0.499 0.115 -1.397 1.00 1.18 H new ATOM 0 HH11 ARG A 101 2.144 2.031 -2.764 1.00 2.34 H new ATOM 0 HH12 ARG A 101 1.903 1.397 -4.395 1.00 2.34 H new ATOM 0 HH21 ARG A 101 -0.792 -0.680 -3.480 1.00 1.89 H new ATOM 0 HH22 ARG A 101 0.249 -0.131 -4.798 1.00 1.89 H new ATOM 1366 N ARG A 102 4.045 -0.772 2.786 1.00 0.41 N ATOM 1367 CA ARG A 102 4.616 -0.613 4.120 1.00 0.43 C ATOM 1368 C ARG A 102 6.035 -0.061 4.017 1.00 0.37 C ATOM 1369 O ARG A 102 6.401 0.894 4.710 1.00 0.38 O ATOM 1370 CB ARG A 102 4.610 -1.965 4.847 1.00 0.52 C ATOM 1371 CG ARG A 102 4.873 -1.868 6.341 1.00 0.87 C ATOM 1372 CD ARG A 102 4.629 -3.199 7.042 1.00 1.12 C ATOM 1373 NE ARG A 102 5.662 -4.188 6.756 1.00 1.87 N ATOM 1374 CZ ARG A 102 5.816 -5.330 7.429 1.00 2.58 C ATOM 1375 NH1 ARG A 102 5.028 -5.613 8.467 1.00 2.78 N ATOM 1376 NH2 ARG A 102 6.762 -6.182 7.067 1.00 3.57 N ATOM 0 H ARG A 102 3.829 -1.738 2.538 1.00 0.41 H new ATOM 0 HA ARG A 102 4.014 0.094 4.691 1.00 0.43 H new ATOM 0 HB2 ARG A 102 3.644 -2.446 4.689 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.365 -2.610 4.397 1.00 0.52 H new ATOM 0 HG2 ARG A 102 5.902 -1.551 6.510 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.228 -1.104 6.775 1.00 0.87 H new ATOM 0 HD2 ARG A 102 4.579 -3.033 8.118 1.00 1.12 H new ATOM 0 HD3 ARG A 102 3.660 -3.593 6.735 1.00 1.12 H new ATOM 0 HE ARG A 102 6.309 -3.994 5.992 1.00 1.87 H new ATOM 0 HH11 ARG A 102 4.302 -4.955 8.751 1.00 2.78 H new ATOM 0 HH12 ARG A 102 5.151 -6.488 8.977 1.00 2.78 H new ATOM 0 HH21 ARG A 102 7.369 -5.964 6.277 1.00 3.57 H new ATOM 0 HH22 ARG A 102 6.884 -7.056 7.578 1.00 3.57 H new ATOM 1390 N ALA A 103 6.816 -0.652 3.119 1.00 0.34 N ATOM 1391 CA ALA A 103 8.172 -0.198 2.842 1.00 0.32 C ATOM 1392 C ALA A 103 8.187 1.271 2.440 1.00 0.33 C ATOM 1393 O ALA A 103 9.043 2.039 2.876 1.00 0.35 O ATOM 1394 CB ALA A 103 8.785 -1.030 1.731 1.00 0.33 C ATOM 0 H ALA A 103 6.527 -1.458 2.564 1.00 0.34 H new ATOM 0 HA ALA A 103 8.757 -0.316 3.754 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.799 -0.682 1.532 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.814 -2.077 2.034 1.00 0.33 H new ATOM 0 HB3 ALA A 103 8.184 -0.930 0.827 1.00 0.33 H new ATOM 1400 N ALA A 104 7.212 1.659 1.626 1.00 0.33 N ATOM 1401 CA ALA A 104 7.147 3.011 1.097 1.00 0.35 C ATOM 1402 C ALA A 104 6.939 4.007 2.220 1.00 0.35 C ATOM 1403 O ALA A 104 7.436 5.130 2.174 1.00 0.38 O ATOM 1404 CB ALA A 104 6.034 3.129 0.065 1.00 0.39 C ATOM 0 H ALA A 104 6.453 1.051 1.318 1.00 0.33 H new ATOM 0 HA ALA A 104 8.094 3.236 0.606 1.00 0.35 H new ATOM 0 HB1 ALA A 104 6.001 4.148 -0.320 1.00 0.39 H new ATOM 0 HB2 ALA A 104 6.224 2.437 -0.756 1.00 0.39 H new ATOM 0 HB3 ALA A 104 5.079 2.886 0.531 1.00 0.39 H new ATOM 1410 N SER A 105 6.218 3.578 3.243 1.00 0.34 N ATOM 1411 CA SER A 105 5.953 4.430 4.384 1.00 0.36 C ATOM 1412 C SER A 105 7.226 4.633 5.214 1.00 0.34 C ATOM 1413 O SER A 105 7.491 5.730 5.696 1.00 0.33 O ATOM 1414 CB SER A 105 4.841 3.832 5.239 1.00 0.40 C ATOM 1415 OG SER A 105 3.734 3.441 4.440 1.00 0.64 O ATOM 0 H SER A 105 5.808 2.646 3.304 1.00 0.34 H new ATOM 0 HA SER A 105 5.626 5.405 4.023 1.00 0.36 H new ATOM 0 HB2 SER A 105 5.222 2.969 5.785 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.517 4.561 5.982 1.00 0.40 H new ATOM 0 HG SER A 105 3.983 2.667 3.893 1.00 0.64 H new ATOM 1421 N ASN A 106 8.030 3.582 5.347 1.00 0.36 N ATOM 1422 CA ASN A 106 9.280 3.668 6.101 1.00 0.37 C ATOM 1423 C ASN A 106 10.291 4.520 5.356 1.00 0.36 C ATOM 1424 O ASN A 106 11.015 5.317 5.958 1.00 0.37 O ATOM 1425 CB ASN A 106 9.867 2.279 6.356 1.00 0.40 C ATOM 1426 CG ASN A 106 9.160 1.531 7.472 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.663 2.264 8.457 1.00 1.09 O flip ATOM 1428 ND2 ASN A 106 9.075 0.307 7.458 1.00 1.32 N flip ATOM 0 H ASN A 106 7.841 2.664 4.945 1.00 0.36 H new ATOM 0 HA ASN A 106 9.057 4.132 7.062 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.809 1.692 5.439 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.924 2.377 6.605 1.00 0.40 H new ATOM 0 HD21 ASN A 106 9.471 -0.223 6.681 1.00 1.32 H new ATOM 0 HD22 ASN A 106 8.609 -0.181 8.223 1.00 1.32 H new ATOM 1435 N MET A 107 10.318 4.356 4.042 1.00 0.38 N ATOM 1436 CA MET A 107 11.229 5.103 3.192 1.00 0.40 C ATOM 1437 C MET A 107 10.847 6.581 3.182 1.00 0.40 C ATOM 1438 O MET A 107 11.710 7.456 3.159 1.00 0.45 O ATOM 1439 CB MET A 107 11.205 4.531 1.774 1.00 0.46 C ATOM 1440 CG MET A 107 12.459 4.833 0.978 1.00 0.44 C ATOM 1441 SD MET A 107 12.491 3.998 -0.615 1.00 1.26 S ATOM 1442 CE MET A 107 14.126 4.452 -1.182 1.00 0.70 C ATOM 0 H MET A 107 9.714 3.706 3.539 1.00 0.38 H new ATOM 0 HA MET A 107 12.241 5.012 3.587 1.00 0.40 H new ATOM 0 HB2 MET A 107 11.071 3.451 1.829 1.00 0.46 H new ATOM 0 HB3 MET A 107 10.342 4.933 1.243 1.00 0.46 H new ATOM 0 HG2 MET A 107 12.534 5.909 0.821 1.00 0.44 H new ATOM 0 HG3 MET A 107 13.333 4.534 1.557 1.00 0.44 H new ATOM 0 HE1 MET A 107 14.334 3.955 -2.130 1.00 0.70 H new ATOM 0 HE2 MET A 107 14.176 5.532 -1.320 1.00 0.70 H new ATOM 0 HE3 MET A 107 14.866 4.146 -0.442 1.00 0.70 H new ATOM 1452 N ALA A 108 9.543 6.843 3.209 1.00 0.36 N ATOM 1453 CA ALA A 108 9.028 8.208 3.260 1.00 0.38 C ATOM 1454 C ALA A 108 9.283 8.850 4.624 1.00 0.39 C ATOM 1455 O ALA A 108 9.500 10.061 4.719 1.00 0.43 O ATOM 1456 CB ALA A 108 7.540 8.225 2.938 1.00 0.38 C ATOM 0 H ALA A 108 8.820 6.123 3.196 1.00 0.36 H new ATOM 0 HA ALA A 108 9.560 8.793 2.510 1.00 0.38 H new ATOM 0 HB1 ALA A 108 7.170 9.250 2.980 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.379 7.822 1.938 1.00 0.38 H new ATOM 0 HB3 ALA A 108 7.003 7.616 3.665 1.00 0.38 H new ATOM 1462 N LEU A 109 9.242 8.044 5.678 1.00 0.38 N ATOM 1463 CA LEU A 109 9.524 8.528 7.022 1.00 0.40 C ATOM 1464 C LEU A 109 11.005 8.861 7.174 1.00 0.43 C ATOM 1465 O LEU A 109 11.366 9.858 7.800 1.00 0.65 O ATOM 1466 CB LEU A 109 9.104 7.491 8.066 1.00 0.38 C ATOM 1467 CG LEU A 109 7.777 7.770 8.786 1.00 0.48 C ATOM 1468 CD1 LEU A 109 6.613 7.717 7.819 1.00 0.75 C ATOM 1469 CD2 LEU A 109 7.570 6.774 9.916 1.00 0.82 C ATOM 0 H LEU A 109 