USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1102 hydrogens (28 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 NoAdj-H: B 312 ALY H2 : B 312 ALY N : B 311 GLY C :(H bumps) USER MOD NoAdj-H: B 315 ALY H2 : B 315 ALY N : B 314 LYS C :(H bumps) USER MOD Set 1.1: A 135 GLN : amide:sc= 0.725 K(o=1.9,f=-5.5!) USER MOD Set 1.2: A 136 LYS NZ :NH3+ -165:sc= 1.2 (180deg=0) USER MOD Set 2.1: A 117 LYS NZ :NH3+ -128:sc= 1.05 (180deg=0) USER MOD Set 2.2: A 119 THR OG1 : rot -157:sc= 0.995 USER MOD Set 3.1: A 112 CYS SG : rot 21:sc= -1.78 USER MOD Set 3.2: A 116 ASN : amide:sc= 0.958 K(o=-0.82,f=-2.9) USER MOD Set 4.1: A 38 GLN : amide:sc= 1.12 K(o=2.2,f=1) USER MOD Set 4.2: A 97 SER OG : rot 98:sc= 0.922 USER MOD Set 4.3: A 99 SER OG : rot -66:sc= 0.131 USER MOD Set 5.1: A 95 TYR OH : rot -110:sc= 0.893 USER MOD Set 5.2: A 101 CYS SG : rot -10:sc= -0.34 USER MOD Set 6.1: A 35 LYS NZ :NH3+ -137:sc= 0.77 (180deg=0) USER MOD Set 6.2: A 93 ASN : amide:sc= -0.158 K(o=0.61,f=-6.7!) USER MOD Set 7.1: A 87 LYS NZ :NH3+ 150:sc= 0.933 (180deg=-0.866!) USER MOD Set 7.2: A 88 LYS NZ :NH3+ -144:sc= 1.24 (180deg=-0.259) USER MOD Set 8.1: A 79 ASN : amide:sc= 0.0634 K(o=0.67,f=-3.6!) USER MOD Set 8.2: A 106 ASN : amide:sc= 0.277 X(o=0.67,f=0.4) USER MOD Set 8.3: A 107 THR OG1 : rot -144:sc= 0.334 USER MOD Set 9.1: A 73 TYR OH : rot -120:sc= 1.22 USER MOD Set 9.2: A 111 ASN : amide:sc= 0.692 K(o=1.9,f=-0.63!) USER MOD Set10.1: A 44 ASN : amide:sc= 1.2 K(o=2.4,f=-6.7!) USER MOD Set10.2: A 48 LYS NZ :NH3+ 152:sc= 1.24 (180deg=0) USER MOD Set11.1: A 40 GLN : amide:sc= -0.271 K(o=-0.15,f=-1.1) USER MOD Set11.2: A 43 GLN : amide:sc= 0.119 X(o=-0.15,f=-0.38) USER MOD Set12.1: A 42 MET CE :methyl -125:sc= -1.24 (180deg=-2.04!) USER MOD Set12.2: A 102 MET CE :methyl 175:sc=-0.00152 (180deg=-0.00154) USER MOD Set12.3: A 140 MET CE :methyl -109:sc= -0.013 (180deg=0) USER MOD Set13.1: A 27 SER OG : rot 13:sc= 0.28 USER MOD Set13.2: A 92 ASN : amide:sc= 0.564 K(o=0.84,f=0.14) USER MOD Single : A 24 SER OG : rot 180:sc= -0.94 USER MOD Single : A 28 ASN : amide:sc= 1.51 K(o=1.5,f=-6.5!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 1.73 (180deg=1.52) USER MOD Single : A 36 THR OG1 : rot 168:sc= 1.3 USER MOD Single : A 37 ASN : amide:sc=-0.00281 K(o=-0.0028,f=-1.4!) USER MOD Single : A 41 TYR OH : rot -5:sc= 0.54 USER MOD Single : A 49 THR OG1 : rot 114:sc= 1.28 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-5.2!) USER MOD Single : A 54 GLN : amide:sc= -0.0688 X(o=-0.069,f=-0.4) USER MOD Single : A 60 TYR OH : rot -11:sc= 1.31 USER MOD Single : A 61 GLN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 146:sc= 1.17 (180deg=0.371) USER MOD Single : A 69 ASN : amide:sc= -0.071 X(o=-0.071,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -1.73! C(o=-1.7!,f=-4.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -104:sc= 0.209 (180deg=-0.154) USER MOD Single : A 81 MET CE :methyl -177:sc= 0 (180deg=-0.0117) USER MOD Single : A 83 MET CE :methyl -147:sc= -1.54 (180deg=-2.49!) USER MOD Single : A 85 THR OG1 : rot -97:sc= 1.56 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc=-0.00134 X(o=-0.0013,f=-0.12) USER MOD Single : A 108 MET CE :methyl -154:sc= -0.277 (180deg=-1.24) USER MOD Single : A 110 THR OG1 : rot -73:sc= -0.381 USER MOD Single : A 113 TYR OH : rot -163:sc= 0.0727 USER MOD Single : A 115 TYR OH : rot 22:sc= 1.21 USER MOD Single : A 125 MET CE :methyl 177:sc= -0.1 (180deg=-0.123) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ -106:sc= 1.28 (180deg=-0.504) USER MOD Single : A 139 GLN : amide:sc= -0.356 K(o=-0.36,f=-3.2!) USER MOD Single : A 142 GLN : amide:sc= 0.101 X(o=0.1,f=-0.29) USER MOD Single : B 314 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 316 LYS NZ :NH3+ -153:sc= 0.0852 (180deg=-1.52!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 21 1.792 -15.711 4.753 1.00 5.93 N ATOM 2 CA PRO A 21 0.969 -16.921 4.969 1.00 5.16 C ATOM 3 C PRO A 21 1.824 -18.172 4.819 1.00 4.32 C ATOM 4 O PRO A 21 3.036 -18.079 4.620 1.00 4.31 O ATOM 5 CB PRO A 21 -0.164 -16.937 3.955 1.00 4.92 C ATOM 6 CG PRO A 21 0.222 -15.890 2.975 1.00 5.41 C ATOM 7 CD PRO A 21 1.103 -14.909 3.718 1.00 6.18 C ATOM 0 HA PRO A 21 0.556 -16.905 5.978 1.00 5.16 H new ATOM 0 HB2 PRO A 21 -0.262 -17.913 3.480 1.00 4.92 H new ATOM 0 HB3 PRO A 21 -1.123 -16.713 4.423 1.00 4.92 H new ATOM 0 HG2 PRO A 21 0.755 -16.327 2.130 1.00 5.41 H new ATOM 0 HG3 PRO A 21 -0.660 -15.392 2.572 1.00 5.41 H new ATOM 0 HD2 PRO A 21 1.819 -14.436 3.046 1.00 6.18 H new ATOM 0 HD3 PRO A 21 0.512 -14.111 4.167 1.00 6.18 H new ATOM 16 N LEU A 22 1.199 -19.338 4.924 1.00 4.14 N ATOM 17 CA LEU A 22 1.899 -20.597 4.710 1.00 3.85 C ATOM 18 C LEU A 22 2.090 -20.837 3.216 1.00 3.48 C ATOM 19 O LEU A 22 1.283 -21.499 2.566 1.00 4.01 O ATOM 20 CB LEU A 22 1.133 -21.758 5.350 1.00 4.67 C ATOM 21 CG LEU A 22 1.837 -22.433 6.531 1.00 5.12 C ATOM 22 CD1 LEU A 22 3.157 -23.048 6.091 1.00 5.71 C ATOM 23 CD2 LEU A 22 2.065 -21.437 7.659 1.00 5.61 C ATOM 0 H LEU A 22 0.211 -19.437 5.156 1.00 4.14 H new ATOM 0 HA LEU A 22 2.879 -20.538 5.185 1.00 3.85 H new ATOM 0 HB2 LEU A 22 0.164 -21.390 5.688 1.00 4.67 H new ATOM 0 HB3 LEU A 22 0.940 -22.510 4.585 1.00 4.67 H new ATOM 0 HG LEU A 22 1.193 -23.231 6.900 1.00 5.12 H new ATOM 0 HD11 LEU A 22 3.640 -23.522 6.945 1.00 5.71 H new ATOM 0 HD12 LEU A 22 2.971 -23.795 5.319 1.00 5.71 H new ATOM 0 HD13 LEU A 22 3.807 -22.269 5.693 1.00 5.71 H new ATOM 0 HD21 LEU A 22 2.566 -21.935 8.489 1.00 5.61 H new ATOM 0 HD22 LEU A 22 2.686 -20.617 7.300 1.00 5.61 H new ATOM 0 HD23 LEU A 22 1.106 -21.045 7.997 1.00 5.61 H new ATOM 35 N GLY A 23 3.152 -20.264 2.682 1.00 3.17 N ATOM 36 CA GLY A 23 3.438 -20.368 1.269 1.00 3.45 C ATOM 37 C GLY A 23 4.193 -19.153 0.789 1.00 2.96 C ATOM 38 O GLY A 23 5.415 -19.189 0.642 1.00 3.32 O ATOM 0 H GLY A 23 3.833 -19.719 3.211 1.00 3.17 H new ATOM 0 HA2 GLY A 23 4.024 -21.267 1.076 1.00 3.45 H new ATOM 0 HA3 GLY A 23 2.507 -20.469 0.711 1.00 3.45 H new ATOM 42 N SER A 24 3.467 -18.072 0.561 1.00 2.37 N ATOM 43 CA SER A 24 4.082 -16.804 0.231 1.00 1.94 C ATOM 44 C SER A 24 4.613 -16.143 1.498 1.00 1.65 C ATOM 45 O SER A 24 3.958 -16.168 2.543 1.00 1.75 O ATOM 46 CB SER A 24 3.080 -15.909 -0.465 1.00 2.01 C ATOM 47 OG SER A 24 1.841 -15.891 0.222 1.00 2.44 O ATOM 0 H SER A 24 2.448 -18.050 0.599 1.00 2.37 H new ATOM 0 HA SER A 24 4.918 -16.973 -0.447 1.00 1.94 H new ATOM 0 HB2 SER A 24 3.477 -14.896 -0.529 1.00 2.01 H new ATOM 0 HB3 SER A 24 2.927 -16.257 -1.487 1.00 2.01 H new ATOM 0 HG SER A 24 1.214 -15.303 -0.249 1.00 2.44 H new ATOM 53 N GLU A 25 5.797 -15.564 1.410 1.00 1.39 N ATOM 54 CA GLU A 25 6.454 -15.010 2.579 1.00 1.23 C ATOM 55 C GLU A 25 6.427 -13.493 2.579 1.00 1.05 C ATOM 56 O GLU A 25 6.013 -12.852 1.613 1.00 1.12 O ATOM 57 CB GLU A 25 7.896 -15.493 2.654 1.00 1.48 C ATOM 58 CG GLU A 25 8.715 -15.154 1.429 1.00 1.13 C ATOM 59 CD GLU A 25 9.253 -16.386 0.737 1.00 1.28 C ATOM 60 OE1 GLU A 25 9.670 -17.329 1.441 1.00 1.64 O ATOM 61 OE2 GLU A 25 9.251 -16.422 -0.511 1.00 1.43 O ATOM 0 H GLU A 25 6.323 -15.465 0.541 1.00 1.39 H new ATOM 0 HA GLU A 25 5.903 -15.358 3.453 1.00 1.23 H new ATOM 0 HB2 GLU A 25 8.372 -15.054 3.531 1.00 1.48 H new ATOM 0 HB3 GLU A 25 7.901 -16.574 2.796 1.00 1.48 H new ATOM 0 HG2 GLU A 25 8.100 -14.587 0.730 1.00 1.13 H new ATOM 0 HG3 GLU A 25 9.546 -14.510 1.717 1.00 1.13 H new ATOM 68 N VAL A 26 6.875 -12.942 3.688 1.00 0.93 N ATOM 69 CA VAL A 26 7.020 -11.505 3.844 1.00 0.84 C ATOM 70 C VAL A 26 8.468 -11.192 4.199 1.00 0.83 C ATOM 71 O VAL A 26 8.928 -10.052 4.106 1.00 0.85 O ATOM 72 CB VAL A 26 6.065 -10.950 4.928 1.00 0.83 C ATOM 73 CG1 VAL A 26 6.526 -11.332 6.328 1.00 0.93 C ATOM 74 CG2 VAL A 26 5.919 -9.443 4.798 1.00 0.83 C ATOM 0 H VAL A 26 7.150 -13.478 4.511 1.00 0.93 H new ATOM 0 HA VAL A 26 6.754 -11.021 2.904 1.00 0.84 H new ATOM 0 HB VAL A 26 5.087 -11.404 4.769 1.00 0.83 H new ATOM 0 HG11 VAL A 26 5.832 -10.925 7.063 1.00 0.93 H new ATOM 0 HG12 VAL A 26 6.555 -12.418 6.418 1.00 0.93 H new ATOM 0 HG13 VAL A 26 7.522 -10.927 6.506 1.00 0.93 H new ATOM 0 HG21 VAL A 26 5.243 -9.075 5.570 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.895 -8.971 4.915 1.00 0.83 H new ATOM 0 HG23 VAL A 26 5.514 -9.200 3.816 1.00 0.83 H new ATOM 84 N SER A 27 9.179 -12.241 4.578 1.00 0.91 N ATOM 85 CA SER A 27 10.584 -12.163 4.899 1.00 1.00 C ATOM 86 C SER A 27 11.254 -13.474 4.518 1.00 1.07 C ATOM 87 O SER A 27 10.744 -14.558 4.816 1.00 1.19 O ATOM 88 CB SER A 27 10.781 -11.877 6.391 1.00 1.15 C ATOM 89 OG SER A 27 11.390 -10.613 6.600 1.00 1.61 O ATOM 0 H SER A 27 8.787 -13.178 4.671 1.00 0.91 H new ATOM 0 HA SER A 27 11.037 -11.346 4.338 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.817 -11.907 6.899 1.00 1.15 H new ATOM 0 HB3 SER A 27 11.399 -12.658 6.834 1.00 1.15 H new ATOM 0 HG SER A 27 11.375 -10.100 5.765 1.00 1.61 H new ATOM 95 N ASN A 28 12.376 -13.373 3.838 1.00 1.07 N ATOM 96 CA ASN A 28 13.098 -14.547 3.379 1.00 1.18 C ATOM 97 C ASN A 28 14.584 -14.224 3.243 1.00 1.23 C ATOM 98 O ASN A 28 14.956 -13.262 2.572 1.00 1.12 O ATOM 99 CB ASN A 28 12.509 -15.043 2.047 1.00 1.19 C ATOM 100 CG ASN A 28 13.163 -16.321 1.536 1.00 1.39 C ATOM 101 OD1 ASN A 28 14.362 -16.353 1.255 1.00 1.60 O ATOM 102 ND2 ASN A 28 12.373 -17.377 1.393 1.00 1.48 N ATOM 0 H ASN A 28 12.812 -12.486 3.588 1.00 1.07 H new ATOM 0 HA ASN A 28 12.991 -15.347 4.112 1.00 1.18 H new ATOM 0 HB2 ASN A 28 11.440 -15.216 2.173 1.00 1.19 H new ATOM 0 HB3 ASN A 28 12.620 -14.261 1.296 1.00 1.19 H new ATOM 0 HD21 ASN A 28 12.754 -18.255 1.039 1.00 1.48 H new ATOM 0 HD22 ASN A 28 11.385 -17.311 1.637 1.00 1.48 H new ATOM 109 N PRO A 29 15.445 -15.023 3.896 1.00 1.46 N ATOM 110 CA PRO A 29 16.901 -14.793 3.929 1.00 1.60 C ATOM 111 C PRO A 29 17.567 -14.945 2.563 1.00 1.54 C ATOM 112 O PRO A 29 18.381 -14.110 2.162 1.00 1.54 O ATOM 113 CB PRO A 29 17.397 -15.894 4.869 1.00 1.87 C ATOM 114 CG PRO A 29 16.376 -16.963 4.736 1.00 1.86 C ATOM 115 CD PRO A 29 15.076 -16.231 4.660 1.00 1.65 C ATOM 0 HA PRO A 29 17.138 -13.777 4.244 1.00 1.60 H new ATOM 0 HB2 PRO A 29 18.387 -16.249 4.582 1.00 1.87 H new ATOM 0 HB3 PRO A 29 17.472 -15.538 5.897 1.00 1.87 H new ATOM 0 HG2 PRO A 29 16.545 -17.565 3.843 1.00 1.86 H new ATOM 0 HG3 PRO A 29 16.400 -17.643 5.588 1.00 1.86 H new ATOM 0 HD2 PRO A 29 14.308 -16.815 4.153 1.00 1.65 H new ATOM 0 HD3 PRO A 29 14.688 -15.985 5.649 1.00 1.65 H new ATOM 123 N SER A 30 17.224 -16.015 1.860 1.00 1.57 N ATOM 124 CA SER A 30 17.818 -16.316 0.570 1.00 1.63 C ATOM 125 C SER A 30 17.427 -15.265 -0.455 1.00 1.47 C ATOM 126 O SER A 30 18.194 -14.940 -1.363 1.00 1.58 O ATOM 127 CB SER A 30 17.351 -17.693 0.115 1.00 1.81 C ATOM 128 OG SER A 30 17.575 -18.660 1.131 1.00 2.18 O ATOM 0 H SER A 30 16.529 -16.695 2.168 1.00 1.57 H new ATOM 0 HA SER A 30 18.904 -16.311 0.665 1.00 1.63 H new ATOM 0 HB2 SER A 30 16.290 -17.659 -0.134 1.00 1.81 H new ATOM 0 HB3 SER A 30 17.882 -17.981 -0.792 1.00 1.81 H new ATOM 0 HG SER A 30 17.267 -19.537 0.821 1.00 2.18 H new ATOM 134 N LYS A 31 16.228 -14.736 -0.294 1.00 1.28 N ATOM 135 CA LYS A 31 15.735 -13.693 -1.174 1.00 1.14 C ATOM 136 C LYS A 31 16.352 -12.351 -0.780 1.00 1.01 C ATOM 137 O LYS A 31 16.243 -11.932 0.375 1.00 1.03 O ATOM 138 CB LYS A 31 14.202 -13.622 -1.109 1.00 1.14 C ATOM 139 CG LYS A 31 13.632 -12.277 -1.534 1.00 1.18 C ATOM 140 CD LYS A 31 12.530 -11.793 -0.600 1.00 1.26 C ATOM 141 CE LYS A 31 13.055 -11.489 0.797 1.00 1.93 C ATOM 142 NZ LYS A 31 13.822 -10.216 0.850 1.00 2.75 N ATOM 0 H LYS A 31 15.576 -15.013 0.440 1.00 1.28 H new ATOM 0 HA LYS A 31 16.023 -13.925 -2.199 1.00 1.14 H new ATOM 0 HB2 LYS A 31 13.784 -14.401 -1.746 1.00 1.14 H new ATOM 0 HB3 LYS A 31 13.880 -13.837 -0.090 1.00 1.14 H new ATOM 0 HG2 LYS A 31 14.433 -11.538 -1.561 1.00 1.18 H new ATOM 0 HG3 LYS A 31 13.237 -12.356 -2.547 1.00 1.18 H new ATOM 0 HD2 LYS A 31 12.070 -10.897 -1.017 1.00 1.26 H new ATOM 0 HD3 LYS A 31 11.750 -12.552 -0.536 1.00 1.26 H new ATOM 0 HE2 LYS A 31 12.218 -11.435 1.493 1.00 1.93 H new ATOM 0 HE3 LYS A 31 13.693 -12.308 1.129 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 14.229 -10.095 1.799 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 14.587 -10.242 0.146 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 13.187 -9.419 0.642 1.00 2.75 H new ATOM 156 N PRO A 32 17.026 -11.672 -1.725 1.00 0.99 N ATOM 157 CA PRO A 32 17.630 -10.359 -1.481 1.00 0.97 C ATOM 158 C PRO A 32 16.680 -9.386 -0.800 1.00 0.85 C ATOM 159 O PRO A 32 15.501 -9.290 -1.151 1.00 0.89 O ATOM 160 CB PRO A 32 17.965 -9.865 -2.881 1.00 1.14 C ATOM 161 CG PRO A 32 18.222 -11.104 -3.658 1.00 1.38 C ATOM 162 CD PRO A 32 17.272 -12.136 -3.105 1.00 1.13 C ATOM 0 HA PRO A 32 18.487 -10.431 -0.811 1.00 0.97 H new ATOM 0 HB2 PRO A 32 17.142 -9.292 -3.308 1.00 1.14 H new ATOM 0 HB3 PRO A 32 18.838 -9.212 -2.874 1.00 1.14 H new ATOM 0 HG2 PRO A 32 18.048 -10.942 -4.722 1.00 1.38 H new ATOM 0 HG3 PRO A 32 19.257 -11.427 -3.549 1.00 1.38 H new ATOM 0 HD2 PRO A 32 16.349 -12.183 -3.683 1.00 1.13 H new ATOM 0 HD3 PRO A 32 17.710 -13.134 -3.121 1.00 1.13 H new ATOM 170 N GLY A 33 17.203 -8.682 0.178 1.00 0.83 N ATOM 171 CA GLY A 33 16.422 -7.713 0.910 1.00 0.79 C ATOM 172 C GLY A 33 17.315 -6.765 1.662 1.00 0.76 C ATOM 173 O GLY A 33 17.296 -6.716 2.892 1.00 0.97 O ATOM 0 H GLY A 33 18.172 -8.764 0.486 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.789 -7.154 0.221 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.759 -8.225 1.607 1.00 0.79 H new ATOM 177 N ARG A 34 18.119 -6.023 0.919 1.00 0.81 N ATOM 178 CA ARG A 34 19.074 -5.103 1.509 1.00 0.79 C ATOM 179 C ARG A 34 18.385 -3.814 1.922 1.00 0.79 C ATOM 180 O ARG A 34 17.239 -3.564 1.557 1.00 0.97 O ATOM 181 CB ARG A 34 20.200 -4.801 0.522 1.00 0.82 C ATOM 182 CG ARG A 34 20.724 -6.033 -0.196 1.00 1.24 C ATOM 183 CD ARG A 34 22.203 -6.250 0.075 1.00 1.04 C ATOM 184 NE ARG A 34 23.043 -5.442 -0.802 1.00 0.98 N ATOM 185 CZ ARG A 34 24.306 -5.733 -1.105 1.00 1.43 C ATOM 186 NH1 ARG A 34 24.889 -6.810 -0.584 1.00 1.93 N ATOM 187 NH2 ARG A 34 24.984 -4.947 -1.929 1.00 1.56 N ATOM 0 H ARG A 34 18.128 -6.041 -0.101 1.00 0.81 H new ATOM 0 HA ARG A 34 19.500 -5.572 2.396 1.00 0.79 H new ATOM 0 HB2 ARG A 34 19.842 -4.084 -0.217 1.00 0.82 H new ATOM 0 HB3 ARG A 34 21.022 -4.324 1.056 1.00 0.82 H new ATOM 0 HG2 ARG A 34 20.162 -6.910 0.126 1.00 1.24 H new ATOM 0 HG3 ARG A 34 20.562 -5.927 -1.269 1.00 1.24 H new ATOM 0 HD2 ARG A 34 22.421 -6.004 1.114 1.00 1.04 H new ATOM 0 HD3 ARG A 34 22.446 -7.304 -0.060 1.00 1.04 H new ATOM 0 HE ARG A 34 22.636 -4.600 -1.209 1.00 0.98 H new ATOM 0 HH11 ARG A 34 24.368 -7.416 0.050 1.00 1.93 H new ATOM 0 HH12 ARG A 34 25.857 -7.030 -0.819 1.00 1.93 H new ATOM 0 HH21 ARG A 34 24.538 -4.122 -2.329 1.00 1.56 H new ATOM 0 HH22 ARG A 34 25.952 -5.167 -2.163 1.00 1.56 H new ATOM 201 N LYS A 35 19.080 -3.000 2.687 1.00 0.80 N ATOM 202 CA LYS A 35 18.536 -1.733 3.125 1.00 0.82 C ATOM 203 C LYS A 35 19.134 -0.601 2.311 1.00 0.77 C ATOM 204 O LYS A 35 20.316 -0.297 2.447 1.00 0.93 O ATOM 205 CB LYS A 35 18.831 -1.512 4.608 1.00 0.87 C ATOM 206 CG LYS A 35 17.972 -2.352 5.534 1.00 1.42 C ATOM 207 CD LYS A 35 16.707 -1.613 5.941 1.00 1.71 C ATOM 208 CE LYS A 35 16.501 -1.656 7.445 1.00 1.85 C ATOM 209 NZ LYS A 35 15.686 -2.825 7.862 1.00 2.64 N ATOM 0 H LYS A 35 20.025 -3.194 3.019 1.00 0.80 H new ATOM 0 HA LYS A 35 17.456 -1.750 2.978 1.00 0.82 H new ATOM 0 HB2 LYS A 35 19.881 -1.737 4.798 1.00 0.87 H new ATOM 0 HB3 LYS A 35 18.683 -0.459 4.846 1.00 0.87 H new ATOM 0 HG2 LYS A 35 17.706 -3.286 5.039 1.00 1.42 H new ATOM 0 HG3 LYS A 35 18.544 -2.615 6.424 1.00 1.42 H new ATOM 0 HD2 LYS A 35 16.767 -0.576 5.610 1.00 1.71 H new ATOM 0 HD3 LYS A 35 15.847 -2.058 5.441 1.00 1.71 H new ATOM 0 HE2 LYS A 35 17.470 -1.694 7.943 1.00 1.85 H new ATOM 0 HE3 LYS A 35 16.011 -0.738 7.770 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 14.993 -2.527 8.578 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 15.186 -3.212 7.036 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 16.307 -3.556 8.264 1.00 2.64 H new ATOM 223 N THR A 36 18.342 -0.007 1.440 1.00 0.59 N ATOM 224 CA THR A 36 18.793 1.153 0.699 1.00 0.54 C ATOM 225 C THR A 36 18.084 2.412 1.180 1.00 0.46 C ATOM 226 O THR A 36 17.145 2.341 1.981 1.00 0.46 O ATOM 227 CB THR A 36 18.579 0.996 -0.816 1.00 0.56 C ATOM 228 OG1 THR A 36 17.213 1.278 -1.155 1.00 0.54 O ATOM 229 CG2 THR A 36 18.936 -0.406 -1.278 1.00 0.68 C ATOM 0 H THR A 36 17.390 -0.306 1.229 1.00 0.59 H new ATOM 0 HA THR A 36 19.864 1.242 0.883 1.00 0.54 H new ATOM 0 HB THR A 36 19.235 1.705 -1.321 1.00 0.56 H new ATOM 0 HG1 THR A 36 17.129 1.367 -2.127 1.00 0.54 H new ATOM 0 HG21 THR A 36 18.775 -0.487 -2.353 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.983 -0.608 -1.052 1.00 0.68 H new ATOM 0 HG23 THR A 36 18.307 -1.131 -0.761 1.00 0.68 H new ATOM 237 N ASN A 37 18.543 3.555 0.691 1.00 0.42 N ATOM 238 CA ASN A 37 17.970 4.846 1.049 1.00 0.40 C ATOM 239 C ASN A 37 