USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1013 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 118 TYR OH : rot 180:sc= 0.978 USER MOD Set 1.2: A 121 LYS NZ :NH3+ 147:sc= 1.48 (180deg=0) USER MOD Set 2.1: A 109 SER OG : rot 180:sc= 1.02 USER MOD Set 2.2: A 111 LYS NZ :NH3+ 138:sc= 1.16 (180deg=0) USER MOD Set 3.1: A 105 LYS NZ :NH3+ -120:sc= 0.00622 (180deg=-0.12) USER MOD Set 3.2: A 120 GLN : amide:sc= -3.86! C(o=-3.9!,f=-4.4!) USER MOD Set 4.1: A 5 LYS NZ :NH3+ -150:sc= -2.15 (180deg=-2.6!) USER MOD Set 4.2: A 90 TYR OH : rot 48:sc= 0.786 USER MOD Set 5.1: A 38 GLN :FLIP amide:sc= -0.226 F(o=-1.1,f=-0.23) USER MOD Set 5.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 36 GLN :FLIP amide:sc= -8.47! C(o=-8.3!,f=-7.2!) USER MOD Set 6.2: A 54 THR OG1 : rot 173:sc= 1.22 USER MOD Set 7.1: A 11 ASN : amide:sc= 0.556 K(o=-5.7,f=-7) USER MOD Set 7.2: A 14 HIS : no HE2:sc= -3.5! C(o=-5.7!,f=-9!) USER MOD Set 7.3: A 107 ASN : amide:sc= -2.75! C(o=-5.7!,f=-11!) USER MOD Set 8.1: A 10 SER OG : rot -104:sc= 0.571 USER MOD Set 8.2: A 106 LYS NZ :NH3+ 162:sc= -5.21! (180deg=-5.71!) USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= -0.0843 (180deg=-0.439) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 44:sc= -0.751! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 22:sc= 0.0029 USER MOD Single : A 31 SER OG : rot 17:sc= 1.11 USER MOD Single : A 33 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -151:sc= 0.699 USER MOD Single : A 51 SER OG : rot 24:sc= -0.106 USER MOD Single : A 52 THR OG1 : rot 95:sc=-0.00814 USER MOD Single : A 56 GLN :FLIP amide:sc= -5.52! C(o=-10!,f=-5.5!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 152:sc= 0 (180deg=-0.606) USER MOD Single : A 62 THR OG1 : rot -4:sc= 1.09 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -81:sc= -2.88! USER MOD Single : A 70 GLN : amide:sc= 0.299 K(o=0.3,f=-0.68) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.346 F(o=-2.1!,f=-0.35) USER MOD Single : A 76 CYS SG : rot -97:sc= 1.29 USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.521 F(o=-3.3!,f=-0.52) USER MOD Single : A 89 THR OG1 : rot -58:sc= 0.118 USER MOD Single : A 92 SER OG : rot 119:sc= 0.112 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 160:sc= -0.0274 (180deg=-0.568) USER MOD Single : A 95 HIS : no HD1:sc= -0.192 K(o=-0.19,f=-1.2) USER MOD Single : A 98 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.14) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 CYS SG : rot 180:sc= -11.5! USER MOD Single : A 116 THR OG1 : rot -86:sc= 1.3 USER MOD Single : A 117 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 3 11.306 -5.102 9.260 1.00 0.93 N ATOM 47 CA LYS A 3 11.623 -3.692 9.145 1.00 0.96 C ATOM 48 C LYS A 3 10.537 -3.045 8.304 1.00 0.78 C ATOM 49 O LYS A 3 9.513 -3.688 8.057 1.00 1.17 O ATOM 50 CB LYS A 3 12.999 -3.505 8.484 1.00 1.91 C ATOM 51 CG LYS A 3 14.182 -3.610 9.431 1.00 2.62 C ATOM 52 CD LYS A 3 15.484 -3.326 8.704 1.00 3.43 C ATOM 53 CE LYS A 3 16.664 -3.258 9.658 1.00 4.25 C ATOM 54 NZ LYS A 3 16.488 -2.202 10.689 1.00 4.81 N ATOM 0 HA LYS A 3 11.666 -3.229 10.131 1.00 0.96 H new ATOM 0 HB2 LYS A 3 13.113 -4.252 7.699 1.00 1.91 H new ATOM 0 HB3 LYS A 3 13.024 -2.528 8.001 1.00 1.91 H new ATOM 0 HG2 LYS A 3 14.059 -2.905 10.253 1.00 2.62 H new ATOM 0 HG3 LYS A 3 14.215 -4.608 9.869 1.00 2.62 H new ATOM 0 HD2 LYS A 3 15.662 -4.104 7.962 1.00 3.43 H new ATOM 0 HD3 LYS A 3 15.400 -2.383 8.164 1.00 3.43 H new ATOM 0 HE2 LYS A 3 16.791 -4.224 10.147 1.00 4.25 H new ATOM 0 HE3 LYS A 3 17.576 -3.064 9.093 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 17.411 -1.966 11.105 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 16.079 -1.353 10.250 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 15.850 -2.547 11.434 1.00 4.81 H new ATOM 68 N PRO A 4 10.708 -1.777 7.884 1.00 0.45 N ATOM 69 CA PRO A 4 9.901 -1.187 6.833 1.00 0.41 C ATOM 70 C PRO A 4 9.538 -2.194 5.738 1.00 0.39 C ATOM 71 O PRO A 4 10.388 -2.914 5.209 1.00 0.53 O ATOM 72 CB PRO A 4 10.802 -0.083 6.274 1.00 0.59 C ATOM 73 CG PRO A 4 11.895 0.134 7.282 1.00 0.72 C ATOM 74 CD PRO A 4 11.630 -0.784 8.444 1.00 0.80 C ATOM 0 HA PRO A 4 8.944 -0.825 7.208 1.00 0.41 H new ATOM 0 HB2 PRO A 4 11.217 -0.374 5.309 1.00 0.59 H new ATOM 0 HB3 PRO A 4 10.236 0.834 6.114 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.870 -0.077 6.842 1.00 0.72 H new ATOM 0 HG3 PRO A 4 11.912 1.173 7.611 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.547 -1.247 8.809 1.00 0.80 H new ATOM 0 HD3 PRO A 4 11.186 -0.251 9.285 1.00 0.80 H new ATOM 82 N LYS A 5 8.266 -2.232 5.432 1.00 0.38 N ATOM 83 CA LYS A 5 7.703 -3.157 4.472 1.00 0.38 C ATOM 84 C LYS A 5 7.649 -2.534 3.075 1.00 0.35 C ATOM 85 O LYS A 5 7.581 -1.316 2.921 1.00 0.40 O ATOM 86 CB LYS A 5 6.299 -3.549 4.947 1.00 0.44 C ATOM 87 CG LYS A 5 5.433 -4.225 3.898 1.00 1.16 C ATOM 88 CD LYS A 5 4.032 -4.468 4.424 1.00 1.64 C ATOM 89 CE LYS A 5 3.043 -4.710 3.298 1.00 2.57 C ATOM 90 NZ LYS A 5 1.665 -4.945 3.811 1.00 3.33 N ATOM 0 H LYS A 5 7.575 -1.609 5.850 1.00 0.38 H new ATOM 0 HA LYS A 5 8.333 -4.044 4.404 1.00 0.38 H new ATOM 0 HB2 LYS A 5 6.395 -4.217 5.803 1.00 0.44 H new ATOM 0 HB3 LYS A 5 5.787 -2.653 5.297 1.00 0.44 H new ATOM 0 HG2 LYS A 5 5.387 -3.603 3.004 1.00 1.16 H new ATOM 0 HG3 LYS A 5 5.884 -5.173 3.604 1.00 1.16 H new ATOM 0 HD2 LYS A 5 4.039 -5.328 5.093 1.00 1.64 H new ATOM 0 HD3 LYS A 5 3.710 -3.609 5.012 1.00 1.64 H new ATOM 0 HE2 LYS A 5 3.039 -3.851 2.627 1.00 2.57 H new ATOM 0 HE3 LYS A 5 3.364 -5.571 2.712 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 1.154 -5.573 3.158 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 1.715 -5.389 4.750 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 1.162 -4.038 3.883 1.00 3.33 H new ATOM 104 N LEU A 6 7.692 -3.391 2.069 1.00 0.35 N ATOM 105 CA LEU A 6 7.562 -2.985 0.678 1.00 0.37 C ATOM 106 C LEU A 6 6.132 -3.214 0.203 1.00 0.37 C ATOM 107 O LEU A 6 5.498 -4.220 0.550 1.00 0.46 O ATOM 108 CB LEU A 6 8.527 -3.787 -0.207 1.00 0.51 C ATOM 109 CG LEU A 6 8.220 -3.775 -1.710 1.00 0.64 C ATOM 110 CD1 LEU A 6 8.946 -2.640 -2.419 1.00 1.24 C ATOM 111 CD2 LEU A 6 8.573 -5.117 -2.329 1.00 1.49 C ATOM 0 H LEU A 6 7.819 -4.395 2.194 1.00 0.35 H new ATOM 0 HA LEU A 6 7.807 -1.926 0.602 1.00 0.37 H new ATOM 0 HB2 LEU A 6 9.535 -3.399 -0.058 1.00 0.51 H new ATOM 0 HB3 LEU A 6 8.530 -4.822 0.136 1.00 0.51 H new ATOM 0 HG LEU A 6 7.151 -3.604 -1.835 1.00 0.64 H new ATOM 0 HD11 LEU A 6 8.705 -2.662 -3.482 1.00 1.24 H new ATOM 0 HD12 LEU A 6 8.632 -1.686 -1.995 1.00 1.24 H new ATOM 0 HD13 LEU A 6 10.022 -2.758 -2.288 1.00 1.24 H new ATOM 0 HD21 LEU A 6 8.350 -5.095 -3.396 1.00 1.49 H new ATOM 0 HD22 LEU A 6 9.635 -5.317 -2.184 1.00 1.49 H new ATOM 0 HD23 LEU A 6 7.987 -5.903 -1.852 1.00 1.49 H new ATOM 123 N LEU A 7 5.642 -2.281 -0.591 1.00 0.36 N ATOM 124 CA LEU A 7 4.315 -2.374 -1.184 1.00 0.39 C ATOM 125 C LEU A 7 4.418 -2.975 -2.585 1.00 0.41 C ATOM 126 O LEU A 7 4.700 -2.283 -3.569 1.00 0.58 O ATOM 127 CB LEU A 7 3.678 -0.977 -1.212 1.00 0.55 C ATOM 128 CG LEU A 7 2.425 -0.811 -2.068 1.00 0.59 C ATOM 129 CD1 LEU A 7 1.272 -0.282 -1.226 1.00 1.53 C ATOM 130 CD2 LEU A 7 2.708 0.128 -3.236 1.00 1.25 C ATOM 0 H LEU A 7 6.151 -1.435 -0.845 1.00 0.36 H new ATOM 0 HA LEU A 7 3.679 -3.029 -0.588 1.00 0.39 H new ATOM 0 HB2 LEU A 7 3.430 -0.696 -0.188 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.427 -0.269 -1.565 1.00 0.55 H new ATOM 0 HG LEU A 7 2.141 -1.786 -2.465 1.00 0.59 H new ATOM 0 HD11 LEU A 7 0.386 -0.169 -1.851 1.00 1.53 H new ATOM 0 HD12 LEU A 7 1.059 -0.983 -0.419 1.00 1.53 H new ATOM 0 HD13 LEU A 7 1.544 0.686 -0.804 1.00 1.53 H new ATOM 0 HD21 LEU A 7 1.807 0.239 -3.840 1.00 1.25 H new ATOM 0 HD22 LEU A 7 3.011 1.103 -2.854 1.00 1.25 H new ATOM 0 HD23 LEU A 7 3.508 -0.286 -3.850 1.00 1.25 H new ATOM 142 N TYR A 8 4.240 -4.286 -2.647 1.00 0.50 N ATOM 143 CA TYR A 8 4.361 -5.029 -3.897 1.00 0.71 C ATOM 144 C TYR A 8 3.002 -5.627 -4.356 1.00 0.44 C ATOM 145 O TYR A 8 2.631 -6.699 -3.924 1.00 0.73 O ATOM 146 CB TYR A 8 5.363 -6.160 -3.608 1.00 1.29 C ATOM 147 CG TYR A 8 6.031 -6.806 -4.803 1.00 1.60 C ATOM 148 CD1 TYR A 8 7.164 -6.240 -5.375 1.00 2.21 C ATOM 149 CD2 TYR A 8 5.557 -7.998 -5.332 1.00 1.84 C ATOM 150 CE1 TYR A 8 7.797 -6.839 -6.445 1.00 2.93 C ATOM 151 CE2 TYR A 8 6.190 -8.605 -6.400 1.00 2.43 C ATOM 152 CZ TYR A 8 7.306 -8.021 -6.953 1.00 2.96 C ATOM 153 OH TYR A 8 7.940 -8.620 -8.013 1.00 3.74 O ATOM 0 H TYR A 8 4.009 -4.864 -1.839 1.00 0.50 H new ATOM 0 HA TYR A 8 4.690 -4.372 -4.702 1.00 0.71 H new ATOM 0 HB2 TYR A 8 6.142 -5.764 -2.957 1.00 1.29 H new ATOM 0 HB3 TYR A 8 4.844 -6.938 -3.048 1.00 1.29 H new ATOM 0 HD1 TYR A 8 7.556 -5.316 -4.976 1.00 2.21 H new ATOM 0 HD2 TYR A 8 4.680 -8.459 -4.902 1.00 1.84 H new ATOM 0 HE1 TYR A 8 8.673 -6.383 -6.882 1.00 2.93 H new ATOM 0 HE2 TYR A 8 5.810 -9.534 -6.799 1.00 2.43 H new ATOM 0 HH TYR A 8 7.470 -9.446 -8.251 1.00 3.74 H new ATOM 163 N CYS A 9 2.305 -4.962 -5.291 1.00 0.63 N ATOM 164 CA CYS A 9 1.090 -5.529 -5.933 1.00 0.75 C ATOM 165 C CYS A 9 1.403 -5.820 -7.391 1.00 1.05 C ATOM 166 O CYS A 9 1.891 -4.954 -8.100 1.00 1.99 O ATOM 167 CB CYS A 9 -0.093 -4.568 -5.841 1.00 1.57 C ATOM 168 SG CYS A 9 -1.547 -5.098 -6.773 1.00 2.64 S ATOM 0 H CYS A 9 2.555 -4.031 -5.625 1.00 0.63 H new ATOM 0 HA CYS A 9 0.812 -6.444 -5.411 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -0.370 -4.448 -4.794 1.00 1.57 H new ATOM 0 HB3 CYS A 9 0.220 -3.588 -6.202 1.00 1.57 H new ATOM 0 HG CYS A 9 -1.746 -6.368 -6.581 1.00 2.64 H new ATOM 174 N SER A 10 1.124 -7.008 -7.871 1.00 0.83 N ATOM 175 CA SER A 10 1.938 -7.516 -8.949 1.00 1.29 C ATOM 176 C SER A 10 1.269 -7.670 -10.303 1.00 0.84 C ATOM 177 O SER A 10 0.362 -8.473 -10.514 1.00 1.34 O ATOM 178 CB SER A 10 2.525 -8.858 -8.530 1.00 2.36 C ATOM 179 OG SER A 10 3.244 -8.729 -7.317 1.00 3.16 O ATOM 0 H SER A 10 0.373 -7.619 -7.550 1.00 0.83 H new ATOM 0 HA SER A 10 2.694 -6.747 -9.108 1.00 1.29 H new ATOM 0 HB2 SER A 10 1.726 -9.589 -8.410 1.00 2.36 H new ATOM 0 HB3 SER A 10 3.185 -9.233 -9.312 1.00 2.36 H new ATOM 0 HG SER A 10 4.206 -8.738 -7.504 1.00 3.16 H new ATOM 185 N ASN A 11 1.752 -6.828 -11.189 1.00 1.45 N ATOM 186 CA ASN A 11 2.119 -7.206 -12.534 1.00 1.79 C ATOM 187 C ASN A 11 3.638 -7.371 -12.452 1.00 1.40 C ATOM 188 O ASN A 11 4.239 -6.848 -11.505 1.00 1.83 O ATOM 189 CB ASN A 11 1.702 -6.147 -13.560 1.00 2.89 C ATOM 190 CG ASN A 11 2.010 -6.563 -14.988 1.00 3.45 C ATOM 191 OD1 ASN A 11 1.218 -7.251 -15.629 1.00 3.71 O ATOM 192 ND2 ASN A 11 3.153 -6.133 -15.503 1.00 4.02 N ATOM 0 H ASN A 11 1.904 -5.839 -10.989 1.00 1.45 H new ATOM 0 HA ASN A 11 1.618 -8.113 -12.872 1.00 1.79 H new ATOM 0 HB2 ASN A 11 0.633 -5.955 -13.464 1.00 2.89 H new ATOM 0 HB3 ASN A 11 2.215 -5.211 -13.340 1.00 2.89 H new ATOM 0 HD21 ASN A 11 3.401 -6.371 -16.463 1.00 4.02 H new ATOM 0 HD22 ASN A 11 3.784 -5.564 -14.939 1.00 4.02 H new ATOM 199 N GLY A 12 4.262 -8.070 -13.387 1.00 1.41 N ATOM 200 CA GLY A 12 5.596 -8.620 -13.148 1.00 1.36 C ATOM 201 C GLY A 12 6.726 -7.602 -12.962 1.00 1.49 C ATOM 202 O GLY A 12 7.450 -7.276 -13.902 1.00 2.34 O ATOM 0 H GLY A 12 3.876 -8.271 -14.309 1.00 1.41 H new ATOM 0 HA2 GLY A 12 5.553 -9.249 -12.259 1.00 1.36 H new ATOM 0 HA3 GLY A 12 5.854 -9.268 -13.985 1.00 1.36 H new ATOM 206 N GLY A 13 6.849 -7.102 -11.731 1.00 0.97 N ATOM 207 CA GLY A 13 8.070 -6.452 -11.258 1.00 1.26 C ATOM 208 C GLY A 13 8.039 -4.933 -11.297 1.00 0.84 C ATOM 209 O GLY A 13 8.552 -4.304 -12.222 1.00 0.89 O ATOM 0 H GLY A 13 6.104 -7.137 -11.035 1.00 0.97 H new ATOM 0 HA2 GLY A 13 8.262 -6.771 -10.234 1.00 1.26 H new ATOM 0 HA3 GLY A 13 8.908 -6.800 -11.862 1.00 1.26 H new ATOM 213 N HIS A 14 7.411 -4.357 -10.280 1.00 0.78 N ATOM 214 CA HIS A 14 7.526 -2.943 -9.945 1.00 0.61 C ATOM 215 C HIS A 14 7.742 -2.809 -8.437 1.00 0.61 C ATOM 216 O HIS A 14 7.643 -3.798 -7.721 1.00 0.92 O ATOM 217 CB HIS A 14 6.321 -2.142 -10.435 1.00 0.85 C ATOM 218 CG HIS A 14 6.441 -1.721 -11.876 1.00 0.75 C ATOM 219 ND1 HIS A 14 6.157 -2.553 -12.937 1.00 1.31 N ATOM 220 CD2 HIS A 14 6.831 -0.547 -12.426 1.00 1.07 C ATOM 221 CE1 HIS A 14 6.370 -1.910 -14.070 1.00 1.17 C ATOM 222 NE2 HIS A 14 6.777 -0.693 -13.788 1.00 0.95 N ATOM 0 H HIS A 14 6.794 -4.871 -9.651 1.00 0.78 H new ATOM 0 HA HIS A 14 8.387 -2.519 -10.461 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.419 -2.741 -10.311 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.203 -1.256 -9.812 1.00 0.85 H new ATOM 0 HD1 HIS A 14 5.832 -3.517 -12.859 1.00 1.31 H new ATOM 0 HD2 HIS A 14 7.130 0.342 -11.890 1.00 1.07 H new ATOM 0 HE1 HIS A 14 6.233 -2.316 -15.061 1.00 1.17 H new ATOM 231 N PHE A 15 8.080 -1.629 -7.955 1.00 0.49 N ATOM 232 CA PHE A 15 8.243 -1.398 -6.524 1.00 0.45 C ATOM 233 C PHE A 15 7.768 0.007 -6.214 1.00 0.39 C ATOM 234 O PHE A 15 8.081 0.922 -6.957 1.00 0.41 O ATOM 235 CB PHE A 15 9.717 -1.556 -6.107 1.00 0.51 C ATOM 236 CG PHE A 15 10.290 -2.935 -6.313 1.00 0.83 C ATOM 237 CD1 PHE A 15 10.851 -3.289 -7.527 1.00 1.15 C ATOM 238 CD2 PHE A 15 10.260 -3.878 -5.296 1.00 1.13 C ATOM 239 CE1 PHE A 15 11.371 -4.554 -7.727 1.00 1.62 C ATOM 240 CE2 PHE A 15 10.780 -5.144 -5.489 1.00 1.61 C ATOM 241 CZ PHE A 15 11.358 -5.478 -6.681 1.00 1.82 C ATOM 0 H PHE A 15 8.249 -0.807 -8.534 1.00 0.49 H new ATOM 0 HA PHE A 15 7.658 -2.131 -5.968 1.00 0.45 H new ATOM 0 HB2 PHE A 15 10.317 -0.841 -6.670 1.00 0.51 H new ATOM 0 HB3 PHE A 15 9.812 -1.293 -5.054 1.00 0.51 H new ATOM 0 HD1 PHE A 15 10.883 -2.567 -8.330 1.00 1.15 H new ATOM 0 HD2 PHE A 15 9.825 -3.620 -4.342 1.00 1.13 H new ATOM 0 HE1 PHE A 15 11.785 -4.826 -8.687 1.00 1.62 H new ATOM 0 HE2 PHE A 15 10.729 -5.873 -4.694 1.00 1.61 H new ATOM 0 HZ PHE A 15 11.803 -6.453 -6.813 1.00 1.82 H new ATOM 251 N LEU A 16 7.073 0.212 -5.105 1.00 0.43 N ATOM 252 CA LEU A 16 6.553 1.536 -4.843 1.00 0.50 C ATOM 253 C LEU A 16 7.645 2.474 -4.375 1.00 0.48 C ATOM 254 O LEU A 16 8.550 2.140 -3.612 1.00 0.64 O ATOM 255 CB LEU A 16 5.500 1.517 -3.746 1.00 0.75 C ATOM 256 CG LEU A 16 6.038 1.848 -2.348 1.00 1.35 C ATOM 257 CD1 LEU A 16 4.969 2.506 -1.509 1.00 2.23 C ATOM 258 CD2 LEU A 16 6.581 0.607 -1.658 1.00 1.59 C ATOM 0 H LEU A 16 6.864 -0.494 -4.399 1.00 0.43 H new ATOM 0 HA LEU A 16 6.122 1.878 -5.784 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.716 2.231 -3.999 1.00 0.75 H new ATOM 0 HB3 LEU A 16 5.037 0.531 -3.720 1.00 0.75 H new ATOM 0 HG LEU A 16 6.864 2.550 -2.464 1.00 1.35 H new ATOM 0 HD11 LEU A 16 5.370 2.733 -0.521 1.00 2.23 H new ATOM 0 HD12 LEU A 16 4.646 3.429 -1.990 1.00 2.23 H new ATOM 0 HD13 LEU A 16 4.118 1.832 -1.409 1.00 2.23 H new ATOM 0 HD21 LEU A 16 6.955 0.874 -0.670 1.00 1.59 H new ATOM 0 HD22 LEU A 16 5.785 -0.131 -1.558 1.00 1.59 H new ATOM 0 HD23 LEU A 16 7.393 0.187 -2.251 1.00 1.59 H new ATOM 270 N ARG A 17 7.526 3.641 -4.926 1.00 0.40 N ATOM 271 CA ARG A 17 8.512 4.681 -4.858 1.00 0.42 C ATOM 272 C ARG A 17 7.801 5.966 -4.481 1.00 0.35 C ATOM 273 O ARG A 17 6.766 6.270 -5.081 1.00 0.37 O ATOM 274 CB ARG A 17 9.126 4.771 -6.253 1.00 0.59 C ATOM 275 CG ARG A 17 10.353 5.634 -6.391 1.00 1.00 C ATOM 276 CD ARG A 17 10.808 5.620 -7.839 1.00 1.17 C ATOM 277 NE ARG A 17 12.068 6.327 -8.028 1.00 1.46 N ATOM 278 CZ ARG A 17 12.230 7.354 -8.859 1.00 1.93 C ATOM 279 NH1 ARG A 17 11.210 7.796 -9.590 1.00 2.43 N ATOM 280 NH2 ARG A 17 13.417 7.936 -8.962 1.00 2.61 N ATOM 0 H ARG A 17 6.701 3.910 -5.462 1.00 0.40 H new ATOM 0 HA ARG A 17 9.292 4.493 -4.121 1.00 0.42 H new ATOM 0 HB2 ARG A 17 9.379 3.763 -6.580 1.00 0.59 H new ATOM 0 HB3 ARG A 17 8.365 5.147 -6.937 1.00 0.59 H new ATOM 0 HG2 ARG A 17 10.133 6.654 -6.076 1.00 1.00 H new ATOM 0 HG3 ARG A 17 11.148 5.264 -5.743 1.00 1.00 H new ATOM 0 HD2 ARG A 17 10.919 4.588 -8.173 1.00 1.17 H new ATOM 0 HD3 ARG A 17 10.040 6.077 -8.464 1.00 1.17 H new ATOM 0 HE ARG A 17 12.876 6.015 -7.490 1.00 1.46 H new ATOM 0 HH11 ARG A 17 10.297 7.347 -9.516 1.00 2.43 H new ATOM 0 HH12 ARG A 17 11.341 8.584 -10.225 1.00 2.43 H new ATOM 0 HH21 ARG A 17 14.202 7.596 -8.406 1.00 2.61 H new ATOM 0 HH22 ARG A 17 13.546 8.723 -9.598 1.00 2.61 H new ATOM 294 N ILE A 18 8.286 6.726 -3.508 1.00 0.33 N ATOM 295 CA ILE A 18 7.617 7.969 -3.228 1.00 0.31 C ATOM 296 C ILE A 18 8.299 9.135 -3.916 1.00 0.32 C ATOM 297 O ILE A 18 9.525 9.274 -3.901 1.00 0.36 O ATOM 298 CB ILE A 18 7.492 8.250 -1.720 1.00 0.36 C ATOM 299 CG1 ILE A 18 8.853 8.505 -1.075 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.779 7.100 -1.026 1.00 0.41 C ATOM 301 CD1 ILE A 18 9.173 9.974 -0.881 1.00 0.91 C ATOM 0 H ILE A 18 9.099 6.512 -2.930 1.00 0.33 H new ATOM 0 HA ILE A 18 6.609 7.863 -3.629 1.00 0.31 H new ATOM 0 HB ILE A 18 6.900 9.158 -1.601 1.00 0.36 H new ATOM 0 HG12 ILE A 18 8.885 8.005 -0.107 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.628 8.053 -1.693 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.698 7.313 0.040 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.782 6.982 -1.449 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.346 6.180 -1.170 1.00 0.41 H new ATOM 0 HD11 ILE A 18 10.155 10.074 -0.418 1.00 0.91 H new ATOM 0 HD12 ILE A 18 9.175 10.477 -1.848 1.00 0.91 H new ATOM 0 HD13 ILE A 18 8.420 10.428 -0.237 1.00 0.91 H new ATOM 313 N LEU A 19 7.488 9.937 -4.563 1.00 0.36 N ATOM 314 CA LEU A 19 7.915 11.226 -5.053 1.00 0.42 C ATOM 315 C LEU A 19 7.328 12.256 -4.116 1.00 0.41 C ATOM 316 O LEU A 19 6.151 12.156 -3.770 1.00 0.43 O ATOM 317 CB LEU A 19 7.438 11.476 -6.491 1.00 0.54 C ATOM 318 CG LEU A 19 8.083 10.598 -7.572 1.00 0.96 C ATOM 319 CD1 LEU A 19 7.600 9.159 -7.473 1.00 1.56 C ATOM 320 CD2 LEU A 19 7.789 11.162 -8.952 1.00 1.84 C ATOM 0 H LEU A 19 6.513 9.715 -4.765 1.00 0.36 H new ATOM 0 HA LEU A 19 9.003 11.279 -5.078 1.00 0.42 H new ATOM 0 HB2 LEU A 19 6.359 11.328 -6.526 1.00 0.54 H new ATOM 0 HB3 LEU A 19 7.625 12.521 -6.739 1.00 0.54 H new ATOM 0 HG LEU A 19 9.161 10.601 -7.411 1.00 0.96 H new ATOM 0 HD11 LEU A 19 8.074 8.562 -8.252 1.00 1.56 H new ATOM 0 HD12 LEU A 19 7.861 8.754 -6.495 1.00 1.56 H new ATOM 0 HD13 LEU A 19 6.518 9.129 -7.601 1.00 1.56 H new ATOM 0 HD21 LEU A 19 8.252 10.530 -9.710 1.00 1.84 H new ATOM 0 HD22 LEU A 19 6.711 11.189 -9.112 1.00 1.84 H new ATOM 0 HD23 LEU A 19 8.193 12.172 -9.026 1.00 1.84 H new ATOM 332 N PRO A 20 8.102 13.277 -3.721 1.00 0.54 N ATOM 333 CA PRO A 20 7.741 14.160 -2.602 1.00 0.67 C ATOM 334 C PRO A 20 6.610 15.115 -2.950 1.00 0.68 C ATOM 335 O PRO A 20 6.229 15.971 -2.151 1.00 0.84 O ATOM 336 CB PRO A 20 9.026 14.954 -2.338 1.00 0.89 C ATOM 337 CG PRO A 20 10.096 14.255 -3.109 1.00 0.96 C ATOM 338 CD PRO A 20 9.407 13.633 -4.285 1.00 0.70 C ATOM 0 HA PRO A 20 7.385 13.588 -1.745 1.00 0.67 H new ATOM 0 HB2 PRO A 20 