USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 GLN : amide:sc= 0.646 K(o=1.8,f=-7.3!) USER MOD Set 1.2: A 136 LYS NZ :NH3+ -172:sc= 1.11 (180deg=0) USER MOD Set 2.1: A 112 CYS SG : rot 40:sc= -2.53! USER MOD Set 2.2: A 116 ASN : amide:sc= -0.534 K(o=-3.1,f=-2.6) USER MOD Set 3.1: A 113 TYR OH : rot 180:sc= 0.858 USER MOD Set 3.2: A 127 GLN : amide:sc= 1.14 X(o=2,f=1.9) USER MOD Set 4.1: A 36 THR OG1 : rot 91:sc= 1.9 USER MOD Set 4.2: A 97 SER OG : rot 78:sc= 0.823 USER MOD Set 5.1: A 95 TYR OH : rot 76:sc= 0.792 USER MOD Set 5.2: A 101 CYS SG : rot -120:sc= -0.5 USER MOD Set 6.1: A 31 LYS NZ :NH3+ -161:sc= 0.00264 (180deg=0) USER MOD Set 6.2: A 94 TYR OH : rot 180:sc= 0.0029 USER MOD Set 7.1: A 73 TYR OH : rot -175:sc= 1.06 USER MOD Set 7.2: A 111 ASN : amide:sc= 1.68 K(o=2.7,f=-4.3!) USER MOD Set 8.1: A 35 LYS NZ :NH3+ 153:sc= 0.948 (180deg=0) USER MOD Set 8.2: A 40 GLN : amide:sc= 0.367 K(o=1.7,f=-3.6!) USER MOD Set 8.3: A 43 GLN : amide:sc= 0.336 K(o=1.7,f=0.38) USER MOD Set 9.1: A 42 MET CE :methyl -146:sc= -0.735 (180deg=-2.45!) USER MOD Set 9.2: A 102 MET CE :methyl -176:sc= -0.0043 (180deg=0) USER MOD Set 9.3: A 140 MET CE :methyl -111:sc= -0.11 (180deg=-0.00164) USER MOD Set10.1: A 27 SER OG : rot 180:sc= -1.07 USER MOD Set10.2: A 92 ASN : amide:sc= 0.509 K(o=-0.56,f=-2!) USER MOD Single : A 28 ASN : amide:sc= 0.258 K(o=0.26,f=-6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00707 USER MOD Single : A 37 ASN : amide:sc= -0.0539 K(o=-0.054,f=-1.8!) USER MOD Single : A 38 GLN : amide:sc= 0.549 K(o=0.55,f=-0.9) USER MOD Single : A 41 TYR OH : rot -95:sc= 1.05 USER MOD Single : A 44 ASN : amide:sc= 0.54 K(o=0.54,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 92:sc= 1.11 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -4.4! C(o=-4.4!,f=-6.3!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot -8:sc= 1.26 USER MOD Single : A 61 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.048) USER MOD Single : A 67 LYS NZ :NH3+ -145:sc= -0.0201 (180deg=-2.78!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 74 HIS : no HD1:sc= -2.85! C(o=-2.8!,f=-5.4!) USER MOD Single : A 75 LYS NZ :NH3+ -141:sc= 1.22 (180deg=-0.637) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0341 K(o=-0.034,f=-0.55) USER MOD Single : A 81 MET CE :methyl -101:sc= -0.236 (180deg=-1.84!) USER MOD Single : A 83 MET CE :methyl -136:sc= -0.0412 (180deg=-2.13!) USER MOD Single : A 85 THR OG1 : rot -125:sc= 1.08 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0.975 (180deg=0.975) USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0365) USER MOD Single : A 93 ASN : amide:sc= 0.253 K(o=0.25,f=-0.87) USER MOD Single : A 99 SER OG : rot 180:sc= -0.0686 USER MOD Single : A 103 GLN : amide:sc= 0.157 X(o=0.16,f=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 82:sc= 1.04 USER MOD Single : A 108 MET CE :methyl 179:sc= -1.05 (180deg=-1.05) USER MOD Single : A 110 THR OG1 : rot 177:sc= -0.509 USER MOD Single : A 115 TYR OH : rot -25:sc= 1.24 USER MOD Single : A 117 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.14) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 GLN : amide:sc= 0.632 K(o=0.63,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 26 5.404 -12.679 2.600 1.00 0.93 N ATOM 69 CA VAL A 26 5.718 -11.541 3.439 1.00 0.84 C ATOM 70 C VAL A 26 7.179 -11.608 3.878 1.00 0.83 C ATOM 71 O VAL A 26 7.770 -10.610 4.292 1.00 0.85 O ATOM 72 CB VAL A 26 4.770 -11.465 4.661 1.00 0.83 C ATOM 73 CG1 VAL A 26 5.036 -12.597 5.645 1.00 0.93 C ATOM 74 CG2 VAL A 26 4.875 -10.109 5.348 1.00 0.83 C ATOM 0 HA VAL A 26 5.569 -10.630 2.859 1.00 0.84 H new ATOM 0 HB VAL A 26 3.750 -11.581 4.294 1.00 0.83 H new ATOM 0 HG11 VAL A 26 4.353 -12.512 6.490 1.00 0.93 H new ATOM 0 HG12 VAL A 26 4.882 -13.555 5.148 1.00 0.93 H new ATOM 0 HG13 VAL A 26 6.064 -12.535 6.002 1.00 0.93 H new ATOM 0 HG21 VAL A 26 4.199 -10.081 6.203 1.00 0.83 H new ATOM 0 HG22 VAL A 26 5.898 -9.952 5.689 1.00 0.83 H new ATOM 0 HG23 VAL A 26 4.602 -9.323 4.644 1.00 0.83 H new ATOM 84 N SER A 27 7.750 -12.801 3.757 1.00 0.91 N ATOM 85 CA SER A 27 9.147 -13.034 4.049 1.00 1.00 C ATOM 86 C SER A 27 9.622 -14.300 3.347 1.00 1.07 C ATOM 87 O SER A 27 8.914 -15.306 3.325 1.00 1.19 O ATOM 88 CB SER A 27 9.349 -13.187 5.551 1.00 1.15 C ATOM 89 OG SER A 27 8.113 -13.340 6.230 1.00 1.61 O ATOM 0 H SER A 27 7.248 -13.635 3.451 1.00 0.91 H new ATOM 0 HA SER A 27 9.724 -12.182 3.691 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.982 -14.052 5.747 1.00 1.15 H new ATOM 0 HB3 SER A 27 9.873 -12.314 5.939 1.00 1.15 H new ATOM 0 HG SER A 27 8.278 -13.437 7.191 1.00 1.61 H new ATOM 95 N ASN A 28 10.804 -14.242 2.762 1.00 1.07 N ATOM 96 CA ASN A 28 11.418 -15.424 2.179 1.00 1.18 C ATOM 97 C ASN A 28 12.897 -15.460 2.549 1.00 1.23 C ATOM 98 O ASN A 28 13.636 -14.518 2.268 1.00 1.12 O ATOM 99 CB ASN A 28 11.231 -15.450 0.654 1.00 1.19 C ATOM 100 CG ASN A 28 11.698 -16.755 0.024 1.00 1.39 C ATOM 101 OD1 ASN A 28 12.880 -17.102 0.076 1.00 1.60 O ATOM 102 ND2 ASN A 28 10.778 -17.480 -0.595 1.00 1.48 N ATOM 0 H ASN A 28 11.359 -13.390 2.677 1.00 1.07 H new ATOM 0 HA ASN A 28 10.929 -16.312 2.580 1.00 1.18 H new ATOM 0 HB2 ASN A 28 10.178 -15.295 0.419 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.782 -14.620 0.211 1.00 1.19 H new ATOM 0 HD21 ASN A 28 11.039 -18.356 -1.048 1.00 1.48 H new ATOM 0 HD22 ASN A 28 9.809 -17.162 -0.618 1.00 1.48 H new ATOM 109 N PRO A 29 13.339 -16.552 3.194 1.00 1.46 N ATOM 110 CA PRO A 29 14.716 -16.689 3.701 1.00 1.60 C ATOM 111 C PRO A 29 15.770 -16.602 2.598 1.00 1.54 C ATOM 112 O PRO A 29 16.768 -15.891 2.733 1.00 1.54 O ATOM 113 CB PRO A 29 14.718 -18.093 4.318 1.00 1.87 C ATOM 114 CG PRO A 29 13.599 -18.799 3.639 1.00 1.86 C ATOM 115 CD PRO A 29 12.540 -17.761 3.467 1.00 1.65 C ATOM 0 HA PRO A 29 14.971 -15.888 4.395 1.00 1.60 H new ATOM 0 HB2 PRO A 29 15.668 -18.600 4.149 1.00 1.87 H new ATOM 0 HB3 PRO A 29 14.566 -18.053 5.397 1.00 1.87 H new ATOM 0 HG2 PRO A 29 13.913 -19.206 2.678 1.00 1.86 H new ATOM 0 HG3 PRO A 29 13.239 -19.636 4.237 1.00 1.86 H new ATOM 0 HD2 PRO A 29 11.865 -17.999 2.645 1.00 1.65 H new ATOM 0 HD3 PRO A 29 11.927 -17.652 4.361 1.00 1.65 H new ATOM 123 N SER A 30 15.533 -17.318 1.510 1.00 1.57 N ATOM 124 CA SER A 30 16.486 -17.416 0.427 1.00 1.63 C ATOM 125 C SER A 30 16.439 -16.173 -0.455 1.00 1.47 C ATOM 126 O SER A 30 17.445 -15.770 -1.040 1.00 1.58 O ATOM 127 CB SER A 30 16.152 -18.660 -0.385 1.00 1.81 C ATOM 128 OG SER A 30 15.689 -19.702 0.462 1.00 2.18 O ATOM 0 H SER A 30 14.673 -17.846 1.357 1.00 1.57 H new ATOM 0 HA SER A 30 17.496 -17.489 0.830 1.00 1.63 H new ATOM 0 HB2 SER A 30 15.390 -18.422 -1.127 1.00 1.81 H new ATOM 0 HB3 SER A 30 17.035 -18.993 -0.930 1.00 1.81 H new ATOM 0 HG SER A 30 15.478 -20.492 -0.077 1.00 2.18 H new ATOM 134 N LYS A 31 15.261 -15.567 -0.528 1.00 1.28 N ATOM 135 CA LYS A 31 15.039 -14.396 -1.376 1.00 1.14 C ATOM 136 C LYS A 31 15.816 -13.186 -0.869 1.00 1.01 C ATOM 137 O LYS A 31 15.825 -12.909 0.333 1.00 1.03 O ATOM 138 CB LYS A 31 13.551 -14.057 -1.424 1.00 1.14 C ATOM 139 CG LYS A 31 13.183 -13.032 -2.485 1.00 1.18 C ATOM 140 CD LYS A 31 11.876 -12.332 -2.149 1.00 1.26 C ATOM 141 CE LYS A 31 11.428 -11.408 -3.272 1.00 1.93 C ATOM 142 NZ LYS A 31 10.698 -12.142 -4.339 1.00 2.75 N ATOM 0 H LYS A 31 14.437 -15.868 -0.007 1.00 1.28 H new ATOM 0 HA LYS A 31 15.395 -14.640 -2.377 1.00 1.14 H new ATOM 0 HB2 LYS A 31 12.986 -14.971 -1.606 1.00 1.14 H new ATOM 0 HB3 LYS A 31 13.243 -13.681 -0.448 1.00 1.14 H new ATOM 0 HG2 LYS A 31 13.981 -12.294 -2.573 1.00 1.18 H new ATOM 0 HG3 LYS A 31 13.096 -13.524 -3.454 1.00 1.18 H new ATOM 0 HD2 LYS A 31 11.103 -13.076 -1.960 1.00 1.26 H new ATOM 0 HD3 LYS A 31 11.997 -11.757 -1.231 1.00 1.26 H new ATOM 0 HE2 LYS A 31 10.786 -10.627 -2.865 1.00 1.93 H new ATOM 0 HE3 LYS A 31 12.298 -10.913 -3.703 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 10.693 -11.574 -5.210 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 11.171 -13.050 -4.521 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 9.719 -12.316 -4.033 1.00 2.75 H new ATOM 156 N PRO A 32 16.498 -12.470 -1.783 1.00 0.99 N ATOM 157 CA PRO A 32 17.172 -11.208 -1.472 1.00 0.97 C ATOM 158 C PRO A 32 16.281 -10.227 -0.717 1.00 0.85 C ATOM 159 O PRO A 32 15.087 -10.101 -0.996 1.00 0.89 O ATOM 160 CB PRO A 32 17.501 -10.646 -2.851 1.00 1.14 C ATOM 161 CG PRO A 32 17.688 -11.844 -3.707 1.00 1.38 C ATOM 162 CD PRO A 32 16.700 -12.859 -3.198 1.00 1.13 C ATOM 0 HA PRO A 32 18.035 -11.364 -0.825 1.00 0.97 H new ATOM 0 HB2 PRO A 32 16.695 -10.014 -3.224 1.00 1.14 H new ATOM 0 HB3 PRO A 32 18.402 -10.033 -2.825 1.00 1.14 H new ATOM 0 HG2 PRO A 32 17.505 -11.610 -4.756 1.00 1.38 H new ATOM 0 HG3 PRO A 32 18.709 -12.221 -3.638 1.00 1.38 H new ATOM 0 HD2 PRO A 32 15.767 -12.826 -3.760 1.00 1.13 H new ATOM 0 HD3 PRO A 32 17.088 -13.874 -3.283 1.00 1.13 H new ATOM 170 N GLY A 33 16.884 -9.539 0.228 1.00 0.83 N ATOM 171 CA GLY A 33 16.190 -8.530 0.992 1.00 0.79 C ATOM 172 C GLY A 33 17.178 -7.572 1.609 1.00 0.76 C ATOM 173 O GLY A 33 18.028 -7.982 2.402 1.00 0.97 O ATOM 0 H GLY A 33 17.863 -9.663 0.486 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.499 -7.986 0.347 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.593 -9.001 1.773 1.00 0.79 H new ATOM 177 N ARG A 34 17.105 -6.311 1.218 1.00 0.81 N ATOM 178 CA ARG A 34 18.071 -5.326 1.673 1.00 0.79 C ATOM 179 C ARG A 34 17.375 -4.075 2.172 1.00 0.79 C ATOM 180 O ARG A 34 16.224 -3.814 1.834 1.00 0.97 O ATOM 181 CB ARG A 34 19.035 -4.965 0.541 1.00 0.82 C ATOM 182 CG ARG A 34 19.884 -6.134 0.076 1.00 1.24 C ATOM 183 CD ARG A 34 21.059 -6.371 1.007 1.00 1.04 C ATOM 184 NE ARG A 34 22.259 -5.683 0.540 1.00 0.98 N ATOM 185 CZ ARG A 34 23.491 -5.939 0.973 1.00 1.43 C ATOM 186 NH1 ARG A 34 23.713 -6.917 1.844 1.00 1.93 N ATOM 187 NH2 ARG A 34 24.506 -5.212 0.526 1.00 1.56 N ATOM 0 H ARG A 34 16.390 -5.946 0.589 1.00 0.81 H new ATOM 0 HA ARG A 34 18.634 -5.763 2.498 1.00 0.79 H new ATOM 0 HB2 ARG A 34 18.464 -4.582 -0.304 1.00 0.82 H new ATOM 0 HB3 ARG A 34 19.690 -4.160 0.874 1.00 0.82 H new ATOM 0 HG2 ARG A 34 19.271 -7.034 0.026 1.00 1.24 H new ATOM 0 HG3 ARG A 34 20.250 -5.941 -0.932 1.00 1.24 H new ATOM 0 HD2 ARG A 34 20.806 -6.024 2.009 1.00 1.04 H new ATOM 0 HD3 ARG A 34 21.257 -7.440 1.080 1.00 1.04 H new ATOM 0 HE ARG A 34 22.145 -4.956 -0.167 1.00 0.98 H new ATOM 0 HH11 ARG A 34 22.935 -7.480 2.187 1.00 1.93 H new ATOM 0 HH12 ARG A 34 24.661 -7.105 2.169 1.00 1.93 H new ATOM 0 HH21 ARG A 34 24.340 -4.462 -0.145 1.00 1.56 H new ATOM 0 HH22 ARG A 34 25.453 -5.403 0.854 1.00 1.56 H new ATOM 201 N LYS A 35 18.073 -3.313 2.986 1.00 0.80 N ATOM 202 CA LYS A 35 17.554 -2.055 3.477 1.00 0.82 C ATOM 203 C LYS A 35 18.212 -0.907 2.732 1.00 0.77 C ATOM 204 O LYS A 35 19.206 -0.345 3.184 1.00 0.93 O ATOM 205 CB LYS A 35 17.804 -1.924 4.979 1.00 0.87 C ATOM 206 CG LYS A 35 16.593 -2.269 5.830 1.00 1.42 C ATOM 207 CD LYS A 35 16.993 -2.641 7.249 1.00 1.71 C ATOM 208 CE LYS A 35 16.820 -1.468 8.203 1.00 1.85 C ATOM 209 NZ LYS A 35 15.468 -1.449 8.823 1.00 2.64 N ATOM 0 H LYS A 35 19.007 -3.545 3.323 1.00 0.80 H new ATOM 0 HA LYS A 35 16.478 -2.024 3.305 1.00 0.82 H new ATOM 0 HB2 LYS A 35 18.632 -2.575 5.259 1.00 0.87 H new ATOM 0 HB3 LYS A 35 18.113 -0.902 5.200 1.00 0.87 H new ATOM 0 HG2 LYS A 35 15.911 -1.419 5.855 1.00 1.42 H new ATOM 0 HG3 LYS A 35 16.052 -3.099 5.375 1.00 1.42 H new ATOM 0 HD2 LYS A 35 16.388 -3.481 7.590 1.00 1.71 H new ATOM 0 HD3 LYS A 35 18.032 -2.971 7.261 1.00 1.71 H new ATOM 0 HE2 LYS A 35 17.577 -1.522 8.985 1.00 1.85 H new ATOM 0 HE3 LYS A 35 16.985 -0.535 7.664 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 15.516 -0.974 9.747 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 14.809 -0.935 8.203 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 15.132 -2.425 8.953 1.00 2.64 H new ATOM 223 N THR A 36 17.671 -0.576 1.575 1.00 0.59 N ATOM 224 CA THR A 36 18.225 0.494 0.771 1.00 0.54 C ATOM 225 C THR A 36 17.634 1.834 1.186 1.00 0.46 C ATOM 226 O THR A 36 16.659 1.880 1.947 1.00 0.46 O ATOM 227 CB THR A 36 17.985 0.258 -0.732 1.00 0.56 C ATOM 228 OG1 THR A 36 16.704 0.772 -1.120 1.00 0.54 O ATOM 229 CG2 THR A 36 18.064 -1.223 -1.075 1.00 0.68 C ATOM 0 H THR A 36 16.852 -1.031 1.173 1.00 0.59 H new ATOM 0 HA THR A 36 19.301 0.507 0.943 1.00 0.54 H new ATOM 0 HB THR A 36 18.767 0.784 -1.279 1.00 0.56 H new ATOM 0 HG1 THR A 36 16.800 1.702 -1.414 1.00 0.54 H new ATOM 0 HG21 THR A 36 17.891 -1.359 -2.142 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.052 -1.604 -0.816 1.00 0.68 H new ATOM 0 HG23 THR A 36 17.306 -1.768 -0.512 1.00 0.68 H new ATOM 237 N ASN A 37 18.224 2.921 0.694 1.00 0.42 N ATOM 238 CA ASN A 37 17.771 4.260 1.045 1.00 0.40 C ATOM 239 C ASN A 37 16.319 4.456 0.653 1.00 0.33 C ATOM 240 O ASN A 37 15.513 4.858 1.477 1.00 0.33 O ATOM 241 CB ASN A 37 18.637 5.336 0.383 1.00 0.48 C ATOM 242 CG ASN A 37 18.556 6.672 1.106 1.00 0.72 C ATOM 243 OD1 ASN A 37 18.030 6.762 2.215 1.00 1.47 O ATOM 244 ND2 ASN A 37 19.080 7.719 0.485 1.00 0.78 N ATOM 0 H ASN A 37 19.016 2.898 0.052 1.00 0.42 H new ATOM 0 HA ASN A 37 17.865 4.362 2.126 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.674 5.001 0.360 1.00 0.48 H new ATOM 0 HB3 ASN A 37 18.321 5.466 -0.652 1.00 0.48 H new ATOM 0 HD21 ASN A 37 19.056 8.638 0.926 1.00 0.78 H new ATOM 0 HD22 ASN A 37 19.508 7.605 -0.434 1.00 0.78 H new ATOM 251 N GLN A 38 15.984 4.143 -0.596 1.00 0.33 N ATOM 252 CA GLN A 38 14.621 4.312 -1.087 1.00 0.31 C ATOM 253 C GLN A 38 13.633 3.493 -0.265 1.00 0.26 C ATOM 254 O GLN A 38 12.531 3.955 0.038 1.00 0.25 O ATOM 255 CB GLN A 38 14.525 3.907 -2.555 1.00 0.36 C ATOM 256 CG GLN A 38 14.278 5.073 -3.496 1.00 0.46 C ATOM 257 CD GLN A 38 14.195 4.641 -4.945 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.583 3.625 -5.270 1.00 1.04 O ATOM 259 NE2 GLN A 38 14.809 5.412 -5.826 1.00 0.55 N ATOM 0 H GLN A 38 16.638 3.771 -1.285 1.00 0.33 H new ATOM 0 HA GLN A 38 14.365 5.367 -0.988 1.00 0.31 H new ATOM 0 HB2 GLN A 38 15.449 3.407 -2.846 1.00 0.36 H new ATOM 0 HB3 GLN A 38 13.720 3.182 -2.671 1.00 0.36 H new ATOM 0 HG2 GLN A 38 13.351 5.572 -3.215 1.00 0.46 H new ATOM 0 HG3 GLN A 38 15.080 5.803 -3.383 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.306 6.247 -5.515 1.00 0.55 H new ATOM 0 HE22 GLN A 38 14.786 5.172 -6.817 1.00 0.55 H new ATOM 268 N LEU A 39 14.039 2.281 0.100 1.00 0.28 N ATOM 269 CA LEU A 39 13.187 1.393 0.882 1.00 0.31 C ATOM 270 C LEU A 39 12.860 2.013 2.235 1.00 0.29 C ATOM 271 O LEU A 39 11.692 2.171 2.594 1.00 0.30 O ATOM 272 CB LEU A 39 13.869 0.039 1.087 1.00 0.38 C ATOM 273 CG LEU A 39 13.077 -0.958 1.936 1.00 0.45 C ATOM 274 CD1 LEU A 39 12.523 -2.072 1.066 1.00 0.63 C ATOM 275 CD2 LEU A 39 13.942 -1.530 3.048 1.00 0.80 C ATOM 0 H LEU A 39 14.952 1.892 -0.133 1.00 0.28 H new ATOM 0 HA LEU A 39 12.259 1.244 0.330 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.059 -0.407 0.111 1.00 0.38 H new ATOM 0 HB3 LEU A 39 14.839 0.204 1.556 1.00 0.38 H new ATOM 0 HG LEU A 39 12.242 -0.428 2.395 1.00 0.45 H new ATOM 0 HD11 LEU A 39 11.962 -2.773 1.685 1.00 0.63 H new ATOM 0 HD12 LEU A 39 11.863 -1.648 0.309 1.00 0.63 H new ATOM 0 HD13 LEU A 39 13.345 -2.596 0.579 1.00 0.63 H new ATOM 0 HD21 LEU A 39 13.357 -2.236 3.638 1.00 0.80 H new ATOM 0 HD22 LEU A 39 14.800 -2.043 2.614 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.290 -0.721 3.691 1.00 0.80 H new ATOM 287 N GLN A 40 13.900 2.374 2.972 1.00 0.29 N ATOM 288 CA GLN A 40 13.733 2.966 4.292 1.00 0.30 C ATOM 289 C GLN A 40 13.120 4.359 4.189 1.00 0.26 C ATOM 290 O GLN A 40 12.400 4.802 5.090 1.00 0.28 O ATOM 291 CB GLN A 40 15.077 3.026 5.016 1.00 0.36 C ATOM 292 CG GLN