16.509 4.930 0.624 1.00 0.33 C ATOM 240 O ASN A 37 15.651 5.274 1.426 1.00 0.33 O ATOM 241 CB ASN A 37 18.776 5.977 0.405 1.00 0.48 C ATOM 242 CG ASN A 37 18.501 7.335 1.028 1.00 0.72 C ATOM 243 OD1 ASN A 37 17.898 7.436 2.095 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.949 8.391 0.365 1.00 0.78 N ATOM 0 H ASN A 37 19.322 3.614 0.036 1.00 0.42 H new ATOM 0 HA ASN A 37 18.015 4.952 2.133 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.839 5.753 0.492 1.00 0.48 H new ATOM 0 HB3 ASN A 37 18.545 6.019 -0.659 1.00 0.48 H new ATOM 0 HD21 ASN A 37 18.798 9.329 0.737 1.00 0.78 H new ATOM 0 HD22 ASN A 37 19.445 8.266 -0.517 1.00 0.78 H new ATOM 251 N GLN A 38 16.233 4.600 -0.638 1.00 0.33 N ATOM 252 CA GLN A 38 14.867 4.621 -1.163 1.00 0.31 C ATOM 253 C GLN A 38 13.949 3.729 -0.333 1.00 0.26 C ATOM 254 O GLN A 38 12.833 4.122 0.012 1.00 0.25 O ATOM 255 CB GLN A 38 14.842 4.162 -2.625 1.00 0.36 C ATOM 256 CG GLN A 38 14.522 5.269 -3.615 1.00 0.46 C ATOM 257 CD GLN A 38 14.790 4.875 -5.058 1.00 0.59 C ATOM 258 OE1 GLN A 38 14.409 3.793 -5.510 1.00 1.04 O ATOM 259 NE2 GLN A 38 15.448 5.759 -5.794 1.00 0.55 N ATOM 0 H GLN A 38 16.939 4.314 -1.317 1.00 0.33 H new ATOM 0 HA GLN A 38 14.507 5.648 -1.105 1.00 0.31 H new ATOM 0 HB2 GLN A 38 15.812 3.733 -2.877 1.00 0.36 H new ATOM 0 HB3 GLN A 38 14.104 3.367 -2.733 1.00 0.36 H new ATOM 0 HG2 GLN A 38 13.474 5.550 -3.510 1.00 0.46 H new ATOM 0 HG3 GLN A 38 15.115 6.150 -3.369 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.746 6.644 -5.383 1.00 0.55 H new ATOM 0 HE22 GLN A 38 15.656 5.555 -6.771 1.00 0.55 H new ATOM 268 N LEU A 39 14.435 2.533 -0.004 1.00 0.28 N ATOM 269 CA LEU A 39 13.653 1.565 0.761 1.00 0.31 C ATOM 270 C LEU A 39 13.249 2.133 2.115 1.00 0.29 C ATOM 271 O LEU A 39 12.065 2.180 2.455 1.00 0.30 O ATOM 272 CB LEU A 39 14.449 0.275 0.967 1.00 0.38 C ATOM 273 CG LEU A 39 13.749 -0.790 1.814 1.00 0.45 C ATOM 274 CD1 LEU A 39 13.283 -1.940 0.941 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.673 -1.298 2.908 1.00 0.80 C ATOM 0 H LEU A 39 15.369 2.211 -0.256 1.00 0.28 H new ATOM 0 HA LEU A 39 12.751 1.345 0.190 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.678 -0.152 -0.009 1.00 0.38 H new ATOM 0 HB3 LEU A 39 15.400 0.524 1.437 1.00 0.38 H new ATOM 0 HG LEU A 39 12.877 -0.334 2.284 1.00 0.45 H new ATOM 0 HD11 LEU A 39 12.787 -2.688 1.559 1.00 0.63 H new ATOM 0 HD12 LEU A 39 12.584 -1.568 0.192 1.00 0.63 H new ATOM 0 HD13 LEU A 39 14.142 -2.391 0.444 1.00 0.63 H new ATOM 0 HD21 LEU A 39 14.156 -2.054 3.499 1.00 0.80 H new ATOM 0 HD22 LEU A 39 15.564 -1.736 2.458 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.963 -0.469 3.554 1.00 0.80 H new ATOM 287 N GLN A 40 14.239 2.562 2.884 1.00 0.29 N ATOM 288 CA GLN A 40 13.995 3.109 4.211 1.00 0.30 C ATOM 289 C GLN A 40 13.209 4.408 4.115 1.00 0.26 C ATOM 290 O GLN A 40 12.386 4.717 4.983 1.00 0.28 O ATOM 291 CB GLN A 40 15.316 3.349 4.936 1.00 0.36 C ATOM 292 CG GLN A 40 15.852 2.113 5.639 1.00 0.42 C ATOM 293 CD GLN A 40 15.225 1.896 7.001 1.00 0.72 C ATOM 294 OE1 GLN A 40 14.458 0.952 7.205 1.00 1.75 O ATOM 295 NE2 GLN A 40 15.547 2.765 7.943 1.00 0.83 N ATOM 0 H GLN A 40 15.222 2.542 2.611 1.00 0.29 H new ATOM 0 HA GLN A 40 13.408 2.387 4.778 1.00 0.30 H new ATOM 0 HB2 GLN A 40 16.057 3.700 4.218 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.180 4.145 5.669 1.00 0.36 H new ATOM 0 HG2 GLN A 40 15.669 1.238 5.016 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.932 2.204 5.751 1.00 0.42 H new ATOM 0 HE21 GLN A 40 16.185 3.532 7.733 1.00 0.83 H new ATOM 0 HE22 GLN A 40 15.157 2.669 8.881 1.00 0.83 H new ATOM 304 N TYR A 41 13.462 5.159 3.047 1.00 0.25 N ATOM 305 CA TYR A 41 12.778 6.408 2.803 1.00 0.24 C ATOM 306 C TYR A 41 11.275 6.196 2.727 1.00 0.22 C ATOM 307 O TYR A 41 10.542 6.675 3.576 1.00 0.23 O ATOM 308 CB TYR A 41 13.286 7.040 1.502 1.00 0.24 C ATOM 309 CG TYR A 41 12.645 8.362 1.174 1.00 0.31 C ATOM 310 CD1 TYR A 41 11.475 8.425 0.433 1.00 0.32 C ATOM 311 CD2 TYR A 41 13.219 9.547 1.600 1.00 0.42 C ATOM 312 CE1 TYR A 41 10.896 9.640 0.124 1.00 0.44 C ATOM 313 CE2 TYR A 41 12.649 10.762 1.298 1.00 0.52 C ATOM 314 CZ TYR A 41 11.439 10.788 0.578 1.00 0.53 C ATOM 315 OH TYR A 41 10.925 12.025 0.258 1.00 0.64 O ATOM 0 H TYR A 41 14.147 4.912 2.333 1.00 0.25 H new ATOM 0 HA TYR A 41 12.988 7.082 3.634 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.365 7.179 1.574 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.108 6.347 0.680 1.00 0.24 H new ATOM 0 HD1 TYR A 41 11.010 7.511 0.093 1.00 0.32 H new ATOM 0 HD2 TYR A 41 14.130 9.517 2.179 1.00 0.42 H new ATOM 0 HE1 TYR A 41 10.004 9.671 -0.484 1.00 0.44 H new ATOM 0 HE2 TYR A 41 13.122 11.682 1.608 1.00 0.52 H new ATOM 0 HH TYR A 41 10.194 11.919 -0.386 1.00 0.64 H new ATOM 325 N MET A 42 10.817 5.442 1.738 1.00 0.20 N ATOM 326 CA MET A 42 9.387 5.330 1.489 1.00 0.20 C ATOM 327 C MET A 42 8.677 4.702 2.676 1.00 0.21 C ATOM 328 O MET A 42 7.511 4.998 2.940 1.00 0.22 O ATOM 329 CB MET A 42 9.116 4.496 0.236 1.00 0.23 C ATOM 330 CG MET A 42 9.183 5.282 -1.061 1.00 0.80 C ATOM 331 SD MET A 42 7.653 5.202 -2.015 1.00 1.07 S ATOM 332 CE MET A 42 7.358 3.435 -2.057 1.00 1.13 C ATOM 0 H MET A 42 11.406 4.905 1.102 1.00 0.20 H new ATOM 0 HA MET A 42 9.001 6.338 1.337 1.00 0.20 H new ATOM 0 HB2 MET A 42 9.839 3.681 0.192 1.00 0.23 H new ATOM 0 HB3 MET A 42 8.129 4.042 0.322 1.00 0.23 H new ATOM 0 HG2 MET A 42 9.410 6.324 -0.836 1.00 0.80 H new ATOM 0 HG3 MET A 42 10.004 4.900 -1.668 1.00 0.80 H new ATOM 0 HE1 MET A 42 7.255 3.108 -3.092 1.00 1.13 H new ATOM 0 HE2 MET A 42 8.197 2.915 -1.594 1.00 1.13 H new ATOM 0 HE3 MET A 42 6.443 3.206 -1.511 1.00 1.13 H new ATOM 342 N GLN A 43 9.396 3.850 3.393 1.00 0.24 N ATOM 343 CA GLN A 43 8.849 3.159 4.547 1.00 0.30 C ATOM 344 C GLN A 43 8.437 4.153 5.632 1.00 0.30 C ATOM 345 O GLN A 43 7.289 4.169 6.073 1.00 0.33 O ATOM 346 CB GLN A 43 9.884 2.171 5.090 1.00 0.42 C ATOM 347 CG GLN A 43 9.515 1.536 6.420 1.00 0.84 C ATOM 348 CD GLN A 43 10.738 1.109 7.212 1.00 0.76 C ATOM 349 OE1 GLN A 43 10.899 1.475 8.376 1.00 1.30 O ATOM 350 NE2 GLN A 43 11.611 0.337 6.583 1.00 0.54 N ATOM 0 H GLN A 43 10.369 3.621 3.191 1.00 0.24 H new ATOM 0 HA GLN A 43 7.958 2.612 4.240 1.00 0.30 H new ATOM 0 HB2 GLN A 43 10.034 1.381 4.354 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.837 2.688 5.201 1.00 0.42 H new ATOM 0 HG2 GLN A 43 8.932 2.244 7.009 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.879 0.669 6.242 1.00 0.84 H new ATOM 0 HE21 GLN A 43 11.440 0.056 5.618 1.00 0.54 H new ATOM 0 HE22 GLN A 43 12.454 0.024 7.064 1.00 0.54 H new ATOM 359 N ASN A 44 9.372 4.984 6.057 1.00 0.30 N ATOM 360 CA ASN A 44 9.104 5.930 7.131 1.00 0.33 C ATOM 361 C ASN A 44 8.516 7.230 6.608 1.00 0.31 C ATOM 362 O ASN A 44 7.758 7.904 7.301 1.00 0.34 O ATOM 363 CB ASN A 44 10.382 6.213 7.924 1.00 0.37 C ATOM 364 CG ASN A 44 10.924 4.973 8.607 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.402 4.533 9.633 1.00 0.50 O ATOM 366 ND2 ASN A 44 11.974 4.397 8.044 1.00 0.47 N ATOM 0 H ASN A 44 10.319 5.025 5.679 1.00 0.30 H new ATOM 0 HA ASN A 44 8.365 5.473 7.790 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.141 6.616 7.253 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.180 6.978 8.673 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.379 3.558 8.460 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.378 4.792 7.195 1.00 0.47 H new ATOM 373 N VAL A 45 8.872 7.582 5.391 1.00 0.27 N ATOM 374 CA VAL A 45 8.471 8.855 4.820 1.00 0.27 C ATOM 375 C VAL A 45 7.124 8.776 4.110 1.00 0.24 C ATOM 376 O VAL A 45 6.196 9.496 4.450 1.00 0.28 O ATOM 377 CB VAL A 45 9.519 9.362 3.820 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.063 10.650 3.170 1.00 0.29 C ATOM 379 CG2 VAL A 45 10.866 9.539 4.494 1.00 0.30 C ATOM 0 H VAL A 45 9.441 7.003 4.774 1.00 0.27 H new ATOM 0 HA VAL A 45 8.383 9.547 5.657 1.00 0.27 H new ATOM 0 HB VAL A 45 9.632 8.613 3.037 1.00 0.26 H new ATOM 0 HG11 VAL A 45 9.822 10.990 2.465 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.126 10.478 2.640 1.00 0.29 H new ATOM 0 HG13 VAL A 45 8.912 11.411 3.936 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.593 9.899 3.766 1.00 0.30 H new ATOM 0 HG22 VAL A 45 10.775 10.263 5.304 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.200 8.583 4.897 1.00 0.30 H new ATOM 389 N VAL A 46 7.021 7.895 3.128 1.00 0.19 N ATOM 390 CA VAL A 46 5.857 7.887 2.253 1.00 0.19 C ATOM 391 C VAL A 46 4.661 7.205 2.903 1.00 0.19 C ATOM 392 O VAL A 46 3.665 7.863 3.209 1.00 0.19 O ATOM 393 CB VAL A 46 6.172 7.220 0.898 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.918 7.099 0.044 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.237 8.013 0.161 1.00 0.22 C ATOM 0 H VAL A 46 7.720 7.183 2.917 1.00 0.19 H new ATOM 0 HA VAL A 46 5.597 8.930 2.075 1.00 0.19 H new ATOM 0 HB VAL A 46 6.547 6.215 1.091 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.169 6.626 -0.905 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.178 6.493 0.568 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.508 8.091 -0.143 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.452 7.534 -0.794 1.00 0.22 H new ATOM 0 HG22 VAL A 46 6.879 9.027 -0.015 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.146 8.048 0.762 1.00 0.22 H new ATOM 405 N VAL A 47 4.761 5.902 3.139 1.00 0.20 N ATOM 406 CA VAL A 47 3.616 5.150 3.646 1.00 0.23 C ATOM 407 C VAL A 47 3.261 5.565 5.074 1.00 0.23 C ATOM 408 O VAL A 47 2.087 5.628 5.430 1.00 0.25 O ATOM 409 CB VAL A 47 3.830 3.613 3.558 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.191 3.206 4.086 1.00 0.70 C ATOM 411 CG2 VAL A 47 2.731 2.859 4.290 1.00 0.83 C ATOM 0 H VAL A 47 5.606 5.351 2.991 1.00 0.20 H new ATOM 0 HA VAL A 47 2.775 5.397 2.999 1.00 0.23 H new ATOM 0 HB VAL A 47 3.785 3.346 2.502 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.303 2.125 4.008 1.00 0.70 H new ATOM 0 HG12 VAL A 47 5.970 3.695 3.500 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.281 3.506 5.130 1.00 0.70 H new ATOM 0 HG21 VAL A 47 2.910 1.787 4.210 1.00 0.83 H new ATOM 0 HG22 VAL A 47 2.729 3.149 5.341 1.00 0.83 H new ATOM 0 HG23 VAL A 47 1.766 3.100 3.845 1.00 0.83 H new ATOM 421 N LYS A 48 4.261 5.887 5.886 1.00 0.26 N ATOM 422 CA LYS A 48 4.000 6.293 7.260 1.00 0.30 C ATOM 423 C LYS A 48 3.271 7.638 7.322 1.00 0.28 C ATOM 424 O LYS A 48 2.478 7.876 8.235 1.00 0.33 O ATOM 425 CB LYS A 48 5.297 6.348 8.057 1.00 0.36 C ATOM 426 CG LYS A 48 5.354 5.311 9.168 1.00 0.53 C ATOM 427 CD LYS A 48 6.636 5.412 9.975 1.00 1.25 C ATOM 428 CE LYS A 48 7.200 4.036 10.295 1.00 1.79 C ATOM 429 NZ LYS A 48 8.279 4.099 11.314 1.00 2.40 N ATOM 0 H LYS A 48 5.246 5.875 5.622 1.00 0.26 H new ATOM 0 HA LYS A 48 3.347 5.544 7.707 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.139 6.196 7.382 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.410 7.342 8.489 1.00 0.36 H new ATOM 0 HG2 LYS A 48 4.498 5.441 9.830 1.00 0.53 H new ATOM 0 HG3 LYS A 48 5.275 4.313 8.737 1.00 0.53 H new ATOM 0 HD2 LYS A 48 7.374 5.989 9.418 1.00 1.25 H new ATOM 0 HD3 LYS A 48 6.443 5.952 10.902 1.00 1.25 H new ATOM 0 HE2 LYS A 48 6.399 3.391 10.655 1.00 1.79 H new ATOM 0 HE3 LYS A 48 7.589 3.583 9.383 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 8.310 3.204 11.842 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 9.193 4.255 10.843 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 8.090 4.882 11.971 1.00 2.40 H new ATOM 443 N THR A 49 3.527 8.511 6.354 1.00 0.23 N ATOM 444 CA THR A 49 2.818 9.786 6.289 1.00 0.24 C ATOM 445 C THR A 49 1.447 9.607 5.640 1.00 0.22 C ATOM 446 O THR A 49 0.476 10.243 6.048 1.00 0.24 O ATOM 447 CB THR A 49 3.624 10.857 5.532 1.00 0.28 C ATOM 448 OG1 THR A 49 4.919 10.989 6.128 1.00 0.55 O ATOM 449 CG2 THR A 49 2.916 12.204 5.564 1.00 0.52 C ATOM 0 H THR A 49 4.211 8.364 5.612 1.00 0.23 H new ATOM 0 HA THR A 49 2.687 10.132 7.314 1.00 0.24 H new ATOM 0 HB THR A 49 3.718 10.542 4.493 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.604 10.694 5.492 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.509 12.940 5.021 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.936 12.111 5.096 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.795 12.527 6.598 1.00 0.52 H new ATOM 457 N LEU A 50 1.374 8.733 4.638 1.00 0.20 N ATOM 458 CA LEU A 50 0.093 8.332 4.058 1.00 0.21 C ATOM 459 C LEU A 50 -0.803 7.799 5.172 1.00 0.20 C ATOM 460 O LEU A 50 -1.997 8.080 5.227 1.00 0.21 O ATOM 461 CB LEU A 50 0.312 7.238 2.995 1.00 0.24 C ATOM 462 CG LEU A 50 -0.540 7.334 1.717 1.00 0.27 C ATOM 463 CD1 LEU A 50 -0.923 5.945 1.228 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.790 8.167 1.949 1.00 0.29 C ATOM 0 H LEU A 50 2.187 8.289 4.211 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.378 9.191 3.580 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.363 7.251 2.705 1.00 0.24 H new ATOM 0 HB3 LEU A 50 0.121 6.270 3.459 1.00 0.24 H new ATOM 0 HG LEU A 50 0.061 7.827 0.953 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.525 6.031 0.324 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.020 5.374 1.010 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.498 5.433 2.000 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.371 8.216 1.028 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.392 7.709 2.734 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.505 9.174 2.252 1.00 0.29 H new ATOM 476 N TRP A 51 -0.179 7.044 6.063 1.00 0.22 N ATOM 477 CA TRP A 51 -0.838 6.471 7.225 1.00 0.24 C ATOM 478 C TRP A 51 -1.424 7.547 8.136 1.00 0.26 C ATOM 479 O TRP A 51 -2.503 7.377 8.693 1.00 0.29 O ATOM 480 CB TRP A 51 0.180 5.635 8.001 1.00 0.27 C ATOM 481 CG TRP A 51 -0.425 4.615 8.906 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.966 4.831 10.140 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.540 3.215 8.651 1.00 0.29 C ATOM 484 NE1 TRP A 51 -1.412 3.649 10.668 1.00 0.32 N ATOM 485 CE2 TRP A 51 -1.165 2.638 9.773 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.179 2.392 7.581 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.434 1.275 9.851 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.445 1.041 7.659 1.00 0.37 C ATOM 489 CH2 TRP A 51 -1.069 0.493 8.788 1.00 0.39 C ATOM 0 H TRP A 51 0.812 6.809 5.998 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.665 5.850 6.882 1.00 0.24 H new ATOM 0 HB2 TRP A 51 0.835 5.131 7.291 1.00 0.27 H new ATOM 0 HB3 TRP A 51 0.806 6.303 8.593 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -1.033 5.792 10.628 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.856 3.538 11.579 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.301 2.807 6.707 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.914 0.849 10.720 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.168 0.396 6.838 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -1.266 -0.568 8.820 1.00 0.39 H new ATOM 500 N LYS A 52 -0.718 8.662 8.279 1.00 0.27 N ATOM 501 CA LYS A 52 -1.104 9.691 9.240 1.00 0.29 C ATOM 502 C LYS A 52 -2.272 10.536 8.742 1.00 0.30 C ATOM 503 O LYS A 52 -2.785 11.391 9.470 1.00 0.45 O ATOM 504 CB LYS A 52 0.083 10.585 9.571 1.00 0.33 C ATOM 505 CG LYS A 52 0.995 10.005 10.639 1.00 0.48 C ATOM 506 CD LYS A 52 2.454 10.313 10.348 1.00 1.13 C ATOM 507 CE LYS A 52 3.219 10.664 11.613 1.00 1.74 C ATOM 508 NZ LYS A 52 3.391 12.132 11.776 1.00 2.24 N ATOM 0 H LYS A 52 0.123 8.878 7.744 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.432 9.177 10.144 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.662 10.758 8.664 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.284 11.555 9.905 1.00 0.33 H new ATOM 0 HG2 LYS A 52 0.723 10.412 11.613 1.00 0.48 H new ATOM 0 HG3 LYS A 52 0.853 8.926 10.694 1.00 0.48 H new ATOM 0 HD2 LYS A 52 2.919 9.451 9.869 1.00 1.13 H new ATOM 0 HD3 LYS A 52 2.517 11.142 9.643 1.00 1.13 H new ATOM 0 HE2 LYS A 52 2.691 10.264 12.478 1.00 1.74 H new ATOM 0 HE3 LYS A 52 4.198 10.186 11.588 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 3.918 12.325 12.652 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 3.918 12.512 10.964 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 2.457 12.587 11.827 1.00 2.24 H new ATOM 522 N HIS A 53 -2.695 10.307 7.509 1.00 0.25 N ATOM 523 CA HIS A 53 -3.852 11.006 6.974 1.00 0.26 C ATOM 524 C HIS A 53 -5.121 10.467 7.621 1.00 0.31 C ATOM 525 O HIS A 53 -5.337 9.258 7.672 1.00 0.35 O ATOM 526 CB HIS A 53 -3.932 10.854 5.456 1.00 0.24 C ATOM 527 CG HIS A 53 -4.594 12.013 4.773 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.829 11.890 4.189 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.144 13.277 4.587 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.102 13.068 3.660 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.110 13.943 3.878 1.00 0.39 N ATOM 0 H HIS A 53 -2.259 9.648 6.864 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.750 12.067 7.202 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.925 10.735 5.057 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.479 