8.921 15.989 -2.663 1.00 0.89 H new ATOM 0 HB3 PRO A 20 9.261 14.977 -1.274 1.00 0.89 H new ATOM 0 HG2 PRO A 20 10.867 14.955 -3.432 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.588 13.498 -2.498 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.315 14.329 -5.119 1.00 0.70 H new ATOM 0 HD3 PRO A 20 9.943 12.760 -4.657 1.00 0.70 H new ATOM 346 N ASP A 21 6.062 14.934 -4.136 1.00 0.62 N ATOM 347 CA ASP A 21 4.882 15.669 -4.558 1.00 0.78 C ATOM 348 C ASP A 21 3.640 14.945 -4.063 1.00 0.75 C ATOM 349 O ASP A 21 2.557 15.522 -3.974 1.00 0.99 O ATOM 350 CB ASP A 21 4.850 15.810 -6.082 1.00 0.94 C ATOM 351 CG ASP A 21 6.041 16.583 -6.613 1.00 1.51 C ATOM 352 OD1 ASP A 21 7.165 16.037 -6.593 1.00 2.30 O ATOM 353 OD2 ASP A 21 5.867 17.741 -7.049 1.00 1.71 O ATOM 0 H ASP A 21 6.418 14.278 -4.831 1.00 0.62 H new ATOM 0 HA ASP A 21 4.911 16.671 -4.131 1.00 0.78 H new ATOM 0 HB2 ASP A 21 4.831 14.819 -6.536 1.00 0.94 H new ATOM 0 HB3 ASP A 21 3.930 16.314 -6.379 1.00 0.94 H new ATOM 358 N GLY A 22 3.818 13.670 -3.726 1.00 0.59 N ATOM 359 CA GLY A 22 2.743 12.888 -3.154 1.00 0.72 C ATOM 360 C GLY A 22 2.301 11.747 -4.045 1.00 0.61 C ATOM 361 O GLY A 22 1.123 11.623 -4.353 1.00 0.81 O ATOM 0 H GLY A 22 4.696 13.164 -3.841 1.00 0.59 H new ATOM 0 HA2 GLY A 22 3.065 12.487 -2.193 1.00 0.72 H new ATOM 0 HA3 GLY A 22 1.891 13.540 -2.959 1.00 0.72 H new ATOM 365 N THR A 23 3.237 10.915 -4.480 1.00 0.43 N ATOM 366 CA THR A 23 2.903 9.780 -5.295 1.00 0.39 C ATOM 367 C THR A 23 3.412 8.487 -4.684 1.00 0.40 C ATOM 368 O THR A 23 4.531 8.435 -4.175 1.00 0.46 O ATOM 369 CB THR A 23 3.573 9.904 -6.648 1.00 0.44 C ATOM 370 OG1 THR A 23 3.776 11.287 -6.980 1.00 0.49 O ATOM 371 CG2 THR A 23 2.742 9.241 -7.718 1.00 0.59 C ATOM 0 H THR A 23 4.232 11.014 -4.276 1.00 0.43 H new ATOM 0 HA THR A 23 1.816 9.758 -5.377 1.00 0.39 H new ATOM 0 HB THR A 23 4.540 9.403 -6.594 1.00 0.44 H new ATOM 0 HG1 THR A 23 4.211 11.353 -7.856 1.00 0.49 H new ATOM 0 HG21 THR A 23 3.242 9.342 -8.681 1.00 0.59 H new ATOM 0 HG22 THR A 23 2.620 8.184 -7.481 1.00 0.59 H new ATOM 0 HG23 THR A 23 1.763 9.717 -7.765 1.00 0.59 H new ATOM 379 N VAL A 24 2.589 7.457 -4.735 1.00 0.47 N ATOM 380 CA VAL A 24 3.065 6.103 -4.503 1.00 0.56 C ATOM 381 C VAL A 24 2.889 5.281 -5.777 1.00 0.42 C ATOM 382 O VAL A 24 1.779 4.880 -6.148 1.00 0.50 O ATOM 383 CB VAL A 24 2.300 5.433 -3.350 1.00 0.91 C ATOM 384 CG1 VAL A 24 0.816 5.628 -3.544 1.00 0.97 C ATOM 385 CG2 VAL A 24 2.629 3.952 -3.265 1.00 1.61 C ATOM 0 H VAL A 24 1.591 7.529 -4.934 1.00 0.47 H new ATOM 0 HA VAL A 24 4.119 6.151 -4.229 1.00 0.56 H new ATOM 0 HB VAL A 24 2.606 5.899 -2.414 1.00 0.91 H new ATOM 0 HG11 VAL A 24 0.276 5.152 -2.725 1.00 0.97 H new ATOM 0 HG12 VAL A 24 0.588 6.694 -3.558 1.00 0.97 H new ATOM 0 HG13 VAL A 24 0.511 5.179 -4.489 1.00 0.97 H new ATOM 0 HG21 VAL A 24 2.074 3.503 -2.441 1.00 1.61 H new ATOM 0 HG22 VAL A 24 2.351 3.463 -4.199 1.00 1.61 H new ATOM 0 HG23 VAL A 24 3.698 3.826 -3.094 1.00 1.61 H new ATOM 395 N ASP A 25 3.978 5.080 -6.475 1.00 0.37 N ATOM 396 CA ASP A 25 3.956 4.276 -7.688 1.00 0.37 C ATOM 397 C ASP A 25 5.068 3.286 -7.750 1.00 0.39 C ATOM 398 O ASP A 25 6.069 3.422 -7.063 1.00 0.43 O ATOM 399 CB ASP A 25 3.962 5.162 -8.937 1.00 0.48 C ATOM 400 CG ASP A 25 5.294 5.851 -9.183 1.00 0.80 C ATOM 401 OD1 ASP A 25 6.193 5.217 -9.770 1.00 1.10 O ATOM 402 OD2 ASP A 25 5.459 7.019 -8.757 1.00 1.16 O ATOM 0 H ASP A 25 4.894 5.458 -6.231 1.00 0.37 H new ATOM 0 HA ASP A 25 3.026 3.709 -7.659 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.710 4.554 -9.806 1.00 0.48 H new ATOM 0 HB3 ASP A 25 3.183 5.918 -8.841 1.00 0.48 H new ATOM 407 N GLY A 26 4.887 2.285 -8.593 1.00 0.38 N ATOM 408 CA GLY A 26 5.934 1.323 -8.756 1.00 0.40 C ATOM 409 C GLY A 26 6.880 1.615 -9.894 1.00 0.42 C ATOM 410 O GLY A 26 6.504 2.038 -10.984 1.00 0.52 O ATOM 0 H GLY A 26 4.050 2.128 -9.154 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.506 1.267 -7.830 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.487 0.342 -8.914 1.00 0.40 H new ATOM 414 N THR A 27 8.112 1.360 -9.574 1.00 0.42 N ATOM 415 CA THR A 27 9.263 1.428 -10.441 1.00 0.50 C ATOM 416 C THR A 27 10.149 0.303 -10.005 1.00 0.54 C ATOM 417 O THR A 27 10.111 -0.037 -8.828 1.00 0.56 O ATOM 418 CB THR A 27 9.986 2.781 -10.290 1.00 0.57 C ATOM 419 OG1 THR A 27 9.271 3.807 -10.994 1.00 0.67 O ATOM 420 CG2 THR A 27 11.419 2.694 -10.784 1.00 0.70 C ATOM 0 H THR A 27 8.365 1.076 -8.627 1.00 0.42 H new ATOM 0 HA THR A 27 8.984 1.344 -11.491 1.00 0.50 H new ATOM 0 HB THR A 27 10.013 3.036 -9.231 1.00 0.57 H new ATOM 0 HG1 THR A 27 8.337 3.534 -11.110 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.904 3.663 -10.665 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.959 1.945 -10.205 1.00 0.70 H new ATOM 0 HG23 THR A 27 11.424 2.412 -11.837 1.00 0.70 H new ATOM 428 N ARG A 28 10.932 -0.325 -10.865 1.00 0.64 N ATOM 429 CA ARG A 28 11.714 -1.377 -10.300 1.00 0.71 C ATOM 430 C ARG A 28 12.923 -0.736 -9.657 1.00 0.65 C ATOM 431 O ARG A 28 13.805 -0.157 -10.298 1.00 0.72 O ATOM 432 CB ARG A 28 12.102 -2.447 -11.327 1.00 0.91 C ATOM 433 CG ARG A 28 12.934 -1.949 -12.498 1.00 1.56 C ATOM 434 CD ARG A 28 13.472 -3.116 -13.309 1.00 1.84 C ATOM 435 NE ARG A 28 14.307 -3.997 -12.493 1.00 2.32 N ATOM 436 CZ ARG A 28 14.067 -5.296 -12.307 1.00 2.92 C ATOM 437 NH1 ARG A 28 13.016 -5.873 -12.881 1.00 3.18 N ATOM 438 NH2 ARG A 28 14.871 -6.012 -11.531 1.00 3.76 N ATOM 0 H ARG A 28 11.033 -0.141 -11.863 1.00 0.64 H new ATOM 0 HA ARG A 28 11.127 -1.915 -9.556 1.00 0.71 H new ATOM 0 HB2 ARG A 28 12.657 -3.234 -10.816 1.00 0.91 H new ATOM 0 HB3 ARG A 28 11.191 -2.901 -11.716 1.00 0.91 H new ATOM 0 HG2 ARG A 28 12.326 -1.306 -13.135 1.00 1.56 H new ATOM 0 HG3 ARG A 28 13.762 -1.343 -12.131 1.00 1.56 H new ATOM 0 HD2 ARG A 28 12.641 -3.685 -13.726 1.00 1.84 H new ATOM 0 HD3 ARG A 28 14.053 -2.738 -14.150 1.00 1.84 H new ATOM 0 HE ARG A 28 15.125 -3.592 -12.037 1.00 2.32 H new ATOM 0 HH11 ARG A 28 12.389 -5.322 -13.467 1.00 3.18 H new ATOM 0 HH12 ARG A 28 12.837 -6.867 -12.736 1.00 3.18 H new ATOM 0 HH21 ARG A 28 15.670 -5.569 -11.078 1.00 3.76 H new ATOM 0 HH22 ARG A 28 14.689 -7.005 -11.387 1.00 3.76 H new ATOM 452 N ASP A 29 12.888 -0.853 -8.355 1.00 0.68 N ATOM 453 CA ASP A 29 13.816 -0.242 -7.454 1.00 0.69 C ATOM 454 C ASP A 29 14.272 -1.280 -6.442 1.00 0.81 C ATOM 455 O ASP A 29 13.697 -2.360 -6.322 1.00 1.48 O ATOM 456 CB ASP A 29 13.170 0.965 -6.765 1.00 1.04 C ATOM 457 CG ASP A 29 14.177 1.850 -6.056 1.00 1.58 C ATOM 458 OD1 ASP A 29 14.513 1.560 -4.893 1.00 2.20 O ATOM 459 OD2 ASP A 29 14.636 2.841 -6.661 1.00 1.84 O ATOM 0 H ASP A 29 12.176 -1.404 -7.877 1.00 0.68 H new ATOM 0 HA ASP A 29 14.685 0.122 -8.002 1.00 0.69 H new ATOM 0 HB2 ASP A 29 12.634 1.556 -7.507 1.00 1.04 H new ATOM 0 HB3 ASP A 29 12.432 0.613 -6.044 1.00 1.04 H new ATOM 464 N ARG A 30 15.282 -0.925 -5.716 1.00 0.62 N ATOM 465 CA ARG A 30 16.148 -1.849 -5.018 1.00 0.91 C ATOM 466 C ARG A 30 15.644 -2.239 -3.641 1.00 1.03 C ATOM 467 O ARG A 30 16.419 -2.758 -2.836 1.00 1.18 O ATOM 468 CB ARG A 30 17.443 -1.111 -4.830 1.00 1.63 C ATOM 469 CG ARG A 30 18.330 -1.091 -6.063 1.00 2.20 C ATOM 470 CD ARG A 30 19.591 -0.276 -5.832 1.00 2.58 C ATOM 471 NE ARG A 30 19.333 1.163 -5.873 1.00 3.27 N ATOM 472 CZ ARG A 30 20.165 2.089 -5.396 1.00 3.80 C ATOM 473 NH1 ARG A 30 21.249 1.738 -4.713 1.00 3.96 N ATOM 474 NH2 ARG A 30 19.887 3.371 -5.574 1.00 4.57 N ATOM 0 H ARG A 30 15.545 0.051 -5.581 1.00 0.62 H new ATOM 0 HA ARG A 30 16.221 -2.769 -5.598 1.00 0.91 H new ATOM 0 HB2 ARG A 30 17.224 -0.084 -4.536 1.00 1.63 H new ATOM 0 HB3 ARG A 30 17.993 -1.568 -4.007 1.00 1.63 H new ATOM 0 HG2 ARG A 30 18.600 -2.112 -6.334 1.00 2.20 H new ATOM 0 HG3 ARG A 30 17.776 -0.674 -6.904 1.00 2.20 H new ATOM 0 HD2 ARG A 30 20.020 -0.539 -4.865 1.00 2.58 H new ATOM 0 HD3 ARG A 30 20.331 -0.533 -6.590 1.00 2.58 H new ATOM 0 HE ARG A 30 18.459 1.479 -6.294 1.00 3.27 H new ATOM 0 HH11 ARG A 30 21.451 0.752 -4.549 1.00 3.96 H new ATOM 0 HH12 ARG A 30 21.879 2.455 -4.353 1.00 3.96 H new ATOM 0 HH21 ARG A 30 19.041 3.645 -6.073 1.00 4.57 H new ATOM 0 HH22 ARG A 30 20.519 4.085 -5.212 1.00 4.57 H new ATOM 488 N SER A 31 14.362 -1.999 -3.373 1.00 1.72 N ATOM 489 CA SER A 31 13.869 -1.930 -2.004 1.00 2.60 C ATOM 490 C SER A 31 14.810 -1.007 -1.237 1.00 2.41 C ATOM 491 O SER A 31 15.217 -1.261 -0.105 1.00 2.90 O ATOM 492 CB SER A 31 13.704 -3.320 -1.349 1.00 3.49 C ATOM 493 OG SER A 31 14.881 -4.110 -1.406 1.00 4.00 O ATOM 0 H SER A 31 13.649 -1.850 -4.087 1.00 1.72 H new ATOM 0 HA SER A 31 12.858 -1.523 -1.988 1.00 2.60 H new ATOM 0 HB2 SER A 31 13.412 -3.191 -0.307 1.00 3.49 H new ATOM 0 HB3 SER A 31 12.892 -3.853 -1.844 1.00 3.49 H new ATOM 0 HG SER A 31 15.651 -3.536 -1.603 1.00 4.00 H new ATOM 499 N ASP A 32 15.134 0.079 -1.931 1.00 1.76 N ATOM 500 CA ASP A 32 16.137 1.034 -1.545 1.00 1.59 C ATOM 501 C ASP A 32 15.492 2.102 -0.681 1.00 1.18 C ATOM 502 O ASP A 32 14.345 1.956 -0.257 1.00 1.25 O ATOM 503 CB ASP A 32 16.763 1.612 -2.836 1.00 1.59 C ATOM 504 CG ASP A 32 17.801 2.702 -2.629 1.00 1.92 C ATOM 505 OD1 ASP A 32 18.607 2.569 -1.684 1.00 2.37 O ATOM 506 OD2 ASP A 32 17.825 3.674 -3.406 1.00 2.08 O ATOM 0 H ASP A 32 14.679 0.317 -2.812 1.00 1.76 H new ATOM 0 HA ASP A 32 16.931 0.577 -0.955 1.00 1.59 H new ATOM 0 HB2 ASP A 32 17.225 0.796 -3.392 