9.016 7.051 5.627 1.00 0.38 H new ATOM 0 HA LEU A 109 8.946 9.438 7.184 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.034 6.519 7.578 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.893 7.416 8.814 1.00 0.38 H new ATOM 0 HG LEU A 109 7.824 8.775 9.206 1.00 0.48 H new ATOM 0 HD11 LEU A 109 5.685 7.918 8.355 1.00 0.75 H new ATOM 0 HD12 LEU A 109 6.752 8.467 7.041 1.00 0.75 H new ATOM 0 HD13 LEU A 109 6.562 6.728 7.365 1.00 0.75 H new ATOM 0 HD21 LEU A 109 6.625 6.984 10.418 1.00 0.82 H new ATOM 0 HD22 LEU A 109 7.548 5.763 9.510 1.00 0.82 H new ATOM 0 HD23 LEU A 109 8.388 6.860 10.632 1.00 0.82 H new ATOM 1481 N GLY A 110 11.858 8.030 6.591 1.00 0.39 N ATOM 1482 CA GLY A 110 13.284 8.272 6.656 1.00 0.41 C ATOM 1483 C GLY A 110 14.056 7.053 7.113 1.00 0.39 C ATOM 1484 O GLY A 110 15.281 7.016 7.014 1.00 0.47 O ATOM 0 H GLY A 110 11.587 7.193 6.075 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.643 8.579 5.674 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.479 9.099 7.339 1.00 0.41 H new ATOM 1488 N LYS A 111 13.345 6.051 7.615 1.00 0.36 N ATOM 1489 CA LYS A 111 13.987 4.828 8.074 1.00 0.38 C ATOM 1490 C LYS A 111 14.145 3.840 6.925 1.00 0.30 C ATOM 1491 O LYS A 111 13.337 2.925 6.742 1.00 0.32 O ATOM 1492 CB LYS A 111 13.227 4.212 9.255 1.00 0.53 C ATOM 1493 CG LYS A 111 11.720 4.172 9.080 1.00 0.74 C ATOM 1494 CD LYS A 111 11.014 3.691 10.342 1.00 0.54 C ATOM 1495 CE LYS A 111 10.976 4.761 11.433 1.00 1.22 C ATOM 1496 NZ LYS A 111 12.309 5.014 12.051 1.00 1.73 N ATOM 0 H LYS A 111 12.330 6.061 7.714 1.00 0.36 H new ATOM 0 HA LYS A 111 14.985 5.080 8.433 1.00 0.38 H new ATOM 0 HB2 LYS A 111 13.589 3.196 9.414 1.00 0.53 H new ATOM 0 HB3 LYS A 111 13.461 4.778 10.157 1.00 0.53 H new ATOM 0 HG2 LYS A 111 11.358 5.166 8.818 1.00 0.74 H new ATOM 0 HG3 LYS A 111 11.468 3.513 8.249 1.00 0.74 H new ATOM 0 HD2 LYS A 111 9.995 3.393 10.094 1.00 0.54 H new ATOM 0 HD3 LYS A 111 11.521 2.805 10.724 1.00 0.54 H new ATOM 0 HE2 LYS A 111 10.597 5.691 11.009 1.00 1.22 H new ATOM 0 HE3 LYS A 111 10.275 4.455 12.209 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 12.195 5.163 13.074 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 12.929 4.195 11.887 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 12.735 5.861 11.624 1.00 1.73 H new ATOM 1510 N PHE A 112 15.197 4.055 6.141 1.00 0.30 N ATOM 1511 CA PHE A 112 15.438 3.284 4.931 1.00 0.29 C ATOM 1512 C PHE A 112 15.640 1.800 5.215 1.00 0.30 C ATOM 1513 O PHE A 112 15.097 0.969 4.509 1.00 0.34 O ATOM 1514 CB PHE A 112 16.646 3.838 4.179 1.00 0.35 C ATOM 1515 CG PHE A 112 16.494 5.282 3.806 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.602 5.666 2.819 1.00 0.41 C ATOM 1517 CD2 PHE A 112 17.229 6.258 4.455 1.00 0.48 C ATOM 1518 CE1 PHE A 112 15.449 6.996 2.484 1.00 0.48 C ATOM 1519 CE2 PHE A 112 17.079 7.589 4.127 1.00 0.54 C ATOM 1520 CZ PHE A 112 16.188 7.958 3.141 1.00 0.53 C ATOM 0 H PHE A 112 15.903 4.767 6.328 1.00 0.30 H new ATOM 0 HA PHE A 112 14.546 3.379 4.312 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.536 3.720 4.797 1.00 0.35 H new ATOM 0 HB3 PHE A 112 16.805 3.250 3.275 1.00 0.35 H new ATOM 0 HD1 PHE A 112 15.019 4.916 2.305 1.00 0.41 H new ATOM 0 HD2 PHE A 112 17.928 5.974 5.227 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.753 7.283 1.710 1.00 0.48 H new ATOM 0 HE2 PHE A 112 17.658 8.341 4.641 1.00 0.54 H new ATOM 0 HZ PHE A 112 16.069 9.000 2.883 1.00 0.53 H new ATOM 1530 N ARG A 113 16.410 1.461 6.242 1.00 0.34 N ATOM 1531 CA ARG A 113 16.717 0.055 6.510 1.00 0.38 C ATOM 1532 C ARG A 113 15.444 -0.753 6.781 1.00 0.34 C ATOM 1533 O ARG A 113 15.362 -1.931 6.433 1.00 0.34 O ATOM 1534 CB ARG A 113 17.689 -0.086 7.681 1.00 0.49 C ATOM 1535 CG ARG A 113 18.415 -1.425 7.704 1.00 1.21 C ATOM 1536 CD ARG A 113 19.431 -1.503 6.573 1.00 1.58 C ATOM 1537 NE ARG A 113 20.039 -2.828 6.439 1.00 2.42 N ATOM 1538 CZ ARG A 113 21.334 -3.079 6.636 1.00 3.14 C ATOM 1539 NH1 ARG A 113 22.127 -2.160 7.177 1.00 3.25 N ATOM 1540 NH2 ARG A 113 21.830 -4.270 6.330 1.00 4.15 N ATOM 0 H ARG A 113 16.828 2.124 6.894 1.00 0.34 H new ATOM 0 HA ARG A 113 17.193 -0.346 5.615 1.00 0.38 H new ATOM 0 HB2 ARG A 113 18.424 0.717 7.633 1.00 0.49 H new ATOM 0 HB3 ARG A 113 17.142 0.039 8.615 1.00 0.49 H new ATOM 0 HG2 ARG A 113 18.918 -1.555 8.662 1.00 1.21 H new ATOM 0 HG3 ARG A 113 17.694 -2.237 7.609 1.00 1.21 H new ATOM 0 HD2 ARG A 113 18.943 -1.237 5.635 1.00 1.58 H new ATOM 0 HD3 ARG A 113 20.215 -0.766 6.745 1.00 1.58 H new ATOM 0 HE ARG A 113 19.435 -3.608 6.179 1.00 2.42 H new ATOM 0 HH11 ARG A 113 21.747 -1.253 7.446 1.00 3.25 H new ATOM 0 HH12 ARG A 113 23.116 -2.362 7.323 1.00 3.25 H new ATOM 0 HH21 ARG A 113 21.221 -4.992 5.945 1.00 4.15 H new ATOM 0 HH22 ARG A 113 22.820 -4.464 6.480 1.00 4.15 H new ATOM 1554 N ALA A 114 14.448 -0.112 7.383 1.00 0.34 N ATOM 1555 CA ALA A 114 13.168 -0.762 7.627 1.00 0.34 C ATOM 1556 C ALA A 114 12.420 -0.955 6.311 1.00 0.28 C ATOM 1557 O ALA A 114 11.869 -2.027 6.039 1.00 0.30 O ATOM 1558 CB ALA A 114 12.337 0.055 8.604 1.00 0.40 C ATOM 0 H ALA A 114 14.503 0.853 7.709 1.00 0.34 H new ATOM 0 HA ALA A 114 13.348 -1.742 8.070 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.383 -0.444 8.776 1.00 0.40 H new ATOM 0 HB2 ALA A 114 12.873 0.149 9.548 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.158 1.047 8.189 1.00 0.40 H new ATOM 1564 N ALA A 115 12.447 0.083 5.480 1.00 0.26 N ATOM 1565 CA ALA A 115 11.850 0.023 4.155 1.00 0.23 C ATOM 1566 C ALA A 115 12.536 -1.054 3.336 1.00 0.23 C ATOM 1567 O ALA A 115 11.903 -1.777 2.568 1.00 0.25 O ATOM 1568 CB ALA A 115 11.976 1.367 3.459 1.00 0.23 C ATOM 0 H ALA A 115 12.879 0.979 5.705 1.00 0.26 H new ATOM 0 HA ALA A 115 10.792 -0.219 4.253 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.525 1.307 2.468 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.464 2.130 4.046 1.00 0.23 H new ATOM 0 HB3 ALA A 115 13.030 1.630 3.363 1.00 0.23 H new ATOM 1574 N LEU A 116 13.841 -1.153 3.527 1.00 0.24 N ATOM 1575 CA LEU A 116 14.647 -2.139 2.849 1.00 0.28 C ATOM 1576 C LEU A 116 14.228 -3.544 3.246 1.00 0.29 C ATOM 1577 O LEU A 116 14.301 -4.451 2.440 1.00 0.30 O ATOM 1578 CB LEU A 116 16.128 -1.937 3.155 1.00 0.32 C ATOM 1579 CG LEU A 116 17.058 -2.835 2.345 1.00 0.40 C ATOM 1580 CD1 LEU A 116 16.878 -2.565 0.864 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.504 -2.632 2.754 1.00 0.49 C ATOM 0 H LEU A 116 14.367 -0.548 4.158 1.00 0.24 H new ATOM 0 HA LEU A 116 14.490 -2.013 1.778 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.389 -0.896 2.965 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.297 -2.119 4.216 1.00 0.32 H new ATOM 0 HG LEU A 116 16.798 -3.874 2.548 1.00 0.40 H new ATOM 0 HD11 LEU A 116 17.546 -3.210 0.293 1.00 0.47 H new ATOM 0 HD12 LEU A 116 15.846 -2.769 0.580 1.00 0.47 H new ATOM 0 HD13 LEU A 116 17.113 -1.522 0.653 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.145 -3.284 2.161 1.00 0.49 H new ATOM 0 HD22 LEU A 116 18.788 -1.593 2.585 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.620 -2.872 3.811 1.00 0.49 H new ATOM 1593 N ARG A 117 13.785 -3.721 4.485 1.00 0.34 N ATOM 1594 CA ARG A 117 13.326 -5.030 4.935 1.00 0.40 C ATOM 1595 C ARG A 117 12.116 -5.460 4.126 1.00 0.34 C ATOM 1596 O ARG A 117 12.021 -6.606 3.679 1.00 0.35 O ATOM 1597 CB ARG A 117 12.954 -5.016 6.415 1.00 0.57 C ATOM 1598 CG ARG A 117 14.120 -4.786 7.356 1.00 0.70 C ATOM 1599 CD ARG A 117 13.644 -4.729 8.800 1.00 1.01 C ATOM 1600 NE ARG A 117 14.732 -4.460 9.738 1.00 1.90 N ATOM 1601 CZ ARG A 117 14.593 -3.721 10.838 1.00 2.55 C ATOM 1602 NH1 ARG A 117 13.414 -3.195 11.141 1.00 2.45 N ATOM 1603 NH2 ARG A 117 15.633 -3.508 11.635 1.00 3.56 N ATOM 0 H ARG A 117 13.734 -2.985 5.189 1.00 0.34 H new ATOM 0 HA ARG A 117 14.146 -5.734 4.790 1.00 0.40 H new ATOM 0 HB2 ARG A 117 12.210 -4.237 6.582 1.00 0.57 H new ATOM 0 HB3 ARG A 117 12.483 -5.966 6.667 1.00 0.57 H new ATOM 0 HG2 ARG A 117 14.850 -5.587 7.240 1.00 0.70 H new ATOM 0 HG3 ARG A 117 14.624 -3.855 7.097 1.00 0.70 H new ATOM 0 HD2 ARG A 117 12.884 -3.954 8.898 1.00 1.01 H new ATOM 0 HD3 ARG A 117 13.170 -5.675 9.060 1.00 1.01 H new ATOM 0 HE ARG A 117 15.649 -4.860 9.540 1.00 1.90 H new ATOM 0 HH11 ARG A 117 12.612 -3.356 10.532 1.00 2.45 H new ATOM 0 HH12 ARG A 117 13.309 -2.630 11.983 1.00 2.45 H new ATOM 0 HH21 ARG A 117 16.542 -3.910 11.406 1.00 3.56 H new ATOM 0 HH22 ARG A 117 15.523 -2.942 12.476 1.00 3.56 H new ATOM 1617 N ASP A 118 11.197 -4.529 3.929 1.00 0.33 N ATOM 1618 CA ASP A 118 9.993 -4.813 3.170 1.00 0.33 C ATOM 1619 C ASP A 118 10.296 -4.921 1.684 1.00 0.28 C ATOM 1620 O ASP A 118 9.866 -5.870 1.028 1.00 0.31 O ATOM 1621 CB ASP A 118 8.930 -3.757 3.423 1.00 0.40 C ATOM 1622 CG ASP A 118 8.115 -4.049 4.658 1.00 0.63 C ATOM 1623 OD1 ASP A 118 7.742 -5.220 4.861 1.00 0.77 O ATOM 1624 OD2 ASP A 118 7.831 -3.110 5.427 1.00 1.06 O ATOM 0 H ASP A 118 11.262 -3.575 4.283 1.00 0.33 H new ATOM 0 HA ASP A 118 9.607 -5.775 3.508 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.407 -2.782 3.527 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.268 -3.697 2.559 1.00 0.40 H new ATOM 1629 N TYR A 119 11.056 -3.966 1.157 1.00 0.24 N ATOM 1630 CA TYR A 119 11.450 -3.992 -0.248 1.00 0.26 C ATOM 1631 C TYR A 119 12.256 -5.244 -0.561 1.00 0.28 C ATOM 1632 O TYR A 119 12.123 -5.823 -1.639 1.00 0.33 O ATOM 1633 CB TYR A 119 12.255 -2.745 -0.616 1.00 0.28 C ATOM 1634 CG TYR A 119 11.407 -1.503 -0.793 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.193 -1.564 -1.465 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.815 -0.278 -0.281 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.411 -0.437 -1.629 1.00 0.46 C ATOM 1638 CE2 TYR A 119 11.038 0.855 -0.440 1.00 0.47 C ATOM 1639 CZ TYR A 119 9.836 0.768 -1.115 1.00 0.50 C ATOM 1640 OH TYR A 119 9.057 1.893 -1.277 1.00 0.60 O ATOM 0 H TYR A 119 11.411 -3.166 1.680 1.00 0.24 H new ATOM 0 HA TYR A 119 10.539 -4.004 -0.846 1.00 0.26 H new ATOM 0 HB2 TYR A 119 12.997 -2.560 0.161 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.802 -2.936 -1.540 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.855 -2.508 -1.866 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.753 -0.209 0.249 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.471 -0.501 -2.158 1.00 0.46 H new ATOM 0 HE2 TYR A 119 11.369 1.802 -0.039 1.00 0.47 H new ATOM 0 HH TYR A 119 8.155 1.629 -1.554 1.00 0.60 H new ATOM 1650 N GLU A 120 13.080 -5.663 0.393 1.00 0.28 N ATOM 1651 CA GLU A 120 13.856 -6.882 0.256 1.00 0.34 C ATOM 1652 C GLU A 120 12.922 -8.067 0.134 1.00 0.37 C ATOM 1653 O GLU A 120 13.097 -8.919 -0.724 1.00 0.43 O ATOM 1654 CB GLU A 120 14.762 -7.085 1.465 1.00 0.36 C ATOM 1655 CG GLU A 120 15.886 -8.070 1.220 1.00 0.42 C ATOM 1656 CD GLU A 120 16.590 -8.474 2.492 1.00 0.48 C ATOM 1657 OE1 GLU A 120 15.979 -9.192 3.313 1.00 0.61 O ATOM 1658 OE2 GLU A 120 17.758 -8.085 2.680 1.00 0.58 O ATOM 0 H GLU A 120 13.226 -5.170 1.274 1.00 0.28 H new ATOM 0 HA GLU A 120 14.474 -6.798 -0.638 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.188 -6.125 1.755 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.161 -7.434 2.305 1.00 0.36 H new ATOM 0 HG2 GLU A 120 15.486 -8.959 0.733 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.608 -7.628 0.534 1.00 0.42 H new ATOM 1665 N THR A 121 11.926 -8.110 1.000 1.00 0.36 N ATOM 1666 CA THR A 121 10.949 -9.177 0.975 1.00 0.40 C ATOM 1667 C THR A 121 10.209 -9.199 -0.363 1.00 0.40 C ATOM 1668 O THR A 121 10.008 -10.257 -0.956 1.00 0.45 O ATOM 1669 CB THR A 121 9.947 -9.026 2.127 1.00 0.41 C ATOM 1670 OG1 THR A 121 10.653 -8.955 3.374 1.00 0.43 O ATOM 1671 CG2 THR A 121 8.982 -10.200 2.154 1.00 0.47 C ATOM 0 H THR A 121 11.774 -7.415 1.731 1.00 0.36 H new ATOM 0 HA THR A 121 11.480 -10.121 1.098 1.00 0.40 H new ATOM 0 HB THR A 121 9.377 -8.109 1.975 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.060 -8.069 3.469 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.279 -10.075 2.978 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.434 -10.242 1.213 1.00 0.47 H new ATOM 0 HG23 THR A 121 9.540 -11.126 2.291 1.00 0.47 H new ATOM 1679 N VAL A 122 9.841 -8.016 -0.844 1.00 