9.942 5.218 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.204 13.683 4.931 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.009 13.298 3.120 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.080 14.916 3.575 1.00 0.39 H new ATOM 539 N GLN A 54 -5.959 11.368 8.107 1.00 0.42 N ATOM 540 CA GLN A 54 -7.155 10.985 8.848 1.00 0.54 C ATOM 541 C GLN A 54 -8.240 10.465 7.913 1.00 0.42 C ATOM 542 O GLN A 54 -9.295 10.019 8.360 1.00 0.47 O ATOM 543 CB GLN A 54 -7.671 12.173 9.662 1.00 0.79 C ATOM 544 CG GLN A 54 -6.751 12.560 10.809 1.00 1.09 C ATOM 545 CD GLN A 54 -6.264 11.356 11.597 1.00 1.24 C ATOM 546 OE1 GLN A 54 -6.934 10.893 12.517 1.00 1.91 O ATOM 547 NE2 GLN A 54 -5.101 10.835 11.239 1.00 1.21 N ATOM 0 H GLN A 54 -5.834 12.375 8.002 1.00 0.42 H new ATOM 0 HA GLN A 54 -6.890 10.177 9.530 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.797 13.030 9.001 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -8.656 11.931 10.061 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -5.892 13.103 10.414 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -7.277 13.240 11.479 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -4.573 11.247 10.470 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -4.733 10.022 11.732 1.00 1.21 H new ATOM 556 N PHE A 55 -7.981 10.532 6.616 1.00 0.36 N ATOM 557 CA PHE A 55 -8.891 9.970 5.630 1.00 0.31 C ATOM 558 C PHE A 55 -8.379 8.611 5.168 1.00 0.27 C ATOM 559 O PHE A 55 -9.034 7.912 4.399 1.00 0.29 O ATOM 560 CB PHE A 55 -9.039 10.919 4.437 1.00 0.36 C ATOM 561 CG PHE A 55 -10.235 11.826 4.521 1.00 0.45 C ATOM 562 CD1 PHE A 55 -10.791 12.142 5.751 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.807 12.362 3.375 1.00 0.73 C ATOM 564 CE1 PHE A 55 -11.890 12.974 5.838 1.00 0.76 C ATOM 565 CE2 PHE A 55 -11.907 13.194 3.458 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.447 13.505 4.660 1.00 0.86 C ATOM 0 H PHE A 55 -7.148 10.970 6.222 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.871 9.841 6.088 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.139 11.528 4.357 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -9.107 10.329 3.523 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.359 11.733 6.652 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.388 12.126 2.408 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -12.317 13.215 6.800 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -12.340 13.600 2.556 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.304 14.160 4.715 1.00 0.86 H new ATOM 576 N ALA A 56 -7.208 8.235 5.664 1.00 0.25 N ATOM 577 CA ALA A 56 -6.582 6.973 5.293 1.00 0.25 C ATOM 578 C ALA A 56 -6.938 5.878 6.286 1.00 0.26 C ATOM 579 O ALA A 56 -6.385 4.777 6.246 1.00 0.28 O ATOM 580 CB ALA A 56 -5.074 7.138 5.212 1.00 0.28 C ATOM 0 H ALA A 56 -6.669 8.790 6.329 1.00 0.25 H new ATOM 0 HA ALA A 56 -6.959 6.681 4.313 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.618 6.188 4.934 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.830 7.891 4.462 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.690 7.454 6.182 1.00 0.28 H new ATOM 586 N TRP A 57 -7.885 6.178 7.162 1.00 0.30 N ATOM 587 CA TRP A 57 -8.256 5.259 8.230 1.00 0.34 C ATOM 588 C TRP A 57 -8.895 3.944 7.721 1.00 0.35 C ATOM 589 O TRP A 57 -8.691 2.900 8.342 1.00 0.40 O ATOM 590 CB TRP A 57 -9.157 5.953 9.271 1.00 0.37 C ATOM 591 CG TRP A 57 -10.540 6.281 8.790 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.921 7.392 8.104 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.725 5.498 8.980 1.00 0.42 C ATOM 594 NE1 TRP A 57 -12.265 7.344 7.841 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.783 6.194 8.369 1.00 0.46 C ATOM 596 CE3 TRP A 57 -11.995 4.277 9.600 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -14.087 5.711 8.359 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.290 3.797 9.592 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.323 4.514 8.974 1.00 0.58 C ATOM 0 H TRP A 57 -8.412 7.051 7.155 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.324 4.969 8.715 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.236 5.310 10.148 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.672 6.874 9.593 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -10.261 8.195 7.810 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.794 8.053 7.333 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -11.205 3.717 10.078 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.884 6.262 7.882 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.510 2.854 10.070 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.326 4.113 8.984 1.00 0.58 H new ATOM 610 N PRO A 58 -9.667 3.925 6.595 1.00 0.34 N ATOM 611 CA PRO A 58 -10.233 2.675 6.080 1.00 0.40 C ATOM 612 C PRO A 58 -9.167 1.772 5.466 1.00 0.36 C ATOM 613 O PRO A 58 -9.436 0.628 5.112 1.00 0.45 O ATOM 614 CB PRO A 58 -11.230 3.127 5.003 1.00 0.47 C ATOM 615 CG PRO A 58 -11.374 4.599 5.172 1.00 0.40 C ATOM 616 CD PRO A 58 -10.080 5.070 5.760 1.00 0.32 C ATOM 0 HA PRO A 58 -10.693 2.088 6.875 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -10.865 2.882 4.006 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.190 2.624 5.123 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.569 5.085 4.216 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.211 4.837 5.828 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.343 5.295 4.989 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.210 5.976 6.351 1.00 0.32 H new ATOM 624 N PHE A 59 -7.950 2.293 5.358 1.00 0.31 N ATOM 625 CA PHE A 59 -6.842 1.542 4.788 1.00 0.31 C ATOM 626 C PHE A 59 -5.887 1.098 5.890 1.00 0.31 C ATOM 627 O PHE A 59 -4.760 0.687 5.626 1.00 0.52 O ATOM 628 CB PHE A 59 -6.094 2.391 3.757 1.00 0.36 C ATOM 629 CG PHE A 59 -6.717 2.389 2.388 1.00 0.47 C ATOM 630 CD1 PHE A 59 -6.936 1.201 1.709 1.00 0.92 C ATOM 631 CD2 PHE A 59 -7.073 3.581 1.779 1.00 0.68 C ATOM 632 CE1 PHE A 59 -7.498 1.204 0.445 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.637 3.589 0.518 1.00 0.87 C ATOM 634 CZ PHE A 59 -7.849 2.400 -0.151 1.00 0.95 C ATOM 0 H PHE A 59 -7.707 3.237 5.660 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.242 0.660 4.289 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.041 3.418 4.118 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -5.069 2.028 3.678 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -6.665 0.263 2.171 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -6.908 4.515 2.296 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -7.662 0.272 -0.076 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -7.912 4.525 0.055 1.00 0.87 H new ATOM 0 HZ PHE A 59 -8.288 2.405 -1.138 1.00 0.95 H new ATOM 644 N TYR A 60 -6.350 1.194 7.130 1.00 0.35 N ATOM 645 CA TYR A 60 -5.555 0.789 8.282 1.00 0.39 C ATOM 646 C TYR A 60 -5.639 -0.719 8.492 1.00 0.45 C ATOM 647 O TYR A 60 -4.899 -1.288 9.295 1.00 0.63 O ATOM 648 CB TYR A 60 -6.063 1.480 9.545 1.00 0.46 C ATOM 649 CG TYR A 60 -5.636 2.923 9.716 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.763 3.544 8.829 1.00 0.32 C ATOM 651 CD2 TYR A 60 -6.118 3.665 10.786 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.386 4.862 9.009 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.746 4.981 10.970 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.882 5.575 10.081 1.00 0.45 C ATOM 655 OH TYR A 60 -4.510 6.886 10.267 1.00 0.58 O ATOM 0 H TYR A 60 -7.277 1.551 7.364 1.00 0.35 H new ATOM 0 HA TYR A 60 -4.521 1.075 8.089 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -7.152 1.439 9.547 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -5.721 0.913 10.411 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -4.374 2.989 7.988 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -6.797 3.203 11.488 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.706 5.331 8.313 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -6.132 5.542 11.809 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.762 7.101 9.672 1.00 0.58 H new ATOM 665 N GLN A 61 -6.557 -1.358 7.787 1.00 0.46 N ATOM 666 CA GLN A 61 -6.800 -2.776 7.977 1.00 0.55 C ATOM 667 C GLN A 61 -6.608 -3.542 6.678 1.00 0.56 C ATOM 668 O GLN A 61 -7.225 -3.221 5.661 1.00 0.57 O ATOM 669 CB GLN A 61 -8.210 -3.004 8.523 1.00 0.65 C ATOM 670 CG GLN A 61 -8.449 -2.326 9.863 1.00 0.71 C ATOM 671 CD GLN A 61 -9.717 -1.499 9.889 1.00 1.09 C ATOM 672 OE1 GLN A 61 -10.821 -2.037 9.819 1.00 1.57 O ATOM 673 NE2 GLN A 61 -9.572 -0.187 10.005 1.00 1.63 N ATOM 0 H GLN A 61 -7.145 -0.918 7.079 1.00 0.46 H new ATOM 0 HA GLN A 61 -6.076 -3.150 8.701 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -8.937 -2.633 7.800 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -8.383 -4.075 8.629 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -8.500 -3.085 10.644 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.599 -1.685 10.097 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -8.638 0.220 10.060 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -10.394 0.416 10.039 1.00 1.63 H new ATOM 682 N PRO A 62 -5.743 -4.565 6.706 1.00 0.63 N ATOM 683 CA PRO A 62 -5.442 -5.380 5.530 1.00 0.68 C ATOM 684 C PRO A 62 -6.604 -6.284 5.134 1.00 0.69 C ATOM 685 O PRO A 62 -7.405 -6.694 5.982 1.00 0.77 O ATOM 686 CB PRO A 62 -4.240 -6.217 5.975 1.00 0.78 C ATOM 687 CG PRO A 62 -4.341 -6.287 7.458 1.00 0.87 C ATOM 688 CD PRO A 62 -4.981 -5.000 7.895 1.00 0.73 C ATOM 0 HA PRO A 62 -5.249 -4.766 4.650 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -4.267 -7.212 5.531 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -3.302 -5.755 5.665 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -4.939 -7.144 7.768 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -3.356 -6.405 7.910 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -5.633 -5.149 8.756 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -4.235 -4.260 8.185 1.00 0.73 H new ATOM 696 N VAL A 63 -6.702 -6.589 3.846 1.00 0.66 N ATOM 697 CA VAL A 63 -7.731 -7.495 3.363 1.00 0.69 C ATOM 698 C VAL A 63 -7.401 -8.933 3.756 1.00 0.77 C ATOM 699 O VAL A 63 -6.666 -9.645 3.072 1.00 0.88 O ATOM 700 CB VAL A 63 -7.936 -7.376 1.835 1.00 0.73 C ATOM 701 CG1 VAL A 63 -8.746 -8.545 1.293 1.00 0.82 C ATOM 702 CG2 VAL A 63 -8.637 -6.072 1.497 1.00 0.75 C ATOM 0 H VAL A 63 -6.084 -6.223 3.122 1.00 0.66 H new ATOM 0 HA VAL A 63 -8.670 -7.208 3.836 1.00 0.69 H new ATOM 0 HB VAL A 63 -6.952 -7.392 1.367 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -8.873 -8.432 0.216 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -8.222 -9.478 1.501 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -9.724 -8.564 1.773 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -8.775 -6.002 0.418 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -9.609 -6.043 1.989 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -8.031 -5.234 1.841 1.00 0.75 H new ATOM 712 N ASP A 64 -7.928 -9.327 4.905 1.00 0.79 N ATOM 713 CA ASP A 64 -7.804 -10.692 5.398 1.00 0.93 C ATOM 714 C ASP A 64 -8.941 -11.538 4.828 1.00 1.00 C ATOM 715 O ASP A 64 -8.940 -12.764 4.930 1.00 1.51 O ATOM 716 CB ASP A 64 -7.826 -10.685 6.938 1.00 1.02 C ATOM 717 CG ASP A 64 -8.238 -12.005 7.562 1.00 1.29 C ATOM 718 OD1 ASP A 64 -7.423 -12.949 7.569 1.00 1.42 O ATOM 719 OD2 ASP A 64 -9.373 -12.090 8.077 1.00 1.85 O ATOM 0 H ASP A 64 -8.454 -8.710 5.523 1.00 0.79 H new ATOM 0 HA ASP A 64 -6.858 -11.127 5.075 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -6.834 -10.418 7.303 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -8.510 -9.907 7.277 1.00 1.02 H new ATOM 724 N ALA A 65 -9.896 -10.839 4.205 1.00 0.94 N ATOM 725 CA ALA A 65 -11.086 -11.441 3.592 1.00 0.94 C ATOM 726 C ALA A 65 -12.117 -11.848 4.640 1.00 1.03 C ATOM 727 O ALA A 65 -13.299 -11.570 4.484 1.00 1.29 O ATOM 728 CB ALA A 65 -10.736 -12.618 2.692 1.00 0.96 C ATOM 0 H ALA A 65 -9.864 -9.824 4.111 1.00 0.94 H new ATOM 0 HA ALA A 65 -11.532 -10.670 2.964 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -11.648 -13.031 2.261 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -10.077 -12.281 1.892 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -10.232 -13.387 3.278 1.00 0.96 H new ATOM 734 N ILE A 66 -11.674 -12.487 5.710 1.00 1.03 N ATOM 735 CA ILE A 66 -12.586 -12.909 6.764 1.00 1.14 C ATOM 736 C ILE A 66 -12.923 -11.740 7.683 1.00 1.13 C ATOM 737 O ILE A 66 -14.094 -11.431 7.905 1.00 1.19 O ATOM 738 CB ILE A 66 -11.999 -14.067 7.605 1.00 1.24 C ATOM 739 CG1 ILE A 66 -11.565 -15.225 6.698 1.00 1.35 C ATOM 740 CG2 ILE A 66 -13.015 -14.544 8.636 1.00 1.37 C ATOM 741 CD1 ILE A 66 -12.700 -15.841 5.905 1.00 1.89 C ATOM 0 H ILE A 66 -10.695 -12.724 5.873 1.00 1.03 H new ATOM 0 HA ILE A 66 -13.493 -13.265 6.275 1.00 1.14 H new ATOM 0 HB ILE A 66 -11.120 -13.699 8.133 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -10.804 -14.866 6.005 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -11.100 -15.998 7.310 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -12.586 -15.359 9.219 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -13.274 -13.719 9.300 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -13.912 -14.895 8.127 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -12.314 -16.652 5.288 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -13.452 -16.232 6.590 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -13.151 -15.082 5.266 1.00 1.89 H new ATOM 753 N LYS A 67 -11.882 -11.088 8.194 1.00 1.10 N ATOM 754 CA LYS A 67 -12.031 -9.977 9.132 1.00 1.15 C ATOM 755 C LYS A 67 -12.961 -8.888 8.599 1.00 1.13 C ATOM 756 O LYS A 67 -13.919 -8.494 9.265 1.00 1.27 O ATOM 757 CB LYS A 67 -10.666 -9.376 9.440 1.00 1.21 C ATOM 758 CG LYS A 67 -10.434 -9.089 10.916 1.00 1.50 C ATOM 759 CD LYS A 67 -9.346 -9.985 11.486 1.00 1.90 C ATOM 760 CE LYS A 67 -9.798 -11.433 11.560 1.00 2.46 C ATOM 761 NZ LYS A 67 -8.907 -12.338 10.783 1.00 2.99 N ATOM 0 H LYS A 67 -10.913 -11.314 7.971 1.00 1.10 H new ATOM 0 HA LYS A 67 -12.480 -10.377 10.041 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -9.892 -10.058 9.087 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -10.554 -8.449 8.878 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -10.153 -8.044 11.046 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -11.361 -9.241 11.469 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -8.452 -9.913 10.866 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -9.072 -9.637 12.482 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -9.819 -11.753 12.602 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -10.817 -11.514 11.181 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -8.846 -13.259 11.261 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -9.294 -12.469 9.827 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -7.958 -11.918 10.717 1.00 2.99 H new ATOM 775 N LEU A 68 -12.678 -8.413 7.394 1.00 1.02 N ATOM 776 CA LEU A 68 -13.453 -7.331 6.794 1.00 1.03 C ATOM 777 C LEU A 68 -14.617 -7.879 5.971 1.00 1.05 C ATOM 778 O LEU A 68 -15.387 -7.118 5.389 1.00 1.10 O ATOM 779 CB LEU A 68 -12.550 -6.459 5.921 1.00 1.02 C ATOM 780 CG LEU A 68 -12.637 -4.954 6.194 1.00 1.07 C ATOM 781 CD1 LEU A 68 -12.303 -4.649 7.645 1.00 1.61 C ATOM 782 CD2 LEU A 68 -11.711 -4.188 5.260 1.00 1.66 C ATOM 0 H LEU A 68 -11.917 -8.759 6.810 1.00 1.02 H new ATOM 0 HA LEU A 68 -13.866 -6.722 7.598 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -11.517 -6.779 6.061 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -12.800 -6.638 4.875 1.00 1.02 H new ATOM 0 HG LEU A 68 -13.661 -4.632 6.006 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -12.371 -3.575 7.816 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -13.008 -5.166 8.297 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -11.290 -4.988 7.864 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -11.786 -3.121 5.468 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -10.684 -4.517 5.416 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -11.999 -4.377 4.226 1.00 1.66 H new ATOM 794 N ASN A 69 -14.730 -9.205 5.943 1.00 1.06 N ATOM 795 CA ASN A 69 -15.803 -9.900 5.229 1.00 1.12 C ATOM 796 C ASN A 69 -15.836 -9.535 3.744 1.00 1.09 C ATOM 797 O ASN A 69 -16.855 -9.080 3.220 1.00 1.15 O ATOM 798 CB ASN A 69 -17.152 -9.620 5.882 1.00 1.24 C ATOM 799 CG ASN A 69 -18.076 -10.821 5.822 1.00 1.34 C ATOM 800 OD1 ASN A 69 -19.144 -10.775 5.208 1.00 1.74 O ATOM 801 ND2 ASN A 69 -17.673 -11.903 6.465 1.00 1.55 N ATOM 0 H ASN A 69 -14.079 -9.831 6.416 1.00 1.06 H new ATOM 0 HA ASN A 69 -15.596 -10.968 5.294 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -16.998 -9.333 6.922 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -17.626 -8.774 5.385 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -18.253 -12.742 6.465 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -16.782 -11.899 6.961 1.00 1.55 H new ATOM 808 N LEU A 70 -14.712 -9.752 3.074 1.00 1.04 N ATOM 809 CA LEU A 70 -14.596 -9.495 1.645 1.00 1.01 C ATOM 810 C LEU A 70 -14.208 -10.777 0.903 1.00 0.99 C ATOM 811 O LEU A 70 -13.044 -10.972 0.554 1.00 0.95 O ATOM 812 CB LEU A 70 -13.562 -8.397 1.382 1.00 1.01 C ATOM 813 CG LEU A 70 -13.585 -7.239 2.371 1.00 1.13 C ATOM 814 CD1 LEU A 70 -12.307 -6.438 2.253 1.00 1.61 C ATOM 815 CD2 LEU A 70 -14.798 -6.355 2.136 1.00 1.54 C ATOM 0 H LEU A 70 -13.859 -10.109 3.503 1.00 1.04 H new ATOM 0 HA LEU A 70 -15.564 -9.157 1.275 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -12.568 -8.845 1.393 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -13.722 -8.001 0.379 1.00 1.01 H new ATOM 0 HG LEU A 70 -13.655 -7.641 3.382 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -12.329 -5.611 2.963 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -11.454 -7.080 2.471 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -12.216 -6.045 1.240 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -14.795 -5.534 2.853 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -14.764 -5.952 1.124 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -15.707 -6.943 2.262 1.00 1.54 H new ATOM 827 N PRO A 71 -15.182 -11.673 0.659 1.00 1.06 N ATOM 828 CA PRO A 71 -14.919 -12.976 0.041 1.00 1.11 C ATOM 829 C PRO A 71 -14.737 -12.896 -1.474 1.00 1.05 C ATOM 830 O PRO A 71 -13.899 -13.596 -2.048 1.00 1.09 O ATOM 831 CB PRO A 71 -16.171 -13.780 0.389 1.00 1.28 C ATOM 832 CG PRO A 71 -17.260 -12.771 0.521 1.00 1.30 C ATOM 833 CD PRO A 71 -16.614 -11.488 0.974 1.00 1.18 C ATOM 0 HA PRO A 71 -13.989 -13.415 0.403 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -16.401 -14.508 -0.390 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -16.036 -14.337 1.316 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -17.773 -12.630 -0.430 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -18.008 -13.102 1.241 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -17.029 -10.627 0.451 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -16.769 -11.319 2.040 1.00 1.18 H new ATOM 841 N ASP A 72 -15.511 -12.035 -2.123 1.00 1.04 N ATOM 842 CA ASP A 72 -15.449 -11.894 -3.573 1.00 1.07 C ATOM 843 C ASP A 72 -14.367 -10.897 -3.969 1.00 0.94 C ATOM 844 O ASP A 72 -14.083 -10.697 -5.151 1.00 0.95 O ATOM 845 CB ASP A 72 -16.810 -11.472 -4.144 1.00 1.24 C ATOM 846 CG ASP A 72 -17.268 -10.096 -3.687 1.00 1.49 C ATOM 847 OD1 ASP A 72 -16.789 -9.606 -2.640 1.00 1.97 O ATOM 848 OD2 ASP A 72 -18.137 -9.504 -4.367 1.00 1.93 O ATOM 0 H ASP A 72 -16.189 -11.424 -1.668 1.00 1.04 H new ATOM 0 HA ASP A 72 -15.193 -12.866 -3.996 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -16.756 -11.484 -5.233 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -17.559 -12.209 -3.854 1.00 1.24 H new ATOM 853 N TYR A 73 -13.755 -10.294 -2.960 1.00 0.87 N ATOM 854 CA TYR A 73 -12.637 -9.381 -3.154 1.00 0.79 C ATOM 855 C TYR A 73 -11.490 -10.086 -3.869 1.00 0.74 C ATOM 856 O TYR A 73 -10.849 -9.521 -4.753 1.00 0.73 O ATOM 857 CB TYR A 73 -12.156 -8.876 -1.797 1.00 0.78 C ATOM 858 CG TYR A 73 -11.797 -7.411 -1.764 1.00 0.73 C ATOM 859 CD1 TYR A 73 -12.775 -6.435 -1.640 1.00 0.88 C ATOM 860 CD2 TYR A 73 -10.472 -7.007 -1.843 1.00 0.80 C ATOM 861 CE1 TYR A 73 -12.443 -5.094 -1.599 1.00 0.97 C ATOM 862 CE2 TYR A 73 -10.132 -5.672 -1.800 1.00 0.90 C ATOM 863 CZ TYR A 73 -11.120 -4.720 -1.678 1.00 0.94 C ATOM 864 OH TYR A 73 -10.782 -3.389 -1.641 1.00 1.13 O ATOM 0 H TYR A 73 -14.019 -10.424 -1.983 1.00 0.87 H new ATOM 0 HA TYR A 73 -12.969 -8.542 -3.766 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -12.935 -9.063 -1.058 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -11.284 -9.457 -1.496 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -13.812 -6.728 -1.574 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -9.695 -7.750 -1.940 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -13.215 -4.345 -1.506 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -9.096 -5.374 -1.862 1.00 0.90 H new ATOM 0 HH TYR A 73 -10.312 -3.148 -2.466 1.00 1.13 H new ATOM 874 N HIS A 74 -11.275 -11.342 -3.493 1.00 0.79 N ATOM 875 CA HIS A 74 -10.175 -12.143 -4.018 1.00 0.80 C ATOM 876 C HIS A 74 -10.476 -12.648 -5.426 1.00 0.85 C ATOM 877 O HIS A 74 -9.674 -13.370 -6.022 1.00 0.91 O ATOM 878 CB HIS A 74 -9.916 -13.339 -3.096 1.00 0.89 C ATOM 879 CG HIS A 74 -9.188 -12.996 -1.832 1.00 0.79 C ATOM 880 ND1 HIS A 74 -8.584 -11.776 -1.656 1.00 0.91 N ATOM 881 CD2 HIS A 74 -8.997 -13.747 -0.722 1.00 0.91 C ATOM 882 CE1 HIS A 74 -8.045 -11.809 -0.452 1.00 0.78 C ATOM 883 NE2 HIS A 74 -8.268 -12.984 0.153 1.00 0.82 N ATOM 0 H HIS A 74 -11.858 -11.833 -2.816 1.00 0.79 H new ATOM 0 HA HIS A 74 -9.291 -11.507 -4.062 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -10.871 -13.798 -2.839 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -9.340 -14.086 -3.642 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -9.351 -14.754 -0.557 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -7.494 -10.992 -0.010 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -7.956 -13.258 1.085 1.00 0.82 H new ATOM 891 N LYS A 75 -11.640 -12.284 -5.948 1.00 0.89 N ATOM 892 CA LYS A 75 -12.051 -12.731 -7.272 1.00 0.97 C ATOM 893 C LYS A 75 -12.038 -11.578 -8.269 1.00 0.92 C ATOM 894 O LYS A 75 -11.611 -11.740 -9.414 1.00 1.11 O ATOM 895 CB LYS A 75 -13.446 -13.352 -7.209 1.00 1.09 C ATOM 896 CG LYS A 75 -13.512 -14.619 -6.371 1.00 1.20 C ATOM 897 CD LYS A 75 -14.647 -15.522 -6.819 1.00 1.68 C ATOM 898 CE LYS A 75 -14.511 -16.926 -6.246 1.00 2.05 C ATOM 899 NZ LYS A 75 -14.794 -17.974 -7.264 1.00 2.86 N ATOM 0 H LYS A 75 -12.315 -11.682 -5.476 1.00 0.89 H new ATOM 0 HA LYS A 75 -11.339 -13.483 -7.611 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -14.142 -12.620 -6.800 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -13.780 -13.579 -8.222 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -12.567 -15.156 -6.446 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -13.647 -14.356 -5.322 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -15.599 -15.092 -6.506 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -14.663 -15.573 -7.908 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -13.502 -17.062 -5.856 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -15.196 -17.042 -5.406 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -14.690 -18.914 -6.832 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -15.765 -17.861 -7.618 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -14.124 -17.880 -8.054 1.00 2.86 H new ATOM 913 N ILE A 76 -12.507 -10.419 -7.835 1.00 0.78 N ATOM 914 CA ILE A 76 -12.575 -9.251 -8.705 1.00 0.77 C ATOM 915 C ILE A 76 -11.256 -8.480 -8.694 1.00 0.69 C ATOM 916 O ILE A 76 -10.696 -8.165 -9.750 1.00 0.78 O ATOM 917 CB ILE A 76 -13.730 -8.310 -8.291 1.00 0.82 C ATOM 918 CG1 ILE A 76 -15.069 -9.045 -8.380 1.00 0.94 C ATOM 919 CG2 ILE A 76 -13.754 -7.062 -9.165 1.00 0.87 C ATOM 920 CD1 ILE A 76 -15.997 -8.758 -7.220 1.00 1.00 C ATOM 0 H ILE A 76 -12.847 -10.260 -6.886 1.00 0.78 H new ATOM 0 HA ILE A 76 -12.764 -9.613 -9.716 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.565 -8.000 -7.259 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -15.566 -8.766 -9.309 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -14.882 -10.118 -8.428 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -14.575 -6.416 -8.854 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -12.811 -6.526 -9.060 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -13.893 -7.350 -10.207 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -16.926 -9.313 -7.351 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.520 -9.063 -6.289 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -16.214 -7.691 -7.183 1.00 1.00 H new ATOM 932 N ILE A 77 -10.754 -8.191 -7.502 1.00 0.58 N ATOM 933 CA ILE A 77 -9.527 -7.421 -7.363 1.00 0.53 C ATOM 934 C ILE A 77 -8.311 -8.319 -7.573 1.00 0.64 C ATOM 935 O ILE A 77 -8.228 -9.407 -7.007 1.00 0.75 O ATOM 936 CB ILE A 77 -9.452 -6.724 -5.981 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.556 -5.668 -5.855 1.00 0.47 C ATOM 938 CG2 ILE A 77 -8.090 -6.078 -5.767 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.637 -4.724 -7.038 1.00 0.50 C ATOM 0 H ILE A 77 -11.177 -8.478 -6.619 1.00 0.58 H new ATOM 0 HA ILE A 77 -9.529 -6.645 -8.128 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.596 -7.485 -5.214 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.516 -6.171 -5.737 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.388 -5.086 -4.949 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -8.065 -5.596 -4.790 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.314 -6.842 -5.815 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.915 -5.333 -6.543 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -11.441 -4.006 -6.876 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.692 -4.192 -7.145 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.837 -5.294 -7.945 1.00 0.50 H new ATOM 951 N LYS A 78 -7.381 -7.857 -8.403 1.00 0.74 N ATOM 952 CA LYS A 78 -6.218 -8.653 -8.777 1.00 0.90 C ATOM 953 C LYS A 78 -5.292 -8.871 -7.585 1.00 0.73 C ATOM 954 O LYS A 78 -4.985 -10.008 -7.227 1.00 0.72 O ATOM 955 CB LYS A 78 -5.457 -7.976 -9.919 1.00 1.16 C ATOM 956 CG LYS A 78 -5.948 -8.387 -11.300 1.00 1.45 C ATOM 957 CD LYS A 78 -6.594 -7.225 -12.037 1.00 1.67 C ATOM 958 CE LYS A 78 -8.064 -7.075 -11.673 1.00 1.72 C ATOM 959 NZ LYS A 78 -8.898 -8.159 -12.253 1.00 1.99 N ATOM 0 H LYS A 78 -7.411 -6.931 -8.831 1.00 0.74 H new ATOM 0 HA LYS A 78 -6.572 -9.628 -9.113 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -5.549 -6.895 -9.816 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -4.397 -8.216 -9.832 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -5.111 -8.768 -11.885 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -6.667 -9.201 -11.203 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -6.064 -6.303 -11.798 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -6.499 -7.378 -13.112 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -8.170 -7.078 -10.588 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -8.428 -6.110 -12.026 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -9.426 -7.791 -13.070 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -8.286 -8.942 -12.560 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -9.567 -8.504 -11.535 1.00 1.99 H new ATOM 973 N ASN A 79 -4.845 -7.783 -6.978 1.00 0.67 N ATOM 974 CA ASN A 79 -3.981 -7.866 -5.807 1.00 0.56 C ATOM 975 C ASN A 79 -4.619 -7.134 -4.634 1.00 0.54 C ATOM 976 O ASN A 79 -4.421 -5.932 -4.466 1.00 0.52 O ATOM 977 CB ASN A 79 -2.586 -7.282 -6.089 1.00 0.60 C ATOM 978 CG ASN A 79 -2.203 -7.310 -7.560 1.00 1.09 C ATOM 979 OD1 ASN A 79 -2.173 -6.275 -8.228 1.00 2.05 O ATOM 980 ND2 ASN A 79 -1.903 -8.494 -8.074 1.00 1.28 N ATOM 0 H ASN A 79 -5.065 -6.832 -7.275 1.00 0.67 H new ATOM 0 HA ASN A 79 -3.860 -8.920 -5.558 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -2.553 -6.252 -5.733 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -1.845 -7.841 -5.518 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -1.636 -8.571 -9.055 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -1.940 -9.328 -7.488 1.00 1.28 H new ATOM 987 N PRO A 80 -5.427 -7.843 -3.831 1.00 0.58 N ATOM 988 CA PRO A 80 -6.067 -7.276 -2.635 1.00 0.60 C ATOM 989 C PRO A 80 -5.047 -6.786 -1.607 1.00 0.55 C ATOM 990 O PRO A 80 -4.580 -7.551 -0.759 1.00 0.64 O ATOM 991 CB PRO A 80 -6.873 -8.453 -2.072 1.00 0.70 C ATOM 992 CG PRO A 80 -7.056 -9.379 -3.221 1.00 0.89 C ATOM 993 CD PRO A 80 -5.809 -9.251 -4.039 1.00 0.67 C ATOM 0 HA PRO A 80 -6.673 -6.402 -2.872 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -6.342 -8.939 -1.254 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -7.833 -8.121 -1.676 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -7.198 -10.404 -2.880 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -7.937 -9.112 -3.804 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -5.031 -9.936 -3.701 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -5.991 -9.470 -5.091 1.00 0.67 H new ATOM 1001 N MET A 81 -4.696 -5.514 -1.707 1.00 0.46 N ATOM 1002 CA MET A 81 -3.728 -4.898 -0.810 1.00 0.43 C ATOM 1003 C MET A 81 -4.252 -3.560 -0.332 1.00 0.43 C ATOM 1004 O MET A 81 -5.222 -3.028 -0.877 1.00 0.55 O ATOM 1005 CB MET A 81 -2.377 -4.718 -1.512 1.00 0.44 C ATOM 1006 CG MET A 81 -1.839 -5.991 -2.148 1.00 0.74 C ATOM 1007 SD MET A 81 -0.383 -6.641 -1.301 1.00 0.82 S ATOM 1008 CE MET A 81 -1.087 -8.061 -0.467 1.00 0.70 C ATOM 0 H MET A 81 -5.073 -4.879 -2.411 1.00 0.46 H new ATOM 0 HA MET A 81 -3.581 -5.553 0.049 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.478 -3.953 -2.282 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.649 -4.349 -0.789 1.00 0.44 H new ATOM 0 HG2 MET A 81 -2.622 -6.750 -2.148 1.00 0.74 H new ATOM 0 HG3 MET A 81 -1.588 -5.792 -3.190 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.322 -8.540 0.144 1.00 0.70 H new ATOM 0 HE2 MET A 81 -1.911 -7.738 0.170 1.00 0.70 H new ATOM 0 HE3 MET A 81 -1.457 -8.771 -1.207 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.597 -3.028 0.677 1.00 0.37 N ATOM 1019 CA ASP A 82 -4.052 -1.823 1.344 1.00 0.36 C ATOM 1020 C ASP A 82 -2.852 -0.969 1.737 1.00 0.35 C ATOM 1021 O ASP A 82 -2.099 -0.521 0.878 1.00 0.53 O ATOM 1022 CB ASP A 82 -4.891 -2.193 2.576 1.00 0.38 C ATOM 1023 CG ASP A 82 -4.194 -3.193 3.484 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -4.115 -4.377 3.103 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.749 -2.807 4.589 1.00 1.32 O ATOM 0 H ASP A 82 -2.735 -3.416 1.059 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.679 -1.245 0.665 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -5.115 -1.289 3.143 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.844 -2.609 2.249 1.00 0.38 H new ATOM 1030 N MET A 83 -2.651 -0.763 3.028 1.00 0.27 N ATOM 1031 CA MET A 83 -1.508 0.001 3.499 1.00 0.26 C ATOM 1032 C MET A 83 -0.753 -0.779 4.559 1.00 0.25 C ATOM 1033 O MET A 83 0.445 -0.574 4.764 1.00 0.26 O ATOM 1034 CB MET A 83 -1.942 1.355 4.051 1.00 0.31 C ATOM 1035 CG MET A 83 -1.246 2.528 3.381 1.00 0.43 C ATOM 1036 SD MET A 83 -1.028 3.935 4.488 1.00 0.80 S ATOM 1037 CE MET A 83 -2.730 4.301 4.906 1.00 0.38 C ATOM 0 H MET A 83 -3.262 -1.113 3.766 1.00 0.27 H new ATOM 0 HA MET A 83 -0.847 0.176 2.650 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.020 1.462 3.927 1.00 0.31 H new ATOM 0 HB3 MET A 83 -1.740 1.385 5.122 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.272 2.205 3.014 1.00 0.43 H new ATOM 0 HG3 MET A 83 -1.826 2.841 2.513 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.845 5.375 5.054 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.382 3.974 4.096 1.00 0.38 H new ATOM 0 HE3 MET A 83 -3.000 3.777 5.823 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.447 -1.710 5.200 1.00 0.26 N ATOM 1048 CA GLY A 84 -0.839 -2.488 6.249 1.00 0.29 C ATOM 1049 C GLY A 84 -0.055 -3.638 5.674 1.00 0.26 C ATOM 1050 O GLY A 84 0.861 -4.162 6.307 1.00 0.32 O ATOM 0 H GLY A 84 -2.423 -1.937 5.008 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.181 -1.854 6.844 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.609 -2.867 6.921 1.00 0.29 H new ATOM 1054 N THR A 85 -0.423 -4.024 4.463 1.00 0.24 N ATOM 1055 CA THR A 85 0.270 -5.077 3.753 1.00 0.25 C ATOM 1056 C THR A 85 1.532 -4.539 3.100 1.00 0.26 C ATOM 1057 O THR A 85 2.586 -5.179 3.142 1.00 0.32 O ATOM 1058 CB THR A 85 -0.646 -5.705 2.686 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.596 -4.727 2.232 1.00 0.95 O ATOM 1060 CG2 THR A 85 -1.383 -6.911 3.245 1.00 0.84 C ATOM 0 H THR A 85 -1.206 -3.617 3.951 1.00 0.24 H new ATOM 0 HA THR A 85 0.547 -5.846 4.474 1.00 0.25 H new ATOM 0 HB THR A 85 -0.028 -6.036 1.851 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.441 -4.843 2.715 1.00 0.95 H new ATOM 0 HG21 THR A 85 -2.023 -7.337 2.472 1.00 0.84 H new ATOM 0 HG22 THR A 85 -0.661 -7.660 3.571 1.00 0.84 H new ATOM 0 HG23 THR A 85 -1.994 -6.603 4.093 1.00 0.84 H new ATOM 1068 N ILE A 86 1.421 -3.351 2.519 1.00 0.27 N ATOM 1069 CA ILE A 86 2.566 -2.672 1.933 1.00 0.31 C ATOM 1070 C ILE A 86 3.645 -2.456 2.988 1.00 0.29 C ATOM 1071 O ILE A 86 4.805 -2.827 2.800 1.00 0.32 O ATOM 1072 CB ILE A 86 2.149 -1.313 1.331 1.00 0.36 C ATOM 1073 CG1 ILE A 86 1.406 -1.526 0.013 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.355 -0.409 1.119 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.647 -0.306 -0.446 1.00 0.97 C ATOM 0 H ILE A 86 0.544 -2.837 2.442 1.00 0.27 H new ATOM 0 HA ILE A 86 2.962 -3.300 1.135 1.00 0.31 H new ATOM 0 HB ILE A 86 1.482 -0.820 2.039 1.00 0.36 H new ATOM 0 HG12 ILE A 86 2.122 -1.812 -0.758 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.710 -2.357 0.126 1.00 0.55 H new ATOM 0 HG21 ILE A 86 3.028 0.540 0.694 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.847 -0.228 2.075 1.00 0.36 H new ATOM 0 HG23 ILE A 86 4.055 -0.890 0.436 1.00 0.36 H new ATOM 0 HD11 ILE A 86 0.142 -0.524 -1.387 1.00 0.97 