1.00 1.59 H new ATOM 0 HB3 ASP A 32 15.963 2.010 -3.460 1.00 1.59 H new ATOM 511 N GLN A 33 16.237 3.148 -0.431 1.00 1.02 N ATOM 512 CA GLN A 33 15.825 4.288 0.368 1.00 0.76 C ATOM 513 C GLN A 33 14.636 5.050 -0.240 1.00 0.55 C ATOM 514 O GLN A 33 14.470 6.242 -0.011 1.00 0.72 O ATOM 515 CB GLN A 33 17.018 5.214 0.408 1.00 1.03 C ATOM 516 CG GLN A 33 18.240 4.614 1.079 1.00 1.73 C ATOM 517 CD GLN A 33 19.526 5.233 0.576 1.00 2.18 C ATOM 518 OE1 GLN A 33 20.018 6.217 1.130 1.00 2.42 O ATOM 519 NE2 GLN A 33 20.070 4.669 -0.492 1.00 2.92 N ATOM 0 H GLN A 33 17.187 3.238 -0.790 1.00 1.02 H new ATOM 0 HA GLN A 33 15.504 3.942 1.351 1.00 0.76 H new ATOM 0 HB2 GLN A 33 17.279 5.499 -0.611 1.00 1.03 H new ATOM 0 HB3 GLN A 33 16.739 6.128 0.933 1.00 1.03 H new ATOM 0 HG2 GLN A 33 18.167 4.756 2.157 1.00 1.73 H new ATOM 0 HG3 GLN A 33 18.261 3.539 0.899 1.00 1.73 H new ATOM 0 HE21 GLN A 33 19.629 3.855 -0.919 1.00 2.92 H new ATOM 0 HE22 GLN A 33 20.930 5.049 -0.887 1.00 2.92 H new ATOM 528 N HIS A 34 13.828 4.365 -1.027 1.00 0.44 N ATOM 529 CA HIS A 34 12.606 4.928 -1.565 1.00 0.36 C ATOM 530 C HIS A 34 11.440 3.982 -1.279 1.00 0.32 C ATOM 531 O HIS A 34 10.287 4.399 -1.252 1.00 0.37 O ATOM 532 CB HIS A 34 12.727 5.149 -3.081 1.00 0.57 C ATOM 533 CG HIS A 34 13.963 5.892 -3.505 1.00 0.85 C ATOM 534 ND1 HIS A 34 14.017 7.263 -3.638 1.00 1.54 N ATOM 535 CD2 HIS A 34 15.197 5.439 -3.833 1.00 1.29 C ATOM 536 CE1 HIS A 34 15.229 7.618 -4.030 1.00 1.61 C ATOM 537 NE2 HIS A 34 15.962 6.529 -4.155 1.00 1.34 N ATOM 0 H HIS A 34 14.002 3.401 -1.311 1.00 0.44 H new ATOM 0 HA HIS A 34 12.428 5.892 -1.087 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.712 4.180 -3.579 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.851 5.699 -3.427 1.00 0.57 H new ATOM 0 HD2 HIS A 34 15.519 4.408 -3.839 1.00 1.29 H new ATOM 0 HE1 HIS A 34 15.562 8.628 -4.216 1.00 1.61 H new ATOM 0 HE2 HIS A 34 16.940 6.502 -4.444 1.00 1.34 H new ATOM 546 N ILE A 35 11.762 2.702 -1.063 1.00 0.38 N ATOM 547 CA ILE A 35 10.746 1.654 -0.926 1.00 0.45 C ATOM 548 C ILE A 35 10.215 1.439 0.516 1.00 0.46 C ATOM 549 O ILE A 35 9.196 0.760 0.704 1.00 0.63 O ATOM 550 CB ILE A 35 11.364 0.330 -1.464 1.00 0.63 C ATOM 551 CG1 ILE A 35 10.954 0.101 -2.919 1.00 1.16 C ATOM 552 CG2 ILE A 35 11.026 -0.883 -0.606 1.00 1.51 C ATOM 553 CD1 ILE A 35 11.456 1.168 -3.862 1.00 2.04 C ATOM 0 H ILE A 35 12.722 2.367 -0.979 1.00 0.38 H new ATOM 0 HA ILE A 35 9.875 1.973 -1.498 1.00 0.45 H new ATOM 0 HB ILE A 35 12.446 0.447 -1.411 1.00 0.63 H new ATOM 0 HG12 ILE A 35 11.331 -0.868 -3.246 1.00 1.16 H new ATOM 0 HG13 ILE A 35 9.867 0.057 -2.979 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.487 -1.772 -1.036 1.00 1.51 H new ATOM 0 HG22 ILE A 35 11.404 -0.731 0.405 1.00 1.51 H new ATOM 0 HG23 ILE A 35 9.945 -1.015 -0.572 1.00 1.51 H new ATOM 0 HD11 ILE A 35 11.128 0.941 -4.876 1.00 2.04 H new ATOM 0 HD12 ILE A 35 11.058 2.137 -3.560 1.00 2.04 H new ATOM 0 HD13 ILE A 35 12.545 1.198 -3.831 1.00 2.04 H new ATOM 565 N GLN A 36 10.816 2.071 1.521 1.00 0.38 N ATOM 566 CA GLN A 36 10.573 1.619 2.897 1.00 0.37 C ATOM 567 C GLN A 36 9.407 2.341 3.590 1.00 0.35 C ATOM 568 O GLN A 36 9.533 3.462 4.110 1.00 0.35 O ATOM 569 CB GLN A 36 11.846 1.738 3.754 1.00 0.43 C ATOM 570 CG GLN A 36 12.268 3.166 4.078 1.00 0.52 C ATOM 571 CD GLN A 36 13.001 3.821 2.938 1.00 0.71 C ATOM 572 OE1 GLN A 36 12.257 4.445 2.048 1.00 1.17 O flip ATOM 573 NE2 GLN A 36 14.222 3.756 2.852 1.00 1.29 N flip ATOM 0 H GLN A 36 11.449 2.865 1.423 1.00 0.38 H new ATOM 0 HA GLN A 36 10.287 0.571 2.810 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.689 1.200 4.689 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.665 1.241 3.234 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.385 3.756 4.325 1.00 0.52 H new ATOM 0 HG3 GLN A 36 12.906 3.162 4.962 1.00 0.52 H new ATOM 0 HE21 GLN A 36 14.758 3.262 3.565 1.00 1.29 H new ATOM 0 HE22 GLN A 36 14.702 4.196 2.067 1.00 1.29 H new ATOM 582 N LEU A 37 8.280 1.657 3.654 1.00 0.36 N ATOM 583 CA LEU A 37 7.150 2.138 4.422 1.00 0.35 C ATOM 584 C LEU A 37 6.898 1.197 5.577 1.00 0.37 C ATOM 585 O LEU A 37 7.064 -0.004 5.447 1.00 0.48 O ATOM 586 CB LEU A 37 5.902 2.288 3.545 1.00 0.38 C ATOM 587 CG LEU A 37 5.385 1.017 2.857 1.00 0.45 C ATOM 588 CD1 LEU A 37 4.443 0.235 3.762 1.00 0.94 C ATOM 589 CD2 LEU A 37 4.692 1.371 1.554 1.00 0.94 C ATOM 0 H LEU A 37 8.124 0.766 3.183 1.00 0.36 H new ATOM 0 HA LEU A 37 7.382 3.129 4.813 1.00 0.35 H new ATOM 0 HB2 LEU A 37 5.099 2.691 4.162 1.00 0.38 H new ATOM 0 HB3 LEU A 37 6.115 3.029 2.775 1.00 0.38 H new ATOM 0 HG LEU A 37 6.243 0.380 2.643 1.00 0.45 H new ATOM 0 HD11 LEU A 37 4.097 -0.658 3.242 1.00 0.94 H new ATOM 0 HD12 LEU A 37 4.970 -0.056 4.671 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.587 0.858 4.022 1.00 0.94 H new ATOM 0 HD21 LEU A 37 4.330 0.461 1.076 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.851 2.033 1.758 1.00 0.94 H new ATOM 0 HD23 LEU A 37 5.397 1.873 0.892 1.00 0.94 H new ATOM 601 N GLN A 38 6.500 1.723 6.702 1.00 0.34 N ATOM 602 CA GLN A 38 6.313 0.900 7.868 1.00 0.39 C ATOM 603 C GLN A 38 4.846 0.499 7.965 1.00 0.40 C ATOM 604 O GLN A 38 3.988 1.328 8.269 1.00 0.41 O ATOM 605 CB GLN A 38 6.769 1.664 9.108 1.00 0.45 C ATOM 606 CG GLN A 38 7.210 0.756 10.239 1.00 0.93 C ATOM 607 CD GLN A 38 7.516 1.510 11.513 1.00 1.37 C ATOM 608 OE1 GLN A 38 6.518 1.646 12.368 1.00 2.05 O flip ATOM 609 NE2 GLN A 38 8.640 1.955 11.732 1.00 2.12 N flip ATOM 0 H GLN A 38 6.299 2.714 6.838 1.00 0.34 H new ATOM 0 HA GLN A 38 6.912 -0.008 7.794 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.593 2.324 8.838 1.00 0.45 H new ATOM 0 HB3 GLN A 38 5.954 2.298 9.456 1.00 0.45 H new ATOM 0 HG2 GLN A 38 6.428 0.023 10.436 1.00 0.93 H new ATOM 0 HG3 GLN A 38 8.096 0.202 9.929 1.00 0.93 H new ATOM 0 HE21 GLN A 38 9.382 1.827 11.044 1.00 2.12 H new ATOM 0 HE22 GLN A 38 8.831 2.452 12.602 1.00 2.12 H new ATOM 618 N LEU A 39 4.561 -0.767 7.687 1.00 0.43 N ATOM 619 CA LEU A 39 3.188 -1.245 7.661 1.00 0.46 C ATOM 620 C LEU A 39 2.946 -2.191 8.820 1.00 0.55 C ATOM 621 O LEU A 39 3.352 -3.355 8.790 1.00 0.77 O ATOM 622 CB LEU A 39 2.889 -1.923 6.311 1.00 0.61 C ATOM 623 CG LEU A 39 1.424 -2.328 6.046 1.00 1.05 C ATOM 624 CD1 LEU A 39 1.047 -3.619 6.762 1.00 1.75 C ATOM 625 CD2 LEU A 39 0.476 -1.214 6.450 1.00 1.45 C ATOM 0 H LEU A 39 5.261 -1.478 7.477 1.00 0.43 H new ATOM 0 HA LEU A 39 2.509 -0.399 7.769 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.204 -1.249 5.515 1.00 0.61 H new ATOM 0 HB3 LEU A 39 3.508 -2.817 6.235 1.00 0.61 H new ATOM 0 HG LEU A 39 1.333 -2.504 4.974 1.00 1.05 H new ATOM 0 HD11 LEU A 39 0.007 -3.864 6.546 1.00 1.75 H new ATOM 0 HD12 LEU A 39 1.690 -4.428 6.416 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.174 -3.489 7.837 1.00 1.75 H new ATOM 0 HD21 LEU A 39 -0.551 -1.522 6.254 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.595 -1.002 7.513 1.00 1.45 H new ATOM 0 HD23 LEU A 39 0.702 -0.317 5.874 1.00 1.45 H new ATOM 637 N SER A 40 2.318 -1.671 9.850 1.00 0.46 N ATOM 638 CA SER A 40 1.958 -2.457 11.003 1.00 0.56 C ATOM 639 C SER A 40 0.446 -2.619 11.077 1.00 0.42 C ATOM 640 O SER A 40 -0.290 -1.932 10.365 1.00 0.37 O ATOM 641 CB SER A 40 2.499 -1.800 12.277 1.00 0.71 C ATOM 642 OG SER A 40 2.281 -0.400 12.269 1.00 1.38 O ATOM 0 H SER A 40 2.043 -0.691 9.910 1.00 0.46 H new ATOM 0 HA SER A 40 2.403 -3.448 10.912 1.00 0.56 H new ATOM 0 HB2 SER A 40 2.015 -2.240 13.149 1.00 0.71 H new ATOM 0 HB3 SER A 40 3.566 -2.003 12.368 1.00 0.71 H new ATOM 0 HG SER A 40 2.635 -0.009 13.095 1.00 1.38 H new ATOM 648 N ALA A 41 -0.010 -3.500 11.951 1.00 0.56 N ATOM 649 CA ALA A 41 -1.430 -3.638 12.209 1.00 0.56 C ATOM 650 C ALA A 41 -1.672 -3.155 13.622 1.00 0.64 C ATOM 651 O ALA A 41 -1.371 -3.859 14.594 1.00 0.84 O ATOM 652 CB ALA A 41 -1.907 -5.081 12.038 1.00 0.89 C ATOM 0 H ALA A 41 0.583 -4.129 12.492 1.00 0.56 H new ATOM 0 HA ALA A 41 -1.997 -3.047 11.489 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -2.976 -5.137 12.241 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.714 -5.409 11.017 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.371 -5.726 12.734 1.00 0.89 H new ATOM 658 N GLU A 42 -2.178 -1.938 13.725 1.00 0.92 N ATOM 659 CA GLU A 42 -2.148 -1.219 14.979 1.00 1.34 C ATOM 660 C GLU A 42 -3.438 -1.366 15.765 1.00 1.34 C ATOM 661 O GLU A 42 -3.408 -1.606 16.974 1.00 1.64 O ATOM 662 CB GLU A 42 -1.836 0.241 14.712 1.00 1.88 C ATOM 663 CG GLU A 42 -0.446 0.433 14.124 1.00 2.46 C ATOM 664 CD GLU A 42 0.649 0.020 15.093 1.00 2.62 C ATOM 665 OE1 GLU A 42 1.006 -1.172 15.119 1.00 2.70 O ATOM 666 OE2 GLU A 42 1.142 0.889 15.841 1.00 3.12 O ATOM 0 H GLU A 42 -2.613 -1.431 12.954 1.00 0.92 H new ATOM 0 HA GLU A 42 -1.364 -1.654 15.599 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -2.578 0.650 14.027 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -1.916 0.804 15.642 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -0.357 -0.151 13.208 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -0.311 1.479 13.850 1.00 2.46 H new ATOM 673 N SER A 43 -4.570 -1.212 15.098 1.00 1.09 N ATOM 674 CA SER A 43 -5.838 -1.421 15.750 1.00 1.14 C ATOM 675 C SER A 43 -6.473 -2.655 15.146 1.00 1.00 C ATOM 676 O SER A 43 -6.062 -3.096 14.071 1.00 1.09 O ATOM 677 CB SER A 43 -6.747 -0.194 15.632 1.00 1.24 C ATOM 678 OG