0.37 N ATOM 1680 CA VAL A 122 9.175 -7.880 -2.133 1.00 0.39 C ATOM 1681 C VAL A 122 10.039 -8.448 -3.259 1.00 0.44 C ATOM 1682 O VAL A 122 9.556 -9.204 -4.108 1.00 0.50 O ATOM 1683 CB VAL A 122 8.841 -6.399 -2.431 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.250 -6.238 -3.820 1.00 0.43 C ATOM 1685 CG2 VAL A 122 7.885 -5.847 -1.387 1.00 0.36 C ATOM 0 H VAL A 122 9.994 -7.133 -0.357 1.00 0.37 H new ATOM 0 HA VAL A 122 8.246 -8.447 -2.082 1.00 0.39 H new ATOM 0 HB VAL A 122 9.772 -5.833 -2.390 1.00 0.38 H new ATOM 0 HG11 VAL A 122 8.026 -5.187 -4.000 1.00 0.43 H new ATOM 0 HG12 VAL A 122 8.966 -6.589 -4.563 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.333 -6.823 -3.895 1.00 0.43 H new ATOM 0 HG21 VAL A 122 7.662 -4.804 -1.613 1.00 0.36 H new ATOM 0 HG22 VAL A 122 6.962 -6.426 -1.397 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.345 -5.914 -0.401 1.00 0.36 H new ATOM 1695 N VAL A 123 11.320 -8.103 -3.251 1.00 0.44 N ATOM 1696 CA VAL A 123 12.232 -8.543 -4.299 1.00 0.51 C ATOM 1697 C VAL A 123 12.632 -10.010 -4.106 1.00 0.57 C ATOM 1698 O VAL A 123 13.046 -10.681 -5.049 1.00 0.67 O ATOM 1699 CB VAL A 123 13.491 -7.639 -4.373 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.440 -7.902 -3.218 1.00 0.48 C ATOM 1701 CG2 VAL A 123 14.195 -7.801 -5.711 1.00 0.59 C ATOM 0 H VAL A 123 11.750 -7.521 -2.532 1.00 0.44 H new ATOM 0 HA VAL A 123 11.701 -8.457 -5.247 1.00 0.51 H new ATOM 0 HB VAL A 123 13.159 -6.604 -4.287 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.309 -7.250 -3.305 1.00 0.48 H new ATOM 0 HG12 VAL A 123 13.930 -7.703 -2.275 1.00 0.48 H new ATOM 0 HG13 VAL A 123 14.763 -8.943 -3.243 1.00 0.48 H new ATOM 0 HG21 VAL A 123 15.074 -7.158 -5.740 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.501 -8.840 -5.838 1.00 0.59 H new ATOM 0 HG23 VAL A 123 13.515 -7.522 -6.516 1.00 0.59 H new ATOM 1711 N LYS A 124 12.494 -10.514 -2.884 1.00 0.55 N ATOM 1712 CA LYS A 124 12.772 -11.918 -2.607 1.00 0.61 C ATOM 1713 C LYS A 124 11.636 -12.800 -3.107 1.00 0.63 C ATOM 1714 O LYS A 124 11.827 -13.988 -3.367 1.00 0.72 O ATOM 1715 CB LYS A 124 13.024 -12.150 -1.112 1.00 0.62 C ATOM 1716 CG LYS A 124 14.376 -11.627 -0.646 1.00 0.67 C ATOM 1717 CD LYS A 124 14.641 -11.909 0.828 1.00 0.75 C ATOM 1718 CE LYS A 124 13.665 -11.179 1.738 1.00 0.67 C ATOM 1719 NZ LYS A 124 14.133 -11.157 3.151 1.00 1.07 N ATOM 0 H LYS A 124 12.193 -9.974 -2.073 1.00 0.55 H new ATOM 0 HA LYS A 124 13.680 -12.191 -3.144 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.235 -11.664 -0.537 1.00 0.62 H new ATOM 0 HB3 LYS A 124 12.961 -13.217 -0.900 1.00 0.62 H new ATOM 0 HG2 LYS A 124 15.163 -12.083 -1.246 1.00 0.67 H new ATOM 0 HG3 LYS A 124 14.425 -10.552 -0.820 1.00 0.67 H new ATOM 0 HD2 LYS A 124 14.571 -12.982 1.009 1.00 0.75 H new ATOM 0 HD3 LYS A 124 15.659 -11.610 1.076 1.00 0.75 H new ATOM 0 HE2 LYS A 124 13.533 -10.157 1.383 1.00 0.67 H new ATOM 0 HE3 LYS A 124 12.689 -11.663 1.686 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 13.432 -10.665 3.741 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 14.251 -12.132 3.493 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 15.044 -10.658 3.207 1.00 1.07 H new ATOM 1733 N VAL A 125 10.460 -12.212 -3.257 1.00 0.59 N ATOM 1734 CA VAL A 125 9.314 -12.940 -3.773 1.00 0.63 C ATOM 1735 C VAL A 125 9.253 -12.850 -5.296 1.00 0.69 C ATOM 1736 O VAL A 125 9.059 -13.860 -5.973 1.00 0.75 O ATOM 1737 CB VAL A 125 7.995 -12.437 -3.156 1.00 0.60 C ATOM 1738 CG1 VAL A 125 6.805 -13.169 -3.754 1.00 0.66 C ATOM 1739 CG2 VAL A 125 8.023 -12.613 -1.645 1.00 0.59 C ATOM 0 H VAL A 125 10.275 -11.235 -3.029 1.00 0.59 H new ATOM 0 HA VAL A 125 9.440 -13.985 -3.488 1.00 0.63 H new ATOM 0 HB VAL A 125 7.890 -11.376 -3.385 1.00 0.60 H new ATOM 0 HG11 VAL A 125 5.885 -12.797 -3.303 1.00 0.66 H new ATOM 0 HG12 VAL A 125 6.776 -12.999 -4.830 1.00 0.66 H new ATOM 0 HG13 VAL A 125 6.899 -14.237 -3.558 1.00 0.66 H new ATOM 0 HG21 VAL A 125 7.086 -12.254 -1.219 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.150 -13.668 -1.404 1.00 0.59 H new ATOM 0 HG23 VAL A 125 8.853 -12.043 -1.228 1.00 0.59 H new ATOM 1749 N LYS A 126 9.429 -11.651 -5.846 1.00 0.68 N ATOM 1750 CA LYS A 126 9.485 -11.496 -7.297 1.00 0.76 C ATOM 1751 C LYS A 126 10.693 -10.666 -7.736 1.00 0.75 C ATOM 1752 O LYS A 126 10.595 -9.471 -7.986 1.00 0.73 O ATOM 1753 CB LYS A 126 8.169 -10.937 -7.876 1.00 0.80 C ATOM 1754 CG LYS A 126 7.375 -10.009 -6.962 1.00 0.73 C ATOM 1755 CD LYS A 126 7.788 -8.555 -7.121 1.00 0.71 C ATOM 1756 CE LYS A 126 6.611 -7.613 -6.876 1.00 0.73 C ATOM 1757 NZ LYS A 126 6.953 -6.181 -7.121 1.00 1.12 N ATOM 0 H LYS A 126 9.534 -10.784 -5.318 1.00 0.68 H new ATOM 0 HA LYS A 126 9.613 -12.496 -7.712 1.00 0.76 H new ATOM 0 HB2 LYS A 126 8.400 -10.398 -8.795 1.00 0.80 H new ATOM 0 HB3 LYS A 126 7.531 -11.777 -8.151 1.00 0.80 H new ATOM 0 HG2 LYS A 126 6.312 -10.109 -7.181 1.00 0.73 H new ATOM 0 HG3 LYS A 126 7.517 -10.314 -5.925 1.00 0.73 H new ATOM 0 HD2 LYS A 126 8.592 -8.325 -6.422 1.00 0.71 H new ATOM 0 HD3 LYS A 126 8.182 -8.394 -8.125 1.00 0.71 H new ATOM 0 HE2 LYS A 126 5.782 -7.899 -7.523 1.00 0.73 H new ATOM 0 HE3 LYS A 126 6.267 -7.729 -5.848 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 6.094 -5.660 -7.391 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 7.352 -5.766 -6.255 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 7.652 -6.117 -7.889 1.00 1.12 H new ATOM 1771 N PRO A 127 11.861 -11.319 -7.839 1.00 0.80 N ATOM 1772 CA PRO A 127 13.111 -10.670 -8.250 1.00 0.83 C ATOM 1773 C PRO A 127 13.147 -10.394 -9.747 1.00 0.92 C ATOM 1774 O PRO A 127 13.924 -9.569 -10.224 1.00 0.96 O ATOM 1775 CB PRO A 127 14.182 -11.692 -7.872 1.00 0.87 C ATOM 1776 CG PRO A 127 13.486 -13.009 -7.924 1.00 0.97 C ATOM 1777 CD PRO A 127 12.053 -12.748 -7.544 1.00 0.86 C ATOM 0 HA PRO A 127 13.244 -9.698 -7.774 1.00 0.83 H new ATOM 0 HB2 PRO A 127 15.022 -11.660 -8.566 1.00 0.87 H new ATOM 0 HB3 PRO A 127 14.583 -11.495 -6.878 1.00 0.87 H new ATOM 0 HG2 PRO A 127 13.550 -13.443 -8.922 1.00 0.97 H new ATOM 0 HG3 PRO A 127 13.947 -13.719 -7.237 1.00 0.97 H new ATOM 0 HD2 PRO A 127 11.368 -13.370 -8.120 1.00 0.86 H new ATOM 0 HD3 PRO A 127 11.873 -12.966 -6.491 1.00 0.86 H new ATOM 1785 N HIS A 128 12.289 -11.089 -10.481 1.00 0.99 N ATOM 1786 CA HIS A 128 12.181 -10.899 -11.925 1.00 1.12 C ATOM 1787 C HIS A 128 11.407 -9.624 -12.234 1.00 1.04 C ATOM 1788 O HIS A 128 11.218 -9.260 -13.393 1.00 1.11 O ATOM 1789 CB HIS A 128 11.480 -12.095 -12.586 1.00 1.33 C ATOM 1790 CG HIS A 128 10.017 -12.212 -12.253 1.00 2.00 C ATOM 1791 ND1 HIS A 128 9.015 -11.750 -13.081 1.00 2.75 N ATOM 1792 CD2 HIS A 128 9.393 -12.744 -11.177 1.00 2.49 C ATOM 1793 CE1 HIS A 128 7.842 -11.990 -12.528 1.00 3.56 C ATOM 1794 NE2 HIS A 128 8.043 -12.593 -11.372 1.00 3.37 N ATOM 0 H HIS A 128 11.655 -11.792 -10.101 1.00 0.99 H new ATOM 0 HA HIS A 128 13.191 -10.818 -12.328 1.00 1.12 H new ATOM 0 HB2 HIS A 128 11.590 -12.014 -13.667 1.00 1.33 H new ATOM 0 HB3 HIS A 128 11.985 -13.012 -12.282 1.00 1.33 H new ATOM 0 HD2 HIS A 128 9.869 -13.203 -10.323 1.00 2.49 H new ATOM 0 HE1 HIS A 128 6.881 -11.736 -12.950 1.00 3.56 H new ATOM 0 HE2 HIS A 128 7.313 -12.898 -10.728 1.00 3.37 H new ATOM 1803 N ASP A 129 10.954 -8.960 -11.187 1.00 0.92 N ATOM 1804 CA ASP A 129 10.108 -7.797 -11.335 1.00 0.89 C ATOM 1805 C ASP A 129 10.869 -6.504 -11.074 1.00 0.83 C ATOM 1806 O ASP A 129 11.401 -6.280 -9.985 1.00 0.80 O ATOM 1807 CB ASP A 129 8.905 -7.910 -10.414 1.00 0.89 C ATOM 1808 CG ASP A 129 8.100 -6.640 -10.384 1.00 0.89 C ATOM 1809 OD1 ASP A 129 7.404 -6.337 -11.376 1.00 1.09 O ATOM 1810 OD2 ASP A 129 8.174 -5.936 -9.370 1.00 1.11 O ATOM 0 H ASP A 129 11.161 -9.211 -10.220 1.00 0.92 H new ATOM 0 HA ASP A 129 9.764 -7.762 -12.369 1.00 0.89 H new ATOM 0 HB2 ASP A 129 8.272 -8.734 -10.744 1.00 0.89 H new ATOM 0 HB3 ASP A 129 9.241 -8.151 -9.405 1.00 0.89 H new ATOM 1815 N LYS A 130 10.906 -5.671 -12.105 1.00 0.85 N ATOM 1816 CA LYS A 130 11.550 -4.356 -12.073 1.00 0.89 C ATOM 1817 C LYS A 130 11.068 -3.470 -10.922 1.00 0.84 C ATOM 1818 O LYS A 130 11.794 -2.577 -10.489 1.00 0.84 O ATOM 1819 CB LYS A 130 11.341 -3.609 -13.407 1.00 1.04 C ATOM 1820 CG LYS A 130 10.124 -4.046 -14.232 1.00 1.18 C ATOM 1821 CD LYS A 130 8.815 -3.904 -13.471 1.00 1.44 C ATOM 1822 CE LYS A 130 7.657 -4.546 -14.215 1.00 2.28 C ATOM 1823 NZ LYS A 130 6.460 -4.691 -13.346 1.00 3.05 N ATOM 0 H LYS A 130 10.482 -5.890 -13.007 1.00 0.85 H new ATOM 0 HA LYS A 130 12.610 -4.553 -11.913 1.00 0.89 H new ATOM 0 HB2 LYS A 130 11.249 -2.544 -13.195 1.00 1.04 H new ATOM 0 HB3 LYS A 130 12.235 -3.737 -14.017 1.00 1.04 H new ATOM 0 HG2 LYS A 130 10.076 -3.450 -15.143 1.00 1.18 H new ATOM 0 HG3 LYS A 130 10.251 -5.085 -14.537 1.00 1.18 H new ATOM 0 HD2 LYS A 130 8.915 -4.364 -12.488 1.00 1.44 H new ATOM 0 HD3 LYS A 130 8.602 -2.847 -13.309 1.00 1.44 H new ATOM 0 HE2 LYS A 130 7.404 -3.941 -15.086 1.00 2.28 H new ATOM 0 HE3 LYS A 130 7.960 -5.526 -14.584 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 5.629 -4.906 -13.933 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 6.615 -5.464 -12.668 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 6.298 -3.804 -12.828 1.00 3.05 H new ATOM 1837 N ASP A 131 9.868 -3.722 -10.424 1.00 0.86 N ATOM 1838 CA ASP A 131 9.274 -2.883 -9.393 1.00 0.90 C ATOM 1839 C ASP A 131 9.863 -3.249 -8.045 1.00 0.77 C ATOM 1840 O ASP A 131 10.290 -2.386 -7.274 1.00 0.80 O ATOM 1841 CB ASP A 131 7.755 -3.067 -9.383 1.00 1.05 C ATOM 1842 CG ASP A 131 7.094 -2.457 -8.167 1.00 1.45 C ATOM 1843 OD1 ASP A 131 7.037 -1.211 -8.080 1.00 1.60 O ATOM 1844 OD2 ASP A 131 6.618 -3.225 -7.301 1.00 1.82 O ATOM 0 H ASP A 131 9.283 -4.504 -10.718 1.00 0.86 H new ATOM 0 HA ASP A 131 9.493 -1.836 -9.602 1.00 0.90 H new ATOM 0 HB2 ASP A 131 7.334 -2.617 -10.282 1.00 1.05 H new ATOM 0 HB3 ASP A 131 7.523 -4.131 -9.420 1.00 1.05 H new ATOM 1849 N ALA A 132 9.898 -4.548 -7.791 1.00 0.69 N ATOM 1850 CA ALA A 132 10.533 -5.089 -6.608 1.00 0.62 C ATOM 1851 C ALA A 132 11.999 -4.711 -6.583 1.00 0.59 C ATOM 1852 O ALA A 132 12.512 -4.234 -5.571 1.00 0.56 O ATOM 1853 CB ALA A 132 10.392 -6.597 -6.586 1.00 0.65 C ATOM 0 H ALA A 132 9.486 -5.254 -8.402 1.00 0.69 H new ATOM 0 HA ALA A 132 10.044 -4.672 -5.727 1.00 0.62 H new ATOM 0 HB1 ALA A 132 10.873 -6.994 -5.692 1.00 0.65 H new ATOM 0 HB2 ALA A 132 9.335 -6.864 -6.578 1.00 0.65 H new ATOM 0 HB3 ALA A 132 10.866 -7.020 -7.472 1.00 0.65 H new ATOM 1859 N LYS A 133 12.664 -4.936 -7.715 1.00 0.63 N ATOM 1860 CA LYS A 133 14.063 -4.570 -7.865 1.00 0.66 C ATOM 1861 C LYS A 133 14.264 -3.096 -7.563 1.00 0.65 C ATOM 1862 O LYS A 133 14.914 -2.751 -6.587 1.00 0.63 O ATOM 1863 CB LYS A 133 14.564 -4.864 -9.285 1.00 0.74 C ATOM 1864 CG LYS A 133 14.490 -6.328 -9.683 1.00 0.75 C ATOM 1865 CD LYS A 133 15.076 -6.567 -11.068 1.00 0.95 C ATOM 1866 CE LYS A 133 16.559 -6.234 -11.121 1.00 1.21 C ATOM 1867 NZ LYS A 133 17.360 -7.104 -10.219 1.00 1.93 N ATOM 0 H LYS A 133 12.252 -5.371 -8.540 1.00 0.63 H new ATOM 0 HA LYS A 133 14.635 -5.169 -7.157 1.00 0.66 H new ATOM 0 HB2 LYS A 133 13.979 -4.277 -9.993 1.00 0.74 H new ATOM 0 HB3 LYS A 133 15.597 -4.528 -9.370 1.00 0.74 H new ATOM 0 HG2 LYS A 133 15.028 -6.931 -8.952 1.00 0.75 H new ATOM 0 HG3 LYS A 133 13.451 -6.657 -9.666 1.00 0.75 H new ATOM 0 HD2 LYS A 133 14.928 -7.609 -11.350 1.00 0.95 H new ATOM 0 HD3 LYS A 133 14.541 -5.960 -11.798 1.00 0.95 H new ATOM 0 HE2 LYS A 133 16.919 -6.344 -12.144 1.00 1.21 H new ATOM 0 HE3 LYS A 133 16.706 -5.191 -10.842 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 18.372 -6.974 -10.420 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 17.168 -6.848 -9.229 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 17.100 -8.099 -10.376 1.00 1.93 H new ATOM 1881 N MET A 134 13.651 -2.243 -8.378 1.00 0.68 N ATOM 1882 CA MET A 134 13.903 -0.801 -8.358 1.00 0.72 C ATOM 1883 C MET A 134 14.005 -0.238 -6.945 1.00 0.65 C ATOM 1884 O MET A 134 15.038 0.314 -6.566 1.00 0.68 O ATOM 1885 CB MET A 134 12.795 -0.065 -9.107 1.00 0.78 C ATOM 1886 CG MET A 134 12.976 1.445 -9.139 1.00 0.84 C ATOM 1887 SD MET A 134 11.757 2.267 -10.183 1.00 0.97 S ATOM 