A 40 15.475 1.700 5.648 1.00 0.42 C ATOM 293 CD GLN A 40 14.508 1.250 6.726 1.00 0.72 C ATOM 294 OE1 GLN A 40 14.138 0.075 6.795 1.00 1.75 O ATOM 295 NE2 GLN A 40 14.101 2.170 7.584 1.00 0.83 N ATOM 0 H GLN A 40 14.871 2.267 2.678 1.00 0.29 H new ATOM 0 HA GLN A 40 13.052 2.338 4.867 1.00 0.30 H new ATOM 0 HB2 GLN A 40 15.850 3.332 4.310 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.032 3.792 5.791 1.00 0.36 H new ATOM 0 HG2 GLN A 40 15.530 0.935 4.873 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.473 1.792 6.077 1.00 0.42 H new ATOM 0 HE21 GLN A 40 14.429 3.132 7.494 1.00 0.83 H new ATOM 0 HE22 GLN A 40 13.459 1.918 8.335 1.00 0.83 H new ATOM 304 N TYR A 41 13.411 5.039 3.086 1.00 0.25 N ATOM 305 CA TYR A 41 12.847 6.342 2.810 1.00 0.24 C ATOM 306 C TYR A 41 11.336 6.255 2.704 1.00 0.22 C ATOM 307 O TYR A 41 10.629 6.817 3.525 1.00 0.23 O ATOM 308 CB TYR A 41 13.431 6.905 1.514 1.00 0.24 C ATOM 309 CG TYR A 41 12.980 8.305 1.195 1.00 0.31 C ATOM 310 CD1 TYR A 41 11.804 8.526 0.497 1.00 0.32 C ATOM 311 CD2 TYR A 41 13.729 9.401 1.591 1.00 0.42 C ATOM 312 CE1 TYR A 41 11.383 9.802 0.199 1.00 0.44 C ATOM 313 CE2 TYR A 41 13.317 10.684 1.298 1.00 0.52 C ATOM 314 CZ TYR A 41 12.142 10.879 0.602 1.00 0.53 C ATOM 315 OH TYR A 41 11.725 12.155 0.306 1.00 0.64 O ATOM 0 H TYR A 41 14.044 4.698 2.363 1.00 0.25 H new ATOM 0 HA TYR A 41 13.101 7.010 3.633 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.519 6.892 1.582 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.155 6.249 0.688 1.00 0.24 H new ATOM 0 HD1 TYR A 41 11.207 7.683 0.181 1.00 0.32 H new ATOM 0 HD2 TYR A 41 14.648 9.249 2.137 1.00 0.42 H new ATOM 0 HE1 TYR A 41 10.464 9.958 -0.347 1.00 0.44 H new ATOM 0 HE2 TYR A 41 13.910 11.530 1.611 1.00 0.52 H new ATOM 0 HH TYR A 41 12.161 12.459 -0.517 1.00 0.64 H new ATOM 325 N MET A 42 10.840 5.515 1.718 1.00 0.20 N ATOM 326 CA MET A 42 9.412 5.445 1.469 1.00 0.20 C ATOM 327 C MET A 42 8.687 4.935 2.708 1.00 0.21 C ATOM 328 O MET A 42 7.575 5.363 3.005 1.00 0.22 O ATOM 329 CB MET A 42 9.132 4.543 0.254 1.00 0.23 C ATOM 330 CG MET A 42 8.074 3.471 0.490 1.00 0.80 C ATOM 331 SD MET A 42 7.342 2.864 -1.042 1.00 1.07 S ATOM 332 CE MET A 42 6.713 4.386 -1.737 1.00 1.13 C ATOM 0 H MET A 42 11.409 4.957 1.081 1.00 0.20 H new ATOM 0 HA MET A 42 9.039 6.444 1.245 1.00 0.20 H new ATOM 0 HB2 MET A 42 8.817 5.168 -0.581 1.00 0.23 H new ATOM 0 HB3 MET A 42 10.062 4.058 -0.044 1.00 0.23 H new ATOM 0 HG2 MET A 42 8.523 2.636 1.029 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.288 3.876 1.127 1.00 0.80 H new ATOM 0 HE1 MET A 42 5.790 4.184 -2.281 1.00 1.13 H new ATOM 0 HE2 MET A 42 6.513 5.097 -0.935 1.00 1.13 H new ATOM 0 HE3 MET A 42 7.451 4.807 -2.419 1.00 1.13 H new ATOM 342 N GLN A 43 9.352 4.051 3.436 1.00 0.24 N ATOM 343 CA GLN A 43 8.812 3.482 4.662 1.00 0.30 C ATOM 344 C GLN A 43 8.453 4.579 5.668 1.00 0.30 C ATOM 345 O GLN A 43 7.310 4.681 6.111 1.00 0.33 O ATOM 346 CB GLN A 43 9.844 2.520 5.255 1.00 0.42 C ATOM 347 CG GLN A 43 9.497 1.969 6.628 1.00 0.84 C ATOM 348 CD GLN A 43 10.684 1.274 7.272 1.00 0.76 C ATOM 349 OE1 GLN A 43 11.071 1.584 8.401 1.00 1.30 O ATOM 350 NE2 GLN A 43 11.276 0.332 6.553 1.00 0.54 N ATOM 0 H GLN A 43 10.281 3.708 3.194 1.00 0.24 H new ATOM 0 HA GLN A 43 7.894 2.940 4.433 1.00 0.30 H new ATOM 0 HB2 GLN A 43 9.976 1.684 4.568 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.803 3.034 5.319 1.00 0.42 H new ATOM 0 HG2 GLN A 43 9.158 2.781 7.271 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.668 1.266 6.539 1.00 0.84 H new ATOM 0 HE21 GLN A 43 10.925 0.105 5.623 1.00 0.54 H new ATOM 0 HE22 GLN A 43 12.082 -0.166 6.930 1.00 0.54 H new ATOM 359 N ASN A 44 9.430 5.404 6.009 1.00 0.30 N ATOM 360 CA ASN A 44 9.237 6.444 7.016 1.00 0.33 C ATOM 361 C ASN A 44 8.677 7.723 6.415 1.00 0.31 C ATOM 362 O ASN A 44 8.030 8.506 7.100 1.00 0.34 O ATOM 363 CB ASN A 44 10.557 6.754 7.718 1.00 0.37 C ATOM 364 CG ASN A 44 11.040 5.605 8.575 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.625 5.453 9.724 1.00 0.50 O ATOM 366 ND2 ASN A 44 11.933 4.791 8.032 1.00 0.47 N ATOM 0 H ASN A 44 10.366 5.376 5.605 1.00 0.30 H new ATOM 0 HA ASN A 44 8.514 6.061 7.736 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.315 6.990 6.971 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.435 7.641 8.340 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.301 4.006 8.569 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.253 4.949 7.077 1.00 0.47 H new ATOM 373 N VAL A 45 8.971 7.955 5.155 1.00 0.27 N ATOM 374 CA VAL A 45 8.567 9.180 4.496 1.00 0.27 C ATOM 375 C VAL A 45 7.193 9.060 3.847 1.00 0.24 C ATOM 376 O VAL A 45 6.286 9.822 4.157 1.00 0.28 O ATOM 377 CB VAL A 45 9.602 9.595 3.437 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.146 10.832 2.692 1.00 0.29 C ATOM 379 CG2 VAL A 45 10.958 9.821 4.085 1.00 0.30 C ATOM 0 H VAL A 45 9.491 7.308 4.562 1.00 0.27 H new ATOM 0 HA VAL A 45 8.508 9.947 5.268 1.00 0.27 H new ATOM 0 HB VAL A 45 9.697 8.786 2.713 1.00 0.26 H new ATOM 0 HG11 VAL A 45 9.895 11.106 1.949 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.198 10.628 2.194 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.017 11.654 3.396 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.681 10.114 3.324 1.00 0.30 H new ATOM 0 HG22 VAL A 45 10.877 10.611 4.832 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.290 8.900 4.565 1.00 0.30 H new ATOM 389 N VAL A 46 7.033 8.093 2.960 1.00 0.19 N ATOM 390 CA VAL A 46 5.817 7.998 2.165 1.00 0.19 C ATOM 391 C VAL A 46 4.676 7.369 2.960 1.00 0.19 C ATOM 392 O VAL A 46 3.686 8.037 3.266 1.00 0.19 O ATOM 393 CB VAL A 46 6.043 7.199 0.862 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.767 7.151 0.032 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.178 7.809 0.054 1.00 0.22 C ATOM 0 H VAL A 46 7.724 7.366 2.772 1.00 0.19 H new ATOM 0 HA VAL A 46 5.541 9.019 1.901 1.00 0.19 H new ATOM 0 HB VAL A 46 6.317 6.179 1.130 1.00 0.20 H new ATOM 0 HG11 VAL A 46 4.948 6.584 -0.881 1.00 0.26 H new ATOM 0 HG12 VAL A 46 3.976 6.670 0.608 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.462 8.165 -0.225 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.324 7.234 -0.860 1.00 0.22 H new ATOM 0 HG22 VAL A 46 6.930 8.839 -0.201 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.095 7.791 0.644 1.00 0.22 H new ATOM 405 N VAL A 47 4.826 6.095 3.312 1.00 0.20 N ATOM 406 CA VAL A 47 3.755 5.358 3.976 1.00 0.23 C ATOM 407 C VAL A 47 3.421 5.954 5.346 1.00 0.23 C ATOM 408 O VAL A 47 2.265 5.953 5.755 1.00 0.25 O ATOM 409 CB VAL A 47 4.071 3.834 4.098 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.326 3.469 3.330 1.00 0.70 C ATOM 411 CG2 VAL A 47 4.195 3.379 5.549 1.00 0.83 C ATOM 0 H VAL A 47 5.675 5.553 3.149 1.00 0.20 H new ATOM 0 HA VAL A 47 2.875 5.459 3.341 1.00 0.23 H new ATOM 0 HB VAL A 47 3.223 3.309 3.658 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.519 2.401 3.435 1.00 0.70 H new ATOM 0 HG12 VAL A 47 5.191 3.712 2.276 1.00 0.70 H new ATOM 0 HG13 VAL A 47 6.172 4.031 3.726 1.00 0.70 H new ATOM 0 HG21 VAL A 47 4.415 2.312 5.578 1.00 0.83 H new ATOM 0 HG22 VAL A 47 5.001 3.929 6.035 1.00 0.83 H new ATOM 0 HG23 VAL A 47 3.258 3.571 6.072 1.00 0.83 H new ATOM 421 N LYS A 48 4.423 6.488 6.041 1.00 0.26 N ATOM 422 CA LYS A 48 4.202 7.057 7.365 1.00 0.30 C ATOM 423 C LYS A 48 3.334 8.312 7.298 1.00 0.28 C ATOM 424 O LYS A 48 2.473 8.522 8.152 1.00 0.33 O ATOM 425 CB LYS A 48 5.530 7.381 8.038 1.00 0.36 C ATOM 426 CG LYS A 48 5.502 7.233 9.550 1.00 0.53 C ATOM 427 CD LYS A 48 5.837 8.547 10.242 1.00 1.25 C ATOM 428 CE LYS A 48 7.336 8.791 10.273 1.00 1.79 C ATOM 429 NZ LYS A 48 7.676 10.205 9.966 1.00 2.40 N ATOM 0 H LYS A 48 5.387 6.538 5.712 1.00 0.26 H new ATOM 0 HA LYS A 48 3.674 6.310 7.957 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.302 6.727 7.632 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.814 8.403 7.787 1.00 0.36 H new ATOM 0 HG2 LYS A 48 4.515 6.895 9.866 1.00 0.53 H new ATOM 0 HG3 LYS A 48 6.215 6.467 9.856 1.00 0.53 H new ATOM 0 HD2 LYS A 48 5.344 9.369 9.723 1.00 1.25 H new ATOM 0 HD3 LYS A 48 5.448 8.533 11.260 1.00 1.25 H new ATOM 0 HE2 LYS A 48 7.726 8.530 11.257 1.00 1.79 H new ATOM 0 HE3 LYS A 48 7.825 8.136 9.552 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 8.708 10.329 9.998 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 7.327 10.448 9.017 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 7.231 10.829 10.669 1.00 2.40 H new ATOM 443 N THR A 49 3.554 9.140 6.282 1.00 0.23 N ATOM 444 CA THR A 49 2.768 10.358 6.122 1.00 0.24 C ATOM 445 C THR A 49 1.370 10.032 5.603 1.00 0.22 C ATOM 446 O THR A 49 0.396 10.695 5.960 1.00 0.24 O ATOM 447 CB THR A 49 3.465 11.368 5.186 1.00 0.28 C ATOM 448 OG1 THR A 49 4.857 11.443 5.510 1.00 0.55 O ATOM 449 CG2 THR A 49 2.845 12.750 5.320 1.00 0.52 C ATOM 0 H THR A 49 4.263 8.992 5.564 1.00 0.23 H new ATOM 0 HA THR A 49 2.680 10.821 7.105 1.00 0.24 H new ATOM 0 HB THR A 49 3.339 11.026 4.159 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.355 10.800 4.963 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.354 13.443 4.650 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.788 12.702 5.058 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.948 13.097 6.348 1.00 0.52 H new ATOM 457 N LEU A 50 1.276 8.994 4.777 1.00 0.20 N ATOM 458 CA LEU A 50 -0.018 8.505 4.314 1.00 0.21 C ATOM 459 C LEU A 50 -0.792 7.911 5.490 1.00 0.20 C ATOM 460 O LEU A 50 -1.994 8.121 5.635 1.00 0.21 O ATOM 461 CB LEU A 50 0.167 7.445 3.213 1.00 0.24 C ATOM 462 CG LEU A 50 -0.725 7.594 1.969 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.209 6.233 1.497 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.910 8.508 2.248 1.00 0.29 C ATOM 0 H LEU A 50 2.078 8.477 4.416 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.581 9.339 3.896 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.208 7.463 2.892 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -0.015 6.463 3.649 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.126 8.048 1.180 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.839 6.356 0.616 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.351 5.609 1.245 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.784 5.756 2.291 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.522 8.594 1.350 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.509 8.090 3.057 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.548 9.495 2.536 1.00 0.29 H new ATOM 476 N TRP A 51 -0.077 7.180 6.337 1.00 0.22 N ATOM 477 CA TRP A 51 -0.663 6.558 7.517 1.00 0.24 C ATOM 478 C TRP A 51 -1.200 7.606 8.485 1.00 0.26 C ATOM 479 O TRP A 51 -2.229 7.406 9.124 1.00 0.29 O ATOM 480 CB TRP A 51 0.382 5.688 8.222 1.00 0.27 C ATOM 481 CG TRP A 51 -0.215 4.617 9.081 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.771 4.775 10.316 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.311 3.222 8.770 1.00 0.29 C ATOM 484 NE1 TRP A 51 -1.213 3.566 10.790 1.00 0.32 N ATOM 485 CE2 TRP A 51 -0.943 2.596 9.861 1.00 0.31 C ATOM 486 CE3 TRP A 51 0.073 2.442 7.674 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.200 1.228 9.888 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.180 1.084 7.702 1.00 0.37 C ATOM 489 CH2 TRP A 51 -0.813 0.489 8.802 1.00 0.39 C ATOM 0 H TRP A 51 0.921 7.003 6.226 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.497 5.936 7.192 1.00 0.24 H new ATOM 0 HB2 TRP A 51 1.024 5.226 7.472 1.00 0.27 H new ATOM 0 HB3 TRP A 51 1.018 6.324 8.838 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.852 5.714 10.843 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.669 3.414 11.689 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.558 2.893 6.821 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.687 0.766 10.734 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 0.115 0.471 6.863 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -0.999 -0.575 8.793 1.00 0.39 H new ATOM 500 N LYS A 52 -0.513 8.731 8.582 1.00 0.27 N ATOM 501 CA LYS A 52 -0.884 9.761 9.541 1.00 0.29 C ATOM 502 C LYS A 52 -1.916 10.733 8.975 1.00 0.30 C ATOM 503 O LYS A 52 -2.042 11.866 9.445 1.00 0.45 O ATOM 504 CB LYS A 52 0.346 10.502 10.022 1.00 0.33 C ATOM 505 CG LYS A 52 0.987 9.827 11.222 1.00 0.48 C ATOM 506 CD LYS A 52 0.166 10.031 12.487 1.00 1.13 C ATOM 507 CE LYS A 52 -0.504 8.739 12.935 1.00 1.74 C ATOM 508 NZ LYS A 52 -0.996 8.822 14.337 1.00 2.24 N ATOM 0 H LYS A 52 0.302 8.956 8.011 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.350 9.262 10.390 1.00 0.29 H new ATOM 0 HB2 LYS A 52 1.072 10.564 9.211 1.00 0.33 H new ATOM 0 HB3 LYS A 52 0.073 11.524 10.284 1.00 0.33 H new ATOM 0 HG2 LYS A 52 1.094 8.760 11.026 1.00 0.48 H new ATOM 0 HG3 LYS A 52 1.990 10.226 11.371 1.00 0.48 H new ATOM 0 HD2 LYS A 52 0.810 10.403 13.284 1.00 1.13 H new ATOM 0 HD3 LYS A 52 -0.593 10.793 12.310 1.00 1.13 H new ATOM 0 HE2 LYS A 52 -1.339 8.514 12.271 1.00 1.74 H new ATOM 0 HE3 LYS A 52 0.204 7.915 12.848 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 -1.445 7.922 14.601 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 -0.197 9.011 14.975 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 -1.691 9.592 14.416 1.00 2.24 H new ATOM 522 N HIS A 53 -2.654 10.289 7.968 1.00 0.25 N ATOM 523 CA HIS A 53 -3.739 11.081 7.410 1.00 0.26 C ATOM 524 C HIS A 53 -5.066 10.662 8.032 1.00 0.31 C ATOM 525 O HIS A 53 -5.317 9.474 8.235 1.00 0.35 O ATOM 526 CB HIS A 53 -3.796 10.911 5.895 1.00 0.24 C ATOM 527 CG HIS A 53 -4.539 12.004 5.195 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.729 11.765 4.563 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.204 13.305 5.029 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.090 12.915 4.022 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.198 13.877 4.282 1.00 0.39 N ATOM 0 H HIS A 53 -2.520 9.382 7.520 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.556 12.131 7.637 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.779 10.867 5.505 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.268 9.956 5.663 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.322 13.797 5.412 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -6.991 13.060 3.444 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.249 14.850 3.981 1.00 0.39 H new ATOM 539 N GLN A 54 -5.922 11.633 8.320 1.00 0.42 N ATOM 540 CA GLN A 54 -7.188 11.360 8.994 1.00 0.54 C ATOM 541 C GLN A 54 -8.258 10.867 8.018 1.00 0.42 C ATOM 542 O GLN A 54 -9.425 10.719 8.384 1.00 0.47 O ATOM 543 CB GLN A 54 -7.678 12.610 9.727 1.00 0.79 C ATOM 544 CG GLN A 54 -6.890 12.911 10.991 1.00 1.09 C ATOM 545 CD GLN A 54 -7.362 12.092 12.177 1.00 1.24 C ATOM 546 OE1 GLN A 54 -8.467 12.292 12.680 1.00 1.91 O ATOM 547 NE2 GLN A 54 -6.534 11.167 12.629 1.00 1.21 N ATOM 0 H GLN A 54 -5.765 12.616 8.099 1.00 0.42 H new ATOM 0 HA GLN A 54 -7.010 10.565 9.718 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.615 13.466 9.055 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -8.730 12.484 9.984 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -5.833 12.711 10.813 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -6.979 13.971 11.227 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -5.626 11.033 12.183 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -6.802 10.587 13.424 1.00 1.21 H new ATOM 556 N PHE A 55 -7.862 10.624 6.777 1.00 0.36 N ATOM 557 CA PHE A 55 -8.768 10.063 5.783 1.00 0.31 C ATOM 558 C PHE A 55 -8.290 8.678 5.358 1.00 0.27 C ATOM 559 O PHE A 55 -8.983 7.962 4.642 1.00 0.29 O ATOM 560 CB PHE A 55 -8.865 10.985 4.564 1.00 0.36 C ATOM 561 CG PHE A 55 -10.145 11.768 4.481 1.00 0.45 C ATOM 562 CD1 PHE A 55 -10.779 12.218 5.626 