SER A 43 -7.873 -0.305 16.493 1.00 1.59 O ATOM 0 H SER A 43 -4.630 -0.946 14.115 1.00 1.09 H new ATOM 0 HA SER A 43 -5.685 -1.572 16.819 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.183 0.705 15.880 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.083 -0.085 14.601 1.00 1.24 H new ATOM 0 HG SER A 43 -8.436 0.492 16.400 1.00 1.59 H new ATOM 684 N VAL A 44 -7.462 -3.213 15.824 1.00 0.92 N ATOM 685 CA VAL A 44 -8.060 -4.457 15.382 1.00 0.91 C ATOM 686 C VAL A 44 -8.590 -4.316 13.950 1.00 0.77 C ATOM 687 O VAL A 44 -9.453 -3.490 13.660 1.00 0.79 O ATOM 688 CB VAL A 44 -9.194 -4.918 16.335 1.00 1.07 C ATOM 689 CG1 VAL A 44 -10.233 -3.819 16.529 1.00 1.85 C ATOM 690 CG2 VAL A 44 -9.845 -6.191 15.812 1.00 1.83 C ATOM 0 H VAL A 44 -7.864 -2.825 16.677 1.00 0.92 H new ATOM 0 HA VAL A 44 -7.283 -5.221 15.399 1.00 0.91 H new ATOM 0 HB VAL A 44 -8.751 -5.131 17.308 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -11.015 -4.172 17.202 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -9.755 -2.938 16.958 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -10.673 -3.560 15.566 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -10.638 -6.500 16.493 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -10.267 -6.005 14.824 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -9.097 -6.981 15.744 1.00 1.83 H new ATOM 700 N GLY A 45 -7.996 -5.088 13.047 1.00 0.73 N ATOM 701 CA GLY A 45 -8.454 -5.135 11.681 1.00 0.67 C ATOM 702 C GLY A 45 -7.710 -4.167 10.789 1.00 0.54 C ATOM 703 O GLY A 45 -7.477 -4.453 9.611 1.00 0.56 O ATOM 0 H GLY A 45 -7.195 -5.688 13.246 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -8.333 -6.147 11.295 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.520 -4.908 11.650 1.00 0.67 H new ATOM 707 N GLU A 46 -7.301 -3.035 11.343 1.00 0.56 N ATOM 708 CA GLU A 46 -6.738 -1.975 10.536 1.00 0.50 C ATOM 709 C GLU A 46 -5.221 -1.926 10.578 1.00 0.40 C ATOM 710 O GLU A 46 -4.584 -2.204 11.589 1.00 0.48 O ATOM 711 CB GLU A 46 -7.354 -0.628 10.909 1.00 0.75 C ATOM 712 CG GLU A 46 -7.416 -0.368 12.398 1.00 1.02 C ATOM 713 CD GLU A 46 -8.224 0.865 12.740 1.00 1.35 C ATOM 714 OE1 GLU A 46 -9.466 0.821 12.630 1.00 1.80 O ATOM 715 OE2 GLU A 46 -7.611 1.896 13.092 1.00 1.67 O ATOM 0 H GLU A 46 -7.350 -2.832 12.341 1.00 0.56 H new ATOM 0 HA GLU A 46 -6.996 -2.201 9.501 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -6.777 0.167 10.436 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -8.363 -0.576 10.500 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -7.852 -1.234 12.896 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -6.404 -0.254 12.786 1.00 1.02 H new ATOM 722 N VAL A 47 -4.658 -1.594 9.436 1.00 0.33 N ATOM 723 CA VAL A 47 -3.228 -1.445 9.284 1.00 0.33 C ATOM 724 C VAL A 47 -2.881 0.000 9.018 1.00 0.33 C ATOM 725 O VAL A 47 -3.640 0.723 8.364 1.00 0.36 O ATOM 726 CB VAL A 47 -2.639 -2.321 8.171 1.00 0.40 C ATOM 727 CG1 VAL A 47 -2.725 -3.790 8.550 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.329 -2.057 6.841 1.00 0.48 C ATOM 0 H VAL A 47 -5.185 -1.419 8.580 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.786 -1.779 10.223 1.00 0.33 H new ATOM 0 HB VAL A 47 -1.587 -2.060 8.052 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.303 -4.398 7.750 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.166 -3.962 9.470 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -3.768 -4.066 8.703 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -2.891 -2.692 6.071 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.392 -2.279 6.932 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.199 -1.010 6.565 1.00 0.48 H new ATOM 738 N TYR A 48 -1.758 0.427 9.543 1.00 0.34 N ATOM 739 CA TYR A 48 -1.381 1.814 9.439 1.00 0.36 C ATOM 740 C TYR A 48 -0.117 1.912 8.612 1.00 0.38 C ATOM 741 O TYR A 48 0.904 1.302 8.934 1.00 0.39 O ATOM 742 CB TYR A 48 -1.162 2.399 10.837 1.00 0.41 C ATOM 743 CG TYR A 48 -1.201 3.908 10.892 1.00 0.55 C ATOM 744 CD1 TYR A 48 -2.405 4.577 11.065 1.00 1.47 C ATOM 745 CD2 TYR A 48 -0.039 4.663 10.786 1.00 0.91 C ATOM 746 CE1 TYR A 48 -2.453 5.954 11.130 1.00 1.79 C ATOM 747 CE2 TYR A 48 -0.078 6.043 10.854 1.00 1.00 C ATOM 748 CZ TYR A 48 -1.288 6.683 11.026 1.00 1.23 C ATOM 749 OH TYR A 48 -1.335 8.056 11.098 1.00 1.60 O ATOM 0 H TYR A 48 -1.093 -0.163 10.044 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.173 2.384 8.954 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.925 2.003 11.508 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -0.198 2.058 11.214 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -3.320 4.010 11.150 1.00 1.47 H new ATOM 0 HD2 TYR A 48 0.909 4.164 10.648 1.00 0.91 H new ATOM 0 HE1 TYR A 48 -3.399 6.458 11.262 1.00 1.79 H new ATOM 0 HE2 TYR A 48 0.833 6.617 10.773 1.00 1.00 H new ATOM 0 HH TYR A 48 -0.597 8.436 10.577 1.00 1.60 H new ATOM 759 N ILE A 49 -0.203 2.673 7.537 1.00 0.42 N ATOM 760 CA ILE A 49 0.888 2.782 6.596 1.00 0.44 C ATOM 761 C ILE A 49 1.645 4.067 6.848 1.00 0.42 C ATOM 762 O ILE A 49 1.212 5.152 6.458 1.00 0.52 O ATOM 763 CB ILE A 49 0.376 2.749 5.142 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.612 1.589 4.962 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.551 2.614 4.182 1.00 0.58 C ATOM 766 CD1 ILE A 49 -1.228 1.501 3.583 1.00 1.20 C ATOM 0 H ILE A 49 -1.025 3.227 7.296 1.00 0.42 H new ATOM 0 HA ILE A 49 1.552 1.930 6.738 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.144 3.681 4.921 1.00 0.52 H new ATOM 0 HG12 ILE A 49 -0.097 0.653 5.177 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -1.410 1.690 5.697 1.00 0.62 H new ATOM 0 HG21 ILE A 49 1.182 2.591 3.157 1.00 0.58 H new ATOM 0 HG22 ILE A 49 2.223 3.463 4.307 1.00 0.58 H new ATOM 0 HG23 ILE A 49 2.090 1.691 4.394 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -1.913 0.654 3.544 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -1.774 2.420 3.369 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -0.441 1.366 2.841 1.00 1.20 H new ATOM 778 N LYS A 50 2.776 3.938 7.506 1.00 0.36 N ATOM 779 CA LYS A 50 3.521 5.087 7.956 1.00 0.37 C ATOM 780 C LYS A 50 4.872 5.147 7.271 1.00 0.35 C ATOM 781 O LYS A 50 5.424 4.131 6.875 1.00 0.36 O ATOM 782 CB LYS A 50 3.650 5.085 9.488 1.00 0.44 C ATOM 783 CG LYS A 50 4.330 3.859 10.073 1.00 0.93 C ATOM 784 CD LYS A 50 3.908 3.627 11.519 1.00 0.88 C ATOM 785 CE LYS A 50 4.206 4.828 12.408 1.00 1.35 C ATOM 786 NZ LYS A 50 5.658 4.990 12.674 1.00 1.86 N ATOM 0 H LYS A 50 3.200 3.041 7.741 1.00 0.36 H new ATOM 0 HA LYS A 50 2.976 5.990 7.680 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.208 5.971 9.792 1.00 0.44 H new ATOM 0 HB3 LYS A 50 2.654 5.171 9.922 1.00 0.44 H new ATOM 0 HG2 LYS A 50 4.081 2.983 9.475 1.00 0.93 H new ATOM 0 HG3 LYS A 50 5.412 3.982 10.023 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.841 3.408 11.553 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.425 2.751 11.910 1.00 0.88 H new ATOM 0 HE2 LYS A 50 3.823 5.732 11.933 1.00 1.35 H new ATOM 0 HE3 LYS A 50 3.676 4.716 13.354 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 5.809 5.820 13.283 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 6.020 4.140 13.151 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 6.163 5.124 11.775 1.00 1.86 H new ATOM 800 N SER A 51 5.389 6.344 7.121 1.00 0.40 N ATOM 801 CA SER A 51 6.645 6.558 6.478 1.00 0.39 C ATOM 802 C SER A 51 7.761 6.299 7.451 1.00 0.39 C ATOM 803 O SER A 51 7.744 6.777 8.584 1.00 0.48 O ATOM 804 CB SER A 51 6.693 8.025 6.038 1.00 0.48 C ATOM 805 OG SER A 51 6.471 8.890 7.139 1.00 1.10 O ATOM 0 H SER A 51 4.938 7.198 7.448 1.00 0.40 H new ATOM 0 HA SER A 51 6.757 5.889 5.624 1.00 0.39 H new ATOM 0 HB2 SER A 51 7.662 8.243 5.589 1.00 0.48 H new ATOM 0 HB3 SER A 51 5.939 8.204 5.272 1.00 0.48 H new ATOM 0 HG SER A 51 6.711 8.430 7.970 1.00 1.10 H new ATOM 811 N THR A 52 8.724 5.511 7.013 1.00 0.35 N ATOM 812 CA THR A 52 9.945 5.402 7.743 1.00 0.41 C ATOM 813 C THR A 52 10.750 6.642 7.404 1.00 0.45 C ATOM 814 O THR A 52 10.481 7.719 7.938 1.00 0.53 O ATOM 815 CB THR A 52 10.707 4.115 7.380 1.00 0.43 C ATOM 816 OG1 THR A 52 9.794 3.010 7.351 1.00 0.62 O ATOM 817 CG2 THR A 52 11.802 3.833 8.389 1.00 0.77 C ATOM 0 H THR A 52 8.674 4.948 6.164 1.00 0.35 H new ATOM 0 HA THR A 52 9.757 5.338 8.815 1.00 0.41 H new ATOM 0 HB THR A 52 11.163 4.249 6.399 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.490 2.861 6.431 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.326 2.919 8.111 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.506 4.665 8.404 1.00 0.77 H new ATOM 0 HG23 THR A 52 11.362 3.712 9.379 1.00 0.77 H new ATOM 825 N GLU A 53 11.713 6.528 6.532 1.00 0.46 N ATOM 826 CA GLU A 53 12.378 7.732 6.057 1.00 0.53 C ATOM 827 C GLU A 53 11.663 8.268 4.813 1.00 0.44 C ATOM 828 O GLU A 53 11.311 9.442 4.725 1.00 0.47 O ATOM 829 CB GLU A 53 13.840 7.408 5.722 1.00 0.68 C ATOM 830 CG GLU A 53 14.668 8.607 5.284 1.00 1.43 C ATOM 831 CD GLU A 53 14.971 9.561 6.419 1.00 1.83 C ATOM 832 OE1 GLU A 53 15.858 9.254 7.242 1.00 2.11 O ATOM 833 OE2 GLU A 53 14.314 10.620 6.500 1.00 2.55 O ATOM 0 H GLU A 53 12.054 5.650 6.140 1.00 0.46 H new ATOM 0 HA GLU A 53 12.346 8.494 6.836 1.00 0.53 H new ATOM 0 HB2 GLU A 53 14.309 6.959 6.597 1.00 0.68 H new ATOM 0 HB3 GLU A 53 13.861 6.659 4.930 1.00 0.68 H new ATOM 0 HG2 GLU A 53 15.605 8.256 4.851 1.00 1.43 H