H new ATOM 0 HD12 ILE A 86 -0.092 -0.032 0.307 1.00 0.97 H new ATOM 0 HD13 ILE A 86 1.342 0.522 -0.590 1.00 0.97 H new ATOM 1087 N LYS A 87 3.244 -1.887 4.121 1.00 0.29 N ATOM 1088 CA LYS A 87 4.180 -1.601 5.194 1.00 0.34 C ATOM 1089 C LYS A 87 4.732 -2.890 5.804 1.00 0.34 C ATOM 1090 O LYS A 87 5.830 -2.893 6.354 1.00 0.38 O ATOM 1091 CB LYS A 87 3.522 -0.723 6.269 1.00 0.41 C ATOM 1092 CG LYS A 87 2.751 -1.495 7.330 1.00 0.49 C ATOM 1093 CD LYS A 87 3.344 -1.286 8.712 1.00 0.69 C ATOM 1094 CE LYS A 87 2.614 -2.111 9.756 1.00 1.08 C ATOM 1095 NZ LYS A 87 3.538 -2.648 10.788 1.00 1.15 N ATOM 0 H LYS A 87 2.280 -1.617 4.316 1.00 0.29 H new ATOM 0 HA LYS A 87 5.019 -1.049 4.770 1.00 0.34 H new ATOM 0 HB2 LYS A 87 4.295 -0.130 6.759 1.00 0.41 H new ATOM 0 HB3 LYS A 87 2.843 -0.023 5.782 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.709 -1.176 7.328 1.00 0.49 H new ATOM 0 HG3 LYS A 87 2.759 -2.557 7.086 1.00 0.49 H new ATOM 0 HD2 LYS A 87 4.399 -1.559 8.702 1.00 0.69 H new ATOM 0 HD3 LYS A 87 3.290 -0.230 8.977 1.00 0.69 H new ATOM 0 HE2 LYS A 87 1.852 -1.496 10.236 1.00 1.08 H new ATOM 0 HE3 LYS A 87 2.096 -2.937 9.268 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 3.031 -2.744 11.691 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 3.890 -3.579 10.488 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 4.340 -1.997 10.909 1.00 1.15 H new ATOM 1109 N LYS A 88 3.983 -3.989 5.685 1.00 0.35 N ATOM 1110 CA LYS A 88 4.434 -5.265 6.228 1.00 0.39 C ATOM 1111 C LYS A 88 5.652 -5.777 5.465 1.00 0.41 C ATOM 1112 O LYS A 88 6.629 -6.222 6.065 1.00 0.46 O ATOM 1113 CB LYS A 88 3.313 -6.304 6.186 1.00 0.42 C ATOM 1114 CG LYS A 88 3.500 -7.433 7.190 1.00 0.73 C ATOM 1115 CD LYS A 88 2.284 -7.593 8.090 1.00 1.26 C ATOM 1116 CE LYS A 88 2.168 -6.445 9.083 1.00 1.68 C ATOM 1117 NZ LYS A 88 3.240 -6.481 10.112 1.00 2.46 N ATOM 0 H LYS A 88 3.074 -4.018 5.223 1.00 0.35 H new ATOM 0 HA LYS A 88 4.716 -5.103 7.268 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.361 -5.809 6.379 1.00 0.42 H new ATOM 0 HB3 LYS A 88 3.255 -6.725 5.182 1.00 0.42 H new ATOM 0 HG2 LYS A 88 3.684 -8.366 6.658 1.00 0.73 H new ATOM 0 HG3 LYS A 88 4.381 -7.235 7.800 1.00 0.73 H new ATOM 0 HD2 LYS A 88 1.382 -7.640 7.480 1.00 1.26 H new ATOM 0 HD3 LYS A 88 2.352 -8.537 8.630 1.00 1.26 H new ATOM 0 HE2 LYS A 88 2.214 -5.497 8.547 1.00 1.68 H new ATOM 0 HE3 LYS A 88 1.195 -6.488 9.573 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 2.856 -6.161 11.024 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 3.597 -7.453 10.208 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 4.018 -5.854 9.825 1.00 2.46 H new ATOM 1131 N ARG A 89 5.589 -5.709 4.141 1.00 0.40 N ATOM 1132 CA ARG A 89 6.703 -6.124 3.302 1.00 0.44 C ATOM 1133 C ARG A 89 7.875 -5.157 3.442 1.00 0.43 C ATOM 1134 O ARG A 89 9.033 -5.549 3.311 1.00 0.48 O ATOM 1135 CB ARG A 89 6.265 -6.200 1.840 1.00 0.47 C ATOM 1136 CG ARG A 89 5.180 -7.236 1.576 1.00 0.68 C ATOM 1137 CD ARG A 89 5.456 -8.025 0.303 1.00 0.64 C ATOM 1138 NE ARG A 89 5.550 -7.159 -0.874 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.928 -7.404 -2.034 1.00 0.78 C ATOM 1140 NH1 ARG A 89 4.315 -8.566 -2.238 1.00 1.16 N ATOM 1141 NH2 ARG A 89 4.939 -6.494 -3.003 1.00 1.03 N ATOM 0 H ARG A 89 4.777 -5.370 3.626 1.00 0.40 H new ATOM 0 HA ARG A 89 7.026 -7.112 3.630 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.903 -5.221 1.528 1.00 0.47 H new ATOM 0 HB3 ARG A 89 7.133 -6.431 1.222 1.00 0.47 H new ATOM 0 HG2 ARG A 89 5.116 -7.920 2.422 1.00 0.68 H new ATOM 0 HG3 ARG A 89 4.213 -6.739 1.494 1.00 0.68 H new ATOM 0 HD2 ARG A 89 6.386 -8.582 0.417 1.00 0.64 H new ATOM 0 HD3 ARG A 89 4.662 -8.757 0.151 1.00 0.64 H new ATOM 0 HE ARG A 89 6.124 -6.319 -0.806 1.00 0.59 H new ATOM 0 HH11 ARG A 89 4.316 -9.278 -1.508 1.00 1.16 H new ATOM 0 HH12 ARG A 89 3.843 -8.745 -3.124 1.00 1.16 H new ATOM 0 HH21 ARG A 89 5.422 -5.607 -2.864 1.00 1.03 H new ATOM 0 HH22 ARG A 89 4.464 -6.683 -3.886 1.00 1.03 H new ATOM 1155 N LEU A 90 7.570 -3.894 3.708 1.00 0.40 N ATOM 1156 CA LEU A 90 8.602 -2.876 3.869 1.00 0.41 C ATOM 1157 C LEU A 90 9.383 -3.079 5.164 1.00 0.44 C ATOM 1158 O LEU A 90 10.613 -3.095 5.158 1.00 0.49 O ATOM 1159 CB LEU A 90 7.980 -1.479 3.856 1.00 0.39 C ATOM 1160 CG LEU A 90 7.859 -0.832 2.476 1.00 0.38 C ATOM 1161 CD1 LEU A 90 7.024 0.437 2.553 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.236 -0.528 1.901 1.00 0.45 C ATOM 0 H LEU A 90 6.616 -3.549 3.817 1.00 0.40 H new ATOM 0 HA LEU A 90 9.293 -2.971 3.032 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.986 -1.537 4.300 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.577 -0.827 4.494 1.00 0.39 H new ATOM 0 HG LEU A 90 7.358 -1.536 1.812 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.949 0.884 1.562 1.00 0.38 H new ATOM 0 HD12 LEU A 90 6.026 0.194 2.918 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.498 1.144 3.234 1.00 0.38 H new ATOM 0 HD21 LEU A 90 9.127 -0.068 0.919 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.765 0.156 2.565 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.804 -1.454 1.807 1.00 0.45 H new ATOM 1174 N GLU A 91 8.666 -3.246 6.269 1.00 0.45 N ATOM 1175 CA GLU A 91 9.302 -3.395 7.576 1.00 0.50 C ATOM 1176 C GLU A 91 10.023 -4.737 7.689 1.00 0.54 C ATOM 1177 O GLU A 91 10.932 -4.899 8.507 1.00 0.64 O ATOM 1178 CB GLU A 91 8.271 -3.244 8.701 1.00 0.53 C ATOM 1179 CG GLU A 91 7.284 -4.401 8.807 1.00 0.76 C ATOM 1180 CD GLU A 91 6.142 -4.105 9.760 1.00 0.94 C ATOM 1181 OE1 GLU A 91 6.366 -3.402 10.768 1.00 1.23 O ATOM 1182 OE2 GLU A 91 5.009 -4.572 9.515 1.00 1.39 O ATOM 0 H GLU A 91 7.647 -3.282 6.288 1.00 0.45 H new ATOM 0 HA GLU A 91 10.044 -2.603 7.677 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.798 -3.143 9.650 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.714 -2.320 8.546 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.880 -4.622 7.819 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.811 -5.294 9.143 1.00 0.76 H new ATOM 1189 N ASN A 92 9.620 -5.690 6.858 1.00 0.51 N ATOM 1190 CA ASN A 92 10.235 -7.012 6.849 1.00 0.57 C ATOM 1191 C ASN A 92 11.301 -7.101 5.762 1.00 0.60 C ATOM 1192 O ASN A 92 11.864 -8.170 5.515 1.00 0.68 O ATOM 1193 CB ASN A 92 9.176 -8.095 6.629 1.00 0.60 C ATOM 1194 CG ASN A 92 8.536 -8.563 7.924 1.00 0.69 C ATOM 1195 OD1 ASN A 92 9.173 -9.211 8.755 1.00 1.00 O ATOM 1196 ND2 ASN A 92 7.266 -8.237 8.099 1.00 1.30 N ATOM 0 H ASN A 92 8.868 -5.572 6.179 1.00 0.51 H new ATOM 0 HA ASN A 92 10.708 -7.172 7.818 1.00 0.57 H new ATOM 0 HB2 ASN A 92 8.402 -7.711 5.965 1.00 0.60 H new ATOM 0 HB3 ASN A 92 9.633 -8.947 6.126 1.00 0.60 H new ATOM 0 HD21 ASN A 92 6.778 -8.524 8.948 1.00 1.30 H new ATOM 0 HD22 ASN A 92 6.775 -7.699 7.385 1.00 1.30 H new ATOM 1203 N ASN A 93 11.565 -5.966 5.112 1.00 0.58 N ATOM 1204 CA ASN A 93 12.586 -5.871 4.066 1.00 0.62 C ATOM 1205 C ASN A 93 12.376 -6.925 2.983 1.00 0.66 C ATOM 1206 O ASN A 93 13.278 -7.710 2.673 1.00 0.77 O ATOM 1207 CB ASN A 93 13.987 -6.007 4.662 1.00 0.70 C ATOM 1208 CG ASN A 93 14.732 -4.704 4.699 1.00 0.87 C ATOM 1209 OD1 ASN A 93 14.357 -3.773 5.417 1.00 1.75 O ATOM 1210 ND2 ASN A 93 15.804 -4.632 3.949 1.00 1.22 N ATOM 0 H ASN A 93 11.078 -5.088 5.295 1.00 0.58 H new ATOM 0 HA ASN A 93 12.491 -4.887 3.607 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.909 -6.405 5.674 1.00 0.70 H new ATOM 0 HB3 ASN A 93 14.557 -6.730 4.078 1.00 0.70 H new ATOM 0 HD21 ASN A 93 16.366 -3.781 3.943 1.00 1.22 H new ATOM 0 HD22 ASN A 93 16.076 -5.427 3.371 1.00 1.22 H new ATOM 1217 N TYR A 94 11.178 -6.953 2.415 1.00 0.61 N ATOM 1218 CA TYR A 94 10.857 -7.936 1.397 1.00 0.67 C ATOM 1219 C TYR A 94 11.591 -7.659 0.093 1.00 0.70 C ATOM 1220 O TYR A 94 12.129 -8.571 -0.533 1.00 0.79 O ATOM 1221 CB TYR A 94 9.357 -8.014 1.145 1.00 0.71 C ATOM 1222 CG TYR A 94 8.977 -9.306 0.480 1.00 0.71 C ATOM 1223 CD1 TYR A 94 9.349 -10.519 1.039 1.00 0.77 C ATOM 1224 CD2 TYR A 94 8.281 -9.318 -0.713 1.00 0.74 C ATOM 1225 CE1 TYR A 94 9.033 -11.713 0.432 1.00 0.83 C ATOM 1226 CE2 TYR A 94 7.960 -10.505 -1.336 1.00 0.81 C ATOM 1227 CZ TYR A 94 8.336 -11.704 -0.762 1.00 0.85 C ATOM 1228 OH TYR A 94 8.017 -12.890 -1.385 1.00 0.96 O ATOM 0 H TYR A 94 10.419 -6.310 2.642 1.00 0.61 H new ATOM 0 HA TYR A 94 11.193 -8.900 1.780 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.823 -7.919 2.090 1.00 0.71 H new ATOM 0 HB3 TYR A 94 9.048 -7.177 0.519 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.898 -10.527 1.969 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.984 -8.383 -1.165 1.00 0.74 H new ATOM 0 HE1 TYR A 94 9.327 -12.649 0.884 1.00 0.83 H new ATOM 0 HE2 TYR A 94 7.417 -10.498 -2.269 1.00 0.81 H new ATOM 0 HH TYR A 94 7.526 -12.703 -2.212 1.00 0.96 H new ATOM 1238 N TYR A 95 11.612 -6.406 -0.315 1.00 0.77 N ATOM 1239 CA TYR A 95 12.271 -6.029 -1.555 1.00 0.88 C ATOM 1240 C TYR A 95 13.711 -5.638 -1.317 1.00 0.75 C ATOM 1241 O TYR A 95 14.244 -5.774 -0.216 1.00 1.04 O ATOM 1242 CB TYR A 95 11.566 -4.850 -2.230 1.00 1.17 C ATOM 1243 CG TYR A 95 10.119 -4.699 -1.859 1.00 0.95 C ATOM 1244 CD1 TYR A 95 9.137 -5.447 -2.487 1.00 0.92 C ATOM 1245 CD2 TYR A 95 9.741 -3.810 -0.874 1.00 1.05 C ATOM 1246 CE1 TYR A 95 7.810 -5.304 -2.146 1.00 0.96 C ATOM 1247 CE2 TYR A 95 8.423 -3.661 -0.523 1.00 1.09 C ATOM 1248 CZ TYR A 95 7.447 -4.433 -1.188 1.00 1.04 C ATOM 1249 OH TYR A 95 6.135 -4.238 -0.819 1.00 1.28 O ATOM 0 H TYR A 95 11.182 -5.631 0.191 1.00 0.77 H new ATOM 0 HA TYR A 95 12.226 -6.905 -2.203 1.00 0.88 H new ATOM 0 HB2 TYR A 95 12.093 -3.931 -1.972 1.00 1.17 H new ATOM 0 HB3 TYR A 95 11.641 -4.968 -3.311 1.00 1.17 H new ATOM 0 HD1 TYR A 95 9.416 -6.153 -3.255 1.00 0.92 H new ATOM 0 HD2 TYR A 95 10.495 -3.222 -0.371 1.00 1.05 H new ATOM 0 HE1 TYR A 95 7.058 -5.894 -2.650 1.00 0.96 H new ATOM 0 HE2 TYR A 95 8.137 -2.964 0.250 1.00 1.09 H new ATOM 0 HH TYR A 95 5.840 -3.351 -1.115 1.00 1.28 H new ATOM 1259 N TRP A 96 14.313 -5.137 -2.372 1.00 0.72 N ATOM 1260 CA TRP A 96 15.659 -4.612 -2.325 1.00 0.65 C ATOM 1261 C TRP A 96 15.594 -3.109 -2.100 1.00 0.61 C ATOM 1262 O TRP A 96 16.337 -2.546 -1.298 1.00 0.64 O ATOM 1263 CB TRP A 96 16.375 -4.915 -3.644 1.00 0.68 C ATOM 1264 CG TRP A 96 17.858 -4.778 -3.568 1.00 0.72 C ATOM 1265 CD1 TRP A 96 18.560 -3.687 -3.150 1.00 0.70 C ATOM 1266 CD2 TRP A 96 18.823 -5.764 -3.935 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.902 -3.946 -3.209 1.00 0.79 N ATOM 1268 CE2 TRP A 96 20.094 -5.211 -3.695 1.00 0.86 C ATOM 1269 CE3 TRP A 96 18.738 -7.062 -4.436 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 21.269 -5.912 -3.945 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 19.905 -7.760 -4.685 1.00 1.03 C ATOM 1272 CH2 TRP A 96 21.159 -7.183 -4.439 1.00 1.05 C ATOM 0 H TRP A 96 13.879 -5.082 -3.294 1.00 0.72 H new ATOM 0 HA TRP A 96 16.212 -5.079 -1.510 1.00 0.65 H new ATOM 0 HB2 TRP A 96 16.129 -5.930 -3.956 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.996 -4.244 -4.415 1.00 0.68 H new ATOM 0 HD1 TRP A 96 18.122 -2.756 -2.821 1.00 0.70 H new ATOM 0 HE1 TRP A 96 20.642 -3.299 -2.935 1.00 0.79 H new ATOM 0 HE3 TRP A 96 17.776 -7.515 -4.627 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 22.235 -5.468 -3.756 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 19.850 -8.766 -5.075 1.00 1.03 H new ATOM 0 HH2 TRP A 96 22.054 -7.752 -4.643 1.00 1.05 H new ATOM 1283 N SER A 97 14.675 -2.478 -2.807 1.00 0.60 N ATOM 1284 CA SER A 97 14.528 -1.043 -2.762 1.00 0.56 C ATOM 1285 C SER A 97 13.051 -0.673 -2.911 1.00 0.54 C ATOM 1286 O SER A 97 12.216 -1.529 -3.221 1.00 0.55 O ATOM 1287 CB SER A 97 15.388 -0.422 -3.868 1.00 0.58 C ATOM 1288 OG SER A 97 15.029 0.924 -4.137 1.00 1.00 O ATOM 0 H SER A 97 14.014 -2.948 -3.425 1.00 0.60 H new ATOM 0 HA SER A 97 14.869 -0.652 -1.804 1.00 0.56 H new ATOM 0 HB2 SER A 97 16.437 -0.465 -3.576 1.00 0.58 H new ATOM 0 HB3 SER A 97 15.286 -1.012 -4.779 1.00 0.58 H new ATOM 0 HG SER A 97 15.642 1.526 -3.667 1.00 1.00 H new ATOM 1294 N ALA A 98 12.731 0.600 -2.698 1.00 0.54 N ATOM 1295 CA ALA A 98 11.346 1.063 -2.696 1.00 0.56 C ATOM 1296 C ALA A 98 10.726 1.012 -4.086 1.00 0.52 C ATOM 1297 O ALA A 98 9.511 1.140 -4.233 1.00 0.53 O ATOM 1298 CB ALA A 98 11.265 2.474 -2.145 1.00 0.66 C ATOM 0 H ALA A 98 13.417 1.334 -2.523 1.00 0.54 H new ATOM 0 HA ALA A 98 10.778 0.389 -2.055 1.00 0.56 H new ATOM 0 HB1 ALA A 98 10.227 2.807 -2.149 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.647 2.488 -1.124 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.863 3.142 -2.765 1.00 0.66 H new ATOM 1304 N SER A 99 11.555 0.813 -5.100 1.00 0.52 N ATOM 1305 CA SER A 99 11.077 0.738 -6.473 1.00 0.54 C ATOM 1306 C SER A 99 10.141 -0.458 -6.666 1.00 0.48 C ATOM 1307 O SER A 99 9.256 -0.434 -7.517 1.00 0.50 O ATOM 1308 CB SER A 99 12.267 0.647 -7.424 1.00 0.62 C ATOM 1309 OG SER A 99 13.472 0.998 -6.757 1.00 0.85 O ATOM 0 H SER A 99 12.564 0.700 -4.998 1.00 0.52 H new ATOM 0 HA SER A 99 10.509 1.641 -6.695 1.00 0.54 H new ATOM 0 HB2 SER A 99 12.346 -0.366 -7.819 1.00 0.62 H new ATOM 0 HB3 SER A 99 12.110 1.310 -8.275 1.00 0.62 H new ATOM 0 HG SER A 99 13.441 1.943 -6.500 1.00 0.85 H new ATOM 1315 N GLU A 100 10.322 -1.490 -5.847 1.00 0.46 N ATOM 1316 CA GLU A 100 9.494 -2.682 -5.932 1.00 0.48 C ATOM 1317 C GLU A 100 8.178 -2.468 -5.192 1.00 0.44 C ATOM 1318 O GLU A 100 7.178 -3.122 -5.477 1.00 0.52 O ATOM 1319 CB GLU A 100 10.242 -3.880 -5.354 1.00 0.56 C ATOM 1320 CG GLU A 100 9.990 -5.180 -6.103 1.00 1.03 C ATOM 1321 CD GLU A 100 10.258 -5.054 -7.588 1.00 1.83 C ATOM 1322 OE1 GLU A 100 11.358 -4.598 -7.959 1.00 2.44 O ATOM 1323 OE2 GLU A 100 9.367 -5.403 -8.390 1.00 2.37 O ATOM 0 H GLU A 100 11.035 -1.522 -5.118 1.00 0.46 H new ATOM 0 HA GLU A 100 9.271 -2.881 -6.980 1.00 0.48 H new ATOM 0 HB2 GLU A 100 11.311 -3.668 -5.363 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.951 -4.010 -4.312 1.00 0.56 H new ATOM 0 HG2 GLU A 100 10.624 -5.964 -5.688 1.00 1.03 H new ATOM 0 HG3 GLU A 100 8.957 -5.490 -5.948 1.00 1.03 H new ATOM 1330 N CYS A 101 8.190 -1.528 -4.253 1.00 0.41 N ATOM 1331 CA CYS A 101 7.003 -1.193 -3.475 1.00 0.44 C ATOM 1332 C CYS A 101 6.050 -0.347 -4.311 1.00 0.38 C ATOM 1333 O CYS A 101 4.852 -0.273 -4.034 1.00 0.38 O ATOM 1334 CB CYS A 101 7.392 -0.443 -2.202 1.00 0.57 C ATOM 1335 SG CYS A 101 6.285 -0.734 -0.805 1.00 0.95 S ATOM 0 H CYS A 101 9.016 -0.981 -4.011 1.00 0.41 H new ATOM 0 HA CYS A 101 6.501 -2.118 -3.193 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.403 -0.734 -1.917 1.00 0.57 H new ATOM 0 HB3 CYS A 101 7.416 0.626 -2.416 1.00 0.57 H new ATOM 0 HG CYS A 101 5.227 -1.368 -1.215 1.00 0.95 H new ATOM 1341 N MET A 102 6.597 0.297 -5.338 1.00 0.39 N ATOM 1342 CA MET A 102 5.803 1.118 -6.248 1.00 0.44 C ATOM 1343 C MET A 102 4.716 0.284 -6.921 1.00 0.36 C ATOM 1344 O MET A 102 3.718 0.820 -7.402 1.00 0.39 O ATOM 1345 CB MET A 102 6.699 1.757 -7.311 1.00 0.58 C ATOM 1346 CG MET A 102 6.420 3.232 -7.552 1.00 0.75 C ATOM 1347 SD MET A 102 7.868 4.262 -7.247 1.00 1.02 S ATOM 1348 CE MET A 102 7.359 5.136 -5.770 1.00 1.13 C ATOM 0 H MET A 102 7.592 0.266 -5.562 1.00 0.39 H new ATOM 0 HA MET A 102 5.327 1.906 -5.664 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.740 1.639 -7.012 1.00 0.58 H new ATOM 0 HB3 MET A 102 6.574 1.216 -8.249 1.00 0.58 H new ATOM 0 HG2 MET A 102 6.087 3.373 -8.580 1.00 0.75 H new ATOM 0 HG3 MET A 102 5.604 3.555 -6.905 1.00 0.75 H new ATOM 0 HE1 MET A 102 8.185 5.748 -5.406 1.00 1.13 H new ATOM 0 HE2 MET A 102 6.508 5.776 -6.001 1.00 1.13 H new ATOM 0 HE3 MET A 102 7.074 4.417 -5.002 1.00 1.13 H new ATOM 1358 N GLN A 103 4.919 -1.029 -6.944 1.00 0.34 N ATOM 1359 CA GLN A 103 3.956 -1.950 -7.520 1.00 0.36 C ATOM 1360 C GLN A 103 2.745 -2.098 -6.609 1.00 0.30 C ATOM 1361 O GLN A 103 1.614 -1.820 -7.015 1.00 0.31 O ATOM 1362 CB GLN A 103 4.608 -3.313 -7.754 1.00 0.43 C ATOM 1363 CG GLN A 103 3.724 -4.295 -8.505 1.00 1.36 C ATOM 1364 CD GLN A 103 3.566 -3.936 -9.968 1.00 2.17 C ATOM 1365 OE1 GLN A 103 2.710 -3.128 -10.334 1.00 2.70 O ATOM 1366 NE2 GLN A 103 4.389 -4.531 -10.816 1.00 2.96 N ATOM 0 H GLN A 103 5.752 -1.479 -6.565 1.00 0.34 H new ATOM 0 HA GLN A 103 3.622 -1.548 -8.476 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.534 -3.172 -8.312 1.00 0.43 H new ATOM 0 HB3 GLN A 103 4.879 -3.746 -6.791 1.00 0.43 H new ATOM 0 HG2 GLN A 103 4.149 -5.296 -8.424 1.00 1.36 H new ATOM 0 HG3 GLN A 103 2.741 -4.327 -8.034 1.00 1.36 H new ATOM 0 HE21 GLN A 103 5.084 -5.194 -10.472 1.00 2.96 H new ATOM 0 HE22 GLN A 103 4.329 -4.327 -11.814 1.00 2.96 H new ATOM 1375 N ASP A 104 2.994 -2.503 -5.370 1.00 0.30 N ATOM 1376 CA ASP A 104 1.927 -2.769 -4.419 1.00 0.32 C ATOM 1377 C ASP A 104 1.210 -1.484 -4.030 1.00 0.29 C ATOM 1378 O ASP A 104 -0.012 -1.471 -3.866 1.00 0.31 O ATOM 1379 CB ASP A 104 2.469 -3.485 -3.175 1.00 0.48 C ATOM 1380 CG ASP A 104 3.951 -3.249 -2.930 1.00 0.88 C ATOM 1381 OD1 ASP A 104 4.780 -3.765 -3.703 1.00 1.09 O ATOM 1382 OD2 ASP A 104 4.290 -2.525 -1.969 1.00 1.87 O ATOM 0 H ASP