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.712 12.057 3.251 1.00 0.73 C ATOM 564 CE1 PHE A 55 -11.954 12.940 5.546 1.00 0.76 C ATOM 565 CE2 PHE A 55 -11.888 12.777 3.164 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.510 13.219 4.313 1.00 0.86 C ATOM 0 H PHE A 55 -6.919 10.806 6.433 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.759 9.973 6.229 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.027 11.682 4.583 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -8.761 10.385 3.660 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.350 12.002 6.593 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.229 11.715 2.348 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -12.438 13.286 6.447 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -12.320 12.993 2.198 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.429 13.782 4.249 1.00 0.86 H new ATOM 576 N ALA A 56 -7.103 8.298 5.823 1.00 0.25 N ATOM 577 CA ALA A 56 -6.510 7.016 5.455 1.00 0.25 C ATOM 578 C ALA A 56 -6.737 5.979 6.545 1.00 0.26 C ATOM 579 O ALA A 56 -6.168 4.888 6.512 1.00 0.28 O ATOM 580 CB ALA A 56 -5.022 7.182 5.189 1.00 0.28 C ATOM 0 H ALA A 56 -6.533 8.860 6.455 1.00 0.25 H new ATOM 0 HA ALA A 56 -6.995 6.665 4.544 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.592 6.219 4.916 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.875 7.890 4.373 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.531 7.557 6.087 1.00 0.28 H new ATOM 586 N TRP A 57 -7.595 6.321 7.494 1.00 0.30 N ATOM 587 CA TRP A 57 -7.835 5.474 8.659 1.00 0.34 C ATOM 588 C TRP A 57 -8.442 4.093 8.315 1.00 0.35 C ATOM 589 O TRP A 57 -8.126 3.117 8.996 1.00 0.40 O ATOM 590 CB TRP A 57 -8.674 6.207 9.720 1.00 0.37 C ATOM 591 CG TRP A 57 -10.052 6.601 9.286 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.392 7.641 8.472 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.280 5.973 9.671 1.00 0.42 C ATOM 594 NE1 TRP A 57 -11.754 7.694 8.318 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.323 6.679 9.044 1.00 0.46 C ATOM 596 CE3 TRP A 57 -11.598 4.878 10.479 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -13.660 6.327 9.201 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -12.925 4.530 10.636 1.00 0.54 C ATOM 599 CH2 TRP A 57 -13.942 5.252 9.999 1.00 0.58 C ATOM 0 H TRP A 57 -8.140 7.183 7.482 1.00 0.30 H new ATOM 0 HA TRP A 57 -6.851 5.265 9.079 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -8.757 5.568 10.599 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.137 7.104 10.028 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -9.691 8.324 8.015 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.261 8.377 7.755 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -10.820 4.314 10.972 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.446 6.882 8.711 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.183 3.687 11.260 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -14.970 4.954 10.141 1.00 0.58 H new ATOM 610 N PRO A 58 -9.308 3.943 7.278 1.00 0.34 N ATOM 611 CA PRO A 58 -9.831 2.627 6.906 1.00 0.40 C ATOM 612 C PRO A 58 -8.825 1.812 6.091 1.00 0.36 C ATOM 613 O PRO A 58 -9.086 0.666 5.726 1.00 0.45 O ATOM 614 CB PRO A 58 -11.072 2.944 6.055 1.00 0.47 C ATOM 615 CG PRO A 58 -11.222 4.430 6.062 1.00 0.40 C ATOM 616 CD PRO A 58 -9.875 4.989 6.412 1.00 0.32 C ATOM 0 HA PRO A 58 -10.051 2.022 7.786 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -10.951 2.571 5.038 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -11.959 2.463 6.467 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.552 4.792 5.088 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -11.973 4.741 6.788 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.263 5.157 5.526 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -9.955 5.945 6.930 1.00 0.32 H new ATOM 624 N PHE A 59 -7.664 2.403 5.836 1.00 0.31 N ATOM 625 CA PHE A 59 -6.653 1.781 4.992 1.00 0.31 C ATOM 626 C PHE A 59 -5.599 1.089 5.841 1.00 0.31 C ATOM 627 O PHE A 59 -4.678 0.466 5.320 1.00 0.52 O ATOM 628 CB PHE A 59 -5.995 2.833 4.096 1.00 0.36 C ATOM 629 CG PHE A 59 -6.360 2.705 2.645 1.00 0.47 C ATOM 630 CD1 PHE A 59 -5.856 1.667 1.881 1.00 0.92 C ATOM 631 CD2 PHE A 59 -7.205 3.626 2.045 1.00 0.68 C ATOM 632 CE1 PHE A 59 -6.186 1.548 0.545 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.537 3.511 0.709 1.00 0.87 C ATOM 634 CZ PHE A 59 -7.027 2.471 -0.042 1.00 0.95 C ATOM 0 H PHE A 59 -7.399 3.317 6.204 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.140 1.034 4.365 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.279 3.825 4.447 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -4.912 2.757 4.197 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -5.197 0.942 2.335 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -7.608 4.441 2.628 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -5.786 0.733 -0.040 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -8.196 4.235 0.252 1.00 0.87 H new ATOM 0 HZ PHE A 59 -7.286 2.380 -1.087 1.00 0.95 H new ATOM 644 N TYR A 60 -5.746 1.199 7.156 1.00 0.35 N ATOM 645 CA TYR A 60 -4.814 0.569 8.086 1.00 0.39 C ATOM 646 C TYR A 60 -5.048 -0.934 8.143 1.00 0.45 C ATOM 647 O TYR A 60 -4.246 -1.679 8.705 1.00 0.63 O ATOM 648 CB TYR A 60 -4.985 1.128 9.501 1.00 0.46 C ATOM 649 CG TYR A 60 -4.863 2.630 9.634 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.196 3.400 8.688 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.424 3.277 10.728 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.093 4.770 8.835 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.324 4.643 10.878 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.662 5.383 9.932 1.00 0.45 C ATOM 655 OH TYR A 60 -4.567 6.743 10.083 1.00 0.58 O ATOM 0 H TYR A 60 -6.501 1.718 7.603 1.00 0.35 H new ATOM 0 HA TYR A 60 -3.808 0.781 7.725 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -5.964 0.827 9.874 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -4.241 0.663 10.148 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -3.753 2.921 7.827 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -5.948 2.699 11.475 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.570 5.358 8.095 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -5.765 5.128 11.736 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.962 7.106 9.403 1.00 0.58 H new ATOM 665 N GLN A 61 -6.156 -1.368 7.568 1.00 0.46 N ATOM 666 CA GLN A 61 -6.603 -2.739 7.720 1.00 0.55 C ATOM 667 C GLN A 61 -6.392 -3.532 6.440 1.00 0.56 C ATOM 668 O GLN A 61 -6.937 -3.185 5.391 1.00 0.57 O ATOM 669 CB GLN A 61 -8.074 -2.755 8.135 1.00 0.65 C ATOM 670 CG GLN A 61 -8.408 -1.686 9.167 1.00 0.71 C ATOM 671 CD GLN A 61 -9.872 -1.300 9.181 1.00 1.09 C ATOM 672 OE1 GLN A 61 -10.501 -1.268 10.238 1.00 1.57 O ATOM 673 NE2 GLN A 61 -10.424 -0.993 8.017 1.00 1.63 N ATOM 0 H GLN A 61 -6.764 -0.787 6.990 1.00 0.46 H new ATOM 0 HA GLN A 61 -6.008 -3.216 8.499 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -8.697 -2.609 7.253 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -8.321 -3.736 8.541 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -8.125 -2.046 10.156 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.808 -0.798 8.967 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -9.868 -1.032 7.163 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -11.405 -0.718 7.975 1.00 1.63 H new ATOM 682 N PRO A 62 -5.586 -4.603 6.520 1.00 0.63 N ATOM 683 CA PRO A 62 -5.265 -5.445 5.367 1.00 0.68 C ATOM 684 C PRO A 62 -6.483 -6.153 4.786 1.00 0.69 C ATOM 685 O PRO A 62 -7.395 -6.568 5.511 1.00 0.77 O ATOM 686 CB PRO A 62 -4.279 -6.480 5.920 1.00 0.78 C ATOM 687 CG PRO A 62 -3.809 -5.938 7.224 1.00 0.87 C ATOM 688 CD PRO A 62 -4.915 -5.069 7.744 1.00 0.73 C ATOM 0 HA PRO A 62 -4.865 -4.844 4.550 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -4.762 -7.449 6.051 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -3.444 -6.629 5.235 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -3.588 -6.745 7.923 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -2.891 -5.364 7.098 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -5.595 -5.627 8.388 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -4.529 -4.237 8.333 1.00 0.73 H new ATOM 696 N VAL A 63 -6.473 -6.311 3.473 1.00 0.66 N ATOM 697 CA VAL A 63 -7.535 -7.011 2.778 1.00 0.69 C ATOM 698 C VAL A 63 -7.168 -8.482 2.675 1.00 0.77 C ATOM 699 O VAL A 63 -6.491 -8.925 1.745 1.00 0.88 O ATOM 700 CB VAL A 63 -7.820 -6.406 1.379 1.00 0.73 C ATOM 701 CG1 VAL A 63 -8.618 -7.370 0.511 1.00 0.82 C ATOM 702 CG2 VAL A 63 -8.572 -5.093 1.521 1.00 0.75 C ATOM 0 H VAL A 63 -5.734 -5.960 2.865 1.00 0.66 H new ATOM 0 HA VAL A 63 -8.456 -6.900 3.350 1.00 0.69 H new ATOM 0 HB VAL A 63 -6.863 -6.224 0.891 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -8.801 -6.916 -0.463 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -8.054 -8.294 0.381 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -9.570 -7.591 0.993 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -8.767 -4.677 0.533 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -9.518 -5.269 2.034 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -7.971 -4.390 2.099 1.00 0.75 H new ATOM 712 N ASP A 64 -7.581 -9.225 3.679 1.00 0.79 N ATOM 713 CA ASP A 64 -7.258 -10.631 3.772 1.00 0.93 C ATOM 714 C ASP A 64 -8.491 -11.486 3.499 1.00 1.00 C ATOM 715 O ASP A 64 -8.454 -12.707 3.635 1.00 1.51 O ATOM 716 CB ASP A 64 -6.669 -10.915 5.155 1.00 1.02 C ATOM 717 CG ASP A 64 -7.717 -11.261 6.190 1.00 1.29 C ATOM 718 OD1 ASP A 64 -8.806 -10.660 6.152 1.00 1.85 O ATOM 719 OD2 ASP A 64 -7.436 -12.097 7.071 1.00 1.42 O ATOM 0 H ASP A 64 -8.148 -8.873 4.450 1.00 0.79 H new ATOM 0 HA ASP A 64 -6.517 -10.890 3.015 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -5.958 -11.738 5.078 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -6.110 -10.042 5.491 1.00 1.02 H new ATOM 724 N ALA A 65 -9.580 -10.805 3.128 1.00 0.94 N ATOM 725 CA ALA A 65 -10.857 -11.433 2.764 1.00 0.94 C ATOM 726 C ALA A 65 -11.673 -11.855 3.986 1.00 1.03 C ATOM 727 O ALA A 65 -12.902 -11.851 3.940 1.00 1.29 O ATOM 728 CB ALA A 65 -10.656 -12.616 1.823 1.00 0.96 C ATOM 0 H ALA A 65 -9.601 -9.787 3.071 1.00 0.94 H new ATOM 0 HA ALA A 65 -11.429 -10.669 2.238 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -11.623 -13.054 1.577 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -10.169 -12.275 0.909 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -10.032 -13.366 2.309 1.00 0.96 H new ATOM 734 N ILE A 66 -11.005 -12.190 5.079 1.00 1.03 N ATOM 735 CA ILE A 66 -11.688 -12.720 6.254 1.00 1.14 C ATOM 736 C ILE A 66 -11.923 -11.644 7.309 1.00 1.13 C ATOM 737 O ILE A 66 -13.039 -11.472 7.797 1.00 1.19 O ATOM 738 CB ILE A 66 -10.894 -13.877 6.897 1.00 1.24 C ATOM 739 CG1 ILE A 66 -10.204 -14.721 5.821 1.00 1.35 C ATOM 740 CG2 ILE A 66 -11.816 -14.743 7.742 1.00 1.37 C ATOM 741 CD1 ILE A 66 -8.794 -15.129 6.186 1.00 1.89 C ATOM 0 H ILE A 66 -9.993 -12.105 5.179 1.00 1.03 H new ATOM 0 HA ILE A 66 -12.651 -13.091 5.902 1.00 1.14 H new ATOM 0 HB ILE A 66 -10.126 -13.452 7.543 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -10.797 -15.617 5.638 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -10.181 -14.158 4.888 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -11.243 -15.555 8.190 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -12.263 -14.137 8.530 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -12.603 -15.158 7.113 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -8.367 -15.724 5.379 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -8.186 -14.238 6.341 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -8.812 -15.720 7.102 1.00 1.89 H new ATOM 753 N LYS A 67 -10.872 -10.906 7.634 1.00 1.10 N ATOM 754 CA LYS A 67 -10.907 -9.944 8.725 1.00 1.15 C ATOM 755 C LYS A 67 -11.621 -8.657 8.318 1.00 1.13 C ATOM 756 O LYS A 67 -12.102 -7.909 9.167 1.00 1.27 O ATOM 757 CB LYS A 67 -9.484 -9.657 9.214 1.00 1.21 C ATOM 758 CG LYS A 67 -8.842 -8.397 8.648 1.00 1.50 C ATOM 759 CD LYS A 67 -7.427 -8.216 9.179 1.00 1.90 C ATOM 760 CE LYS A 67 -6.431 -9.101 8.443 1.00 2.46 C ATOM 761 NZ LYS A 67 -6.381 -10.480 9.007 1.00 2.99 N ATOM 0 H LYS A 67 -9.975 -10.957 7.151 1.00 1.10 H new ATOM 0 HA LYS A 67 -11.478 -10.378 9.545 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -9.500 -9.580 10.301 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -8.853 -10.510 8.964 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -8.821 -8.454 7.560 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -9.446 -7.528 8.910 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -7.131 -7.172 9.077 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -7.405 -8.451 10.243 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -6.702 -9.151 7.388 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -5.439 -8.652 8.497 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -5.408 -10.843 8.951 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -6.687 -10.460 10.001 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -7.014 -11.101 8.463 1.00 2.99 H new ATOM 775 N LEU A 68 -11.681 -8.394 7.020 1.00 1.02 N ATOM 776 CA LEU A 68 -12.390 -7.221 6.525 1.00 1.03 C ATOM 777 C LEU A 68 -13.624 -7.631 5.730 1.00 1.05 C ATOM 778 O LEU A 68 -14.334 -6.784 5.182 1.00 1.10 O ATOM 779 CB LEU A 68 -11.465 -6.356 5.664 1.00 1.02 C ATOM 780 CG LEU A 68 -11.642 -4.843 5.843 1.00 1.07 C ATOM 781 CD1 LEU A 68 -11.383 -4.443 7.288 1.00 1.61 C ATOM 782 CD2 LEU A 68 -10.722 -4.076 4.901 1.00 1.66 C ATOM 0 H LEU A 68 -11.252 -8.970 6.296 1.00 1.02 H new ATOM 0 HA LEU A 68 -12.714 -6.633 7.384 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -10.432 -6.616 5.894 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -11.631 -6.605 4.616 1.00 1.02 H new ATOM 0 HG LEU A 68 -12.672 -4.588 5.594 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -11.513 -3.366 7.396 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -12.086 -4.961 7.940 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -10.364 -4.715 7.564 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -10.864 -3.005 5.045 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -9.685 -4.336 5.114 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -10.958 -4.338 3.869 1.00 1.66 H new ATOM 794 N ASN A 69 -13.873 -8.940 5.693 1.00 1.06 N ATOM 795 CA ASN A 69 -14.995 -9.512 4.948 1.00 1.12 C ATOM 796 C ASN A 69 -14.973 -9.052 3.494 1.00 1.09 C ATOM 797 O ASN A 69 -15.818 -8.267 3.061 1.00 1.15 O ATOM 798 CB ASN A 69 -16.331 -9.145 5.604 1.00 1.24 C ATOM 799 CG ASN A 69 -17.499 -9.922 5.023 1.00 1.34 C ATOM 800 OD1 ASN A 69 -18.257 -9.412 4.200 1.00 1.74 O ATOM 801 ND2 ASN A 69 -17.651 -11.163 5.450 1.00 1.55 N ATOM 0 H ASN A 69 -13.303 -9.633 6.178 1.00 1.06 H new ATOM 0 HA ASN A 69 -14.890 -10.597 4.967 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -16.270 -9.335 6.676 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -16.512 -8.077 5.480 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -18.419 -11.734 5.096 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -17.001 -11.550 6.134 1.00 1.55 H new ATOM 808 N LEU A 70 -13.988 -9.539 2.755 1.00 1.04 N ATOM 809 CA LEU A 70 -13.848 -9.228 1.339 1.00 1.01 C ATOM 810 C LEU A 70 -13.579 -10.501 0.532 1.00 0.99 C ATOM 811 O LEU A 70 -12.514 -10.651 -0.062 1.00 0.95 O ATOM 812 CB LEU A 70 -12.701 -8.219 1.126 1.00 1.01 C ATOM 813 CG LEU A 70 -13.110 -6.752 0.920 1.00 1.13 C ATOM 814 CD1 LEU A 70 -14.613 -6.611 0.756 1.00 1.61 C ATOM 815 CD2 LEU A 70 -12.626 -5.906 2.084 1.00 1.54 C ATOM 0 H LEU A 70 -13.264 -10.160 3.118 1.00 1.04 H new ATOM 0 HA LEU A 70 -14.781 -8.785 0.991 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -12.036 -8.270 1.988 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -12.123 -8.537 0.259 1.00 1.01 H new ATOM 0 HG LEU A 70 -12.641 -6.399 0.002 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -14.866 -5.561 0.612 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -14.940 -7.185 -0.111 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -15.113 -6.986 1.649 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -12.921 -4.869 1.927 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -13.069 -6.274 3.010 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -11.540 -5.968 2.152 1.00 1.54 H new ATOM 827 N PRO A 71 -14.541 -11.439 0.503 1.00 1.06 N ATOM 828 CA PRO A 71 -14.383 -12.704 -0.219 1.00 1.11 C ATOM 829 C PRO A 71 -14.596 -12.550 -1.725 1.00 1.05 C ATOM 830 O PRO A 71 -13.883 -13.152 -2.531 1.00 1.09 O ATOM 831 CB PRO A 71 -15.469 -13.585 0.395 1.00 1.28 C ATOM 832 CG PRO A 71 -16.539 -12.640 0.821 1.00 1.30 C ATOM 833 CD PRO A 71 -15.855 -11.347 1.174 1.00 1.18 C ATOM 0 HA PRO A 71 -13.376 -13.111 -0.124 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -15.846 -14.308 -0.328 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -15.084 -14.153 1.242 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -17.264 -12.489 0.021 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -17.087 -13.035 1.677 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -16.423 -10.486 0.821 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -15.745 -11.236 2.253 1.00 1.18 H new ATOM 841 N ASP A 72 -15.568 -11.725 -2.100 1.00 1.04 N ATOM 842 CA ASP A 72 -15.900 -11.507 -3.503 1.00 1.07 C ATOM 843 C ASP A 72 -14.884 -10.562 -4.136 1.00 0.94 C ATOM 844 O ASP A 72 -14.769 -10.466 -5.356 1.00 0.95 O ATOM 845 CB ASP A 72 -17.316 -10.937 -3.615 1.00 1.24 C ATOM 846 CG ASP A 72 -17.741 -10.666 -5.044 1.00 1.49 C ATOM 847 OD1 ASP A 72 -17.935 -11.635 -5.807 1.00 1.93 O ATOM 848 OD2 ASP A 72 -17.900 -9.480 -5.401 1.00 1.97 O ATOM 0 H ASP A 72 -16.143 -11.193 -1.447 1.00 1.04 H new ATOM 0 HA ASP A 72 -15.865 -12.457 -4.037 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -18.019 -11.636 -3.160 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -17.374 -10.010 -3.044 1.00 1.24 H new ATOM 853 N TYR A 73 -14.142 -9.883 -3.273 1.00 0.87 N ATOM 854 CA TYR A 73 -13.074 -8.976 -3.681 1.00 0.79 C ATOM 855 C TYR A 73 -12.086 -9.677 -4.613 1.00 0.74 C ATOM 856 O TYR A 73 -11.668 -9.122 -5.632 1.00 0.73 O ATOM 857 CB TYR A 73 -12.350 -8.484 -2.426 1.00 0.78 C ATOM 858 CG TYR A 73 -11.615 -7.176 -2.578 1.00 0.73 C ATOM 859 CD1 TYR A 73 -12.275 -5.964 -2.429 1.00 0.88 C ATOM 860 CD2 TYR A 73 -10.255 -7.154 -2.841 1.00 0.80 C ATOM 861 CE1 TYR A 73 -11.600 -4.767 -2.546 1.00 0.97 C ATOM 862 CE2 TYR A 73 -9.571 -5.961 -2.952 1.00 0.90 C ATOM 863 CZ TYR A 73 -10.247 -4.772 -2.805 1.00 0.94 C ATOM 864 OH TYR A 73 -9.567 -3.585 -2.910 1.00 1.13 O ATOM 0 H TYR A 73 -14.264 -9.945 -2.262 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.504 -8.135 -4.224 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -13.079 -8.381 -1.623 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -11.638 -9.248 -2.114 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -13.334 -5.958 -2.218 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -9.722 -8.085 -2.961 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -12.129 -3.832 -2.435 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -8.510 -5.961 -3.153 1.00 0.90 H new ATOM 0 HH TYR A 73 -8.639 -3.762 -3.170 1.00 1.13 H new ATOM 874 N HIS A 74 -11.764 -10.917 -4.277 1.00 0.79 N ATOM 875 CA HIS A 74 -10.724 -11.669 -4.976 1.00 0.80 C ATOM 876 C HIS A 74 -11.240 -12.265 -6.285 1.00 0.85 C ATOM 877 O HIS A 74 -10.517 -12.986 -6.974 1.00 0.91 O ATOM 878 CB HIS A 74 -10.186 -12.790 -4.076 1.00 0.89 C ATOM 879 CG HIS A 74 -9.638 -12.321 -2.758 1.00 0.79 C ATOM 880 ND1 HIS A 74 -9.682 -10.998 -2.383 1.00 0.91 N ATOM 881 CD2 HIS A 74 -9.058 -13.038 -1.765 1.00 0.91 C ATOM 882 CE1 HIS A 74 -9.132 -10.940 -1.186 1.00 0.78 C ATOM 883 NE2 HIS A 74 -8.738 -12.150 -0.771 1.00 0.82 N ATOM 0 H HIS A 74 -12.211 -11.431 -3.518 1.00 0.79 H new ATOM 0 HA HIS A 74 -9.920 -10.972 -5.215 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -10.987 -13.505 -3.888 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -9.402 -13.324 -4.612 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -8.882 -14.104 -1.758 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -9.014 -10.032 -0.613 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -8.286 -12.370 0.116 1.00 0.82 H new ATOM 891 N LYS A 75 -12.486 -11.961 -6.631 1.00 0.89 N ATOM 892 CA LYS A 75 -13.068 -12.450 -7.872 1.00 0.97 C ATOM 893 C LYS A 75 -12.759 -11.479 -8.996 1.00 0.92 C ATOM 894 O LYS A 75 -12.777 -11.836 -10.177 1.00 1.11 O ATOM 895 CB LYS A 75 -14.579 -12.619 -7.731 1.00 1.09 C ATOM 896 CG LYS A 75 -14.971 -13.807 -6.878 1.00 1.20 C ATOM 897 CD LYS A 75 -16.390 -14.255 -7.167 1.00 1.68 C ATOM 898 CE LYS A 75 -16.954 -15.054 -6.008 1.00 2.05 C ATOM 899 NZ LYS A 75 -17.897 -14.251 -5.184 1.00 2.86 N ATOM 0 H LYS A 75 -13.110 -11.380 -6.071 1.00 0.89 H new ATOM 0 HA LYS A 75 -12.634 -13.423 -8.102 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -15.000 -11.713 -7.295 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -15.019 -12.731 -8.722 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -14.283 -14.632 -7.063 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -14.879 -13.546 -5.824 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -17.019 -13.385 -7.354 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -16.407 -14.861 -8.073 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -17.468 -15.936 -6.391 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -16.136 -15.409 -5.381 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -17.759 -14.477 -4.178 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -17.718 -13.238 -5.339 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -18.875 -14.475 -5.458 1.00 2.86 H new ATOM 913 N ILE A 76 -12.470 -10.244 -8.610 1.00 0.78 N ATOM 914 CA ILE A 76 -12.167 -9.191 -9.561 1.00 0.77 C ATOM 915 C ILE A 76 -10.743 -8.683 -9.354 1.00 0.69 C ATOM 916 O ILE A 76 -9.976 -8.537 -10.308 1.00 0.78 O ATOM 917 CB ILE A 76 -13.167 -8.017 -9.436 1.00 0.82 C ATOM 918 CG1 ILE A 76 -14.564 -8.468 -9.858 1.00 0.94 C ATOM 919 CG2 ILE A 76 -12.722 -6.825 -10.273 1.00 0.87 C ATOM 920 CD1 ILE A 76 -15.593 -8.340 -8.761 1.00 1.00 C ATOM 0 H ILE A 76 -12.440 -9.948 -7.634 1.00 0.78 H new ATOM 0 HA ILE A 76 -12.257 -9.611 -10.563 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.195 -7.705 -8.392 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -14.884 -7.878 -10.717 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -14.519 -9.507 -10.184 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -13.444 -6.015 -10.166 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -11.743 -6.486 -9.933 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -12.660 -7.119 -11.321 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -16.562 -8.678 -9.130 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.295 -8.952 -7.910 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -15.666 -7.298 -8.451 1.00 1.00 H new ATOM 932 N ILE A 77 -10.391 -8.435 -8.101 1.00 0.58 N ATOM 933 CA ILE A 77 -9.070 -7.933 -7.769 1.00 0.53 C ATOM 934 C ILE A 77 -8.090 -9.087 -7.592 1.00 0.64 C ATOM 935 O ILE A 77 -8.200 -9.872 -6.652 1.00 0.75 O ATOM 936 CB ILE A 77 -9.096 -7.073 -6.484 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.191 -6.002 -6.567 1.00 0.47 C ATOM 938 CG2 ILE A 77 -7.742 -6.423 -6.260 1.00 0.44 C ATOM 939 CD1 ILE A 77 -9.964 -4.973 -7.654 1.00 0.50 C ATOM 0 H ILE A 77 -11.004 -8.574 -7.298 1.00 0.58 H new ATOM 0 HA ILE A 77 -8.743 -7.303 -8.596 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.319 -7.726 -5.640 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.150 -6.490 -6.738 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.260 -5.492 -5.606 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -7.773 -5.820 -5.352 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -6.980 -7.196 -6.156 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.499 -5.786 -7.110 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -10.781 -4.251 -7.648 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.021 -4.456 -7.474 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -9.926 -5.470 -8.623 1.00 0.50 H new ATOM 951 N LYS A 78 -7.143 -9.194 -8.514 1.00 0.74 N ATOM 952 CA LYS A 78 -6.147 -10.258 -8.472 1.00 0.90 C ATOM 953 C LYS A 78 -5.093 -9.973 -7.410 1.00 0.73 C ATOM 954 O LYS A 78 -4.511 -10.894 -6.831 1.00 0.72 O ATOM 955 CB LYS A 78 -5.482 -10.416 -9.839 1.00 1.16 C ATOM 956 CG LYS A 78 -6.433 -10.899 -10.918 1.00 1.45 C ATOM 957 CD LYS A 78 -6.461 -9.945 -12.099 1.00 1.67 C ATOM 958 CE LYS A 78 -7.692 -10.168 -12.961 1.00 1.72 C ATOM 959 NZ LYS A 78 -7.382 -10.964 -14.177 1.00 1.99 N ATOM 0 H LYS A 78 -7.043 -8.555 -9.303 1.00 0.74 H new ATOM 0 HA LYS A 78 -6.654 -11.188 -8.214 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -5.057 -9.459 -10.141 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -4.654 -11.120 -9.753 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -6.129 -11.890 -11.256 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -7.436 -10.997 -10.504 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -6.449 -8.916 -11.738 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -5.563 -10.082 -12.701 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -8.456 -10.681 -12.377 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -8.109 -9.205 -13.255 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -8.248 -11.093 -14.737 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -6.672 -10.463 -14.748 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -7.008 -11.893 -13.898 1.00 1.99 H new ATOM 973 N ASN A 79 -4.852 -8.694 -7.158 1.00 0.67 N ATOM 974 CA ASN A 79 -3.871 -8.281 -6.163 1.00 0.56 C ATOM 975 C ASN A 79 -4.549 -7.455 -5.075 1.00 0.54 C ATOM 976 O ASN A 79 -4.531 -6.224 -5.117 1.00 0.52 O ATOM 977 CB ASN A 79 -2.745 -7.473 -6.815 1.00 0.60 C ATOM 978 CG ASN A 79 -1.682 -8.356 -7.442 1.00 1.09 C ATOM 979 OD1 ASN A 79 -1.256 -9.350 -6.856 1.00 2.05 O ATOM 980 ND2 ASN A 79 -1.247 -8.000 -8.642 1.00 1.28 N ATOM 0 H ASN A 79 -5.323 -7.922 -7.630 1.00 0.67 H new ATOM 0 HA ASN A 79 -3.436 -9.174 -5.714 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -3.167 -6.820 -7.579 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -2.283 -6.830 -6.066 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -0.534 -8.558 -9.112 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -1.625 -7.168 -9.096 1.00 1.28 H new ATOM 987 N PRO A 80 -5.177 -8.131 -4.102 1.00 0.58 N ATOM 988 CA PRO A 80 -5.914 -7.479 -3.018 1.00 0.60 C ATOM 989 C PRO A 80 -4.983 -6.889 -1.966 1.00 0.55 C ATOM 990 O PRO A 80 -4.499 -7.597 -1.084 1.00 0.64 O ATOM 991 CB PRO A 80 -6.749 -8.616 -2.409 1.00 0.70 C ATOM 992 CG PRO A 80 -6.534 -9.810 -3.283 1.00 0.89 C ATOM 993 CD PRO A 80 -5.221 -9.590 -3.966 1.00 0.67 C ATOM 0 HA PRO A 80 -6.512 -6.643 -3.381 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -6.437 -8.822 -1.385 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -7.804 -8.346 -2.372 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -6.519 -10.727 -2.694 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -7.340 -9.912 -4.010 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -4.387 -9.968 -3.375 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -5.178 -10.090 -4.934 1.00 0.67 H new ATOM 1001 N MET A 81 -4.745 -5.591 -2.060 1.00 0.46 N ATOM 1002 CA MET A 81 -3.819 -4.925 -1.162 1.00 0.43 C ATOM 1003 C MET A 81 -4.419 -3.651 -0.608 1.00 0.43 C ATOM 1004 O MET A 81 -5.507 -3.227 -1.002 1.00 0.55 O ATOM 1005 CB MET A 81 -2.503 -4.617 -1.877 1.00 0.44 C ATOM 1006 CG MET A 81 -1.358 -5.514 -1.440 1.00 0.74 C ATOM 1007 SD MET A 81 -1.082 -6.895 -2.565 1.00 0.82 S ATOM 1008 CE MET A 81 -1.445 -8.272 -1.483 1.00 0.70 C ATOM 0 H MET A 81 -5.181 -4.979 -2.749 1.00 0.46 H new ATOM 0 HA MET A 81 -3.618 -5.600 -0.330 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.648 -4.723 -2.952 1.00 0.44 H new ATOM 0 HB3 MET A 81 -2.232 -3.577 -1.693 1.00 0.44 H new ATOM 0 HG2 MET A 81 -0.446 -4.922 -1.369 1.00 0.74 H new ATOM 0 HG3 MET A 81 -1.566 -5.900 -0.442 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.513 -8.712 -1.129 1.00 0.70 H new ATOM 0 HE2 MET A 81 -2.028 -7.922 -0.631 1.00 0.70 H new ATOM 0 HE3 MET A 81 -2.016 -9.023 -2.029 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.679 -3.046 0.294 1.00 0.37 N ATOM 1019 CA ASP A 82 -4.144 -1.894 1.042 1.00 0.36 C ATOM 1020 C ASP A 82 -2.944 -1.043 1.447 1.00 0.35 C ATOM 1021 O ASP A 82 -2.124 -0.698 0.604 1.00 0.53 O ATOM 1022 CB ASP A 82 -4.943 -2.355 2.273 1.00 0.38 C ATOM 1023 CG ASP A 82 -4.221 -3.434 3.056 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -4.301 -4.622 2.670 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.544 -3.096 4.044 1.00 1.32 O ATOM 0 H ASP A 82 -2.732 -3.339 0.532 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.806 -1.289 0.422 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -5.130 -1.500 2.923 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.915 -2.730 1.953 1.00 0.38 H new ATOM 1030 N MET A 83 -2.811 -0.727 2.724 1.00 0.27 N ATOM 1031 CA MET A 83 -1.692 0.090 3.176 1.00 0.26 C ATOM 1032 C MET A 83 -0.951 -0.612 4.299 1.00 0.25 C ATOM 1033 O MET A 83 0.183 -0.265 4.629 1.00 0.26 O ATOM 1034 CB MET A 83 -2.164 1.471 3.634 1.00 0.31 C ATOM 1035 CG MET A 83 -1.233 2.596 3.207 1.00 0.43 C ATOM 1036 SD MET A 83 -0.806 3.709 4.562 1.00 0.80 S ATOM 1037 CE MET A 83 -2.414 4.385 4.968 1.00 0.38 C ATOM 0 H MET A 83 -3.454 -1.018 3.460 1.00 0.27 H new ATOM 0 HA MET A 83 -1.013 0.229 2.334 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.159 1.659 3.231 1.00 0.31 H new ATOM 0 HB3 MET A 83 -2.254 1.475 4.720 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.320 2.168 2.794 1.00 0.43 H new ATOM 0 HG3 MET A 83 -1.706 3.168 2.409 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.329 5.462 5.116 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.109 4.184 4.153 1.00 0.38 H new ATOM 0 HE3 MET A 83 -2.783 3.921 5.883 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.580 -1.633 4.855 1.00 0.26 N ATOM 1048 CA GLY A 84 -0.984 -2.362 5.942 1.00 0.29 C ATOM 1049 C GLY A 84 -0.216 -3.538 5.416 1.00 0.26 C ATOM 1050 O GLY A 84 0.816 -3.913 5.961 1.00 0.32 O ATOM 0 H GLY A 84 -2.499 -1.969 4.568 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.320 -1.708 6.508 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.758 -2.702 6.630 1.00 0.29 H new ATOM 1054 N THR A 85 -0.714 -4.105 4.327 1.00 0.24 N ATOM 1055 CA THR A 85 -0.043 -5.209 3.667 1.00 0.25 C ATOM 1056 C THR A 85 1.289 -4.753 3.091 1.00 0.26 C ATOM 1057 O THR A 85 2.295 -5.460 3.176 1.00 0.32 O ATOM 1058 CB THR A 85 -0.911 -5.795 2.538 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.733 -4.762 1.979 1.00 0.95 O ATOM 1060 CG2 THR A 85 -1.788 -6.928 3.048 1.00 0.84 C ATOM 0 H THR A 85 -1.585 -3.815 3.882 1.00 0.24 H new ATOM 0 HA THR A 85 0.128 -5.983 4.415 1.00 0.25 H new ATOM 0 HB THR A 85 -0.249 -6.197 1.771 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.673 -5.037 2.015 1.00 0.95 H new ATOM 0 HG21 THR A 85 -2.389 -7.321 2.228 1.00 0.84 H new ATOM 0 HG22 THR A 85 -1.159 -7.722 3.450 1.00 0.84 H new ATOM 0 HG23 THR A 85 -2.446 -6.554 3.833 1.00 0.84 H new ATOM 1068 N ILE A 86 1.279 -3.562 2.513 1.00 0.27 N ATOM 1069 CA