new ATOM 0 HG3 GLU A 53 14.135 9.143 4.499 1.00 1.43 H new ATOM 840 N THR A 54 11.441 7.360 3.876 1.00 0.36 N ATOM 841 CA THR A 54 10.824 7.654 2.585 1.00 0.30 C ATOM 842 C THR A 54 9.467 6.962 2.388 1.00 0.31 C ATOM 843 O THR A 54 9.063 6.748 1.253 1.00 0.38 O ATOM 844 CB THR A 54 11.804 7.250 1.474 1.00 0.40 C ATOM 845 OG1 THR A 54 13.119 7.136 2.035 1.00 1.13 O ATOM 846 CG2 THR A 54 11.835 8.277 0.359 1.00 0.93 C ATOM 0 H THR A 54 11.688 6.377 3.990 1.00 0.36 H new ATOM 0 HA THR A 54 10.617 8.724 2.548 1.00 0.30 H new ATOM 0 HB THR A 54 11.474 6.299 1.055 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.731 6.770 1.363 1.00 1.13 H new ATOM 0 HG21 THR A 54 12.539 7.958 -0.410 1.00 0.93 H new ATOM 0 HG22 THR A 54 10.840 8.371 -0.077 1.00 0.93 H new ATOM 0 HG23 THR A 54 12.148 9.241 0.761 1.00 0.93 H new ATOM 854 N GLY A 55 8.770 6.559 3.450 1.00 0.33 N ATOM 855 CA GLY A 55 7.827 5.468 3.249 1.00 0.40 C ATOM 856 C GLY A 55 6.392 5.821 2.902 1.00 0.46 C ATOM 857 O GLY A 55 5.724 4.955 2.357 1.00 0.56 O ATOM 0 H GLY A 55 8.832 6.941 4.394 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.216 4.833 2.453 1.00 0.40 H new ATOM 0 HA3 GLY A 55 7.813 4.867 4.158 1.00 0.40 H new ATOM 861 N GLN A 56 5.912 7.034 3.225 1.00 0.43 N ATOM 862 CA GLN A 56 4.711 7.639 2.563 1.00 0.54 C ATOM 863 C GLN A 56 3.920 8.630 3.419 1.00 0.56 C ATOM 864 O GLN A 56 3.743 8.450 4.620 1.00 0.63 O ATOM 865 CB GLN A 56 3.698 6.619 2.047 1.00 0.81 C ATOM 866 CG GLN A 56 3.864 6.316 0.573 1.00 0.91 C ATOM 867 CD GLN A 56 2.594 5.809 -0.046 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.764 6.737 -0.484 1.00 2.18 O flip ATOM 869 NE2 GLN A 56 2.345 4.610 -0.112 1.00 1.06 N flip ATOM 0 H GLN A 56 6.329 7.628 3.942 1.00 0.43 H new ATOM 0 HA GLN A 56 5.184 8.168 1.735 1.00 0.54 H new ATOM 0 HB2 GLN A 56 3.799 5.695 2.616 1.00 0.81 H new ATOM 0 HB3 GLN A 56 2.690 6.994 2.224 1.00 0.81 H new ATOM 0 HG2 GLN A 56 4.186 7.218 0.052 1.00 0.91 H new ATOM 0 HG3 GLN A 56 4.652 5.574 0.442 1.00 0.91 H new ATOM 0 HE21 GLN A 56 3.018 3.929 0.240 1.00 1.06 H new ATOM 0 HE22 GLN A 56 1.465 4.294 -0.519 1.00 1.06 H new ATOM 878 N TYR A 57 3.362 9.630 2.739 1.00 0.57 N ATOM 879 CA TYR A 57 2.262 10.418 3.276 1.00 0.62 C ATOM 880 C TYR A 57 1.025 9.833 2.674 1.00 0.59 C ATOM 881 O TYR A 57 0.354 10.464 1.864 1.00 0.67 O ATOM 882 CB TYR A 57 2.377 11.941 2.957 1.00 0.76 C ATOM 883 CG TYR A 57 1.129 12.800 3.239 1.00 1.77 C ATOM 884 CD1 TYR A 57 0.085 12.358 4.055 1.00 2.17 C ATOM 885 CD2 TYR A 57 1.012 14.066 2.680 1.00 2.59 C ATOM 886 CE1 TYR A 57 -1.024 13.144 4.299 1.00 3.20 C ATOM 887 CE2 TYR A 57 -0.097 14.857 2.920 1.00 3.64 C ATOM 888 CZ TYR A 57 -1.110 14.392 3.729 1.00 3.91 C ATOM 889 OH TYR A 57 -2.213 15.183 3.973 1.00 4.98 O ATOM 0 H TYR A 57 3.660 9.913 1.806 1.00 0.57 H new ATOM 0 HA TYR A 57 2.260 10.369 4.365 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.208 12.348 3.533 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.635 12.050 1.904 1.00 0.76 H new ATOM 0 HD1 TYR A 57 0.147 11.378 4.506 1.00 2.17 H new ATOM 0 HD2 TYR A 57 1.802 14.440 2.046 1.00 2.59 H new ATOM 0 HE1 TYR A 57 -1.819 12.781 4.934 1.00 3.20 H new ATOM 0 HE2 TYR A 57 -0.168 15.838 2.474 1.00 3.64 H new ATOM 0 HH TYR A 57 -2.117 16.034 3.497 1.00 4.98 H new ATOM 899 N LEU A 58 0.714 8.617 3.061 1.00 0.55 N ATOM 900 CA LEU A 58 -0.305 7.905 2.352 1.00 0.58 C ATOM 901 C LEU A 58 -1.645 8.481 2.711 1.00 0.56 C ATOM 902 O LEU A 58 -2.036 8.586 3.871 1.00 0.72 O ATOM 903 CB LEU A 58 -0.256 6.408 2.618 1.00 0.70 C ATOM 904 CG LEU A 58 -0.486 5.566 1.369 1.00 1.32 C ATOM 905 CD1 LEU A 58 -0.225 4.100 1.646 1.00 1.59 C ATOM 906 CD2 LEU A 58 -1.896 5.751 0.827 1.00 1.85 C ATOM 0 H LEU A 58 1.142 8.118 3.841 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.131 8.026 1.283 1.00 0.58 H new ATOM 0 HB2 LEU A 58 0.714 6.154 3.046 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.010 6.154 3.363 1.00 0.70 H new ATOM 0 HG LEU A 58 0.220 5.910 0.613 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -0.397 3.522 0.738 1.00 1.59 H new ATOM 0 HD12 LEU A 58 0.808 3.969 1.970 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -0.898 3.752 2.430 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -2.027 5.137 -0.064 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -2.619 5.450 1.585 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -2.053 6.799 0.571 1.00 1.85 H new ATOM 918 N ALA A 59 -2.290 8.918 1.670 1.00 0.47 N ATOM 919 CA ALA A 59 -3.475 9.706 1.765 1.00 0.46 C ATOM 920 C ALA A 59 -4.459 9.254 0.708 1.00 0.46 C ATOM 921 O ALA A 59 -4.133 9.217 -0.481 1.00 0.51 O ATOM 922 CB ALA A 59 -3.109 11.175 1.590 1.00 0.54 C ATOM 0 H ALA A 59 -1.997 8.730 0.711 1.00 0.47 H new ATOM 0 HA ALA A 59 -3.942 9.581 2.742 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.009 11.785 1.661 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.408 11.471 2.370 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -2.648 11.321 0.613 1.00 0.54 H new ATOM 928 N MET A 60 -5.642 8.876 1.127 1.00 0.48 N ATOM 929 CA MET A 60 -6.691 8.603 0.166 1.00 0.52 C ATOM 930 C MET A 60 -7.360 9.916 -0.240 1.00 0.55 C ATOM 931 O MET A 60 -7.469 10.842 0.561 1.00 0.74 O ATOM 932 CB MET A 60 -7.727 7.641 0.767 1.00 0.66 C ATOM 933 CG MET A 60 -9.066 8.287 1.106 1.00 1.76 C ATOM 934 SD MET A 60 -8.980 9.409 2.516 1.00 2.80 S ATOM 935 CE MET A 60 -10.639 10.082 2.515 1.00 3.74 C ATOM 0 H MET A 60 -5.903 8.751 2.105 1.00 0.48 H new ATOM 0 HA MET A 60 -6.257 8.132 -0.716 1.00 0.52 H new ATOM 0 HB2 MET A 60 -7.899 6.826 0.064 1.00 0.66 H new ATOM 0 HB3 MET A 60 -7.311 7.199 1.672 1.00 0.66 H new ATOM 0 HG2 MET A 60 -9.428 8.835 0.236 1.00 1.76 H new ATOM 0 HG3 MET A 60 -9.796 7.505 1.317 1.00 1.76 H new ATOM 0 HE1 MET A 60 -10.915 10.372 3.529 1.00 3.74 H new ATOM 0 HE2 MET A 60 -10.677 10.956 1.865 1.00 3.74 H new ATOM 0 HE3 MET A 60 -11.337 9.328 2.151 1.00 3.74 H new ATOM 945 N ASP A 61 -7.738 10.030 -1.500 1.00 0.51 N ATOM 946 CA ASP A 61 -8.564 11.150 -1.922 1.00 0.56 C ATOM 947 C ASP A 61 -9.918 10.628 -2.345 1.00 0.56 C ATOM 948 O ASP A 61 -10.038 9.990 -3.390 1.00 0.64 O ATOM 949 CB ASP A 61 -7.941 11.911 -3.075 1.00 0.71 C ATOM 950 CG ASP A 61 -8.585 13.268 -3.273 1.00 1.02 C ATOM 951 OD1 ASP A 61 -8.282 14.193 -2.492 1.00 1.58 O ATOM 952 OD2 ASP A 61 -9.410 13.411 -4.199 1.00 1.34 O ATOM 0 H ASP A 61 -7.492 9.373 -2.240 1.00 0.51 H new ATOM 0 HA ASP A 61 -8.657 11.837 -1.081 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -6.874 12.039 -2.891 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -8.038 11.327 -3.990 1.00 0.71 H new ATOM 957 N THR A 62 -10.903 10.841 -1.479 1.00 0.65 N ATOM 958 CA THR A 62 -12.264 10.366 -1.636 1.00 0.83 C ATOM 959 C THR A 62 -12.309 8.847 -1.748 1.00 0.87 C ATOM 960 O THR A 62 -13.358 8.261 -2.000 1.00 1.31 O ATOM 961 CB THR A 62 -12.995 11.045 -2.807 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.476 10.632 -4.080 1.00 1.47 O ATOM 963 CG2 THR A 62 -12.901 12.560 -2.689 1.00 1.55 C ATOM 0 H THR A 62 -10.765 11.370 -0.618 1.00 0.65 H new ATOM 0 HA THR A 62 -12.804 10.649 -0.732 1.00 0.83 H new ATOM 0 HB THR A 62 -14.039 10.736 -2.751 1.00 0.97 H new ATOM 0 HG1 THR A 62 -11.704 10.044 -3.943 1.00 1.47 H new ATOM 0 HG21 THR A 62 -13.424 13.023 -3.526 1.00 1.55 H new ATOM 0 HG22 THR A 62 -13.358 12.881 -1.753 1.00 1.55 H new ATOM 0 HG23 THR A 62 -11.854 12.862 -2.703 1.00 1.55 H new ATOM 971 N ASP A 63 -11.128 8.251 -1.559 1.00 0.78 N ATOM 972 CA ASP A 63 -10.922 6.814 -1.446 1.00 0.88 C ATOM 973 C ASP A 63 -10.874 6.220 -2.842 1.00 0.87 C ATOM 974 O ASP A 63 -11.010 5.026 -3.046 1.00 0.96 O ATOM 975 CB ASP A 63 -12.009 6.185 -0.574 1.00 1.05 C ATOM 976 CG ASP A 63 -11.553 4.936 0.134 1.00 1.19 C ATOM 977 OD1 ASP A 63 -10.333 4.802 0.356 1.00 1.54 O ATOM 978 OD2 ASP A 63 -12.402 4.070 0.423 1.00 1.42 O ATOM 0 H ASP A 63 -10.260 8.781 -1.478 1.00 0.78 H new ATOM 0 HA ASP A 63 -9.974 6.601 -0.953 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -12.339 6.914 0.166 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -12.872 5.948 -1.196 1.00 1.05 H new ATOM 983 N GLY A 64 -10.646 7.117 -3.790 1.00 0.82 N ATOM 984 CA GLY A 64 -10.728 6.797 -5.203 1.00 0.89 C ATOM 985 C GLY A 64 -9.377 6.756 -5.896 1.00 0.90 C ATOM 986 O GLY A 64 -9.265 6.293 -7.034 1.00 1.17 O ATOM 0 H GLY A 64 -10.399 8.088 -3.598 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -11.217 5.830 -5.320 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.359 7.535 -5.698 1.00 0.89 H new ATOM 990 N LEU A 65 -8.362 7.272 -5.239 1.00 0.72 N ATOM 991 CA LEU A 65 -6.999 7.182 -5.738 1.00 0.71 C ATOM 992 C LEU A 65 -6.047 7.482 -4.605 1.00 0.67 C ATOM 993 O LEU A 65 -6.173 8.511 -3.935 1.00 0.79 O ATOM 994 CB LEU A 65 -6.795 8.119 -6.933 1.00 0.74 C ATOM 995 CG LEU A 65 -5.375 8.200 -7.503 1.00 1.41 C ATOM 996 CD1 LEU A 65 -5.436 8.463 -8.999 1.00 2.03 C ATOM 997 CD2 LEU A 65 -4.567 9.294 -6.817 1.00 2.04 C ATOM 0 H LEU A 65 -8.452 7.763 -4.350 1.00 0.72 H new ATOM 0 HA LEU A 65 -6.798 6.174 -6.100 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -7.466 7.804 -7.732 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -7.101 9.122 -6.636 1.00 0.74 H new ATOM 0 HG LEU A 65 -4.879 7.247 -7.319 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -4.424 8.520 -9.400 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -5.976 