A 104 3.933 -2.655 -5.000 1.00 0.30 H new ATOM 0 HA ASP A 104 1.204 -3.426 -4.903 1.00 0.32 H new ATOM 0 HB2 ASP A 104 1.908 -3.152 -2.302 1.00 0.48 H new ATOM 0 HB3 ASP A 104 2.293 -4.556 -3.278 1.00 0.48 H new ATOM 1387 N PHE A 105 1.967 -0.400 -3.911 1.00 0.30 N ATOM 1388 CA PHE A 105 1.395 0.908 -3.606 1.00 0.33 C ATOM 1389 C PHE A 105 0.421 1.343 -4.698 1.00 0.32 C ATOM 1390 O PHE A 105 -0.635 1.911 -4.418 1.00 0.38 O ATOM 1391 CB PHE A 105 2.505 1.950 -3.461 1.00 0.38 C ATOM 1392 CG PHE A 105 2.527 2.635 -2.124 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.459 3.421 -1.720 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.607 2.487 -1.267 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.467 4.045 -0.487 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.621 3.110 -0.035 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.583 3.915 0.341 1.00 0.33 C ATOM 0 H PHE A 105 2.981 -0.400 -4.021 1.00 0.30 H new ATOM 0 HA PHE A 105 0.851 0.828 -2.665 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.468 1.466 -3.626 1.00 0.38 H new ATOM 0 HB3 PHE A 105 2.388 2.702 -4.241 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.611 3.547 -2.377 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.447 1.877 -1.567 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.617 4.629 -0.167 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.456 2.960 0.634 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.626 4.450 1.278 1.00 0.33 H new ATOM 1407 N ASN A 106 0.783 1.063 -5.943 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.038 1.441 -7.087 1.00 0.34 C ATOM 1409 C ASN A 106 -1.346 0.651 -7.098 1.00 0.32 C ATOM 1410 O ASN A 106 -2.409 1.199 -7.400 1.00 0.38 O ATOM 1411 CB ASN A 106 0.747 1.225 -8.391 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.040 0.488 -9.463 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -0.789 1.098 -10.230 1.00 0.88 O ATOM 1414 ND2 ASN A 106 0.130 -0.825 -9.525 1.00 0.97 N ATOM 0 H ASN A 106 1.644 0.573 -6.188 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.289 2.499 -7.005 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.058 2.194 -8.782 1.00 0.36 H new ATOM 0 HB3 ASN A 106 1.655 0.664 -8.169 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.369 -1.371 -10.227 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.760 -1.289 -8.870 1.00 0.97 H new ATOM 1421 N THR A 107 -1.263 -0.626 -6.747 1.00 0.29 N ATOM 1422 CA THR A 107 -2.423 -1.499 -6.769 1.00 0.30 C ATOM 1423 C THR A 107 -3.414 -1.150 -5.657 1.00 0.26 C ATOM 1424 O THR A 107 -4.625 -1.170 -5.873 1.00 0.27 O ATOM 1425 CB THR A 107 -2.009 -2.978 -6.645 1.00 0.36 C ATOM 1426 OG1 THR A 107 -1.271 -3.386 -7.808 1.00 0.43 O ATOM 1427 CG2 THR A 107 -3.231 -3.865 -6.481 1.00 0.39 C ATOM 0 H THR A 107 -0.401 -1.078 -6.443 1.00 0.29 H new ATOM 0 HA THR A 107 -2.914 -1.347 -7.730 1.00 0.30 H new ATOM 0 HB THR A 107 -1.378 -3.082 -5.763 1.00 0.36 H new ATOM 0 HG1 THR A 107 -1.493 -4.315 -8.027 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.917 -4.905 -6.395 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.773 -3.574 -5.581 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.881 -3.753 -7.349 1.00 0.39 H new ATOM 1435 N MET A 108 -2.899 -0.822 -4.475 1.00 0.26 N ATOM 1436 CA MET A 108 -3.752 -0.493 -3.334 1.00 0.26 C ATOM 1437 C MET A 108 -4.748 0.619 -3.686 1.00 0.24 C ATOM 1438 O MET A 108 -5.913 0.574 -3.281 1.00 0.27 O ATOM 1439 CB MET A 108 -2.889 -0.106 -2.121 1.00 0.32 C ATOM 1440 CG MET A 108 -2.846 1.386 -1.808 1.00 0.62 C ATOM 1441 SD MET A 108 -4.085 1.881 -0.594 1.00 0.88 S ATOM 1442 CE MET A 108 -3.258 3.264 0.184 1.00 0.83 C ATOM 0 H MET A 108 -1.899 -0.777 -4.281 1.00 0.26 H new ATOM 0 HA MET A 108 -4.334 -1.377 -3.074 1.00 0.26 H new ATOM 0 HB2 MET A 108 -3.264 -0.635 -1.245 1.00 0.32 H new ATOM 0 HB3 MET A 108 -1.871 -0.455 -2.293 1.00 0.32 H new ATOM 0 HG2 MET A 108 -1.855 1.646 -1.436 1.00 0.62 H new ATOM 0 HG3 MET A 108 -2.999 1.950 -2.728 1.00 0.62 H new ATOM 0 HE1 MET A 108 -3.633 3.388 1.200 1.00 0.83 H new ATOM 0 HE2 MET A 108 -2.185 3.076 0.214 1.00 0.83 H new ATOM 0 HE3 MET A 108 -3.452 4.172 -0.387 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.296 1.588 -4.476 1.00 0.22 N ATOM 1453 CA PHE A 109 -5.135 2.718 -4.849 1.00 0.23 C ATOM 1454 C PHE A 109 -6.138 2.321 -5.928 1.00 0.23 C ATOM 1455 O PHE A 109 -7.319 2.662 -5.847 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.272 3.886 -5.332 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.795 4.776 -4.218 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.689 5.293 -3.294 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.451 5.091 -4.093 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.253 6.108 -2.269 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -2.010 5.907 -3.067 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.913 6.416 -2.155 1.00 0.22 C ATOM 0 H PHE A 109 -3.355 1.612 -4.869 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.691 3.033 -3.966 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.408 3.493 -5.868 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.845 4.481 -6.043 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.739 5.055 -3.377 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.741 4.695 -4.804 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.961 6.505 -1.556 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.960 6.146 -2.979 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.571 7.054 -1.354 1.00 0.22 H new ATOM 1472 N THR A 110 -5.673 1.578 -6.925 1.00 0.22 N ATOM 1473 CA THR A 110 -6.521 1.172 -8.036 1.00 0.26 C ATOM 1474 C THR A 110 -7.597 0.202 -7.566 1.00 0.25 C ATOM 1475 O THR A 110 -8.748 0.279 -7.989 1.00 0.27 O ATOM 1476 CB THR A 110 -5.693 0.512 -9.150 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.493 -0.038 -8.595 1.00 0.49 O ATOM 1478 CG2 THR A 110 -5.339 1.522 -10.227 1.00 0.66 C ATOM 0 H THR A 110 -4.711 1.244 -6.986 1.00 0.22 H new ATOM 0 HA THR A 110 -6.994 2.070 -8.432 1.00 0.26 H new ATOM 0 HB THR A 110 -6.288 -0.282 -9.601 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.875 0.688 -8.368 1.00 0.49 H new ATOM 0 HG21 THR A 110 -4.753 1.033 -11.005 1.00 0.66 H new ATOM 0 HG22 THR A 110 -6.253 1.927 -10.661 1.00 0.66 H new ATOM 0 HG23 THR A 110 -4.756 2.332 -9.789 1.00 0.66 H new ATOM 1486 N ASN A 111 -7.199 -0.696 -6.679 1.00 0.24 N ATOM 1487 CA ASN A 111 -8.102 -1.680 -6.082 1.00 0.27 C ATOM 1488 C ASN A 111 -9.369 -1.010 -5.540 1.00 0.26 C ATOM 1489 O ASN A 111 -10.485 -1.464 -5.806 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.363 -2.446 -4.973 1.00 0.33 C ATOM 1491 CG ASN A 111 -8.198 -2.675 -3.726 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -9.141 -3.459 -3.737 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -7.848 -1.995 -2.644 1.00 1.61 N ATOM 0 H ASN A 111 -6.237 -0.767 -6.348 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.415 -2.386 -6.852 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -7.039 -3.410 -5.364 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -6.463 -1.894 -4.700 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -8.370 -2.114 -1.776 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -7.056 -1.353 -2.679 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.190 0.088 -4.812 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.310 0.817 -4.237 1.00 0.30 C ATOM 1502 C CYS A 112 -11.179 1.428 -5.334 1.00 0.31 C ATOM 1503 O CYS A 112 -12.407 1.395 -5.251 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.793 1.907 -3.291 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.911 3.312 -3.082 1.00 0.63 S ATOM 0 H CYS A 112 -8.276 0.492 -4.607 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.925 0.119 -3.669 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -9.603 1.462 -2.314 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -8.837 2.272 -3.666 1.00 0.36 H new ATOM 0 HG CYS A 112 -12.118 2.959 -3.411 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.535 1.951 -6.375 1.00 0.32 N ATOM 1512 CA TYR A 113 -11.241 2.610 -7.474 1.00 0.36 C ATOM 1513 C TYR A 113 -12.079 1.613 -8.270 1.00 0.41 C ATOM 1514 O TYR A 113 -13.110 1.970 -8.842 1.00 0.52 O ATOM 1515 CB TYR A 113 -10.249 3.298 -8.418 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.465 4.432 -7.791 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -10.039 5.265 -6.838 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -8.151 4.674 -8.166 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.323 6.306 -6.279 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.428 5.712 -7.608 1.00 0.65 C ATOM 1521 CZ TYR A 113 -8.017 6.525 -6.667 1.00 0.66 C ATOM 1522 OH TYR A 113 -7.301 7.566 -6.117 1.00 0.81 O ATOM 0 H TYR A 113 -9.521 1.931 -6.482 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.903 3.356 -7.034 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.548 2.553 -8.793 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.795 3.684 -9.279 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -11.060 5.096 -6.530 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.685 4.041 -8.906 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -9.784 6.946 -5.541 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -6.405 5.884 -7.909 1.00 0.65 H new ATOM 0 HH TYR A 113 -6.520 7.758 -6.677 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.625 0.368 -8.310 1.00 0.37 N ATOM 1533 CA ILE A 114 -12.286 -0.665 -9.097 1.00 0.43 C ATOM 1534 C ILE A 114 -13.439 -1.307 -8.332 1.00 0.47 C ATOM 1535 O ILE A 114 -14.572 -1.344 -8.819 1.00 0.55 O ATOM 1536 CB ILE A 114 -11.290 -1.761 -9.523 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -10.220 -1.170 -10.443 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -12.011 -2.914 -10.214 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.919 -1.938 -10.423 1.00 0.44 C ATOM 0 H ILE A 114 -10.799 0.048 -7.805 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.685 -0.174 -9.985 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.807 -2.154 -8.628 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -10.603 -1.145 -11.463 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -10.028 -0.138 -10.149 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -11.286 -3.674 -10.505 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.739 -3.350 -9.530 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -12.524 -2.543 -11.102 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -8.206 -1.464 -11.098 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.514 -1.941 -9.411 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -9.097 -2.964 -10.746 1.00 0.44 H new ATOM 1551 N TYR A 115 -13.149 -1.817 -7.138 1.00 0.44 N ATOM 1552 CA TYR A 115 -14.153 -2.529 -6.355 1.00 0.51 C ATOM 1553 C TYR A 115 -15.251 -1.581 -5.891 1.00 0.52 C ATOM 1554 O TYR A 115 -16.435 -1.926 -5.917 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.514 -3.219 -5.144 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.433 -4.207 -4.456 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -14.550 -5.518 -4.908 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -15.185 -3.826 -3.353 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -15.392 -6.420 -4.277 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -16.027 -4.719 -2.717 1.00 1.03 C ATOM 1561 CZ TYR A 115 -16.128 -6.015 -3.181 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.971 -6.905 -2.547 1.00 1.22 O ATOM 0 H TYR A 115 -12.233 -1.751 -6.694 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.596 -3.290 -6.998 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.611 -3.738 -5.466 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -13.206 -2.460 -4.425 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -13.975 -5.838 -5.765 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -15.111 -2.813 -2.985 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -15.472 -7.434 -4.640 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -16.604 -4.404 -1.860 1.00 1.03 H new ATOM 0 HH TYR A 115 -16.687 -7.822 -2.744 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.857 -0.385 -5.493 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.802 0.585 -4.957 1.00 0.41 C ATOM 1574 C ASN A 116 -16.228 1.567 -6.034 1.00 0.45 C ATOM 1575 O ASN A 116 -15.488 1.824 -6.982 1.00 0.64 O ATOM 1576 CB ASN A 116 -15.192 1.349 -3.779 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.706 0.439 -2.667 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.487 -0.283 -2.047 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.408 0.478 -2.405 1.00 0.88 N ATOM 0 H ASN A 116 -13.891 -0.060 -5.530 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.677 0.038 -4.606 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.358 1.952 -4.138 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -15.934 2.039 -3.378 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -13.020 -0.106 -1.664 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.797 1.091 -2.944 1.00 0.88 H new ATOM 1586 N LYS A 117 -17.424 2.112 -5.888 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.944 3.079 -6.841 1.00 0.53 C ATOM 1588 C LYS A 117 -17.272 4.434 -6.639 1.00 0.52 C ATOM 1589 O LYS A 117 -16.864 4.768 -5.527 1.00 0.55 O ATOM 1590 CB LYS A 117 -19.465 3.213 -6.700 1.00 0.65 C ATOM 1591 CG LYS A 117 -19.960 3.189 -5.262 1.00 1.20 C ATOM 1592 CD LYS A 117 -20.886 4.360 -4.971 1.00 1.82 C ATOM 1593 CE LYS A 117 -22.276 4.121 -5.538 1.00 2.62 C ATOM 1594 NZ LYS A 117 -22.631 5.111 -6.588 1.00 3.47 N ATOM 0 H LYS A 117 -18.056 1.900 -5.116 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.722 2.724 -7.847 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.782 4.146 -7.166 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.943 2.403 -7.251 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -20.485 2.253 -5.073 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -19.108 3.220 -4.582 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -20.952 4.515 -3.894 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -20.468 5.271 -5.399 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -22.328 3.116 -5.956 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -23.009 4.170 -4.732 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -23.551 5.541 -6.363 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -21.903 5.852 -6.626 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -22.688 4.634 -7.510 1.00 3.47 H new ATOM 1608 N PRO A 118 -17.165 5.242 -7.709 1.00 0.59 N ATOM 1609 CA PRO A 118 -16.497 6.550 -7.660 1.00 0.68 C ATOM 1610 C PRO A 118 -17.207 7.553 -6.744 1.00 0.70 C ATOM 1611 O PRO A 118 -16.704 8.649 -6.504 1.00 0.81 O ATOM 1612 CB PRO A 118 -16.542 7.035 -9.114 1.00 0.79 C ATOM 1613 CG PRO A 118 -17.643 6.268 -9.753 1.00 0.96 C ATOM 1614 CD PRO A 118 -17.672 4.936 -9.061 1.00 0.68 C ATOM 0 HA PRO A 118 -15.490 6.464 -7.252 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -16.730 8.108 -9.165 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -15.593 6.853 -9.618 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -18.595 6.786 -9.643 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -17.467 6.149 -10.822 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -18.680 4.522 -9.028 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -17.044 4.205 -9.570 1.00 0.68 H new ATOM 1622 N THR A 119 -18.377 7.178 -6.246 1.00 0.67 N ATOM 1623 CA THR A 119 -19.137 8.030 -5.344 1.00 0.77 C ATOM 1624 C THR A 119 -18.999 7.566 -3.895 1.00 0.69 C ATOM 1625 O THR A 119 -19.660 8.093 -2.998 1.00 0.78 O ATOM 1626 CB THR A 119 -20.624 8.035 -5.726 1.00 0.97 C ATOM 1627 OG1 THR A 119 -20.819 7.252 -6.916 1.00 0.98 O ATOM 1628 CG2 THR A 119 -21.124 9.453 -5.950 1.00 1.23 C ATOM 0 H THR A 119 -18.822 6.284 -6.453 1.00 0.67 H new ATOM 0 HA THR A 119 -18.732 9.038 -5.435 1.00 0.77 H new ATOM 0 HB THR A 119 -21.194 7.600 -4.905 1.00 0.97 H new ATOM 0 HG1 THR A 119 -21.645 7.535 -7.362 1.00 0.98 H new ATOM 0 HG21 THR A 119 -22.180 9.428 -6.219 1.00 1.23 H new ATOM 0 HG22 THR A 119 -20.996 10.033 -5.036 1.00 1.23 H new ATOM 0 HG23 THR A 119 -20.555 9.916 -6.756 1.00 1.23 H new ATOM 1636 N ASP A 120 -18.151 6.571 -3.666 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.969 6.032 -2.327 1.00 0.59 C ATOM 1638 C ASP A 120 -16.988 6.878 -1.532 1.00 0.47 C ATOM 1639 O ASP A 120 -16.126 7.555 -2.098 1.00 0.39 O ATOM 1640 CB ASP A 120 -17.480 4.584 -2.373 1.00 0.63 C ATOM 1641 CG ASP A 120 -18.021 3.762 -1.218 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -17.872 4.190 -0.054 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -18.602 2.691 -1.473 1.00 1.19 O ATOM 0 H ASP A 120 -17.583 6.124 -4.386 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.940 6.055 -1.833 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -17.785 4.129 -3.315 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -16.390 4.569 -2.349 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.118 