ILE A 86 2.490 -2.942 2.010 1.00 0.31 C ATOM 1070 C ILE A 86 3.469 -2.711 3.154 1.00 0.29 C ATOM 1071 O ILE A 86 4.646 -3.064 3.064 1.00 0.32 O ATOM 1072 CB ILE A 86 2.162 -1.600 1.325 1.00 0.36 C ATOM 1073 CG1 ILE A 86 1.421 -1.850 0.012 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.425 -0.791 1.082 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.784 -0.608 -0.570 1.00 0.97 C ATOM 0 H ILE A 86 0.436 -3.003 2.381 1.00 0.27 H new ATOM 0 HA ILE A 86 2.944 -3.609 1.277 1.00 0.31 H new ATOM 0 HB ILE A 86 1.518 -1.022 1.988 1.00 0.36 H new ATOM 0 HG12 ILE A 86 2.118 -2.265 -0.716 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.648 -2.601 0.178 1.00 0.55 H new ATOM 0 HG21 ILE A 86 3.166 0.151 0.598 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.915 -0.587 2.034 1.00 0.36 H new ATOM 0 HG23 ILE A 86 4.101 -1.356 0.440 1.00 0.36 H new ATOM 0 HD11 ILE A 86 0.276 -0.861 -1.501 1.00 0.97 H new ATOM 0 HD12 ILE A 86 0.062 -0.203 0.139 1.00 0.97 H new ATOM 0 HD13 ILE A 86 1.554 0.137 -0.768 1.00 0.97 H new ATOM 1087 N LYS A 87 2.961 -2.141 4.240 1.00 0.29 N ATOM 1088 CA LYS A 87 3.774 -1.859 5.411 1.00 0.34 C ATOM 1089 C LYS A 87 4.326 -3.151 6.025 1.00 0.34 C ATOM 1090 O LYS A 87 5.431 -3.155 6.568 1.00 0.38 O ATOM 1091 CB LYS A 87 2.961 -1.048 6.436 1.00 0.41 C ATOM 1092 CG LYS A 87 2.736 -1.744 7.770 1.00 0.49 C ATOM 1093 CD LYS A 87 3.210 -0.886 8.930 1.00 0.69 C ATOM 1094 CE LYS A 87 2.494 -1.245 10.220 1.00 1.08 C ATOM 1095 NZ LYS A 87 2.933 -2.561 10.748 1.00 1.15 N ATOM 0 H LYS A 87 1.983 -1.865 4.331 1.00 0.29 H new ATOM 0 HA LYS A 87 4.631 -1.259 5.104 1.00 0.34 H new ATOM 0 HB2 LYS A 87 3.472 -0.103 6.618 1.00 0.41 H new ATOM 0 HB3 LYS A 87 1.991 -0.807 6.000 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.676 -1.968 7.891 1.00 0.49 H new ATOM 0 HG3 LYS A 87 3.266 -2.696 7.779 1.00 0.49 H new ATOM 0 HD2 LYS A 87 4.284 -1.013 9.062 1.00 0.69 H new ATOM 0 HD3 LYS A 87 3.039 0.166 8.699 1.00 0.69 H new ATOM 0 HE2 LYS A 87 2.682 -0.473 10.966 1.00 1.08 H new ATOM 0 HE3 LYS A 87 1.418 -1.264 10.045 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 2.421 -2.770 11.629 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 2.731 -3.302 10.046 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 3.955 -2.535 10.939 1.00 1.15 H new ATOM 1109 N LYS A 88 3.566 -4.250 5.925 1.00 0.35 N ATOM 1110 CA LYS A 88 4.012 -5.537 6.454 1.00 0.39 C ATOM 1111 C LYS A 88 5.306 -5.968 5.785 1.00 0.41 C ATOM 1112 O LYS A 88 6.295 -6.265 6.453 1.00 0.46 O ATOM 1113 CB LYS A 88 2.951 -6.616 6.225 1.00 0.42 C ATOM 1114 CG LYS A 88 1.745 -6.502 7.137 1.00 0.73 C ATOM 1115 CD LYS A 88 1.148 -7.865 7.444 1.00 1.26 C ATOM 1116 CE LYS A 88 -0.054 -7.754 8.369 1.00 1.68 C ATOM 1117 NZ LYS A 88 0.339 -7.370 9.750 1.00 2.46 N ATOM 0 H LYS A 88 2.646 -4.270 5.485 1.00 0.35 H new ATOM 0 HA LYS A 88 4.177 -5.416 7.525 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.616 -6.566 5.189 1.00 0.42 H new ATOM 0 HB3 LYS A 88 3.408 -7.595 6.366 1.00 0.42 H new ATOM 0 HG2 LYS A 88 2.036 -6.013 8.067 1.00 0.73 H new ATOM 0 HG3 LYS A 88 0.991 -5.871 6.667 1.00 0.73 H new ATOM 0 HD2 LYS A 88 0.849 -8.350 6.515 1.00 1.26 H new ATOM 0 HD3 LYS A 88 1.905 -8.499 7.905 1.00 1.26 H new ATOM 0 HE2 LYS A 88 -0.750 -7.015 7.972 1.00 1.68 H new ATOM 0 HE3 LYS A 88 -0.581 -8.708 8.394 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 -0.498 -7.388 10.367 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 1.048 -8.041 10.109 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 0.743 -6.412 9.742 1.00 2.46 H new ATOM 1131 N ARG A 89 5.290 -5.980 4.461 1.00 0.40 N ATOM 1132 CA ARG A 89 6.438 -6.422 3.682 1.00 0.44 C ATOM 1133 C ARG A 89 7.586 -5.419 3.771 1.00 0.43 C ATOM 1134 O ARG A 89 8.755 -5.797 3.692 1.00 0.48 O ATOM 1135 CB ARG A 89 6.033 -6.632 2.225 1.00 0.47 C ATOM 1136 CG ARG A 89 5.578 -8.054 1.926 1.00 0.68 C ATOM 1137 CD ARG A 89 4.544 -8.095 0.815 1.00 0.64 C ATOM 1138 NE ARG A 89 5.083 -7.608 -0.454 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.364 -6.927 -1.352 1.00 0.78 C ATOM 1140 NH1 ARG A 89 3.085 -6.663 -1.116 1.00 1.16 N ATOM 1141 NH2 ARG A 89 4.919 -6.520 -2.489 1.00 1.03 N ATOM 0 H ARG A 89 4.490 -5.687 3.900 1.00 0.40 H new ATOM 0 HA ARG A 89 6.785 -7.368 4.097 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.228 -5.940 1.975 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.877 -6.385 1.581 1.00 0.47 H new ATOM 0 HG2 ARG A 89 6.439 -8.659 1.643 1.00 0.68 H new ATOM 0 HG3 ARG A 89 5.159 -8.499 2.829 1.00 0.68 H new ATOM 0 HD2 ARG A 89 4.188 -9.117 0.689 1.00 0.64 H new ATOM 0 HD3 ARG A 89 3.683 -7.490 1.099 1.00 0.64 H new ATOM 0 HE ARG A 89 6.062 -7.799 -0.666 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.650 -6.980 -0.249 1.00 1.16 H new ATOM 0 HH12 ARG A 89 2.537 -6.143 -1.801 1.00 1.16 H new ATOM 0 HH21 ARG A 89 5.899 -6.727 -2.681 1.00 1.03 H new ATOM 0 HH22 ARG A 89 4.365 -6.001 -3.170 1.00 1.03 H new ATOM 1155 N LEU A 90 7.247 -4.148 3.935 1.00 0.40 N ATOM 1156 CA LEU A 90 8.247 -3.095 4.069 1.00 0.41 C ATOM 1157 C LEU A 90 9.042 -3.255 5.355 1.00 0.44 C ATOM 1158 O LEU A 90 10.268 -3.358 5.334 1.00 0.49 O ATOM 1159 CB LEU A 90 7.574 -1.725 4.059 1.00 0.39 C ATOM 1160 CG LEU A 90 7.740 -0.934 2.766 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.823 0.277 2.765 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.189 -0.510 2.575 1.00 0.45 C ATOM 0 H LEU A 90 6.283 -3.819 3.979 1.00 0.40 H new ATOM 0 HA LEU A 90 8.930 -3.174 3.223 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.509 -1.859 4.251 1.00 0.39 H new ATOM 0 HB3 LEU A 90 7.975 -1.134 4.883 1.00 0.39 H new ATOM 0 HG LEU A 90 7.463 -1.578 1.931 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.953 0.831 1.836 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.787 -0.051 2.850 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.070 0.921 3.609 1.00 0.38 H new ATOM 0 HD21 LEU A 90 9.284 0.053 1.646 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.498 0.116 3.412 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.824 -1.395 2.530 1.00 0.45 H new ATOM 1174 N GLU A 91 8.332 -3.281 6.474 1.00 0.45 N ATOM 1175 CA GLU A 91 8.967 -3.367 7.783 1.00 0.50 C ATOM 1176 C GLU A 91 9.629 -4.730 7.987 1.00 0.54 C ATOM 1177 O GLU A 91 10.617 -4.845 8.710 1.00 0.64 O ATOM 1178 CB GLU A 91 7.946 -3.097 8.893 1.00 0.53 C ATOM 1179 CG GLU A 91 6.994 -4.255 9.145 1.00 0.76 C ATOM 1180 CD GLU A 91 5.777 -3.869 9.959 1.00 0.94 C ATOM 1181 OE1 GLU A 91 5.677 -2.700 10.390 1.00 1.23 O ATOM 1182 OE2 GLU A 91 4.907 -4.739 10.176 1.00 1.39 O ATOM 0 H GLU A 91 7.313 -3.244 6.502 1.00 0.45 H new ATOM 0 HA GLU A 91 9.744 -2.604 7.830 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.479 -2.869 9.816 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.366 -2.212 8.633 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.667 -4.662 8.188 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.530 -5.050 9.663 1.00 0.76 H new ATOM 1189 N ASN A 92 9.087 -5.756 7.339 1.00 0.51 N ATOM 1190 CA ASN A 92 9.634 -7.104 7.443 1.00 0.57 C ATOM 1191 C ASN A 92 10.834 -7.274 6.525 1.00 0.60 C ATOM 1192 O ASN A 92 11.563 -8.262 6.619 1.00 0.68 O ATOM 1193 CB ASN A 92 8.569 -8.138 7.090 1.00 0.60 C ATOM 1194 CG ASN A 92 8.820 -9.481 7.746 1.00 0.69 C ATOM 1195 OD1 ASN A 92 9.393 -9.566 8.832 1.00 1.00 O ATOM 1196 ND2 ASN A 92 8.391 -10.538 7.086 1.00 1.30 N ATOM 0 H ASN A 92 8.268 -5.679 6.735 1.00 0.51 H new ATOM 0 HA ASN A 92 9.956 -7.257 8.473 1.00 0.57 H new ATOM 0 HB2 ASN A 92 7.591 -7.766 7.396 1.00 0.60 H new ATOM 0 HB3 ASN A 92 8.537 -8.267 6.008 1.00 0.60 H new ATOM 0 HD21 ASN A 92 8.529 -11.472 7.473 1.00 1.30 H new ATOM 0 HD22 ASN A 92 7.921 -10.422 6.188 1.00 1.30 H new ATOM 1203 N ASN A 93 11.033 -6.293 5.649 1.00 0.58 N ATOM 1204 CA ASN A 93 12.115 -6.325 4.670 1.00 0.62 C ATOM 1205 C ASN A 93 11.963 -7.537 3.757 1.00 0.66 C ATOM 1206 O ASN A 93 12.812 -8.429 3.729 1.00 0.77 O ATOM 1207 CB ASN A 93 13.480 -6.337 5.370 1.00 0.70 C ATOM 1208 CG ASN A 93 14.625 -6.107 4.411 1.00 0.87 C ATOM 1209 OD1 ASN A 93 15.559 -6.906 4.336 1.00 1.75 O ATOM 1210 ND2 ASN A 93 14.565 -5.009 3.678 1.00 1.22 N ATOM 0 H ASN A 93 10.451 -5.457 5.598 1.00 0.58 H new ATOM 0 HA ASN A 93 12.059 -5.424 4.060 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.496 -5.567 6.141 1.00 0.70 H new ATOM 0 HB3 ASN A 93 13.618 -7.294 5.873 1.00 0.70 H new ATOM 0 HD21 ASN A 93 15.312 -4.796 3.017 1.00 1.22 H new ATOM 0 HD22 ASN A 93 13.772 -4.375 3.773 1.00 1.22 H new ATOM 1217 N TYR A 94 10.856 -7.574 3.026 1.00 0.61 N ATOM 1218 CA TYR A 94 10.567 -8.691 2.142 1.00 0.67 C ATOM 1219 C TYR A 94 11.340 -8.578 0.828 1.00 0.70 C ATOM 1220 O TYR A 94 12.022 -9.519 0.421 1.00 0.79 O ATOM 1221 CB TYR A 94 9.069 -8.776 1.850 1.00 0.71 C ATOM 1222 CG TYR A 94 8.750 -9.713 0.713 1.00 0.71 C ATOM 1223 CD1 TYR A 94 9.034 -11.065 0.812 1.00 0.77 C ATOM 1224 CD2 TYR A 94 8.191 -9.240 -0.464 1.00 0.74 C ATOM 1225 CE1 TYR A 94 8.767 -11.925 -0.228 1.00 0.83 C ATOM 1226 CE2 TYR A 94 7.926 -10.091 -1.517 1.00 0.81 C ATOM 1227 CZ TYR A 94 8.213 -11.433 -1.394 1.00 0.85 C ATOM 1228 OH TYR A 94 7.962 -12.283 -2.443 1.00 0.96 O ATOM 0 H TYR A 94 10.145 -6.843 3.029 1.00 0.61 H new ATOM 0 HA TYR A 94 10.885 -9.600 2.653 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.547 -9.109 2.747 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.692 -7.781 1.612 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.472 -11.450 1.721 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.959 -8.189 -0.558 1.00 0.74 H new ATOM 0 HE1 TYR A 94 8.989 -12.978 -0.134 1.00 0.83 H new ATOM 0 HE2 TYR A 94 7.497 -9.708 -2.431 1.00 0.81 H new ATOM 0 HH TYR A 94 7.571 -11.778 -3.187 1.00 0.96 H new ATOM 1238 N TYR A 95 11.217 -7.432 0.169 1.00 0.77 N ATOM 1239 CA TYR A 95 11.823 -7.238 -1.145 1.00 0.88 C ATOM 1240 C TYR A 95 13.160 -6.526 -1.027 1.00 0.75 C ATOM 1241 O TYR A 95 13.615 -6.206 0.072 1.00 1.04 O ATOM 1242 CB TYR A 95 10.894 -6.444 -2.075 1.00 1.17 C ATOM 1243 CG TYR A 95 9.840 -5.636 -1.358 1.00 0.95 C ATOM 1244 CD1 TYR A 95 10.188 -4.568 -0.546 1.00 1.05 C ATOM 1245 CD2 TYR A 95 8.498 -5.950 -1.494 1.00 0.92 C ATOM 1246 CE1 TYR A 95 9.225 -3.834 0.114 1.00 1.09 C ATOM 1247 CE2 TYR A 95 7.527 -5.224 -0.835 1.00 0.96 C ATOM 1248 CZ TYR A 95 7.894 -4.167 -0.034 1.00 1.04 C ATOM 1249 OH TYR A 95 6.931 -3.454 0.632 1.00 1.28 O ATOM 0 H TYR A 95 10.704 -6.624 0.521 1.00 0.77 H new ATOM 0 HA TYR A 95 11.985 -8.226 -1.576 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.498 -5.772 -2.685 1.00 1.17 H new ATOM 0 HB3 TYR A 95 10.402 -7.138 -2.757 1.00 1.17 H new ATOM 0 HD1 TYR A 95 11.229 -4.307 -0.428 1.00 1.05 H new ATOM 0 HD2 TYR A 95 8.207 -6.776 -2.126 1.00 0.92 H new ATOM 0 HE1 TYR A 95 9.511 -3.004 0.743 1.00 1.09 H new ATOM 0 HE2 TYR A 95 6.485 -5.484 -0.947 1.00 0.96 H new ATOM 0 HH TYR A 95 6.800 -2.589 0.190 1.00 1.28 H new ATOM 1259 N TRP A 96 13.778 -6.279 -2.169 1.00 0.72 N ATOM 1260 CA TRP A 96 15.067 -5.621 -2.205 1.00 0.65 C ATOM 1261 C TRP A 96 14.940 -4.141 -1.868 1.00 0.61 C ATOM 1262 O TRP A 96 15.615 -3.641 -0.971 1.00 0.64 O ATOM 1263 CB TRP A 96 15.710 -5.782 -3.582 1.00 0.68 C ATOM 1264 CG TRP A 96 17.194 -5.598 -3.550 1.00 0.72 C ATOM 1265 CD1 TRP A 96 17.869 -4.482 -3.151 1.00 0.70 C ATOM 1266 CD2 TRP A 96 18.186 -6.552 -3.934 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.219 -4.697 -3.233 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.442 -5.956 -3.721 1.00 0.86 C ATOM 1269 CE3 TRP A 96 18.136 -7.854 -4.429 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 20.635 -6.618 -3.989 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 19.323 -8.512 -4.697 1.00 1.03 C ATOM 1272 CH2 TRP A 96 20.557 -7.892 -4.476 1.00 1.05 C ATOM 0 H TRP A 96 13.404 -6.526 -3.085 1.00 0.72 H new ATOM 0 HA TRP A 96 15.701 -6.093 -1.454 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.479 -6.773 -3.973 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.273 -5.058 -4.270 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.407 -3.564 -2.819 1.00 0.70 H new ATOM 0 HE1 TRP A 96 19.942 -4.027 -2.972 1.00 0.79 H new ATOM 0 HE3 TRP A 96 17.187 -8.341 -4.600 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 21.589 -6.142 -3.818 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 19.296 -9.520 -5.083 1.00 1.03 H new ATOM 0 HH2 TRP A 96 21.467 -8.431 -4.695 1.00 1.05 H new ATOM 1283 N SER A 97 14.077 -3.442 -2.587 1.00 0.60 N ATOM 1284 CA SER A 97 13.991 -2.000 -2.455 1.00 0.56 C ATOM 1285 C SER A 97 12.553 -1.506 -2.627 1.00 0.54 C ATOM 1286 O SER A 97 11.629 -2.297 -2.843 1.00 0.55 O ATOM 1287 CB SER A 97 14.919 -1.354 -3.485 1.00 0.58 C ATOM 1288 OG SER A 97 14.982 0.054 -3.326 1.00 1.00 O ATOM 0 H SER A 97 13.431 -3.848 -3.264 1.00 0.60 H new ATOM 0 HA SER A 97 14.305 -1.715 -1.451 1.00 0.56 H new ATOM 0 HB2 SER A 97 15.919 -1.776 -3.388 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.569 -1.591 -4.490 1.00 0.58 H new ATOM 0 HG SER A 97 15.569 0.272 -2.572 1.00 1.00 H new ATOM 1294 N ALA A 98 12.375 -0.190 -2.547 1.00 0.54 N ATOM 1295 CA ALA A 98 11.058 0.422 -2.627 1.00 0.56 C ATOM 1296 C ALA A 98 10.557 0.461 -4.065 1.00 0.52 C ATOM 1297 O ALA A 98 9.408 0.817 -4.317 1.00 0.53 O ATOM 1298 CB ALA A 98 11.082 1.822 -2.037 1.00 0.66 C ATOM 0 H ALA A 98 13.137 0.477 -2.426 1.00 0.54 H new ATOM 0 HA ALA A 98 10.369 -0.190 -2.045 1.00 0.56 H new ATOM 0 HB1 ALA A 98 10.088 2.263 -2.106 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.384 1.771 -0.991 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.791 2.438 -2.590 1.00 0.66 H new ATOM 1304 N SER A 99 11.419 0.087 -5.004 1.00 0.52 N ATOM 1305 CA SER A 99 11.031 -0.018 -6.400 1.00 0.54 C ATOM 1306 C SER A 99 9.907 -1.038 -6.549 1.00 0.48 C ATOM 1307 O SER A 99 9.000 -0.876 -7.365 1.00 0.50 O ATOM 1308 CB SER A 99 12.240 -0.433 -7.235 1.00 0.62 C ATOM 1309 OG SER A 99 13.313 -0.828 -6.392 1.00 0.85 O ATOM 0 H SER A 99 12.394 -0.149 -4.820 1.00 0.52 H new ATOM 0 HA SER A 99 10.672 0.949 -6.752 1.00 0.54 H new ATOM 0 HB2 SER A 99 11.968 -1.255 -7.897 1.00 0.62 H new ATOM 0 HB3 SER A 99 12.554 0.396 -7.869 1.00 0.62 H new ATOM 0 HG SER A 99 14.080 -1.093 -6.941 1.00 0.85 H new ATOM 1315 N GLU A 100 9.968 -2.077 -5.726 1.00 0.46 N ATOM 1316 CA GLU A 100 8.946 -3.106 -5.705 1.00 0.48 C ATOM 1317 C GLU A 100 7.682 -2.578 -5.030 1.00 0.44 C ATOM 1318 O GLU A 100 6.564 -2.957 -5.377 1.00 0.52 O ATOM 1319 CB GLU A 100 9.478 -4.335 -4.966 1.00 0.56 C ATOM 1320 CG GLU A 100 9.129 -5.651 -5.639 1.00 1.03 C ATOM 1321 CD GLU A 100 10.328 -6.301 -6.300 1.00 1.83 C ATOM 1322 OE1 GLU A 100 11.302 -5.583 -6.619 1.00 2.44 O ATOM 1323 OE2 GLU A 100 10.305 -7.533 -6.496 1.00 2.37 O ATOM 0 H GLU A 100 10.725 -2.226 -5.059 1.00 0.46 H new ATOM 0 HA GLU A 100 8.694 -3.388 -6.727 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.562 -4.256 -4.882 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.079 -4.339 -3.952 1.00 0.56 H new ATOM 0 HG2 GLU A 100 8.711 -6.334 -4.899 1.00 1.03 H new ATOM 0 HG3 GLU A 100 8.355 -5.479 -6.387 1.00 1.03 H new ATOM 1330 N CYS A 101 7.877 -1.670 -4.086 1.00 0.41 N ATOM 1331 CA CYS A 101 6.777 -1.079 -3.336 1.00 0.44 C ATOM 1332 C CYS A 101 6.006 -0.072 -4.186 1.00 0.38 C ATOM 1333 O CYS A 101 4.811 0.140 -3.980 1.00 0.38 O ATOM 1334 CB CYS A 101 7.317 -0.400 -2.080 1.00 0.57 C ATOM 1335 SG CYS A 101 6.401 -0.791 -0.580 1.00 0.95 S ATOM 0 H CYS A 101 8.798 -1.323 -3.818 1.00 0.41 H new ATOM 0 HA CYS A 101 6.089 -1.875 -3.052 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.359 -0.690 -1.943 1.00 0.57 H new ATOM 0 HB3 CYS A 101 7.304 0.680 -2.230 1.00 0.57 H new ATOM 0 HG CYS A 101 5.920 0.303 -0.067 1.00 0.95 H new ATOM 