7.653 -9.489 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -5.952 9.405 -9.182 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -3.564 9.327 -7.243 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -5.057 10.256 -6.967 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -4.501 9.083 -5.750 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.143 6.555 -4.341 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.287 6.676 -3.191 1.00 0.68 C ATOM 1011 C LEU A 66 -2.923 7.244 -3.550 1.00 0.63 C ATOM 1012 O LEU A 66 -2.111 6.628 -4.249 1.00 0.73 O ATOM 1013 CB LEU A 66 -4.132 5.312 -2.548 1.00 0.90 C ATOM 1014 CG LEU A 66 -5.428 4.507 -2.363 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -6.634 5.391 -2.088 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -5.709 3.588 -3.553 1.00 1.56 C ATOM 0 H LEU A 66 -4.989 5.720 -4.906 1.00 0.65 H new ATOM 0 HA LEU A 66 -4.749 7.374 -2.492 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -3.444 4.722 -3.154 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -3.666 5.443 -1.572 1.00 0.90 H new ATOM 0 HG LEU A 66 -5.264 3.887 -1.481 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -7.521 4.769 -1.966 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -6.465 5.964 -1.177 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -6.782 6.074 -2.924 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -6.634 3.039 -3.378 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -5.807 4.186 -4.459 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -4.886 2.883 -3.671 1.00 1.56 H new ATOM 1028 N TYR A 67 -2.660 8.421 -3.046 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.367 9.040 -3.282 1.00 0.63 C ATOM 1030 C TYR A 67 -0.753 9.478 -1.967 1.00 0.70 C ATOM 1031 O TYR A 67 -1.458 9.921 -1.076 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.525 10.230 -4.237 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.359 11.373 -3.689 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -3.746 11.300 -3.653 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -1.753 12.530 -3.219 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.503 12.348 -3.165 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -2.503 13.581 -2.729 1.00 1.16 C ATOM 1038 CZ TYR A 67 -3.876 13.485 -2.703 1.00 1.21 C ATOM 1039 OH TYR A 67 -4.624 14.537 -2.225 1.00 1.64 O ATOM 0 H TYR A 67 -3.306 8.969 -2.478 1.00 0.62 H new ATOM 0 HA TYR A 67 -0.699 8.314 -3.745 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -0.535 10.609 -4.491 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -1.979 9.878 -5.163 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.241 10.410 -4.012 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -0.676 12.610 -3.237 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.580 12.276 -3.146 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -2.015 14.474 -2.368 1.00 1.16 H new ATOM 0 HH TYR A 67 -4.027 15.259 -1.938 1.00 1.64 H new ATOM 1049 N GLY A 68 0.559 9.405 -1.861 1.00 0.66 N ATOM 1050 CA GLY A 68 1.204 9.811 -0.635 1.00 0.80 C ATOM 1051 C GLY A 68 2.689 9.970 -0.784 1.00 0.81 C ATOM 1052 O GLY A 68 3.275 9.343 -1.658 1.00 0.85 O ATOM 0 H GLY A 68 1.186 9.075 -2.595 1.00 0.66 H new ATOM 0 HA2 GLY A 68 0.774 10.755 -0.299 1.00 0.80 H new ATOM 0 HA3 GLY A 68 0.998 9.073 0.140 1.00 0.80 H new ATOM 1056 N SER A 69 3.320 10.787 0.050 1.00 0.91 N ATOM 1057 CA SER A 69 4.787 10.765 0.054 1.00 1.08 C ATOM 1058 C SER A 69 5.531 11.027 1.383 1.00 1.38 C ATOM 1059 O SER A 69 6.297 10.174 1.822 1.00 1.62 O ATOM 1060 CB SER A 69 5.286 11.771 -0.971 1.00 1.08 C ATOM 1061 OG SER A 69 6.699 11.824 -0.995 1.00 1.39 O ATOM 0 H SER A 69 2.878 11.438 0.698 1.00 0.91 H new ATOM 0 HA SER A 69 5.021 9.724 -0.171 1.00 1.08 H new ATOM 0 HB2 SER A 69 4.913 11.501 -1.959 1.00 1.08 H new ATOM 0 HB3 SER A 69 4.887 12.758 -0.738 1.00 1.08 H new ATOM 0 HG SER A 69 7.018 12.391 -0.262 1.00 1.39 H new ATOM 1067 N GLN A 70 5.315 12.161 2.032 1.00 1.49 N ATOM 1068 CA GLN A 70 6.249 12.561 3.108 1.00 1.85 C ATOM 1069 C GLN A 70 5.921 12.050 4.523 1.00 1.93 C ATOM 1070 O GLN A 70 6.786 11.523 5.221 1.00 2.19 O ATOM 1071 CB GLN A 70 6.355 14.084 3.137 1.00 2.07 C ATOM 1072 CG GLN A 70 6.822 14.686 1.820 1.00 2.63 C ATOM 1073 CD GLN A 70 6.944 16.193 1.880 1.00 3.22 C ATOM 1074 OE1 GLN A 70 7.242 16.764 2.931 1.00 3.66 O ATOM 1075 NE2 GLN A 70 6.719 16.848 0.753 1.00 3.79 N ATOM 0 H GLN A 70 4.543 12.804 1.855 1.00 1.49 H new ATOM 0 HA GLN A 70 7.193 12.080 2.851 1.00 1.85 H new ATOM 0 HB2 GLN A 70 5.382 14.503 3.394 1.00 2.07 H new ATOM 0 HB3 GLN A 70 7.047 14.377 3.927 1.00 2.07 H new ATOM 0 HG2 GLN A 70 7.787 14.257 1.551 1.00 2.63 H new ATOM 0 HG3 GLN A 70 6.121 14.413 1.031 1.00 2.63 H new ATOM 0 HE21 GLN A 70 6.475 16.336 -0.095 1.00 3.79 H new ATOM 0 HE22 GLN A 70 6.790 17.865 0.732 1.00 3.79 H new ATOM 1084 N THR A 71 4.675 12.209 4.924 1.00 1.75 N ATOM 1085 CA THR A 71 4.274 12.023 6.336 1.00 1.78 C ATOM 1086 C THR A 71 2.973 11.228 6.442 1.00 1.56 C ATOM 1087 O THR A 71 2.054 11.523 5.724 1.00 1.63 O ATOM 1088 CB THR A 71 4.109 13.398 7.027 1.00 1.94 C ATOM 1089 OG1 THR A 71 5.331 14.147 6.923 1.00 2.26 O ATOM 1090 CG2 THR A 71 3.739 13.245 8.495 1.00 2.31 C ATOM 0 H THR A 71 3.909 12.467 4.302 1.00 1.75 H new ATOM 0 HA THR A 71 5.060 11.458 6.838 1.00 1.78 H new ATOM 0 HB THR A 71 3.301 13.928 6.522 1.00 1.94 H new ATOM 0 HG1 THR A 71 5.220 15.017 7.361 1.00 2.26 H new ATOM 0 HG21 THR A 71 3.631 14.231 8.948 1.00 2.31 H new ATOM 0 HG22 THR A 71 2.797 12.703 8.578 1.00 2.31 H new ATOM 0 HG23 THR A 71 4.523 12.692 9.012 1.00 2.31 H new ATOM 1098 N PRO A 72 2.781 10.310 7.388 1.00 1.41 N ATOM 1099 CA PRO A 72 1.607 9.457 7.344 1.00 1.20 C ATOM 1100 C PRO A 72 0.580 9.764 8.435 1.00 1.04 C ATOM 1101 O PRO A 72 0.753 9.432 9.608 1.00 1.06 O ATOM 1102 CB PRO A 72 2.257 8.111 7.626 1.00 1.31 C ATOM 1103 CG PRO A 72 3.394 8.421 8.572 1.00 1.49 C ATOM 1104 CD PRO A 72 3.688 9.903 8.454 1.00 1.53 C ATOM 0 HA PRO A 72 1.043 9.554 6.416 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.548 7.416 8.075 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.621 7.648 6.709 1.00 1.31 H new ATOM 0 HG2 PRO A 72 3.123 8.163 9.596 1.00 1.49 H new ATOM 0 HG3 PRO A 72 4.276 7.833 8.318 1.00 1.49 H new ATOM 0 HD2 PRO A 72 3.487 10.434 9.385 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.730 10.093 8.197 1.00 1.53 H new ATOM 1112 N ASN A 73 -0.495 10.426 8.011 1.00 0.94 N ATOM 1113 CA ASN A 73 -1.603 10.764 8.887 1.00 0.86 C ATOM 1114 C ASN A 73 -2.584 9.648 8.723 1.00 0.68 C ATOM 1115 O ASN A 73 -2.325 8.752 7.900 1.00 0.71 O ATOM 1116 CB ASN A 73 -2.211 12.118 8.507 1.00 0.98 C ATOM 1117 CG ASN A 73 -3.099 12.691 9.600 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -2.781 12.393 10.853 1.00 2.21 O flip ATOM 1119 ND2 ASN A 73 -4.057 13.410 9.320 1.00 2.17 N flip ATOM 0 H ASN A 73 -0.617 10.741 7.049 1.00 0.94 H new ATOM 0 HA ASN A 73 -1.289 10.867 9.926 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -1.409 12.823 8.289 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -2.794 12.006 7.593 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -4.271 13.617 8.345 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -4.637 13.799 10.063 1.00 2.17 H new ATOM 1126 N GLU A 74 -3.735 9.639 9.362 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.574 8.600 8.907 1.00 0.47 C ATOM 1128 C GLU A 74 -5.617 9.178 7.998 1.00 0.52 C ATOM 1129 O GLU A 74 -6.684 9.652 8.363 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.214 7.872 10.091 1.00 0.49 C ATOM 1131 CG GLU A 74 -5.899 8.791 11.090 1.00 1.15 C ATOM 1132 CD GLU A 74 -6.500 8.034 12.254 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -5.769 7.764 13.230 1.00 2.11 O ATOM 1134 OE2 GLU A 74 -7.706 7.709 12.202 1.00 1.84 O ATOM 0 H GLU A 74 -4.066 10.259 10.101 1.00 0.59 H new ATOM 0 HA GLU A 74 -3.986 7.869 8.352 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -5.944 7.157 9.712 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -4.445 7.299 10.609 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -5.177 9.516 11.466 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -6.683 9.354 10.583 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.251 8.953 6.773 1.00 0.49 N ATOM 1142 CA GLU A 75 -6.067 8.849 5.616 1.00 0.52 C ATOM 1143 C GLU A 75 -5.628 7.549 4.975 1.00 0.40 C ATOM 1144 O GLU A 75 -6.304 6.979 4.124 1.00 0.47 O ATOM 1145 CB GLU A 75 -5.759 9.995 4.662 1.00 0.69 C ATOM 1146 CG GLU A 75 -5.792 11.383 5.292 1.00 0.89 C ATOM 1147 CD GLU A 75 -7.086 11.689 6.020 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -8.156 11.246 5.560 1.00 1.69 O ATOM 1149 OE2 GLU A 75 -7.031 12.377 7.062 1.00 2.16 O ATOM 0 H GLU A 75 -4.266 8.825 6.542 1.00 0.49 H new ATOM 0 HA GLU A 75 -7.131 8.881 5.850 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -4.772 9.832 4.229 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -6.476 9.968 3.841 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -4.961 11.475 5.991 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -5.638 12.130 4.513 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.403 7.144 5.377 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.749 5.964 4.853 1.00 0.47 C ATOM 1158 C CYS A 76 -4.296 4.660 5.437 1.00 0.40 C ATOM 1159 O CYS A 76 -3.920 3.583 4.985 