6.815 -0.219 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.293 7.609 0.682 1.00 0.51 C ATOM 1650 C ASP A 121 -14.844 7.157 0.611 1.00 0.39 C ATOM 1651 O ASP A 121 -13.931 7.978 0.597 1.00 0.39 O ATOM 1652 CB ASP A 121 -16.804 7.497 2.121 1.00 0.70 C ATOM 1653 CG ASP A 121 -17.946 8.451 2.409 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -18.927 8.473 1.639 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -17.866 9.194 3.405 1.00 1.44 O ATOM 0 H ASP A 121 -17.794 6.216 0.254 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.354 8.651 0.369 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -17.133 6.475 2.307 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -15.984 7.698 2.811 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.646 5.844 0.539 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.301 5.279 0.466 1.00 0.27 C ATOM 1662 C ILE A 122 -12.585 5.751 -0.801 1.00 0.25 C ATOM 1663 O ILE A 122 -11.384 6.019 -0.782 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.326 3.729 0.518 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.934 3.155 0.224 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -14.356 3.167 -0.451 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -11.062 3.021 1.454 1.00 0.42 C ATOM 0 H ILE A 122 -15.396 5.153 0.530 1.00 0.34 H new ATOM 0 HA ILE A 122 -12.752 5.635 1.338 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.614 3.430 1.526 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -12.045 2.175 -0.241 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.431 3.796 -0.500 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -14.353 2.078 -0.394 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -15.345 3.541 -0.188 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -14.109 3.478 -1.466 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -10.094 2.609 1.170 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -10.920 4.002 1.908 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.543 2.356 2.171 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.333 5.872 -1.892 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.774 6.362 -3.144 1.00 0.25 C ATOM 1681 C VAL A 123 -12.397 7.832 -3.003 1.00 0.24 C ATOM 1682 O VAL A 123 -11.304 8.246 -3.394 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.767 6.196 -4.316 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.542 7.270 -5.372 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.647 4.807 -4.925 1.00 0.32 C ATOM 0 H VAL A 123 -14.325 5.638 -1.934 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.886 5.769 -3.365 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.778 6.313 -3.926 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -14.252 7.133 -6.187 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.686 8.254 -4.926 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.526 7.192 -5.759 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -14.354 4.709 -5.749 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.633 4.659 -5.297 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.868 4.057 -4.166 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.313 8.606 -2.431 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.089 10.025 -2.207 1.00 0.31 C ATOM 1697 C LEU A 124 -11.843 10.228 -1.364 1.00 0.29 C ATOM 1698 O LEU A 124 -11.060 11.153 -1.593 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.293 10.645 -1.504 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.084 11.652 -2.336 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.574 11.489 -2.083 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.635 13.070 -2.021 1.00 0.49 C ATOM 0 H LEU A 124 -14.222 8.270 -2.113 1.00 0.27 H new ATOM 0 HA LEU A 124 -12.952 10.513 -3.172 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -14.966 9.845 -1.196 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -13.948 11.139 -0.596 1.00 0.37 H new ATOM 0 HG LEU A 124 -14.892 11.461 -3.392 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.126 12.213 -2.682 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -16.882 10.480 -2.358 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.784 11.657 -1.027 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.209 13.775 -2.622 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.799 13.277 -0.964 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.575 13.175 -2.251 1.00 0.49 H new ATOM 1714 N MET A 125 -11.664 9.343 -0.397 1.00 0.25 N ATOM 1715 CA MET A 125 -10.508 9.391 0.473 1.00 0.26 C ATOM 1716 C MET A 125 -9.243 9.017 -0.288 1.00 0.24 C ATOM 1717 O MET A 125 -8.247 9.731 -0.224 1.00 0.25 O ATOM 1718 CB MET A 125 -10.697 8.462 1.676 1.00 0.35 C ATOM 1719 CG MET A 125 -11.743 8.953 2.661 1.00 0.62 C ATOM 1720 SD MET A 125 -12.471 7.619 3.629 1.00 0.54 S ATOM 1721 CE MET A 125 -13.371 8.564 4.853 1.00 0.62 C ATOM 0 H MET A 125 -12.310 8.580 -0.197 1.00 0.25 H new ATOM 0 HA MET A 125 -10.403 10.413 0.837 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.981 7.472 1.319 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.744 8.353 2.194 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.288 9.679 3.335 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.531 9.473 2.117 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.924 7.885 5.502 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.670 9.147 5.451 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.068 9.237 4.353 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.303 7.908 -1.022 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.159 7.422 -1.792 1.00 0.27 C ATOM 1733 C ALA A 126 -7.619 8.502 -2.729 1.00 0.25 C ATOM 1734 O ALA A 126 -6.407 8.668 -2.867 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.541 6.180 -2.586 1.00 0.31 C ATOM 0 H ALA A 126 -10.137 7.326 -1.100 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.370 7.163 -1.086 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.678 5.831 -3.153 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.866 5.396 -1.902 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.353 6.422 -3.272 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.531 9.246 -3.349 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.161 10.322 -4.262 1.00 0.30 C ATOM 1743 C GLN A 127 -7.286 11.361 -3.560 1.00 0.28 C ATOM 1744 O GLN A 127 -6.292 11.826 -4.118 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.417 10.991 -4.823 1.00 0.38 C ATOM 1746 CG GLN A 127 -10.182 10.123 -5.809 1.00 0.86 C ATOM 1747 CD GLN A 127 -10.835 10.931 -6.911 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -10.247 11.147 -7.970 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -12.054 11.386 -6.669 1.00 1.62 N ATOM 0 H GLN A 127 -9.537 9.122 -3.234 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.588 9.889 -5.082 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.077 11.255 -3.997 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.134 11.921 -5.315 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -9.501 9.396 -6.251 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -10.947 9.560 -5.274 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -12.506 11.184 -5.777 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -12.541 11.939 -7.374 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.652 11.708 -2.330 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.905 12.697 -1.558 1.00 0.28 C ATOM 1760 C ALA A 128 -5.633 12.082 -0.983 1.00 0.24 C ATOM 1761 O ALA A 128 -4.584 12.724 -0.936 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.772 13.261 -0.444 1.00 0.32 C ATOM 0 H ALA A 128 -8.461 11.319 -1.846 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.620 13.511 -2.225 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.202 13.997 0.123 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.653 13.737 -0.874 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -8.083 12.454 0.219 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.746 10.831 -0.554 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.618 10.071 -0.018 1.00 0.17 C ATOM 1770 C LEU A 129 -3.477 10.013 -1.031 1.00 0.17 C ATOM 1771 O LEU A 129 -2.301 10.096 -0.677 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.078 8.644 0.304 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.532 8.375 1.745 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.428 9.486 2.257 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.262 7.046 1.812 1.00 0.33 C ATOM 0 H LEU A 129 -6.624 10.312 -0.567 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.261 10.565 0.885 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.901 8.393 -0.365 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.260 7.962 0.072 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.647 8.338 2.380 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.732 9.266 3.280 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.885 10.431 2.236 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.312 9.562 1.624 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.583 6.858 2.837 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.134 7.076 1.159 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.594 6.247 1.489 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.846 9.881 -2.296 1.00 0.19 N ATOM 1788 CA GLU A 130 -2.886 9.770 -3.388 1.00 0.22 C ATOM 1789 C GLU A 130 -2.015 11.021 -3.513 1.00 0.20 C ATOM 1790 O GLU A 130 -0.896 10.956 -4.024 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.637 9.525 -4.697 1.00 0.34 C ATOM 1792 CG GLU A 130 -2.874 8.680 -5.702 1.00 0.76 C ATOM 1793 CD GLU A 130 -3.380 8.882 -7.112 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -4.603 8.744 -7.335 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -2.563 9.201 -8.003 1.00 1.47 O ATOM 0 H GLU A 130 -4.820 9.848 -2.597 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.223 8.932 -3.172 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.585 9.036 -4.473 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -3.874 10.486 -5.153 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -1.815 8.932 -5.657 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -2.963 7.628 -5.432 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.515 12.150 -3.021 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.810 13.415 -3.160 1.00 0.28 C ATOM 1804 C LYS A 131 -0.540 13.409 -2.328 1.00 0.25 C ATOM 1805 O LYS A 131 0.532 13.759 -2.817 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.703 14.583 -2.744 1.00 0.37 C ATOM 1807 CG LYS A 131 -3.425 15.238 -3.909 1.00 0.80 C ATOM 1808 CD LYS A 131 -4.828 14.674 -4.083 1.00 1.18 C ATOM 1809 CE LYS A 131 -5.364 14.931 -5.481 1.00 1.56 C ATOM 1810 NZ LYS A 131 -6.185 13.796 -5.983 1.00 2.24 N ATOM 0 H LYS A 131 -3.404 12.213 -2.524 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.544 13.540 -4.210 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.440 14.228 -2.023 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.095 15.332 -2.236 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -3.482 16.314 -3.745 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -2.854 15.085 -4.825 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -4.816 13.602 -3.888 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -5.496 15.124 -3.348 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -5.966 15.839 -5.477 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -4.531 15.104 -6.162 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -5.647 13.269 -6.700 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -6.422 13.163 -5.193 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -7.061 14.162 -6.407 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.659 12.984 -1.075 1.00 0.28 N ATOM 1825 CA ILE A 132 0.495 12.928 -0.190 1.00 0.33 C ATOM 1826 C ILE A 132 1.425 11.791 -0.598 1.00 0.26 C ATOM 1827 O ILE A 132 2.619 11.813 -0.298 1.00 0.29 O ATOM 1828 CB ILE A 132 0.107 12.764 1.296 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.325 12.247 1.443 1.00 0.46 C ATOM 1830 CG2 ILE A 132 0.271 14.088 2.030 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.615 11.666 2.807 1.00 0.59 C ATOM 0 H ILE A 132 -1.535 12.676 -0.653 1.00 0.28 H new ATOM 0 HA ILE A 132 1.006 13.885 -0.292 1.00 0.33 H new ATOM 0 HB ILE A 132 0.775 12.026 1.740 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -2.020 13.064 1.249 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -1.508 11.485 0.685 1.00 0.46 H new ATOM 0 HG21 ILE A 132 -0.005 13.960 3.077 1.00 1.23 H new ATOM 0 HG22 ILE A 132 1.309 14.413 1.966 1.00 1.23 H new ATOM 0 HG23 ILE A 132 -0.373 14.839 1.574 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.648 11.318 2.842 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -0.944 10.828 2.996 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -1.464 12.431 3.568 1.00 0.59 H new ATOM 1843 N PHE A 133 0.870 10.802 -1.291 1.00 0.25 N ATOM 1844 CA PHE A 133 1.664 9.711 -1.830 1.00 0.28 C ATOM 1845 C PHE A 133 2.688 10.247 -2.830 1.00 0.26 C ATOM 1846 O PHE A 133 3.893 10.148 -2.605 1.00 0.28 O ATOM 1847 CB PHE A 133 0.758 8.676 -2.504 1.00 0.34 C ATOM 1848 CG PHE A 133 1.515 7.623 -3.256 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.505 6.886 -2.629 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.245 7.378 -4.593 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.213 5.925 -3.320 1.00 0.39 C ATOM 1852 CE2 PHE A 133 1.949 6.415 -5.288 1.00 0.46 C ATOM 1853 CZ PHE A 133 2.935 5.689 -4.649 1.00 0.44 C ATOM 0 H PHE A 133 -0.128 10.736 -1.491 1.00 0.25 H new ATOM 0 HA PHE A 133 2.195 9.228 -1.010 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.139 8.196 -1.745 1.00 0.34 H new ATOM 0 HB3 PHE A 133 0.082 9.187 -3.190 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.725 7.066 -1.587 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.476 7.946 -5.096 1.00 0.42 H new ATOM 0 HE1 PHE A 133 3.984 5.358 -2.820 1.00 0.39 H new ATOM 0 HE2 PHE A 133 1.729 6.230 -6.329 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.488 4.936 -5.191 1.00 0.44 H new ATOM 1863 N LEU A 134 2.203 10.853 -3.912 1.00 0.27 N ATOM 1864 CA LEU A 134 3.085 11.374 -4.952 1.00 0.34 C ATOM 1865 C LEU A 134 3.927 12.530 -4.420 1.00 0.34 C ATOM 1866 O LEU A 134 5.046 12.760 -4.877 1.00 0.43 O ATOM 1867 CB LEU A 134 2.280 11.816 -6.184 1.00 0.42 C ATOM 1868 CG LEU A 134 1.258 12.935 -5.949 1.00 0.47 C ATOM 1869 CD1 LEU A 134 1.795 14.262 -6.459 1.00 0.64 C ATOM 1870 CD2 LEU A 134 -0.061 12.602 -6.630 1.00 0.59 C ATOM 0 H LEU A 134 1.209 10.995 -4.090 1.00 0.27 H new ATOM 0 HA LEU A 134 3.757 10.571 -5.255 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.980 12.145 -6.953 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.754 10.948 -6.582 1.00 0.42 H new ATOM 0 HG LEU A 134 1.083 13.021 -4.877 1.00 0.47 H new ATOM 0 HD11 LEU A 134 1.057 15.045 -6.284 1.00 0.64 H new ATOM 0 HD12 LEU A 134 2.717 14.508 -5.932 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.997 14.186 -7.527 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -0.775 13.406 -6.453 1.00 0.59 H new ATOM 0 HD22 LEU A 134 0.101 12.490 -7.702 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.456 11.671 -6.223 1.00 0.59 H new ATOM 1882 N GLN A 135 3.378 13.234 -3.436 1.00 0.29 N ATOM 1883 CA GLN A 135 4.046 14.355 -2.796 1.00 0.35 C ATOM 1884 C GLN A 135 5.416 13.956 -2.267 1.00 0.36 C ATOM 1885 O GLN A 135 6.422 14.611 -2.536 1.00 0.55 O ATOM 1886 CB GLN A 135 3.183 14.840 -1.640 1.00 0.37 C ATOM 1887 CG GLN A 135 2.894 16.325 -1.661 1.00 0.51 C ATOM 1888 CD GLN A 135 2.675 16.885 -0.269 1.00 1.06 C ATOM 1889 OE1 GLN A 135 3.091 16.288 0.728 1.00 1.43 O ATOM 1890 NE2 GLN A 135 2.014 18.026 -0.188 1.00 1.61 N ATOM 0 H GLN A 135 2.450 13.039 -3.059 1.00 0.29 H new ATOM 0 HA GLN A 135 4.186 15.145 -3.533 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.238 14.297 -1.655 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.679 14.591 -0.702 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.724 16.848 -2.135 1.00 0.51 H new ATOM 0 HG3 GLN A 135 2.010 16.513 -2.270 1.00 0.51 H new ATOM 0 HE21 GLN A 135 1.687 18.487 -1.037 1.00 1.61 H new ATOM 0 HE22 GLN A 135 1.831 18.445 0.723 1.00 1.61 H new ATOM 1899 N LYS A 136 5.440 12.870 -1.511 1.00 0.25 N ATOM 1900 CA LYS A 136 6.659 12.410 -0.868 1.00 0.26 C ATOM 1901 C LYS A 136 7.516 11.601 -1.837 1.00 0.23 C ATOM 1902 O LYS A 136 8.736 11.518 -1.686 1.00 0.25 O ATOM 1903 CB LYS A 136 6.307 11.573 0.360 1.00 0.32 C ATOM 1904 CG LYS A 136 6.221 12.382 1.647 1.00 0.54 C ATOM 1905 CD LYS A 136 4.802 12.860 1.914 1.00 0.50 C ATOM 1906 CE LYS A 136 4.766 13.952 2.973 1.00 0.63 C ATOM 1907 NZ LYS A 136 5.118 15.287 2.420 1.00 1.52 N ATOM 0 H LYS A 136 4.623 12.288 -1.327 1.00 0.25 H new ATOM 0 HA LYS A 136 7.238 13.279 -0.556 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.352 11.076 0.189 1.00 0.32 H new ATOM 0 HB3 LYS A 136 7.056 10.790 0.482 1.00 0.32 H