1341 N MET A 102 6.696 0.546 -5.140 1.00 0.39 N ATOM 1342 CA MET A 102 6.066 1.494 -6.056 1.00 0.44 C ATOM 1343 C MET A 102 4.935 0.817 -6.824 1.00 0.36 C ATOM 1344 O MET A 102 3.893 1.421 -7.089 1.00 0.39 O ATOM 1345 CB MET A 102 7.102 2.062 -7.031 1.00 0.58 C ATOM 1346 CG MET A 102 6.771 3.459 -7.533 1.00 0.75 C ATOM 1347 SD MET A 102 7.923 4.703 -6.915 1.00 1.02 S ATOM 1348 CE MET A 102 7.285 4.960 -5.262 1.00 1.13 C ATOM 0 H MET A 102 7.694 0.407 -5.300 1.00 0.39 H new ATOM 0 HA MET A 102 5.650 2.315 -5.473 1.00 0.44 H new ATOM 0 HB2 MET A 102 8.075 2.083 -6.541 1.00 0.58 H new ATOM 0 HB3 MET A 102 7.190 1.390 -7.885 1.00 0.58 H new ATOM 0 HG2 MET A 102 6.786 3.463 -8.623 1.00 0.75 H new ATOM 0 HG3 MET A 102 5.758 3.722 -7.227 1.00 0.75 H new ATOM 0 HE1 MET A 102 7.848 5.755 -4.774 1.00 1.13 H new ATOM 0 HE2 MET A 102 6.233 5.242 -5.318 1.00 1.13 H new ATOM 0 HE3 MET A 102 7.384 4.040 -4.687 1.00 1.13 H new ATOM 1358 N GLN A 103 5.144 -0.451 -7.151 1.00 0.34 N ATOM 1359 CA GLN A 103 4.143 -1.236 -7.857 1.00 0.36 C ATOM 1360 C GLN A 103 2.954 -1.527 -6.945 1.00 0.30 C ATOM 1361 O GLN A 103 1.798 -1.458 -7.372 1.00 0.31 O ATOM 1362 CB GLN A 103 4.767 -2.545 -8.358 1.00 0.43 C ATOM 1363 CG GLN A 103 3.769 -3.678 -8.552 1.00 1.36 C ATOM 1364 CD GLN A 103 4.383 -5.047 -8.329 1.00 2.17 C ATOM 1365 OE1 GLN A 103 4.867 -5.683 -9.267 1.00 2.70 O ATOM 1366 NE2 GLN A 103 4.368 -5.515 -7.089 1.00 2.96 N ATOM 0 H GLN A 103 6.002 -0.959 -6.937 1.00 0.34 H new ATOM 0 HA GLN A 103 3.785 -0.665 -8.714 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.272 -2.355 -9.305 1.00 0.43 H new ATOM 0 HB3 GLN A 103 5.530 -2.865 -7.649 1.00 0.43 H new ATOM 0 HG2 GLN A 103 2.934 -3.543 -7.864 1.00 1.36 H new ATOM 0 HG3 GLN A 103 3.361 -3.628 -9.562 1.00 1.36 H new ATOM 0 HE21 GLN A 103 3.958 -4.959 -6.339 1.00 2.96 H new ATOM 0 HE22 GLN A 103 4.766 -6.432 -6.885 1.00 2.96 H new ATOM 1375 N ASP A 104 3.246 -1.827 -5.686 1.00 0.30 N ATOM 1376 CA ASP A 104 2.218 -2.198 -4.727 1.00 0.32 C ATOM 1377 C ASP A 104 1.348 -1.004 -4.370 1.00 0.29 C ATOM 1378 O ASP A 104 0.122 -1.084 -4.421 1.00 0.31 O ATOM 1379 CB ASP A 104 2.857 -2.766 -3.464 1.00 0.48 C ATOM 1380 CG ASP A 104 2.843 -4.279 -3.437 1.00 0.88 C ATOM 1381 OD1 ASP A 104 3.645 -4.899 -4.171 1.00 1.09 O ATOM 1382 OD2 ASP A 104 2.049 -4.854 -2.669 1.00 1.87 O ATOM 0 H ASP A 104 4.192 -1.820 -5.305 1.00 0.30 H new ATOM 0 HA ASP A 104 1.588 -2.959 -5.186 1.00 0.32 H new ATOM 0 HB2 ASP A 104 3.886 -2.414 -3.392 1.00 0.48 H new ATOM 0 HB3 ASP A 104 2.328 -2.385 -2.590 1.00 0.48 H new ATOM 1387 N PHE A 105 1.993 0.107 -4.025 1.00 0.30 N ATOM 1388 CA PHE A 105 1.287 1.331 -3.646 1.00 0.33 C ATOM 1389 C PHE A 105 0.324 1.764 -4.740 1.00 0.32 C ATOM 1390 O PHE A 105 -0.825 2.105 -4.469 1.00 0.38 O ATOM 1391 CB PHE A 105 2.283 2.451 -3.364 1.00 0.38 C ATOM 1392 CG PHE A 105 2.299 2.899 -1.929 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.335 3.775 -1.444 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.287 2.457 -1.068 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.361 4.195 -0.129 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.316 2.872 0.249 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.353 3.743 0.720 1.00 0.33 C ATOM 0 H PHE A 105 3.010 0.186 -4.000 1.00 0.30 H new ATOM 0 HA PHE A 105 0.715 1.123 -2.742 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.282 2.115 -3.642 1.00 0.38 H new ATOM 0 HB3 PHE A 105 2.046 3.304 -3.999 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.557 4.131 -2.103 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.045 1.779 -1.430 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.607 4.876 0.236 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.092 2.515 0.911 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.375 4.070 1.749 1.00 0.33 H new ATOM 1407 N ASN A 106 0.796 1.734 -5.980 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.043 2.082 -7.119 1.00 0.34 C ATOM 1409 C ASN A 106 -1.237 1.140 -7.203 1.00 0.32 C ATOM 1410 O ASN A 106 -2.375 1.575 -7.379 1.00 0.38 O ATOM 1411 CB ASN A 106 0.764 2.021 -8.416 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.121 1.994 -9.649 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -0.792 2.975 -9.969 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.134 0.867 -10.342 1.00 0.97 N ATOM 0 H ASN A 106 1.752 1.473 -6.222 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.406 3.100 -6.981 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.428 2.884 -8.468 1.00 0.36 H new ATOM 0 HB3 ASN A 106 1.395 1.133 -8.406 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.716 0.788 -11.176 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.438 0.077 -10.042 1.00 0.97 H new ATOM 1421 N THR A 107 -0.967 -0.151 -7.044 1.00 0.29 N ATOM 1422 CA THR A 107 -1.998 -1.176 -7.125 1.00 0.30 C ATOM 1423 C THR A 107 -3.026 -1.025 -6.004 1.00 0.26 C ATOM 1424 O THR A 107 -4.222 -1.245 -6.213 1.00 0.27 O ATOM 1425 CB THR A 107 -1.363 -2.579 -7.075 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.524 -2.765 -8.223 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.424 -3.669 -7.031 1.00 0.39 C ATOM 0 H THR A 107 -0.032 -0.514 -6.856 1.00 0.29 H new ATOM 0 HA THR A 107 -2.516 -1.051 -8.076 1.00 0.30 H new ATOM 0 HB THR A 107 -0.769 -2.652 -6.164 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.347 -2.345 -8.063 1.00 0.43 H new ATOM 0 HG21 THR A 107 -1.941 -4.646 -6.996 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.043 -3.539 -6.143 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.049 -3.605 -7.922 1.00 0.39 H new ATOM 1435 N MET A 108 -2.555 -0.643 -4.825 1.00 0.26 N ATOM 1436 CA MET A 108 -3.428 -0.400 -3.681 1.00 0.26 C ATOM 1437 C MET A 108 -4.458 0.678 -4.008 1.00 0.24 C ATOM 1438 O MET A 108 -5.605 0.612 -3.563 1.00 0.27 O ATOM 1439 CB MET A 108 -2.584 0.005 -2.465 1.00 0.32 C ATOM 1440 CG MET A 108 -3.160 1.160 -1.658 1.00 0.62 C ATOM 1441 SD MET A 108 -1.889 2.263 -1.015 1.00 0.88 S ATOM 1442 CE MET A 108 -2.888 3.391 -0.054 1.00 0.83 C ATOM 0 H MET A 108 -1.564 -0.493 -4.633 1.00 0.26 H new ATOM 0 HA MET A 108 -3.968 -1.317 -3.446 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.473 -0.860 -1.811 1.00 0.32 H new ATOM 0 HB3 MET A 108 -1.585 0.278 -2.806 1.00 0.32 H new ATOM 0 HG2 MET A 108 -3.846 1.730 -2.285 1.00 0.62 H new ATOM 0 HG3 MET A 108 -3.744 0.762 -0.828 1.00 0.62 H new ATOM 0 HE1 MET A 108 -2.245 4.129 0.426 1.00 0.83 H new ATOM 0 HE2 MET A 108 -3.596 3.898 -0.709 1.00 0.83 H new ATOM 0 HE3 MET A 108 -3.433 2.835 0.708 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.054 1.655 -4.806 1.00 0.22 N ATOM 1453 CA PHE A 109 -4.939 2.743 -5.165 1.00 0.23 C ATOM 1454 C PHE A 109 -5.902 2.308 -6.264 1.00 0.23 C ATOM 1455 O PHE A 109 -7.071 2.692 -6.259 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.137 3.975 -5.589 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.693 4.813 -4.422 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.625 5.466 -3.634 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.349 4.934 -4.103 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.228 6.228 -2.552 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -1.946 5.693 -3.019 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.887 6.340 -2.243 1.00 0.22 C ATOM 0 H PHE A 109 -3.121 1.713 -5.214 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.528 3.014 -4.289 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.262 3.656 -6.155 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.744 4.585 -6.258 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.676 5.379 -3.868 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.609 4.430 -4.707 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.966 6.736 -1.948 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.896 5.779 -2.780 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.575 6.933 -1.396 1.00 0.22 H new ATOM 1472 N THR A 110 -5.421 1.490 -7.197 1.00 0.22 N ATOM 1473 CA THR A 110 -6.283 0.942 -8.233 1.00 0.26 C ATOM 1474 C THR A 110 -7.333 0.020 -7.625 1.00 0.25 C ATOM 1475 O THR A 110 -8.479 -0.005 -8.067 1.00 0.27 O ATOM 1476 CB THR A 110 -5.481 0.158 -9.283 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.075 0.359 -9.086 1.00 0.49 O ATOM 1478 CG2 THR A 110 -5.865 0.598 -10.677 1.00 0.66 C ATOM 0 H THR A 110 -4.446 1.196 -7.255 1.00 0.22 H new ATOM 0 HA THR A 110 -6.769 1.786 -8.722 1.00 0.26 H new ATOM 0 HB THR A 110 -5.711 -0.901 -9.169 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.574 -0.184 -9.729 1.00 0.49 H new ATOM 0 HG21 THR A 110 -5.288 0.033 -11.409 1.00 0.66 H new ATOM 0 HG22 THR A 110 -6.928 0.417 -10.836 1.00 0.66 H new ATOM 0 HG23 THR A 110 -5.656 1.662 -10.793 1.00 0.66 H new ATOM 1486 N ASN A 111 -6.914 -0.722 -6.602 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.790 -1.630 -5.855 1.00 0.27 C ATOM 1488 C ASN A 111 -9.133 -0.971 -5.560 1.00 0.26 C ATOM 1489 O ASN A 111 -10.194 -1.488 -5.925 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.117 -2.016 -4.530 1.00 0.33 C ATOM 1491 CG ASN A 111 -6.544 -3.419 -4.526 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -7.073 -4.315 -3.872 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -5.445 -3.614 -5.234 1.00 1.61 N ATOM 0 H ASN A 111 -5.952 -0.712 -6.264 1.00 0.24 H new ATOM 0 HA ASN A 111 -7.962 -2.519 -6.462 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.318 -1.306 -4.318 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -7.845 -1.928 -3.723 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -5.006 -4.534 -5.251 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -5.036 -2.844 -5.764 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.064 0.194 -4.928 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.243 0.958 -4.557 1.00 0.30 C ATOM 1502 C CYS A 112 -11.099 1.316 -5.776 1.00 0.31 C ATOM 1503 O CYS A 112 -12.310 1.114 -5.775 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.808 2.237 -3.839 1.00 0.36 C ATOM 1505 SG CYS A 112 -11.008 2.866 -2.653 1.00 0.63 S ATOM 0 H CYS A 112 -8.185 0.635 -4.659 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.852 0.341 -3.897 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -8.868 2.047 -3.321 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -9.612 3.009 -4.583 1.00 0.36 H new ATOM 0 HG CYS A 112 -11.540 1.872 -2.005 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.458 1.823 -6.820 1.00 0.32 N ATOM 1512 CA TYR A 113 -11.173 2.384 -7.965 1.00 0.36 C ATOM 1513 C TYR A 113 -11.787 1.310 -8.861 1.00 0.41 C ATOM 1514 O TYR A 113 -12.647 1.605 -9.693 1.00 0.52 O ATOM 1515 CB TYR A 113 -10.235 3.269 -8.781 1.00 0.36 C ATOM 1516 CG TYR A 113 -10.021 4.616 -8.144 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -10.985 5.605 -8.243 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -8.867 4.890 -7.424 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -10.806 6.835 -7.645 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -8.678 6.118 -6.824 1.00 0.65 C ATOM 1521 CZ TYR A 113 -9.653 7.087 -6.937 1.00 0.66 C ATOM 1522 OH TYR A 113 -9.472 8.312 -6.339 1.00 0.81 O ATOM 0 H TYR A 113 -9.442 1.859 -6.901 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.996 2.979 -7.569 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.274 2.767 -8.896 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.646 3.404 -9.782 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -11.891 5.410 -8.797 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -8.105 4.130 -7.332 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -11.567 7.597 -7.732 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -7.773 6.319 -6.270 1.00 0.65 H new ATOM 0 HH TYR A 113 -8.607 8.327 -5.878 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.343 0.071 -8.701 1.00 0.37 N ATOM 1533 CA ILE A 114 -11.851 -1.025 -9.516 1.00 0.43 C ATOM 1534 C ILE A 114 -13.036 -1.710 -8.845 1.00 0.47 C ATOM 1535 O ILE A 114 -14.109 -1.834 -9.436 1.00 0.55 O ATOM 1536 CB ILE A 114 -10.760 -2.075 -9.807 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.592 -1.443 -10.571 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.341 -3.244 -10.597 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.367 -2.329 -10.645 1.00 0.44 C ATOM 0 H ILE A 114 -10.636 -0.200 -8.018 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.175 -0.585 -10.459 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.385 -2.451 -8.855 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -9.918 -1.203 -11.583 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.321 -0.502 -10.091 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.557 -3.976 -10.794 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.138 -3.713 -10.020 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -11.743 -2.880 -11.543 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.581 -1.817 -11.200 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.016 -2.549 -9.637 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.621 -3.260 -11.152 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.849 -2.149 -7.607 1.00 0.44 N ATOM 1552 CA TYR A 115 -13.884 -2.905 -6.918 1.00 0.51 C ATOM 1553 C TYR A 115 -14.978 -1.986 -6.390 1.00 0.52 C ATOM 1554 O TYR A 115 -16.166 -2.307 -6.472 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.287 -3.722 -5.773 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.235 -4.770 -5.227 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -14.394 -5.993 -5.868 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -14.965 -4.535 -4.070 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -15.262 -6.949 -5.371 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -15.834 -5.486 -3.568 1.00 1.03 C ATOM 1561 CZ TYR A 115 -15.976 -6.691 -4.219 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.839 -7.642 -3.719 1.00 1.22 O ATOM 0 H TYR A 115 -11.999 -1.996 -7.065 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.330 -3.588 -7.641 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.377 -4.211 -6.121 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -12.998 -3.048 -4.967 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -13.832 -6.200 -6.767 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -14.852 -3.593 -3.553 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -15.380 -7.893 -5.882 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -16.399 -5.285 -2.670 1.00 1.03 H new ATOM 0 HH TYR A 115 -17.136 -8.229 -4.446 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.579 -0.839 -5.863 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.533 0.092 -5.273 1.00 0.41 C ATOM 1574 C ASN A 116 -16.115 1.009 -6.343 1.00 0.45 C ATOM 1575 O ASN A 116 -15.951 0.764 -7.541 1.00 0.64 O ATOM 1576 CB ASN A 116 -14.877 0.906 -4.156 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.582 0.058 -2.931 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.482 -0.544 -2.341 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.318 -0.003 -2.545 1.00 0.88 N ATOM 0 H ASN A 116 -13.607 -0.530 -5.831 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.349 -0.483 -4.835 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -13.950 1.345 -4.524 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -15.532 1.731 -3.876 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -13.059 -0.563 -1.733 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.602 0.510 -3.060 1.00 0.88 H new ATOM 1586 N LYS A 117 -16.812 2.048 -5.922 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.457 2.956 -6.858 1.00 0.53 C ATOM 1588 C LYS A 117 -16.776 4.318 -6.836 1.00 0.52 C ATOM 1589 O LYS A 117 -16.174 4.691 -5.835 1.00 0.55 O ATOM 1590 CB LYS A 117 -18.943 