1888 CE MET A 134 10.222 1.646 -9.494 1.00 1.61 C ATOM 0 H MET A 134 12.963 -2.531 -9.074 1.00 0.68 H new ATOM 0 HA MET A 134 14.865 -0.646 -8.847 1.00 0.72 H new ATOM 0 HB2 MET A 134 12.750 -0.438 -10.130 1.00 0.78 H new ATOM 0 HB3 MET A 134 11.837 -0.297 -8.641 1.00 0.78 H new ATOM 0 HG2 MET A 134 12.904 1.837 -8.125 1.00 0.84 H new ATOM 0 HG3 MET A 134 13.977 1.680 -9.501 1.00 0.84 H new ATOM 0 HE1 MET A 134 9.487 2.450 -9.460 1.00 1.61 H new ATOM 0 HE2 MET A 134 9.845 0.836 -10.118 1.00 1.61 H new ATOM 0 HE3 MET A 134 10.400 1.274 -8.485 1.00 1.61 H new ATOM 1898 N LYS A 135 12.941 -0.387 -6.171 1.00 0.59 N ATOM 1899 CA LYS A 135 12.895 0.178 -4.833 1.00 0.54 C ATOM 1900 C LYS A 135 13.845 -0.549 -3.886 1.00 0.48 C ATOM 1901 O LYS A 135 14.415 0.067 -2.988 1.00 0.46 O ATOM 1902 CB LYS A 135 11.468 0.147 -4.292 1.00 0.54 C ATOM 1903 CG LYS A 135 10.714 1.462 -4.449 1.00 0.65 C ATOM 1904 CD LYS A 135 10.645 1.912 -5.898 1.00 0.76 C ATOM 1905 CE LYS A 135 9.608 3.010 -6.097 1.00 1.05 C ATOM 1906 NZ LYS A 135 9.940 4.250 -5.346 1.00 1.94 N ATOM 0 H LYS A 135 12.100 -0.894 -6.446 1.00 0.59 H new ATOM 0 HA LYS A 135 13.224 1.215 -4.897 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.914 -0.640 -4.803 1.00 0.54 H new ATOM 0 HB3 LYS A 135 11.497 -0.119 -3.235 1.00 0.54 H new ATOM 0 HG2 LYS A 135 9.703 1.349 -4.057 1.00 0.65 H new ATOM 0 HG3 LYS A 135 11.203 2.233 -3.853 1.00 0.65 H new ATOM 0 HD2 LYS A 135 11.623 2.274 -6.214 1.00 0.76 H new ATOM 0 HD3 LYS A 135 10.400 1.060 -6.533 1.00 0.76 H new ATOM 0 HE2 LYS A 135 9.529 3.242 -7.159 1.00 1.05 H new ATOM 0 HE3 LYS A 135 8.632 2.646 -5.777 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 9.222 4.977 -5.541 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 9.956 4.045 -4.327 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 10.874 4.597 -5.644 1.00 1.94 H new ATOM 1920 N TYR A 136 14.026 -1.852 -4.094 1.00 0.48 N ATOM 1921 CA TYR A 136 14.988 -2.618 -3.308 1.00 0.46 C ATOM 1922 C TYR A 136 16.387 -2.052 -3.486 1.00 0.47 C ATOM 1923 O TYR A 136 17.043 -1.687 -2.519 1.00 0.48 O ATOM 1924 CB TYR A 136 14.999 -4.097 -3.713 1.00 0.48 C ATOM 1925 CG TYR A 136 16.184 -4.855 -3.149 1.00 0.48 C ATOM 1926 CD1 TYR A 136 16.299 -5.100 -1.786 1.00 0.48 C ATOM 1927 CD2 TYR A 136 17.197 -5.310 -3.986 1.00 0.54 C ATOM 1928 CE1 TYR A 136 17.394 -5.773 -1.273 1.00 0.51 C ATOM 1929 CE2 TYR A 136 18.289 -5.987 -3.481 1.00 0.57 C ATOM 1930 CZ TYR A 136 18.385 -6.215 -2.127 1.00 0.54 C ATOM 1931 OH TYR A 136 19.484 -6.878 -1.626 1.00 0.59 O ATOM 0 H TYR A 136 13.523 -2.395 -4.795 1.00 0.48 H new ATOM 0 HA TYR A 136 14.683 -2.542 -2.264 1.00 0.46 H new ATOM 0 HB2 TYR A 136 14.077 -4.568 -3.372 1.00 0.48 H new ATOM 0 HB3 TYR A 136 15.012 -4.170 -4.800 1.00 0.48 H new ATOM 0 HD1 TYR A 136 15.522 -4.760 -1.117 1.00 0.48 H new ATOM 0 HD2 TYR A 136 17.128 -5.131 -5.049 1.00 0.54 H new ATOM 0 HE1 TYR A 136 17.473 -5.951 -0.211 1.00 0.51 H new ATOM 0 HE2 TYR A 136 19.065 -6.336 -4.146 1.00 0.57 H new ATOM 0 HH TYR A 136 20.084 -7.120 -2.362 1.00 0.59 H new ATOM 1941 N GLN A 137 16.822 -1.974 -4.735 1.00 0.49 N ATOM 1942 CA GLN A 137 18.184 -1.577 -5.058 1.00 0.51 C ATOM 1943 C GLN A 137 18.418 -0.145 -4.642 1.00 0.53 C ATOM 1944 O GLN A 137 19.450 0.185 -4.067 1.00 0.57 O ATOM 1945 CB GLN A 137 18.435 -1.729 -6.555 1.00 0.55 C ATOM 1946 CG GLN A 137 17.621 -2.850 -7.170 1.00 0.61 C ATOM 1947 CD GLN A 137 18.146 -3.357 -8.486 1.00 1.17 C ATOM 1948 OE1 GLN A 137 17.874 -2.791 -9.545 1.00 2.09 O ATOM 1949 NE2 GLN A 137 18.825 -4.478 -8.430 1.00 1.24 N ATOM 0 H GLN A 137 16.244 -2.183 -5.549 1.00 0.49 H new ATOM 0 HA GLN A 137 18.875 -2.223 -4.516 1.00 0.51 H new ATOM 0 HB2 GLN A 137 18.194 -0.792 -7.057 1.00 0.55 H new ATOM 0 HB3 GLN A 137 19.495 -1.919 -6.725 1.00 0.55 H new ATOM 0 HG2 GLN A 137 17.581 -3.681 -6.466 1.00 0.61 H new ATOM 0 HG3 GLN A 137 16.598 -2.503 -7.312 1.00 0.61 H new ATOM 0 HE21 GLN A 137 19.025 -4.908 -7.527 1.00 1.24 H new ATOM 0 HE22 GLN A 137 19.153 -4.919 -9.289 1.00 1.24 H new ATOM 1958 N GLU A 138 17.440 0.694 -4.937 1.00 0.53 N ATOM 1959 CA GLU A 138 17.477 2.089 -4.550 1.00 0.57 C ATOM 1960 C GLU A 138 17.626 2.227 -3.034 1.00 0.54 C ATOM 1961 O GLU A 138 18.548 2.884 -2.555 1.00 0.60 O ATOM 1962 CB GLU A 138 16.198 2.770 -5.014 1.00 0.60 C ATOM 1963 CG GLU A 138 16.050 4.198 -4.524 1.00 0.69 C ATOM 1964 CD GLU A 138 16.847 5.182 -5.354 1.00 1.33 C ATOM 1965 OE1 GLU A 138 16.433 5.474 -6.494 1.00 1.46 O ATOM 1966 OE2 GLU A 138 17.891 5.662 -4.875 1.00 2.04 O ATOM 0 H GLU A 138 16.601 0.426 -5.451 1.00 0.53 H new ATOM 0 HA GLU A 138 18.338 2.565 -5.019 1.00 0.57 H new ATOM 0 HB2 GLU A 138 16.170 2.765 -6.104 1.00 0.60 H new ATOM 0 HB3 GLU A 138 15.343 2.188 -4.671 1.00 0.60 H new ATOM 0 HG2 GLU A 138 14.997 4.479 -4.546 1.00 0.69 H new ATOM 0 HG3 GLU A 138 16.374 4.258 -3.485 1.00 0.69 H new ATOM 1973 N CYS A 139 16.725 1.597 -2.285 1.00 0.47 N ATOM 1974 CA CYS A 139 16.772 1.661 -0.830 1.00 0.44 C ATOM 1975 C CYS A 139 18.073 1.060 -0.319 1.00 0.43 C ATOM 1976 O CYS A 139 18.736 1.634 0.547 1.00 0.42 O ATOM 1977 CB CYS A 139 15.588 0.918 -0.206 1.00 0.42 C ATOM 1978 SG CYS A 139 15.440 1.153 1.574 1.00 1.06 S ATOM 0 H CYS A 139 15.958 1.039 -2.660 1.00 0.47 H new ATOM 0 HA CYS A 139 16.716 2.710 -0.540 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.668 1.252 -0.685 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.688 -0.147 -0.416 1.00 0.42 H new ATOM 0 HG CYS A 139 14.531 2.049 1.819 1.00 1.06 H new ATOM 1984 N ASN A 140 18.432 -0.092 -0.874 1.00 0.45 N ATOM 1985 CA ASN A 140 19.645 -0.795 -0.488 1.00 0.48 C ATOM 1986 C ASN A 140 20.858 0.093 -0.688 1.00 0.52 C ATOM 1987 O ASN A 140 21.639 0.302 0.238 1.00 0.54 O ATOM 1988 CB ASN A 140 19.791 -2.096 -1.293 1.00 0.52 C ATOM 1989 CG ASN A 140 21.042 -2.875 -0.935 1.00 0.60 C ATOM 1990 OD1 ASN A 140 21.049 -3.656 0.017 1.00 1.22 O ATOM 1991 ND2 ASN A 140 22.103 -2.685 -1.704 1.00 1.13 N ATOM 0 H ASN A 140 17.892 -0.561 -1.601 1.00 0.45 H new ATOM 0 HA ASN A 140 19.575 -1.050 0.569 1.00 0.48 H new ATOM 0 HB2 ASN A 140 18.917 -2.724 -1.121 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.809 -1.859 -2.357 1.00 0.52 H new ATOM 0 HD21 ASN A 140 22.966 -3.195 -1.517 1.00 1.13 H new ATOM 0 HD22 ASN A 140 22.057 -2.029 -2.484 1.00 1.13 H new ATOM 1998 N LYS A 141 20.990 0.650 -1.886 1.00 0.56 N ATOM 1999 CA LYS A 141 22.141 1.473 -2.200 1.00 0.63 C ATOM 2000 C LYS A 141 22.152 2.734 -1.353 1.00 0.60 C ATOM 2001 O LYS A 141 23.215 3.207 -0.973 1.00 0.65 O ATOM 2002 CB LYS A 141 22.204 1.833 -3.687 1.00 0.70 C ATOM 2003 CG LYS A 141 21.114 2.768 -4.187 1.00 0.69 C ATOM 2004 CD LYS A 141 21.514 3.345 -5.529 1.00 0.81 C ATOM 2005 CE LYS A 141 20.501 4.349 -6.053 1.00 0.85 C ATOM 2006 NZ LYS A 141 20.540 5.628 -5.297 1.00 1.15 N ATOM 0 H LYS A 141 20.318 0.546 -2.647 1.00 0.56 H new ATOM 0 HA LYS A 141 23.027 0.882 -1.966 1.00 0.63 H new ATOM 0 HB2 LYS A 141 23.172 2.292 -3.890 1.00 0.70 H new ATOM 0 HB3 LYS A 141 22.160 0.911 -4.267 1.00 0.70 H new ATOM 0 HG2 LYS A 141 20.172 2.228 -4.279 1.00 0.69 H new ATOM 0 HG3 LYS A 141 20.952 3.571 -3.468 1.00 0.69 H new ATOM 0 HD2 LYS A 141 22.487 3.828 -5.438 1.00 0.81 H new ATOM 0 HD3 LYS A 141 21.626 2.536 -6.251 1.00 0.81 H new ATOM 0 HE2 LYS A 141 20.697 4.545 -7.107 1.00 0.85 H new ATOM 0 HE3 LYS A 141 19.501 3.921 -5.989 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 19.607 5.811 -4.876 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 21.253 5.564 -4.543 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 20.788 6.405 -5.942 1.00 1.15 H new ATOM 2020 N ILE A 142 20.970 3.268 -1.046 1.00 0.54 N ATOM 2021 CA ILE A 142 20.869 4.475 -0.236 1.00 0.52 C ATOM 2022 C ILE A 142 21.340 4.225 1.192 1.00 0.49 C ATOM 2023 O ILE A 142 21.991 5.079 1.804 1.00 0.51 O ATOM 2024 CB ILE A 142 19.451 5.074 -0.250 1.00 0.50 C ATOM 2025 CG1 ILE A 142 19.196 5.717 -1.612 1.00 0.58 C ATOM 2026 CG2 ILE A 142 19.293 6.099 0.858 1.00 0.49 C ATOM 2027 CD1 ILE A 142 17.874 6.449 -1.706 1.00 0.60 C ATOM 0 H ILE A 142 20.074 2.883 -1.346 1.00 0.54 H new ATOM 0 HA ILE A 142 21.532 5.212 -0.690 1.00 0.52 H new ATOM 0 HB ILE A 142 18.722 4.281 -0.079 1.00 0.50 H new ATOM 0 HG12 ILE A 142 20.004 6.416 -1.830 1.00 0.58 H new ATOM 0 HG13 ILE A 142 19.228 4.944 -2.380 1.00 0.58 H new ATOM 0 HG21 ILE A 142 18.284 6.511 0.831 1.00 0.49 H new ATOM 0 HG22 ILE A 142 19.465 5.621 1.823 1.00 0.49 H new ATOM 0 HG23 ILE A 142 20.017 6.902 0.717 1.00 0.49 H new ATOM 0 HD11 ILE A 142 17.766 6.878 -2.702 1.00 0.60 H new ATOM 0 HD12 ILE A 142 17.058 5.751 -1.521 1.00 0.60 H new ATOM 0 HD13 ILE A 142 17.846 7.246 -0.963 1.00 0.60 H new ATOM 2039 N VAL A 143 21.049 3.047 1.716 1.00 0.46 N ATOM 2040 CA VAL A 143 21.572 2.671 3.015 1.00 0.47 C ATOM 2041 C VAL A 143 23.096 2.663 2.976 1.00 0.56 C ATOM 2042 O VAL A 143 23.750 3.087 3.925 1.00 0.59 O ATOM 2043 CB VAL A 143 21.060 1.294 3.478 1.00 0.47 C ATOM 2044 CG1 VAL A 143 21.697 0.922 4.805 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.544 1.299 3.601 1.00 0.41 C ATOM 0 H VAL A 143 20.461 2.344 1.268 1.00 0.46 H new ATOM 0 HA VAL A 143 21.218 3.411 3.733 1.00 0.47 H new ATOM 0 HB VAL A 143 21.339 0.550 2.732 1.00 0.47 H new ATOM 0 HG11 VAL A 143 21.329 -0.053 5.125 1.00 0.55 H new ATOM 0 HG12 VAL A 143 22.780 0.881 4.690 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.440 1.670 5.555 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.202 0.317 3.929 1.00 0.41 H new ATOM 0 HG22 VAL A 143 19.241 2.051 4.329 1.00 0.41 H new ATOM 0 HG23 VAL A 143 19.101 1.532 2.633 1.00 0.41 H new ATOM 2055 N LYS A 144 23.652 2.219 1.851 1.00 0.63 N ATOM 2056 CA LYS A 144 25.101 2.159 1.690 1.00 0.74 C ATOM 2057 C LYS A 144 25.668 3.545 1.400 1.00 0.76 C ATOM 2058 O LYS A 144 26.864 3.781 1.583 1.00 0.85 O ATOM 2059 CB LYS A 144 25.491 1.189 0.572 1.00 0.84 C ATOM 2060 CG LYS A 144 24.574 -0.012 0.471 1.00 0.83 C ATOM 2061 CD LYS A 144 25.141 -1.101 -0.425 1.00 1.10 C ATOM 2062 CE LYS A 144 26.262 -1.864 0.263 1.00 1.57 C ATOM 2063 NZ LYS A 144 26.687 -3.057 -0.518 1.00 2.23 N ATOM 0 H LYS A 144 23.123 1.897 1.041 1.00 0.63 H new ATOM 0 HA LYS A 144 25.524 1.794 2.626 1.00 0.74 H new ATOM 0 HB2 LYS A 144 25.486 1.722 -0.379 1.00 0.84 H new ATOM 0 HB3 LYS A 144 26.512 0.845 0.739 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.401 -0.419 1.467 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.606 0.305 0.084 1.00 0.83 H new ATOM 0 HD2 LYS A 144 24.347 -1.793 -0.704 1.00 1.10 H new ATOM 0 HD3 LYS A 144 25.515 -0.656 -1.347 1.00 1.10 H new ATOM 0 HE2 LYS A 144 27.116 -1.202 0.407 1.00 1.57 H new ATOM 0 HE3 LYS A 144 25.932 -2.178 1.253 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 27.453 -3.548 -0.013 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 25.879 -3.702 -0.634 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 27.027 -2.756 -1.454 1.00 2.23 H new ATOM 2077 N GLN A 145 24.817 4.459 0.927 1.00 0.70 N ATOM 2078 CA GLN A 145 25.215 5.858 0.784 1.00 0.74 C ATOM 2079 C GLN A 145 25.574 6.400 2.147 1.00 0.75 C ATOM 2080 O GLN A 145 26.483 7.217 2.306 1.00 0.84 O ATOM 2081 CB GLN A 145 24.090 6.712 0.209 1.00 0.71 C ATOM 2082 CG GLN A 145 23.454 6.105 -1.007 1.00 0.72 C ATOM 2083 CD GLN A 145 24.345 6.121 -2.225 1.00 0.94 C ATOM 2084 OE1 GLN A 145 25.166 7.020 -2.404 1.00 1.36 O ATOM 2085 NE2 GLN A 145 24.192 5.113 -3.062 1.00 1.27 N ATOM 0 H GLN A 145 23.859 4.257 0.640 1.00 0.70 H new ATOM 0 HA GLN A 145 26.063 5.900 0.100 1.00 0.74 H new ATOM 0 HB2 GLN A 145 23.328 6.862 0.974 1.00 0.71 H new ATOM 0 HB3 GLN A 145 24.483 7.696 -0.047 1.00 0.71 H new ATOM 0 HG2 GLN A 145 23.174 5.075 -0.785 1.00 0.72 H new ATOM 0 HG3 GLN A 145 22.534 6.644 -1.233 1.00 0.72 H new ATOM 0 HE21 GLN A 145 23.497 4.391 -2.870 1.00 1.27 H new ATOM 0 HE22 GLN A 145 24.769 5.055 -3.901 1.00 1.27 H new ATOM 2094 N LYS A 146 24.818 5.936 3.125 1.00 0.67 N ATOM 2095 CA LYS A 146 25.022 6.315 4.502 1.00 0.70 C ATOM 2096 C LYS A 146 26.117 5.471 5.145 1.00 0.84 C ATOM 2097 O LYS A 146 27.108 5.997 5.649 1.00 0.94 O ATOM 2098 CB LYS A 146 23.717 6.162 5.282 1.00 0.58 C ATOM 2099 CG LYS A 146 22.640 7.151 4.874 1.00 0.58 C ATOM 2100 