new ATOM 0 HG2 LYS A 136 6.564 11.773 2.484 1.00 0.54 H new ATOM 0 HG3 LYS A 136 6.889 13.241 1.583 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.364 13.236 0.989 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.189 12.019 2.238 1.00 0.50 H new ATOM 0 HE2 LYS A 136 3.770 13.995 3.414 1.00 0.63 H new ATOM 0 HE3 LYS A 136 5.459 13.700 3.776 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 5.329 15.941 3.200 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 5.953 15.199 1.807 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 4.319 15.655 1.866 1.00 1.52 H new ATOM 1921 N VAL A 137 6.867 11.029 -2.843 1.00 0.23 N ATOM 1922 CA VAL A 137 7.545 10.215 -3.841 1.00 0.25 C ATOM 1923 C VAL A 137 8.348 11.088 -4.799 1.00 0.30 C ATOM 1924 O VAL A 137 9.444 10.723 -5.217 1.00 0.33 O ATOM 1925 CB VAL A 137 6.537 9.355 -4.636 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.178 8.754 -5.878 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.969 8.260 -3.749 1.00 0.33 C ATOM 0 H VAL A 137 5.861 11.116 -2.989 1.00 0.23 H new ATOM 0 HA VAL A 137 8.229 9.550 -3.313 1.00 0.25 H new ATOM 0 HB VAL A 137 5.725 10.004 -4.963 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.442 8.155 -6.414 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.536 9.554 -6.526 1.00 0.35 H new ATOM 0 HG13 VAL A 137 8.016 8.122 -5.585 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.260 7.660 -4.320 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.779 7.623 -3.393 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.460 8.710 -2.897 1.00 0.33 H new ATOM 1937 N ALA A 138 7.813 12.259 -5.121 1.00 0.34 N ATOM 1938 CA ALA A 138 8.497 13.186 -6.011 1.00 0.43 C ATOM 1939 C ALA A 138 9.756 13.719 -5.348 1.00 0.43 C ATOM 1940 O ALA A 138 10.669 14.201 -6.015 1.00 0.50 O ATOM 1941 CB ALA A 138 7.575 14.330 -6.398 1.00 0.50 C ATOM 0 H ALA A 138 6.910 12.588 -4.780 1.00 0.34 H new ATOM 0 HA ALA A 138 8.781 12.652 -6.918 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.103 15.013 -7.063 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.697 13.933 -6.907 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.263 14.865 -5.501 1.00 0.50 H new ATOM 1947 N GLN A 139 9.802 13.599 -4.027 1.00 0.39 N ATOM 1948 CA GLN A 139 10.926 14.091 -3.252 1.00 0.43 C ATOM 1949 C GLN A 139 11.862 12.946 -2.886 1.00 0.40 C ATOM 1950 O GLN A 139 12.814 13.124 -2.126 1.00 0.45 O ATOM 1951 CB GLN A 139 10.433 14.794 -1.987 1.00 0.45 C ATOM 1952 CG GLN A 139 9.340 15.817 -2.250 1.00 0.54 C ATOM 1953 CD GLN A 139 9.659 17.176 -1.660 1.00 1.08 C ATOM 1954 OE1 GLN A 139 10.710 17.375 -1.049 1.00 1.76 O ATOM 1955 NE2 GLN A 139 8.758 18.126 -1.844 1.00 1.56 N ATOM 0 H GLN A 139 9.067 13.162 -3.470 1.00 0.39 H new ATOM 0 HA GLN A 139 11.476 14.810 -3.860 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.059 14.046 -1.287 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.275 15.290 -1.504 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.193 15.917 -3.325 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.401 15.455 -1.832 1.00 0.54 H new ATOM 0 HE21 GLN A 139 7.899 17.922 -2.356 1.00 1.56 H new ATOM 0 HE22 GLN A 139 8.922 19.062 -1.474 1.00 1.56 H new ATOM 1964 N MET A 140 11.572 11.764 -3.425 1.00 0.35 N ATOM 1965 CA MET A 140 12.413 10.592 -3.212 1.00 0.35 C ATOM 1966 C MET A 140 13.819 10.826 -3.753 1.00 0.40 C ATOM 1967 O MET A 140 14.005 11.596 -4.697 1.00 0.48 O ATOM 1968 CB MET A 140 11.811 9.376 -3.915 1.00 0.38 C ATOM 1969 CG MET A 140 10.947 8.515 -3.017 1.00 0.66 C ATOM 1970 SD MET A 140 11.568 6.833 -2.885 1.00 0.86 S ATOM 1971 CE MET A 140 10.806 6.096 -4.327 1.00 0.67 C ATOM 0 H MET A 140 10.757 11.594 -4.015 1.00 0.35 H new ATOM 0 HA MET A 140 12.467 10.412 -2.138 1.00 0.35 H new ATOM 0 HB2 MET A 140 11.213 9.716 -4.761 1.00 0.38 H new ATOM 0 HB3 MET A 140 12.618 8.766 -4.320 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.900 8.962 -2.024 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.929 8.495 -3.406 1.00 0.66 H new ATOM 0 HE1 MET A 140 10.020 5.409 -4.012 1.00 0.67 H new ATOM 0 HE2 MET A 140 10.375 6.879 -4.951 1.00 0.67 H new ATOM 0 HE3 MET A 140 11.558 5.550 -4.897 1.00 0.67 H new ATOM 1981 N PRO A 141 14.830 10.183 -3.147 1.00 0.42 N ATOM 1982 CA PRO A 141 16.194 10.212 -3.669 1.00 0.52 C ATOM 1983 C PRO A 141 16.255 9.600 -5.066 1.00 0.61 C ATOM 1984 O PRO A 141 16.227 8.378 -5.224 1.00 0.67 O ATOM 1985 CB PRO A 141 16.997 9.369 -2.669 1.00 0.55 C ATOM 1986 CG PRO A 141 15.993 8.598 -1.882 1.00 0.53 C ATOM 1987 CD PRO A 141 14.725 9.401 -1.904 1.00 0.46 C ATOM 0 HA PRO A 141 16.581 11.226 -3.767 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.685 8.700 -3.186 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.599 10.004 -2.018 1.00 0.55 H new ATOM 0 HG2 PRO A 141 15.835 7.611 -2.317 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.337 8.444 -0.859 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.844 8.759 -1.908 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.645 10.047 -1.030 1.00 0.46 H new ATOM 1995 N GLN A 142 16.346 10.461 -6.073 1.00 0.76 N ATOM 1996 CA GLN A 142 16.270 10.043 -7.472 1.00 0.94 C ATOM 1997 C GLN A 142 17.537 9.327 -7.927 1.00 0.93 C ATOM 1998 O GLN A 142 17.672 8.958 -9.093 1.00 1.17 O ATOM 1999 CB GLN A 142 16.023 11.261 -8.361 1.00 1.21 C ATOM 2000 CG GLN A 142 14.571 11.432 -8.777 1.00 1.60 C ATOM 2001 CD GLN A 142 13.869 12.523 -7.997 1.00 2.34 C ATOM 2002 OE1 GLN A 142 14.379 13.638 -7.863 1.00 2.87 O ATOM 2003 NE2 GLN A 142 12.692 12.216 -7.484 1.00 2.91 N ATOM 0 H GLN A 142 16.474 11.465 -5.946 1.00 0.76 H new ATOM 0 HA GLN A 142 15.442 9.339 -7.560 1.00 0.94 H new ATOM 0 HB2 GLN A 142 16.348 12.157 -7.832 1.00 1.21 H new ATOM 0 HB3 GLN A 142 16.640 11.178 -9.256 1.00 1.21 H new ATOM 0 HG2 GLN A 142 14.526 11.664 -9.841 1.00 1.60 H new ATOM 0 HG3 GLN A 142 14.042 10.490 -8.634 1.00 1.60 H new ATOM 0 HE21 GLN A 142 12.305 11.282 -7.618 1.00 2.91 H new ATOM 0 HE22 GLN A 142 12.169 12.913 -6.954 1.00 2.91 H new ATOM 2012 N GLU A 143 18.456 9.137 -7.005 1.00 0.80 N ATOM 2013 CA GLU A 143 19.735 8.548 -7.310 1.00 0.91 C ATOM 2014 C GLU A 143 19.872 7.179 -6.661 1.00 0.87 C ATOM 2015 O GLU A 143 20.475 6.269 -7.230 1.00 1.20 O ATOM 2016 CB GLU A 143 20.811 9.478 -6.793 1.00 1.04 C ATOM 2017 CG GLU A 143 20.503 10.941 -7.056 1.00 1.22 C ATOM 2018 CD GLU A 143 20.506 11.769 -5.790 1.00 1.94 C ATOM 2019 OE1 GLU A 143 19.668 11.503 -4.900 1.00 2.70 O ATOM 2020 OE2 GLU A 143 21.347 12.681 -5.673 1.00 2.30 O ATOM 0 H GLU A 143 18.334 9.388 -6.024 1.00 0.80 H new ATOM 0 HA GLU A 143 19.830 8.412 -8.387 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.932 9.324 -5.721 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.761 9.222 -7.261 1.00 1.04 H new ATOM 0 HG2 GLU A 143 21.238 11.345 -7.752 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.529 11.023 -7.538 1.00 1.22 H new ATOM 2027 N GLU A 144 19.317 7.070 -5.452 1.00 0.77 N ATOM 2028 CA GLU A 144 19.357 5.846 -4.649 1.00 0.77 C ATOM 2029 C GLU A 144 20.746 5.632 -4.054 1.00 0.82 C ATOM 2030 O GLU A 144 21.768 5.802 -4.724 1.00 1.16 O ATOM 2031 CB GLU A 144 18.919 4.612 -5.452 1.00 0.82 C ATOM 2032 CG GLU A 144 19.037 3.304 -4.677 1.00 1.04 C ATOM 2033 CD GLU A 144 18.099 3.232 -3.488 1.00 1.58 C ATOM 2034 OE1 GLU A 144 18.292 4.011 -2.534 1.00 2.34 O ATOM 2035 OE2 GLU A 144 17.155 2.408 -3.509 1.00 1.87 O ATOM 0 H GLU A 144 18.822 7.838 -4.998 1.00 0.77 H new ATOM 0 HA GLU A 144 18.643 5.975 -3.835 1.00 0.77 H new ATOM 0 HB2 GLU A 144 17.885 4.744 -5.769 1.00 0.82 H new ATOM 0 HB3 GLU A 144 19.524 4.544 -6.356 1.00 0.82 H new ATOM 0 HG2 GLU A 144 18.828 2.471 -5.348 1.00 1.04 H new ATOM 0 HG3 GLU A 144 20.064 3.185 -4.330 1.00 1.04 H new ATOM 2042 N VAL A 145 20.765 5.276 -2.780 1.00 0.63 N ATOM 2043 CA VAL A 145 22.002 5.036 -2.055 1.00 0.68 C ATOM 2044 C VAL A 145 21.830 3.821 -1.158 1.00 0.61 C ATOM 2045 O VAL A 145 21.095 3.873 -0.174 1.00 0.61 O ATOM 2046 CB VAL A 145 22.415 6.246 -1.181 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.774 5.997 -0.543 1.00 0.99 C ATOM 2048 CG2 VAL A 145 22.433 7.535 -1.992 1.00 0.88 C ATOM 0 H VAL A 145 19.923 5.145 -2.219 1.00 0.63 H new ATOM 0 HA VAL A 145 22.787 4.871 -2.793 1.00 0.68 H new ATOM 0 HB VAL A 145 21.672 6.361 -0.392 1.00 0.78 H new ATOM 0 HG11 VAL A 145 24.052 6.856 0.068 1.00 0.99 H new ATOM 0 HG12 VAL A 145 23.724 5.106 0.083 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.521 5.850 -1.323 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.727 8.365 -1.349 1.00 0.88 H new ATOM 0 HG22 VAL A 145 23.146 7.440 -2.811 1.00 0.88 H new ATOM 0 HG23 VAL A 145 21.439 7.724 -2.397 1.00 0.88 H new ATOM 2058 N GLU A 146 22.472 2.721 -1.510 1.00 0.66 N ATOM 2059 CA GLU A 146 22.415 1.528 -0.680 1.00 0.68 C ATOM 2060 C GLU A 146 23.136 1.789 0.632 1.00 0.72 C ATOM 2061 O GLU A 146 24.263 2.287 0.639 1.00 0.75 O ATOM 2062 CB GLU A 146 23.044 0.337 -1.394 1.00 0.79 C ATOM 2063 CG GLU A 146 22.487 -1.002 -0.940 1.00 1.00 C ATOM 2064 CD GLU A 146 22.384 -2.004 -2.069 1.00 1.10 C ATOM 2065 OE1 GLU A 146 22.547 -1.611 -3.241 1.00 1.53 O ATOM 2066 OE2 GLU A 146 22.146 -3.190 -1.792 1.00 1.24 O ATOM 0 H GLU A 146 23.034 2.628 -2.356 1.00 0.66 H new ATOM 0 HA GLU A 146 21.370 1.290 -0.482 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.887 0.442 -2.468 1.00 0.79 H new ATOM 0 HB3 GLU A 146 24.121 0.350 -1.226 1.00 0.79 H new ATOM 0 HG2 GLU A 146 23.125 -1.409 -0.155 1.00 1.00 H new ATOM 0 HG3 GLU A 146 21.500 -0.851 -0.502 1.00 1.00 H new ATOM 2073 N LEU A 147 22.492 1.459 1.736 1.00 0.76 N ATOM 2074 CA LEU A 147 23.050 1.764 3.036 1.00 0.86 C ATOM 2075 C LEU A 147 24.097 0.725 3.418 1.00 1.01 C ATOM 2076 O LEU A 147 23.969 -0.441 2.980 1.00 1.57 O ATOM 2077 CB LEU A 147 21.953 1.833 4.101 1.00 0.86 C ATOM 2078 CG LEU A 147 20.699 2.613 3.694 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.542 2.285 4.626 1.00 0.80 C ATOM 2080 CD2 LEU A 147 20.971 4.112 3.684 1.00 0.82 C ATOM 2081 OXT LEU A 147 25.058 1.074 4.131 1.00 1.46 O ATOM 0 H LEU A 147 21.590 0.984 1.757 1.00 0.76 H new ATOM 0 HA LEU A 147 23.529 2.742 2.980 1.00 0.86 H new ATOM 0 HB2 LEU A 147 21.660 0.817 4.365 1.00 0.86 H new ATOM 0 HB3 LEU A 147 22.369 2.288 5.000 1.00 0.86 H new ATOM 0 HG LEU A 147 20.424 2.312 2.683 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.659 2.848 4.322 1.00 0.80 H new ATOM 0 HD12 LEU A 147 19.326 1.218 4.577 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.810 2.554 5.648 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.066 4.644 3.392 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.275 4.433 4.680 1.00 0.82 H new ATOM 0 HD23 LEU A 147 21.767 4.333 2.973 1.00 0.82 H new TER 2093 LEU A 147 ATOM 2094 N GLY B 311 -19.265 -0.788 6.459 1.00 2.17 N ATOM 2095 CA GLY B 311 -18.201 -1.355 5.596 1.00 1.75 C ATOM 2096 C GLY B 311 -18.101 -0.620 4.277 1.00 1.45 C ATOM 2097 O GLY B 311 -18.154 0.609 4.248 1.00 1.85 O ATOM 0 HA2 GLY B 311 -17.244 -1.303 6.116 1.00 1.75 H new ATOM 0 HA3 GLY B 311 -18.406 -2.409 5.411 1.00 1.75 H new HETATM 2101 OH ALY B 312 -11.924 -0.261 -0.178 1.00 1.52 O HETATM 2102 CH ALY B 312 -11.692 -1.024 0.761 1.00 1.37 C HETATM 2103 CH3 ALY B 312 -10.436 -0.884 1.576 1.00 1.86 C HETATM 2104 NZ ALY B 312 -12.516 -2.001 1.119 1.00 1.27 N HETATM 2105 CE ALY B 312 -13.778 -2.288 0.444 1.00 1.51 C HETATM 2106 CD ALY B 312 -14.958 -1.632 1.142 1.00 1.71 C HETATM 2107 CG ALY B 312 -16.161 -2.563 1.191 1.00 1.76 C HETATM 2108 CB ALY B 312 -17.447 -1.834 0.833 1.00 1.59 C HETATM 2109 CA ALY B 312 -17.861 -0.773 1.858 1.00 1.22 C HETATM 2110 N ALY B 312 -17.970 -1.365 3.186 1.00 1.27 N HETATM 2111 C ALY B 312 -19.184 -0.137 1.447 1.00 1.31 C HETATM 2112 O ALY B 312 -20.151 -0.835 1.139 1.00 1.71 O HETATM 0 HH33 ALY B 312 -9.567 -1.005 0.929 1.00 1.86 H new HETATM 0 HH32 ALY B 312 -10.410 0.103 2.038 1.00 1.86 H new HETATM 0 HH31 ALY B 312 -10.419 -1.648 2.353 1.00 1.86 H new HETATM 0 HZ ALY B 312 -12.252 -2.585 1.912 1.00 1.27 H new HETATM 0 HG3 ALY B 312 -16.250 -2.991 2.189 1.00 1.76 H new HETATM 0 HG2 ALY B 312 -16.008 -3.393 0.501 1.00 1.76 H new HETATM 0 HE3 ALY B 312 -13.932 -3.366 0.407 1.00 1.51 H new HETATM 0 HE2 ALY B 312 -13.726 -1.938 -0.587 1.00 1.51 H new HETATM 0 HD3 ALY B 312 -15.227 -0.714 0.620 1.00 1.71 H new HETATM 0 HD2 ALY B 312 -14.673 -1.350 2.155 1.00 1.71 H new HETATM 0 HCA ALY B 312 -17.096 0.002 1.890 1.00 1.22 H new HETATM 0 HB3 ALY B 312 -18.251 -2.563 0.733 1.00 1.59 H new HETATM 0 HB2 ALY B 312 -17.325 -1.358 -0.140 1.00 1.59 H new HETATM 0 H ALY B 312 -17.778 -2.358 3.319 1.00 1.27 H new ATOM 2127 N GLY B 313 -19.227 1.184 1.463 1.00 1.29 N ATOM 2128 CA GLY B 313 -20.437 1.892 1.112 1.00 1.46 C ATOM 2129 C GLY B 313 -20.658 3.113 1.981 1.00 1.36 C ATOM 2130 O GLY B 313 -21.479 3.083 2.902 1.00 1.97 O ATOM 0 H GLY B 313 -18.440 1.782 1.715 1.00 1.29 H new ATOM 0 HA2 GLY B 313 -20.388 2.196 0.067 1.00 1.46 H new ATOM 0 HA3 GLY B 313 -21.290 1.220 1.208 1.00 1.46 H new ATOM 2134 N LYS B 314 -19.903 4.173 1.696 1.00 1.20 N ATOM 2135 CA LYS B 314 -20.031 5.454 2.391 1.00 1.15 C ATOM 2136 C LYS B 314 -19.734 5.317 3.883 1.00 1.02 C ATOM 2137 O LYS B 314 -20.639 5.179 4.707 1.00 1.28 O ATOM 2138 CB LYS B 314 -21.424 6.054 2.173 1.00 1.53 C ATOM 2139 CG LYS B 314 -21.560 6.804 0.855 1.00 1.97 C ATOM 2140 CD LYS B 314 -22.917 6.570 0.212 1.00 2.24 C ATOM 2141 CE LYS B 314 -22.943 5.278 -0.588 1.00 2.95 C ATOM 2142 NZ LYS B 314 -24.269 4.609 -0.517 1.00 3.58 N ATOM 0 H LYS B 314 -19.183 4.168 0.974 1.00 1.20 H new ATOM 0 HA LYS B 314 -19.290 6.132 1.966 1.00 1.15 H new ATOM 0 HB2 LYS B 314 -22.165 5.255 2.206 1.00 1.53 H new ATOM 0 HB3 LYS B 314 -21.651 6.734 2.994 1.00 1.53 H new ATOM 0 HG2 LYS B 314 -21.418 7.871 1.027 1.00 1.97 H new ATOM 0 HG3 LYS B 314 -20.773 6.484 0.172 1.00 1.97 H new ATOM 0 HD2 LYS B 314 -23.685 6.535 0.985 1.00 2.24 H new ATOM 0 HD3 LYS B 314 -23.160 7.408 -0.441 1.00 2.24 H new ATOM 0 HE2 LYS B 314 -22.699 5.490 -1.629 1.00 2.95 H new ATOM 0 HE3 LYS B 314 -22.175 4.602 -0.212 1.00 2.95 H new ATOM 0 HZ1 LYS B 314 -24.246 3.732 -1.075 1.00 3.58 H new ATOM 0 HZ2 LYS B 314 -24.491 4.383 0.474 1.00 3.58 H new ATOM 0 HZ3 LYS B 314 -24.999 5.243 -0.900 1.00 3.58 H new HETATM 2156 OH ALY B 315 -15.166 -0.741 5.651 1.00 1.76 O HETATM 2157 CH ALY B 315 -14.477 0.139 6.171 1.00 1.07 C HETATM 2158 CH3 ALY B 315 -13.878 -0.055 7.540 1.00 1.45 C HETATM 2159 NZ ALY B 315 -14.219 1.300 5.576 1.00 1.04 N HETATM 2160 CE ALY B 315 -14.717 1.666 4.248 1.00 1.26 C HETATM 2161 CD ALY B 315 -15.214 3.102 4.205 1.00 1.06 C HETATM 2162 CG ALY B 315 -16.525 3.257 4.956 1.00 0.98 C HETATM 2163 CB ALY B 315 -16.614 4.604 5.653 1.00 0.92 C HETATM 2164 CA ALY B 315 -18.011 5.228 5.606 1.00 0.90 C HETATM 2165 N ALY B 315 -18.453 5.371 4.223 1.00 0.86 N HETATM 2166 C ALY B 315 -18.000 6.580 6.323 1.00 1.19 C HETATM 2167 O ALY B 315 -16.964 7.026 6.824 1.00 1.94 O HETATM 0 HH33 ALY B 315 -14.675 -0.216 8.266 1.00 1.45 H new HETATM 0 HH32 ALY B 315 -13.217 -0.922 7.528 1.00 1.45 H new HETATM 0 HH31 ALY B 315 -13.308 0.832 7.817 1.00 1.45 H new HETATM 0 HZ ALY B 315 -13.640 1.976 6.074 1.00 1.04 H new HETATM 0 HG3 ALY B 315 -16.620 2.459 5.692 1.00 0.98 H new HETATM 0 HG2 ALY B 315 -17.358 3.151 4.261 1.00 0.98 H new HETATM 0 HE3 ALY B 315 -15.527 0.993 3.966 1.00 1.26 H new HETATM 0 HE2 ALY B 315 -13.922 1.535 3.513 1.00 1.26 H new HETATM 0 HD3 ALY B 315 -15.348 3.412 3.168 1.00 1.06 H new HETATM 0 HD2 ALY B 315 -14.463 3.762 4.640 1.00 1.06 H new HETATM 0 HCA ALY B 315 -18.715 4.573 6.118 1.00 0.90 H new HETATM 0 HB3 ALY B 315 -15.903 5.290 5.192 1.00 0.92 H new HETATM 0 HB2 ALY B 315 -16.313 4.485 6.694 1.00 0.92 H new HETATM 0 H ALY B 315 -17.847 5.069 3.460 1.00 0.86 H new ATOM 2182 N LYS B 316 -19.155 7.222 6.380 1.00 1.45 N ATOM 2183 CA LYS B 316 -19.268 8.520 7.026 1.00 1.75 C ATOM 2184 C LYS B 316 -19.979 8.386 8.362 1.00 2.25 C ATOM 2185 O LYS B 316 -19.799 9.269 9.220 1.00 2.57 O ATOM 2186 CB LYS B 316 -20.006 9.513 6.126 1.00 2.43 C ATOM 2187 CG LYS B 316 -21.374 9.036 5.662 1.00 2.91 C ATOM 2188 CD LYS B 316 -21.990 10.010 4.670 1.00 3.60 C ATOM 2189 CE LYS B 316 -21.434 9.814 3.269 1.00 4.12 C ATOM 2190 NZ LYS B 316 -20.206 10.620 3.038 1.00 4.60 N ATOM 0 H LYS B 316 -20.027 6.867 5.988 1.00 1.45 H new ATOM 0 HA LYS B 316 -18.263 8.902 7.202 1.00 1.75 H new ATOM 0 HB2 LYS B 316 -20.125 10.454 6.663 1.00 2.43 H new ATOM 0 HB3 LYS B 316 -19.390 9.721 5.251 1.00 2.43 H new ATOM 0 HG2 LYS B 316 -21.282 8.053 5.200 1.00 2.91 H new ATOM 0 HG3 LYS B 316 -22.034 8.924 6.522 1.00 2.91 H new ATOM 0 HD2 LYS B 316 -23.072 9.877 4.654 1.00 3.60 H new ATOM 0 HD3 LYS B 316 -21.799 11.032 4.997 1.00 3.60 H new ATOM 0 HE2 LYS B 316 -21.210 8.759 3.113 1.00 4.12 H new ATOM 0 HE3 LYS B 316 -22.192 10.091 2.536 1.00 4.12 H new ATOM 0 HZ1 LYS B 316 -20.116 10.833 2.024 1.00 4.60 H new ATOM 0 HZ2 LYS B 316 -20.268 11.509 3.575 1.00 4.60 H new ATOM 0 HZ3 LYS B 316 -19.373 10.083 3.354 1.00 4.60 H new TER 2204 LYS B 316