3.098 -6.511 1.00 0.65 C ATOM 1591 CG LYS A 117 -19.861 2.311 -7.433 1.00 1.20 C ATOM 1592 CD LYS A 117 -19.562 0.818 -7.381 1.00 1.82 C ATOM 1593 CE LYS A 117 -19.304 0.246 -8.766 1.00 2.62 C ATOM 1594 NZ LYS A 117 -18.038 -0.535 -8.824 1.00 3.47 N ATOM 0 H LYS A 117 -16.947 2.286 -4.939 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.367 2.544 -7.863 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.101 2.766 -5.485 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.218 4.152 -6.551 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -20.899 2.485 -7.149 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -19.746 2.670 -8.456 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -18.692 0.643 -6.748 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -20.401 0.295 -6.922 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -20.138 -0.394 -9.054 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -19.261 1.059 -9.491 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -17.806 -0.747 -9.815 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -17.268 0.020 -8.399 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -18.154 -1.424 -8.298 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.853 5.082 -7.940 1.00 0.59 N ATOM 1609 CA PRO A 118 -16.274 6.433 -8.006 1.00 0.68 C ATOM 1610 C PRO A 118 -16.854 7.365 -6.941 1.00 0.70 C ATOM 1611 O PRO A 118 -16.211 8.327 -6.522 1.00 0.81 O ATOM 1612 CB PRO A 118 -16.661 6.925 -9.405 1.00 0.79 C ATOM 1613 CG PRO A 118 -16.952 5.698 -10.192 1.00 0.96 C ATOM 1614 CD PRO A 118 -17.485 4.691 -9.213 1.00 0.68 C ATOM 0 HA PRO A 118 -15.199 6.420 -7.826 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -17.531 7.580 -9.364 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -15.852 7.498 -9.857 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -17.681 5.902 -10.977 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -16.052 5.327 -10.682 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -18.572 4.729 -9.150 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -17.218 3.673 -9.498 1.00 0.68 H new ATOM 1622 N THR A 119 -18.071 7.071 -6.509 1.00 0.67 N ATOM 1623 CA THR A 119 -18.745 7.870 -5.499 1.00 0.77 C ATOM 1624 C THR A 119 -18.664 7.210 -4.123 1.00 0.69 C ATOM 1625 O THR A 119 -19.407 7.565 -3.206 1.00 0.78 O ATOM 1626 CB THR A 119 -20.223 8.068 -5.881 1.00 0.97 C ATOM 1627 OG1 THR A 119 -20.471 7.457 -7.158 1.00 0.98 O ATOM 1628 CG2 THR A 119 -20.578 9.546 -5.940 1.00 1.23 C ATOM 0 H THR A 119 -18.615 6.277 -6.846 1.00 0.67 H new ATOM 0 HA THR A 119 -18.243 8.836 -5.451 1.00 0.77 H new ATOM 0 HB THR A 119 -20.845 7.599 -5.119 1.00 0.97 H new ATOM 0 HG1 THR A 119 -21.412 7.580 -7.402 1.00 0.98 H new ATOM 0 HG21 THR A 119 -21.628 9.658 -6.212 1.00 1.23 H new ATOM 0 HG22 THR A 119 -20.406 10.001 -4.965 1.00 1.23 H new ATOM 0 HG23 THR A 119 -19.955 10.040 -6.686 1.00 1.23 H new ATOM 1636 N ASP A 120 -17.753 6.253 -3.985 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.609 5.510 -2.740 1.00 0.59 C ATOM 1638 C ASP A 120 -16.891 6.340 -1.692 1.00 0.47 C ATOM 1639 O ASP A 120 -16.170 7.287 -2.015 1.00 0.39 O ATOM 1640 CB ASP A 120 -16.843 4.206 -2.970 1.00 0.63 C ATOM 1641 CG ASP A 120 -17.219 3.131 -1.972 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -16.813 3.240 -0.796 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -17.931 2.182 -2.363 1.00 1.19 O ATOM 0 H ASP A 120 -17.104 5.974 -4.720 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.611 5.276 -2.380 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -17.040 3.845 -3.980 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -15.772 4.400 -2.904 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.071 5.952 -0.442 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.471 6.652 0.683 1.00 0.51 C ATOM 1650 C ASP A 121 -14.967 6.443 0.683 1.00 0.39 C ATOM 1651 O ASP A 121 -14.190 7.392 0.793 1.00 0.39 O ATOM 1652 CB ASP A 121 -17.053 6.140 2.003 1.00 0.70 C ATOM 1653 CG ASP A 121 -18.325 6.859 2.405 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -18.923 7.551 1.557 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -18.744 6.723 3.571 1.00 1.44 O ATOM 0 H ASP A 121 -17.636 5.145 -0.177 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.691 7.715 0.584 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -17.257 5.073 1.915 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.310 6.258 2.792 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.567 5.187 0.526 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.161 4.820 0.547 1.00 0.27 C ATOM 1662 C ILE A 122 -12.439 5.377 -0.682 1.00 0.25 C ATOM 1663 O ILE A 122 -11.255 5.710 -0.625 1.00 0.29 O ATOM 1664 CB ILE A 122 -12.986 3.281 0.634 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.502 2.906 0.687 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -13.680 2.582 -0.528 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -10.940 2.874 2.090 1.00 0.42 C ATOM 0 H ILE A 122 -15.203 4.403 0.382 1.00 0.34 H new ATOM 0 HA ILE A 122 -12.713 5.259 1.438 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.457 2.942 1.557 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.366 1.927 0.227 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -10.933 3.620 0.092 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -13.540 1.505 -0.440 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -14.745 2.813 -0.508 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.252 2.928 -1.469 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -9.885 2.602 2.053 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -11.045 3.858 2.546 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.484 2.139 2.683 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.169 5.504 -1.784 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.613 6.071 -3.004 1.00 0.25 C ATOM 1681 C VAL A 123 -12.406 7.571 -2.839 1.00 0.24 C ATOM 1682 O VAL A 123 -11.383 8.118 -3.258 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.523 5.798 -4.223 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.510 6.970 -5.198 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.096 4.517 -4.919 1.00 0.32 C ATOM 0 H VAL A 123 -14.147 5.222 -1.857 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.652 5.589 -3.185 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.545 5.679 -3.864 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -14.160 6.747 -6.044 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.867 7.867 -4.693 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.493 7.135 -5.555 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -13.744 4.335 -5.776 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.065 4.614 -5.258 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.172 3.682 -4.223 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.376 8.226 -2.212 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.303 9.660 -1.982 1.00 0.31 C ATOM 1697 C LEU A 124 -12.093 9.989 -1.121 1.00 0.29 C ATOM 1698 O LEU A 124 -11.474 11.042 -1.268 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.579 10.159 -1.307 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.472 11.038 -2.182 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.904 11.018 -1.673 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.941 12.461 -2.217 1.00 0.49 C ATOM 0 H LEU A 124 -14.223 7.784 -1.854 1.00 0.27 H new ATOM 0 HA LEU A 124 -13.201 10.162 -2.944 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -15.157 9.297 -0.975 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -14.304 10.721 -0.415 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.462 10.639 -3.196 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.525 11.649 -2.308 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -17.284 9.996 -1.695 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.932 11.394 -0.650 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.587 13.075 -2.844 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.923 12.868 -1.206 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.931 12.462 -2.626 1.00 0.49 H new ATOM 1714 N MET A 125 -11.755 9.065 -0.234 1.00 0.25 N ATOM 1715 CA MET A 125 -10.593 9.224 0.620 1.00 0.26 C ATOM 1716 C MET A 125 -9.312 8.976 -0.168 1.00 0.24 C ATOM 1717 O MET A 125 -8.318 9.684 0.007 1.00 0.25 O ATOM 1718 CB MET A 125 -10.673 8.277 1.821 1.00 0.35 C ATOM 1719 CG MET A 125 -11.826 8.587 2.759 1.00 0.62 C ATOM 1720 SD MET A 125 -12.261 7.195 3.817 1.00 0.54 S ATOM 1721 CE MET A 125 -13.172 8.042 5.104 1.00 0.62 C ATOM 0 H MET A 125 -12.271 8.197 -0.089 1.00 0.25 H new ATOM 0 HA MET A 125 -10.578 10.249 0.990 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.773 7.253 1.461 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.737 8.329 2.378 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.562 9.442 3.382 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.697 8.877 2.172 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.514 7.319 5.844 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.525 8.775 5.585 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.033 8.549 4.667 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.350 7.984 -1.054 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.190 7.616 -1.862 1.00 0.27 C ATOM 1733 C ALA A 126 -7.705 8.781 -2.724 1.00 0.25 C ATOM 1734 O ALA A 126 -6.522 8.865 -3.058 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.516 6.417 -2.739 1.00 0.31 C ATOM 0 H ALA A 126 -10.179 7.416 -1.232 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.384 7.353 -1.177 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.642 6.154 -3.335 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.794 5.571 -2.110 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.346 6.665 -3.401 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.620 9.676 -3.083 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.283 10.845 -3.894 1.00 0.30 C ATOM 1743 C GLN A 127 -7.336 11.780 -3.148 1.00 0.28 C ATOM 1744 O GLN A 127 -6.355 12.269 -3.713 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.551 11.599 -4.295 1.00 0.38 C ATOM 1746 CG GLN A 127 -9.838 11.552 -5.785 1.00 0.86 C ATOM 1747 CD GLN A 127 -11.299 11.301 -6.080 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -12.092 12.236 -6.185 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -11.667 10.039 -6.216 1.00 1.62 N ATOM 0 H GLN A 127 -9.605 9.615 -2.825 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.778 10.492 -4.793 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.400 11.178 -3.756 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.459 12.639 -3.983 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -9.534 12.494 -6.241 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -9.237 10.767 -6.244 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -10.977 9.294 -6.121 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -12.641 9.810 -6.416 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.634 12.027 -1.880 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.797 12.890 -1.055 1.00 0.28 C ATOM 1760 C ALA A 128 -5.539 12.150 -0.617 1.00 0.24 C ATOM 1761 O ALA A 128 -4.453 12.727 -0.546 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.572 13.382 0.159 1.00 0.32 C ATOM 0 H ALA A 128 -8.448 11.643 -1.400 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.502 13.754 -1.650 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -6.932 14.025 0.763 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.445 13.946 -0.170 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -7.895 12.528 0.755 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.704 10.863 -0.341 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.604 10.004 0.091 1.00 0.17 C ATOM 1770 C LEU A 129 -3.496 9.963 -0.958 1.00 0.17 C ATOM 1771 O LEU A 129 -2.310 10.060 -0.637 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.128 8.586 0.336 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.597 8.262 1.765 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.214 9.479 2.436 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.589 7.114 1.737 1.00 0.33 C ATOM 0 H LEU A 129 -6.602 10.384 -0.409 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.190 10.413 1.013 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.961 8.408 -0.344 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.341 7.881 0.068 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.725 7.968 2.350 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.535 9.215 3.444 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.476 10.279 2.488 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.075 9.816 1.858 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.916 6.891 2.753 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.451 7.393 1.131 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -6.113 6.232 1.307 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.895 9.839 -2.219 1.00 0.19 N ATOM 1788 CA GLU A 130 -2.946 9.695 -3.315 1.00 0.22 C ATOM 1789 C GLU A 130 -2.105 10.953 -3.501 1.00 0.20 C ATOM 1790 O GLU A 130 -0.989 10.886 -4.019 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.683 9.371 -4.609 1.00 0.34 C ATOM 1792 CG GLU A 130 -2.880 8.516 -5.574 1.00 0.76 C ATOM 1793 CD GLU A 130 -3.074 8.934 -7.016 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -4.222 9.239 -7.402 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -2.081 8.964 -7.771 1.00 1.47 O ATOM 0 H GLU A 130 -4.873 9.835 -2.507 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.274 8.875 -3.063 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.612 8.855 -4.368 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -3.956 10.303 -5.104 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -1.822 8.581 -5.319 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -3.172 7.472 -5.459 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.632 12.088 -3.064 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.934 13.352 -3.211 1.00 0.28 C ATOM 1804 C LYS A 131 -0.659 13.334 -2.385 1.00 0.25 C ATOM 1805 O LYS A 131 0.392 13.774 -2.840 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.829 14.515 -2.781 1.00 0.37 C ATOM 1807 CG LYS A 131 -2.472 15.835 -3.443 1.00 0.80 C ATOM 1808 CD LYS A 131 -3.189 17.002 -2.788 1.00 1.18 C ATOM 1809 CE LYS A 131 -4.537 17.263 -3.438 1.00 1.56 C ATOM 1810 NZ LYS A 131 -5.318 18.293 -2.704 1.00 2.24 N ATOM 0 H LYS A 131 -3.540 12.157 -2.605 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.677 13.491 -4.261 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.865 14.270 -3.014 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.764 14.632 -1.699 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -1.395 15.991 -3.386 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -2.733 15.794 -4.501 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -3.329 16.795 -1.727 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -2.570 17.897 -2.859 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -4.386 17.587 -4.468 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -5.107 16.335 -3.476 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -6.231 18.441 -3.180 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -5.484 17.973 -1.729 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -4.786 19.187 -2.689 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.757 12.789 -1.178 1.00 0.28 N ATOM 1825 CA ILE A 132 0.397 12.668 -0.299 1.00 0.33 C ATOM 1826 C ILE A 132 1.376 11.639 -0.850 1.00 0.26 C ATOM 1827 O ILE A 132 2.592 11.791 -0.722 1.00 0.29 O ATOM 1828 CB ILE A 132 -0.006 12.251 1.130 