CD LYS A 146 21.459 7.105 5.826 1.00 0.64 C ATOM 2101 CE LYS A 146 20.445 8.190 5.501 1.00 1.40 C ATOM 2102 NZ LYS A 146 19.426 8.345 6.571 1.00 1.73 N ATOM 0 H LYS A 146 24.046 5.285 2.982 1.00 0.67 H new ATOM 0 HA LYS A 146 25.338 7.358 4.527 1.00 0.70 H new ATOM 0 HB2 LYS A 146 23.338 5.149 5.144 1.00 0.58 H new ATOM 0 HB3 LYS A 146 23.924 6.282 6.345 1.00 0.58 H new ATOM 0 HG2 LYS A 146 23.056 8.158 4.856 1.00 0.58 H new ATOM 0 HG3 LYS A 146 22.303 6.928 3.862 1.00 0.58 H new ATOM 0 HD2 LYS A 146 20.980 6.128 5.768 1.00 0.64 H new ATOM 0 HD3 LYS A 146 21.810 7.227 6.851 1.00 0.64 H new ATOM 0 HE2 LYS A 146 20.964 9.138 5.356 1.00 1.40 H new ATOM 0 HE3 LYS A 146 19.948 7.951 4.561 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 19.235 9.356 6.724 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 18.548 7.866 6.286 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 19.781 7.922 7.452 1.00 1.73 H new ATOM 2116 N ALA A 147 25.932 4.161 5.117 1.00 1.04 N ATOM 2117 CA ALA A 147 26.866 3.239 5.737 1.00 1.25 C ATOM 2118 C ALA A 147 27.237 2.125 4.771 1.00 1.72 C ATOM 2119 O ALA A 147 26.418 1.204 4.582 1.00 2.32 O ATOM 2120 CB ALA A 147 26.269 2.660 7.010 1.00 1.87 C ATOM 2121 OXT ALA A 147 28.350 2.166 4.208 1.00 2.18 O ATOM 0 H ALA A 147 25.135 3.710 4.667 1.00 1.04 H new ATOM 0 HA ALA A 147 27.773 3.786 5.995 1.00 1.25 H new ATOM 0 HB1 ALA A 147 26.980 1.970 7.464 1.00 1.87 H new ATOM 0 HB2 ALA A 147 26.049 3.467 7.709 1.00 1.87 H new ATOM 0 HB3 ALA A 147 25.349 2.127 6.771 1.00 1.87 H new TER 2127 ALA A 147 HETATM 2128 C ACE B 0 -2.084 -2.914 -16.652 1.00 5.84 C HETATM 2129 O ACE B 0 -1.763 -1.790 -17.050 1.00 5.72 O HETATM 2130 CH3 ACE B 0 -2.874 -3.847 -17.538 1.00 6.73 C HETATM 0 H1 ACE B 0 -2.302 -4.759 -17.707 1.00 6.73 H new HETATM 0 H2 ACE B 0 -3.819 -4.095 -17.054 1.00 6.73 H new HETATM 0 H3 ACE B 0 -3.072 -3.361 -18.493 1.00 6.73 H new ATOM 2134 N MET B 1 -1.769 -3.383 -15.442 1.00 5.58 N ATOM 2135 CA MET B 1 -1.010 -2.604 -14.461 1.00 5.12 C ATOM 2136 C MET B 1 -1.754 -1.332 -14.068 1.00 4.50 C ATOM 2137 O MET B 1 -1.141 -0.306 -13.761 1.00 4.70 O ATOM 2138 CB MET B 1 0.390 -2.255 -14.985 1.00 5.46 C ATOM 2139 CG MET B 1 1.319 -3.452 -15.096 1.00 6.11 C ATOM 2140 SD MET B 1 3.004 -2.987 -15.551 1.00 6.75 S ATOM 2141 CE MET B 1 2.727 -2.227 -17.148 1.00 6.84 C ATOM 0 H MET B 1 -2.033 -4.313 -15.115 1.00 5.58 H new ATOM 0 HA MET B 1 -0.899 -3.228 -13.574 1.00 5.12 H new ATOM 0 HB2 MET B 1 0.295 -1.788 -15.966 1.00 5.46 H new ATOM 0 HB3 MET B 1 0.842 -1.516 -14.323 1.00 5.46 H new ATOM 0 HG2 MET B 1 1.337 -3.982 -14.144 1.00 6.11 H new ATOM 0 HG3 MET B 1 0.925 -4.145 -15.839 1.00 6.11 H new ATOM 0 HE1 MET B 1 3.671 -2.162 -17.689 1.00 6.84 H new ATOM 0 HE2 MET B 1 2.022 -2.830 -17.720 1.00 6.84 H new ATOM 0 HE3 MET B 1 2.319 -1.226 -17.009 1.00 6.84 H new ATOM 2151 N GLU B 2 -3.076 -1.411 -14.065 1.00 4.17 N ATOM 2152 CA GLU B 2 -3.916 -0.308 -13.625 1.00 3.92 C ATOM 2153 C GLU B 2 -4.060 -0.349 -12.103 1.00 3.09 C ATOM 2154 O GLU B 2 -3.158 -0.832 -11.412 1.00 3.38 O ATOM 2155 CB GLU B 2 -5.300 -0.376 -14.300 1.00 4.79 C ATOM 2156 CG GLU B 2 -6.068 -1.674 -14.062 1.00 5.50 C ATOM 2157 CD GLU B 2 -5.630 -2.808 -14.970 1.00 6.27 C ATOM 2158 OE1 GLU B 2 -4.628 -3.479 -14.642 1.00 6.76 O ATOM 2159 OE2 GLU B 2 -6.281 -3.031 -16.014 1.00 6.64 O ATOM 0 H GLU B 2 -3.594 -2.237 -14.366 1.00 4.17 H new ATOM 0 HA GLU B 2 -3.446 0.632 -13.914 1.00 3.92 H new ATOM 0 HB2 GLU B 2 -5.904 0.458 -13.942 1.00 4.79 H new ATOM 0 HB3 GLU B 2 -5.172 -0.238 -15.374 1.00 4.79 H new ATOM 0 HG2 GLU B 2 -5.938 -1.979 -13.024 1.00 5.50 H new ATOM 0 HG3 GLU B 2 -7.132 -1.490 -14.210 1.00 5.50 H new ATOM 2166 N GLU B 3 -5.170 0.190 -11.595 1.00 2.63 N ATOM 2167 CA GLU B 3 -5.516 0.101 -10.175 1.00 2.33 C ATOM 2168 C GLU B 3 -4.686 1.036 -9.302 1.00 1.99 C ATOM 2169 O GLU B 3 -3.590 1.466 -9.671 1.00 2.69 O ATOM 2170 CB GLU B 3 -5.369 -1.342 -9.675 1.00 2.76 C ATOM 2171 CG GLU B 3 -6.488 -2.261 -10.129 1.00 3.28 C ATOM 2172 CD GLU B 3 -7.725 -2.110 -9.274 1.00 3.76 C ATOM 2173 OE1 GLU B 3 -8.263 -0.988 -9.179 1.00 4.29 O ATOM 2174 OE2 GLU B 3 -8.155 -3.115 -8.668 1.00 4.07 O ATOM 0 H GLU B 3 -5.853 0.700 -12.155 1.00 2.63 H new ATOM 0 HA GLU B 3 -6.556 0.417 -10.090 1.00 2.33 H new ATOM 0 HB2 GLU B 3 -4.417 -1.743 -10.024 1.00 2.76 H new ATOM 0 HB3 GLU B 3 -5.333 -1.338 -8.586 1.00 2.76 H new ATOM 0 HG2 GLU B 3 -6.736 -2.044 -11.168 1.00 3.28 H new ATOM 0 HG3 GLU B 3 -6.146 -3.295 -10.092 1.00 3.28 H new ATOM 2181 N VAL B 4 -5.247 1.371 -8.149 1.00 1.33 N ATOM 2182 CA VAL B 4 -4.519 2.079 -7.110 1.00 1.08 C ATOM 2183 C VAL B 4 -3.794 1.052 -6.252 1.00 0.96 C ATOM 2184 O VAL B 4 -2.596 1.165 -5.982 1.00 1.58 O ATOM 2185 CB VAL B 4 -5.470 2.910 -6.224 1.00 1.16 C ATOM 2186 CG1 VAL B 4 -4.699 3.666 -5.154 1.00 1.73 C ATOM 2187 CG2 VAL B 4 -6.285 3.869 -7.075 1.00 1.88 C ATOM 0 H VAL B 4 -6.216 1.160 -7.909 1.00 1.33 H new ATOM 0 HA VAL B 4 -3.813 2.766 -7.576 1.00 1.08 H new ATOM 0 HB VAL B 4 -6.153 2.224 -5.723 1.00 1.16 H new ATOM 0 HG11 VAL B 4 -5.394 4.243 -4.544 1.00 1.73 H new ATOM 0 HG12 VAL B 4 -4.164 2.957 -4.522 1.00 1.73 H new ATOM 0 HG13 VAL B 4 -3.986 4.340 -5.628 1.00 1.73 H new ATOM 0 HG21 VAL B 4 -6.951 4.448 -6.435 1.00 1.88 H new ATOM 0 HG22 VAL B 4 -5.614 4.545 -7.606 1.00 1.88 H new ATOM 0 HG23 VAL B 4 -6.876 3.304 -7.796 1.00 1.88 H new ATOM 2197 N ASP B 5 -4.556 0.053 -5.838 1.00 0.80 N ATOM 2198 CA ASP B 5 -4.032 -1.119 -5.163 1.00 0.80 C ATOM 2199 C ASP B 5 -4.993 -2.266 -5.438 1.00 1.61 C ATOM 2200 O ASP B 5 -4.587 -3.249 -6.084 1.00 2.34 O ATOM 2201 CB ASP B 5 -3.898 -0.896 -3.652 1.00 1.41 C ATOM 2202 CG ASP B 5 -2.940 -1.872 -2.996 1.00 2.34 C ATOM 2203 OD1 ASP B 5 -3.240 -3.083 -2.962 1.00 2.81 O ATOM 2204 OD2 ASP B 5 -1.869 -1.427 -2.527 1.00 3.06 O ATOM 2205 OXT ASP B 5 -6.190 -2.124 -5.085 1.00 2.28 O ATOM 0 H ASP B 5 -5.568 0.035 -5.964 1.00 0.80 H new ATOM 0 HA ASP B 5 -3.032 -1.339 -5.538 1.00 0.80 H new ATOM 0 HB2 ASP B 5 -3.554 0.122 -3.469 1.00 1.41 H new ATOM 0 HB3 ASP B 5 -4.879 -0.990 -3.187 1.00 1.41 H new TER 2210 ASP B 5