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.338 12.889 1.528 1.00 0.46 C ATOM 1830 CG2 ILE A 132 1.084 12.633 2.120 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.966 12.250 2.743 1.00 0.59 C ATOM 0 H ILE A 132 -1.625 12.424 -0.787 1.00 0.28 H new ATOM 0 HA ILE A 132 0.866 13.651 -0.255 1.00 0.33 H new ATOM 0 HB ILE A 132 -0.129 11.168 1.148 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -1.181 13.950 1.724 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -2.031 12.819 0.690 1.00 0.46 H new ATOM 0 HG21 ILE A 132 0.785 12.332 3.124 1.00 1.23 H new ATOM 0 HG22 ILE A 132 2.012 12.129 1.851 1.00 1.23 H new ATOM 0 HG23 ILE A 132 1.237 13.712 2.095 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.908 12.750 2.971 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -2.154 11.195 2.543 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -1.290 12.343 3.593 1.00 0.59 H new ATOM 1843 N PHE A 133 0.829 10.600 -1.472 1.00 0.25 N ATOM 1844 CA PHE A 133 1.636 9.544 -2.064 1.00 0.28 C ATOM 1845 C PHE A 133 2.588 10.116 -3.109 1.00 0.26 C ATOM 1846 O PHE A 133 3.803 10.052 -2.943 1.00 0.28 O ATOM 1847 CB PHE A 133 0.739 8.476 -2.694 1.00 0.34 C ATOM 1848 CG PHE A 133 1.499 7.457 -3.486 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.514 6.722 -2.892 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.215 7.246 -4.825 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.229 5.798 -3.621 1.00 0.39 C ATOM 1852 CE2 PHE A 133 1.925 6.318 -5.557 1.00 0.46 C ATOM 1853 CZ PHE A 133 2.936 5.595 -4.953 1.00 0.44 C ATOM 0 H PHE A 133 -0.177 10.468 -1.579 1.00 0.25 H new ATOM 0 HA PHE A 133 2.228 9.082 -1.274 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.179 7.971 -1.907 1.00 0.34 H new ATOM 0 HB3 PHE A 133 0.010 8.961 -3.343 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.746 6.876 -1.848 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.429 7.814 -5.301 1.00 0.42 H new ATOM 0 HE1 PHE A 133 4.019 5.232 -3.150 1.00 0.39 H new ATOM 0 HE2 PHE A 133 1.692 6.157 -6.599 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.497 4.870 -5.525 1.00 0.44 H new ATOM 1863 N LEU A 134 2.036 10.715 -4.159 1.00 0.27 N ATOM 1864 CA LEU A 134 2.860 11.253 -5.239 1.00 0.34 C ATOM 1865 C LEU A 134 3.741 12.386 -4.722 1.00 0.34 C ATOM 1866 O LEU A 134 4.848 12.601 -5.214 1.00 0.43 O ATOM 1867 CB LEU A 134 1.987 11.739 -6.406 1.00 0.42 C ATOM 1868 CG LEU A 134 0.960 12.825 -6.064 1.00 0.47 C ATOM 1869 CD1 LEU A 134 1.441 14.191 -6.534 1.00 0.64 C ATOM 1870 CD2 LEU A 134 -0.390 12.496 -6.684 1.00 0.59 C ATOM 0 H LEU A 134 1.032 10.840 -4.286 1.00 0.27 H new ATOM 0 HA LEU A 134 3.502 10.453 -5.608 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.641 12.118 -7.191 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.457 10.881 -6.820 1.00 0.42 H new ATOM 0 HG LEU A 134 0.846 12.857 -4.980 1.00 0.47 H new ATOM 0 HD11 LEU A 134 0.697 14.946 -6.281 1.00 0.64 H new ATOM 0 HD12 LEU A 134 2.384 14.433 -6.044 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.587 14.174 -7.614 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -1.107 13.277 -6.431 1.00 0.59 H new ATOM 0 HD22 LEU A 134 -0.288 12.435 -7.767 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.744 11.540 -6.298 1.00 0.59 H new ATOM 1882 N GLN A 135 3.240 13.085 -3.712 1.00 0.29 N ATOM 1883 CA GLN A 135 3.960 14.185 -3.084 1.00 0.35 C ATOM 1884 C GLN A 135 5.277 13.708 -2.484 1.00 0.36 C ATOM 1885 O GLN A 135 6.337 14.276 -2.739 1.00 0.55 O ATOM 1886 CB GLN A 135 3.089 14.788 -1.986 1.00 0.37 C ATOM 1887 CG GLN A 135 2.718 16.241 -2.218 1.00 0.51 C ATOM 1888 CD GLN A 135 2.590 17.010 -0.921 1.00 1.06 C ATOM 1889 OE1 GLN A 135 3.171 16.630 0.099 1.00 1.43 O ATOM 1890 NE2 GLN A 135 1.824 18.088 -0.942 1.00 1.61 N ATOM 0 H GLN A 135 2.322 12.905 -3.305 1.00 0.29 H new ATOM 0 HA GLN A 135 4.184 14.934 -3.844 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.175 14.200 -1.898 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.614 14.706 -1.034 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.475 16.712 -2.845 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.776 16.291 -2.763 1.00 0.51 H new ATOM 0 HE21 GLN A 135 1.361 18.368 -1.807 1.00 1.61 H new ATOM 0 HE22 GLN A 135 1.696 18.639 -0.093 1.00 1.61 H new ATOM 1899 N LYS A 136 5.199 12.649 -1.692 1.00 0.25 N ATOM 1900 CA LYS A 136 6.359 12.125 -0.992 1.00 0.26 C ATOM 1901 C LYS A 136 7.250 11.318 -1.934 1.00 0.23 C ATOM 1902 O LYS A 136 8.447 11.165 -1.698 1.00 0.25 O ATOM 1903 CB LYS A 136 5.904 11.261 0.184 1.00 0.32 C ATOM 1904 CG LYS A 136 5.967 11.974 1.527 1.00 0.54 C ATOM 1905 CD LYS A 136 4.981 13.130 1.608 1.00 0.50 C ATOM 1906 CE LYS A 136 5.673 14.402 2.070 1.00 0.63 C ATOM 1907 NZ LYS A 136 4.772 15.587 2.046 1.00 1.52 N ATOM 0 H LYS A 136 4.336 12.133 -1.518 1.00 0.25 H new ATOM 0 HA LYS A 136 6.945 12.963 -0.615 1.00 0.26 H new ATOM 0 HB2 LYS A 136 4.881 10.930 0.006 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.525 10.366 0.228 1.00 0.32 H new ATOM 0 HG2 LYS A 136 5.757 11.262 2.325 1.00 0.54 H new ATOM 0 HG3 LYS A 136 6.978 12.348 1.691 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.525 13.293 0.631 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.175 12.878 2.298 1.00 0.50 H new ATOM 0 HE2 LYS A 136 6.051 14.258 3.082 1.00 0.63 H new ATOM 0 HE3 LYS A 136 6.536 14.594 1.432 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 5.324 16.447 2.238 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 4.325 15.664 1.110 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 4.036 15.478 2.773 1.00 1.52 H new ATOM 1921 N VAL A 137 6.657 10.820 -3.012 1.00 0.23 N ATOM 1922 CA VAL A 137 7.382 10.022 -3.989 1.00 0.25 C ATOM 1923 C VAL A 137 8.212 10.917 -4.901 1.00 0.30 C ATOM 1924 O VAL A 137 9.315 10.553 -5.309 1.00 0.33 O ATOM 1925 CB VAL A 137 6.414 9.159 -4.830 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.113 8.549 -6.035 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.806 8.070 -3.967 1.00 0.33 C ATOM 0 H VAL A 137 5.670 10.957 -3.231 1.00 0.23 H new ATOM 0 HA VAL A 137 8.051 9.355 -3.445 1.00 0.25 H new ATOM 0 HB VAL A 137 5.621 9.808 -5.201 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.402 7.949 -6.603 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.505 9.344 -6.669 1.00 0.35 H new ATOM 0 HG13 VAL A 137 7.934 7.916 -5.698 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.125 7.467 -4.568 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.598 7.436 -3.570 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.257 8.524 -3.142 1.00 0.33 H new ATOM 1937 N ALA A 138 7.695 12.107 -5.181 1.00 0.34 N ATOM 1938 CA ALA A 138 8.394 13.066 -6.023 1.00 0.43 C ATOM 1939 C ALA A 138 9.655 13.563 -5.335 1.00 0.43 C ATOM 1940 O ALA A 138 10.520 14.178 -5.959 1.00 0.50 O ATOM 1941 CB ALA A 138 7.485 14.235 -6.361 1.00 0.50 C ATOM 0 H ALA A 138 6.791 12.430 -4.835 1.00 0.34 H new ATOM 0 HA ALA A 138 8.679 12.565 -6.948 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.023 14.943 -6.991 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.606 13.871 -6.893 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.173 14.731 -5.442 1.00 0.50 H new ATOM 1947 N GLN A 139 9.754 13.281 -4.044 1.00 0.39 N ATOM 1948 CA GLN A 139 10.900 13.695 -3.256 1.00 0.43 C ATOM 1949 C GLN A 139 11.798 12.502 -2.933 1.00 0.40 C ATOM 1950 O GLN A 139 12.775 12.629 -2.194 1.00 0.45 O ATOM 1951 CB GLN A 139 10.441 14.376 -1.967 1.00 0.45 C ATOM 1952 CG GLN A 139 9.392 15.455 -2.192 1.00 0.54 C ATOM 1953 CD GLN A 139 9.806 16.798 -1.627 1.00 1.08 C ATOM 1954 OE1 GLN A 139 9.458 17.141 -0.498 1.00 1.76 O ATOM 1955 NE2 GLN A 139 10.552 17.565 -2.406 1.00 1.56 N ATOM 0 H GLN A 139 9.048 12.764 -3.520 1.00 0.39 H new ATOM 0 HA GLN A 139 11.477 14.408 -3.844 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.037 13.622 -1.291 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.305 14.818 -1.471 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.205 15.557 -3.261 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.453 15.145 -1.732 1.00 0.54 H new ATOM 0 HE21 GLN A 139 10.818 17.242 -3.336 1.00 1.56 H new ATOM 0 HE22 GLN A 139 10.861 18.479 -2.076 1.00 1.56 H new ATOM 1964 N MET A 140 11.451 11.339 -3.477 1.00 0.35 N ATOM 1965 CA MET A 140 12.265 10.138 -3.299 1.00 0.35 C ATOM 1966 C MET A 140 13.615 10.299 -3.994 1.00 0.40 C ATOM 1967 O MET A 140 13.689 10.901 -5.068 1.00 0.48 O ATOM 1968 CB MET A 140 11.542 8.913 -3.864 1.00 0.38 C ATOM 1969 CG MET A 140 10.552 8.288 -2.897 1.00 0.66 C ATOM 1970 SD MET A 140 11.040 6.633 -2.383 1.00 0.86 S ATOM 1971 CE MET A 140 10.557 5.692 -3.828 1.00 0.67 C ATOM 0 H MET A 140 10.614 11.202 -4.044 1.00 0.35 H new ATOM 0 HA MET A 140 12.429 9.995 -2.231 1.00 0.35 H new ATOM 0 HB2 MET A 140 11.015 9.201 -4.774 1.00 0.38 H new ATOM 0 HB3 MET A 140 12.282 8.164 -4.147 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.457 8.925 -2.017 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.569 8.244 -3.366 1.00 0.66 H new ATOM 0 HE1 MET A 140 9.709 5.054 -3.580 1.00 0.67 H new ATOM 0 HE2 MET A 140 10.275 6.375 -4.629 1.00 0.67 H new ATOM 0 HE3 MET A 140 11.393 5.074 -4.155 1.00 0.67 H new ATOM 1981 N PRO A 141 14.700 9.770 -3.396 1.00 0.42 N ATOM 1982 CA PRO A 141 16.042 9.868 -3.980 1.00 0.52 C ATOM 1983 C PRO A 141 16.122 9.127 -5.309 1.00 0.61 C ATOM 1984 O PRO A 141 16.017 7.898 -5.355 1.00 0.67 O ATOM 1985 CB PRO A 141 16.947 9.211 -2.933 1.00 0.55 C ATOM 1986 CG PRO A 141 16.051 8.352 -2.115 1.00 0.53 C ATOM 1987 CD PRO A 141 14.704 9.028 -2.121 1.00 0.46 C ATOM 0 HA PRO A 141 16.327 10.897 -4.199 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.731 8.621 -3.407 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.442 9.961 -2.316 1.00 0.55 H new ATOM 0 HG2 PRO A 141 15.985 7.348 -2.534 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.431 8.249 -1.099 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.891 8.304 -2.075 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.585 9.695 -1.267 1.00 0.46 H new ATOM 1995 N GLN A 142 16.327 9.876 -6.386 1.00 0.76 N ATOM 1996 CA GLN A 142 16.283 9.319 -7.737 1.00 0.94 C ATOM 1997 C GLN A 142 17.580 8.593 -8.089 1.00 0.93 C ATOM 1998 O GLN A 142 17.947 8.480 -9.258 1.00 1.17 O ATOM 1999 CB GLN A 142 16.002 10.422 -8.758 1.00 1.21 C ATOM 2000 CG GLN A 142 14.904 11.376 -8.320 1.00 1.60 C ATOM 2001 CD GLN A 142 13.527 10.949 -8.785 1.00 2.34 C ATOM 2002 OE1 GLN A 142 13.267 10.822 -9.981 1.00 2.87 O ATOM 2003 NE2 GLN A 142 12.627 10.727 -7.837 1.00 2.91 N ATOM 0 H GLN A 142 16.526 10.876 -6.352 1.00 0.76 H new ATOM 0 HA GLN A 142 15.474 8.589 -7.767 1.00 0.94 H new ATOM 0 HB2 GLN A 142 16.917 10.987 -8.934 1.00 1.21 H new ATOM 0 HB3 GLN A 142 15.721 9.966 -9.708 1.00 1.21 H new ATOM 0 HG2 GLN A 142 14.907 11.450 -7.233 1.00 1.60 H new ATOM 0 HG3 GLN A 142 15.120 12.372 -8.708 1.00 1.60 H new ATOM 0 HE21 GLN A 142 12.881 10.843 -6.856 1.00 2.91 H new ATOM 0 HE22 GLN A 142 11.681 10.440 -8.089 1.00 2.91 H new ATOM 2012 N GLU A 143 18.265 8.106 -7.069 1.00 0.80 N ATOM 2013 CA GLU A 143 19.522 7.419 -7.239 1.00 0.91 C ATOM 2014 C GLU A 143 19.421 5.978 -6.750 1.00 0.87 C ATOM 2015 O GLU A 143 19.953 5.059 -7.374 1.00 1.20 O ATOM 2016 CB GLU A 143 20.582 8.158 -6.438 1.00 1.04 C ATOM 2017 CG GLU A 143 20.445 9.669 -6.510 1.00 1.22 C ATOM 2018 CD GLU A 143 20.186 10.291 -5.154 1.00 1.94 C ATOM 2019 OE1 GLU A 143 21.032 10.136 -4.252 1.00 2.30 O ATOM 2020 OE2 GLU A 143 19.126 10.927 -4.981 1.00 2.70 O ATOM 0 H GLU A 143 17.959 8.179 -6.099 1.00 0.80 H new ATOM 0 HA GLU A 143 19.785 7.400 -8.297 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.524 7.844 -5.396 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.568 7.872 -6.803 1.00 1.04 H new ATOM 0 HG2 GLU A 143 21.355 10.094 -6.934 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.629 9.925 -7.186 1.00 1.22 H new ATOM 2027 N GLU A 144 18.720 5.810 -5.628 1.00 0.77 N ATOM 2028 CA GLU A 144 18.606 4.522 -4.944 1.00 0.77 C ATOM 2029 C GLU A 144 19.977 4.058 -4.455 1.00 0.82 C ATOM 2030 O GLU A 144 20.738 3.419 -5.187 1.00 1.16 O ATOM 2031 CB GLU A 144 17.963 3.451 -5.839 1.00 0.82 C ATOM 2032 CG GLU A 144 17.109 2.444 -5.078 1.00 1.04 C ATOM 2033 CD GLU A 144 17.709 2.064 -3.742 1.00 1.58 C ATOM 2034 OE1 GLU A 144 18.520 1.122 -3.706 1.00 1.87 O ATOM 2035 OE2 GLU A 144 17.381 2.716 -2.724 1.00 2.34 O ATOM 0 H GLU A 144 18.214 6.566 -5.167 1.00 0.77 H new ATOM 0 HA GLU A 144 17.950 4.663 -4.085 1.00 0.77 H new ATOM 0 HB2 GLU A 144 17.345 3.942 -6.591 1.00 0.82 H new ATOM 0 HB3 GLU A 144 18.749 2.917 -6.372 1.00 0.82 H new ATOM 0 HG2 GLU A 144 16.115 2.862 -4.920 1.00 1.04 H new ATOM 0 HG3 GLU A 144 16.985 1.547 -5.685 1.00 1.04 H new ATOM 2042 N VAL A 145 20.277 4.383 -3.213 1.00 0.63 N ATOM 2043 CA VAL A 145 21.557 4.041 -2.621 1.00 0.68 C ATOM 2044 C VAL A 145 21.360 3.018 -1.514 1.00 0.61 C ATOM 2045 O VAL A 145 20.683 3.288 -0.524 1.00 0.61 O ATOM 2046 CB VAL A 145 22.271 5.282 -2.038 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.779 5.094 -2.068 1.00 0.99 C ATOM 2048 CG2 VAL A 145 21.873 6.545 -2.793 1.00 0.88 C ATOM 0 H VAL A 145 19.647 4.887 -2.589 1.00 0.63 H new ATOM 0 HA VAL A 145 22.181 3.626 -3.413 1.00 0.68 H new ATOM 0 HB VAL A 145 21.958 5.396 -1.000 1.00 0.78 H new ATOM 0 HG11 VAL A 145 24.264 5.978 -1.654 1.00 0.99 H new ATOM 0 HG12 VAL A 145 24.049 4.220 -1.475 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.107 4.949 -3.097 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.389 7.404 -2.363 1.00 0.88 H new ATOM 0 HG22 VAL A 145 22.149 6.444 -3.843 1.00 0.88 H new ATOM 0 HG23 VAL A 145 20.796 6.692 -2.714 1.00 0.88 H new ATOM 2058 N GLU A 146 21.925 1.835 -1.693 1.00 0.66 N ATOM 2059 CA GLU A 146 21.827 0.792 -0.686 1.00 0.68 C ATOM 2060 C GLU A 146 22.545 1.215 0.587 1.00 0.72 C ATOM 2061 O GLU A 146 23.677 1.703 0.539 1.00 0.75 O ATOM 2062 CB GLU A 146 22.424 -0.509 -1.202 1.00 0.79 C ATOM 2063 CG GLU A 146 21.752 -1.746 -0.639 1.00 1.00 C ATOM 2064 CD GLU A 146 22.458 -3.014 -1.056 1.00 1.10 C ATOM 2065 OE1 GLU A 146 23.692 -3.101 -0.877 1.00 1.53 O ATOM 2066 OE2 GLU A 146 21.789 -3.940 -1.557 1.00 1.24 O ATOM 0 H GLU A 146 22.455 1.574 -2.524 1.00 0.66 H new ATOM 0 HA GLU A 146 20.772 0.633 -0.465 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.350 -0.528 -2.289 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.485 -0.537 -0.954 1.00 0.79 H new ATOM 0 HG2 GLU A 146 21.732 -1.684 0.449 1.00 1.00 H new ATOM 0 HG3 GLU A 146 20.716 -1.781 -0.976 1.00 1.00 H new ATOM 2073 N LEU A 147 21.890 1.028 1.724 1.00 0.76 N ATOM 2074 CA LEU A 147 22.462 1.439 2.992 1.00 0.86 C ATOM 2075 C LEU A 147 23.344 0.338 3.556 1.00 1.01 C ATOM 2076 O LEU A 147 22.831 -0.769 3.809 1.00 1.57 O ATOM 2077 CB LEU A 147 21.367 1.805 3.996 1.00 0.86 C ATOM 2078 CG LEU A 147 20.363 2.852 3.512 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.084 2.773 4.328 1.00 0.80 C ATOM 2080 CD2 LEU A 147 20.964 4.247 3.592 1.00 0.82 C ATOM 2081 OXT LEU A 147 24.556 0.576 3.727 1.00 1.46 O ATOM 0 H LEU A 147 20.968 0.597 1.792 1.00 0.76 H new ATOM 0 HA LEU A 147 23.072 2.325 2.815 1.00 0.86 H new ATOM 0 HB2 LEU A 147 20.823 0.899 4.262 1.00 0.86 H new ATOM 0 HB3 LEU A 147 21.840 2.172 4.907 1.00 0.86 H new ATOM 0 HG LEU A 147 20.122 2.644 2.470 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.379 3.524 3.972 1.00 0.80 H new ATOM 0 HD12 LEU A 147 18.644 1.782 4.220 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.311 2.957 5.378 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.234 4.978 3.243 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.234 4.468 4.625 1.00 0.82 H new ATOM 0 HD23 LEU A 147 21.855 4.296 2.965 1.00 0.82 H new