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.263 6.034 5.197 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.923 5.982 6.973 1.00 1.40 S ATOM 0 H CYS A 76 -3.853 7.641 6.078 1.00 0.37 H new ATOM 0 HA CYS A 76 -3.931 5.954 3.778 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -1.748 5.204 4.713 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -1.846 6.952 4.783 1.00 0.68 H new ATOM 0 HG CYS A 76 -1.760 7.192 7.419 1.00 1.40 H new ATOM 1167 N LEU A 77 -5.148 4.737 6.453 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.501 3.534 7.180 1.00 0.46 C ATOM 1169 C LEU A 77 -6.577 2.767 6.446 1.00 0.39 C ATOM 1170 O LEU A 77 -7.626 3.308 6.060 1.00 0.40 O ATOM 1171 CB LEU A 77 -5.880 3.813 8.652 1.00 0.66 C ATOM 1172 CG LEU A 77 -7.222 4.509 8.940 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -8.386 3.528 8.889 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -7.175 5.166 10.304 1.00 1.59 C ATOM 0 H LEU A 77 -5.593 5.594 6.781 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.611 2.906 7.223 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -5.879 2.860 9.182 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -5.089 4.422 9.089 1.00 0.66 H new ATOM 0 HG LEU A 77 -7.380 5.262 8.168 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -9.316 4.056 9.097 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -8.439 3.077 7.898 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -8.237 2.748 9.635 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -8.127 5.658 10.504 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -6.990 4.409 11.066 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -6.374 5.905 10.325 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.286 1.509 6.214 1.00 0.39 N ATOM 1187 CA PHE A 78 -7.217 0.631 5.566 1.00 0.39 C ATOM 1188 C PHE A 78 -7.247 -0.686 6.335 1.00 0.36 C ATOM 1189 O PHE A 78 -6.355 -0.951 7.142 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.841 0.392 4.099 1.00 0.53 C ATOM 1191 CG PHE A 78 -6.473 1.637 3.335 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -7.414 2.630 3.105 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -5.192 1.805 2.838 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -7.080 3.767 2.396 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -4.854 2.940 2.124 1.00 0.78 C ATOM 1196 CZ PHE A 78 -5.800 3.922 1.904 1.00 0.84 C ATOM 0 H PHE A 78 -5.401 1.072 6.469 1.00 0.39 H new ATOM 0 HA PHE A 78 -8.205 1.091 5.567 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -6.002 -0.303 4.061 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -7.679 -0.092 3.597 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -8.418 2.513 3.484 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -4.448 1.041 3.010 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -7.820 4.535 2.227 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -3.852 3.058 1.739 1.00 0.78 H new ATOM 0 HZ PHE A 78 -5.538 4.810 1.348 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.269 -1.492 6.117 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.406 -2.743 6.847 1.00 0.37 C ATOM 1208 C LEU A 79 -7.705 -3.845 6.076 1.00 0.35 C ATOM 1209 O LEU A 79 -7.864 -3.952 4.863 1.00 0.35 O ATOM 1210 CB LEU A 79 -9.890 -3.070 7.077 1.00 0.44 C ATOM 1211 CG LEU A 79 -10.190 -4.297 7.948 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -11.510 -4.114 8.682 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -10.245 -5.564 7.103 1.00 1.09 C ATOM 0 H LEU A 79 -9.014 -1.307 5.445 1.00 0.37 H new ATOM 0 HA LEU A 79 -7.939 -2.652 7.828 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.364 -2.202 7.534 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.362 -3.217 6.106 1.00 0.44 H new ATOM 0 HG LEU A 79 -9.385 -4.398 8.676 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -11.710 -4.992 9.296 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -11.453 -3.231 9.319 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -12.315 -3.987 7.958 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -10.459 -6.420 7.744 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -11.030 -5.467 6.353 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -9.286 -5.713 6.607 1.00 1.09 H new ATOM 1225 N GLU A 80 -6.932 -4.658 6.774 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.137 -5.673 6.113 1.00 0.42 C ATOM 1227 C GLU A 80 -6.849 -7.011 6.157 1.00 0.40 C ATOM 1228 O GLU A 80 -7.350 -7.436 7.199 1.00 0.51 O ATOM 1229 CB GLU A 80 -4.749 -5.786 6.749 1.00 0.57 C ATOM 1230 CG GLU A 80 -3.839 -6.782 6.039 1.00 0.97 C ATOM 1231 CD GLU A 80 -2.383 -6.662 6.450 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -1.997 -7.271 7.474 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -1.621 -5.944 5.770 1.00 2.07 O ATOM 0 H GLU A 80 -6.839 -4.635 7.789 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.008 -5.377 5.072 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -4.275 -4.805 6.746 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -4.858 -6.084 7.792 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -4.186 -7.794 6.248 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -3.919 -6.633 4.962 1.00 0.97 H new ATOM 1240 N ARG A 81 -6.909 -7.650 5.006 1.00 0.38 N ATOM 1241 CA ARG A 81 -7.573 -8.926 4.863 1.00 0.39 C ATOM 1242 C ARG A 81 -6.604 -9.929 4.271 1.00 0.48 C ATOM 1243 O ARG A 81 -5.947 -9.651 3.274 1.00 0.75 O ATOM 1244 CB ARG A 81 -8.805 -8.792 3.963 1.00 0.56 C ATOM 1245 CG ARG A 81 -9.464 -10.120 3.639 1.00 0.76 C ATOM 1246 CD ARG A 81 -10.604 -9.965 2.648 1.00 1.34 C ATOM 1247 NE ARG A 81 -11.083 -11.265 2.182 1.00 2.05 N ATOM 1248 CZ ARG A 81 -12.100 -11.439 1.341 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -12.803 -10.399 0.905 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -12.423 -12.665 0.954 1.00 3.75 N ATOM 0 H ARG A 81 -6.497 -7.296 4.142 1.00 0.38 H new ATOM 0 HA ARG A 81 -7.901 -9.270 5.844 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -9.533 -8.143 4.451 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -8.515 -8.303 3.033 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -8.720 -10.804 3.231 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -9.841 -10.571 4.557 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -11.424 -9.419 3.116 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -10.271 -9.371 1.797 1.00 1.34 H new ATOM 0 HE ARG A 81 -10.604 -12.098 2.525 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -12.565 -9.457 1.215 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -13.580 -10.543 0.261 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -11.894 -13.465 1.300 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -13.201 -12.808 0.310 1.00 3.75 H new ATOM 1264 N LEU A 82 -6.499 -11.079 4.891 1.00 0.60 N ATOM 1265 CA LEU A 82 -5.616 -12.117 4.402 1.00 0.82 C ATOM 1266 C LEU A 82 -6.399 -13.160 3.626 1.00 0.66 C ATOM 1267 O LEU A 82 -7.281 -13.832 4.170 1.00 0.84 O ATOM 1268 CB LEU A 82 -4.848 -12.764 5.557 1.00 1.25 C ATOM 1269 CG LEU A 82 -3.750 -11.891 6.166 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -3.118 -12.579 7.363 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -2.692 -11.567 5.124 1.00 1.65 C ATOM 0 H LEU A 82 -7.014 -11.323 5.737 1.00 0.60 H new ATOM 0 HA LEU A 82 -4.892 -11.661 3.727 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -5.556 -13.032 6.341 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -4.400 -13.692 5.202 1.00 1.25 H new ATOM 0 HG LEU A 82 -4.203 -10.960 6.505 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -2.340 -11.940 7.781 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -3.880 -12.765 8.120 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -2.680 -13.526 7.049 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -1.918 -10.945 5.573 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -2.247 -12.492 4.757 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -3.151 -11.031 4.293 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.097 -13.266 2.344 1.00 0.76 N ATOM 1284 CA GLU A 83 -6.707 -14.274 1.499 1.00 0.82 C ATOM 1285 C GLU A 83 -5.902 -15.561 1.615 1.00 1.29 C ATOM 1286 O GLU A 83 -4.710 -15.529 1.921 1.00 2.03 O ATOM 1287 CB GLU A 83 -6.759 -13.784 0.046 1.00 1.39 C ATOM 1288 CG GLU A 83 -7.384 -14.775 -0.928 1.00 1.89 C ATOM 1289 CD GLU A 83 -8.821 -15.119 -0.589 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -9.037 -15.884 0.376 1.00 2.36 O ATOM 1291 OE2 GLU A 83 -9.733 -14.651 -1.299 1.00 2.48 O ATOM 0 H GLU A 83 -5.429 -12.662 1.865 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.731 -14.463 1.821 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -7.323 -12.852 0.009 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -5.746 -13.557 -0.285 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -7.344 -14.359 -1.935 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -6.791 -15.689 -0.937 1.00 1.89 H new ATOM 1298 N GLU A 84 -6.538 -16.691 1.351 1.00 1.26 N ATOM 1299 CA GLU A 84 -5.906 -17.978 1.589 1.00 1.78 C ATOM 1300 C GLU A 84 -5.193 -18.464 0.338 1.00 1.46 C ATOM 1301 O GLU A 84 -4.620 -19.549 0.316 1.00 1.49 O ATOM 1302 CB GLU A 84 -6.936 -19.004 2.051 1.00 2.65 C ATOM 1303 CG GLU A 84 -7.802 -18.508 3.195 1.00 3.44 C ATOM 1304 CD GLU A 84 -8.478 -19.628 3.952 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -9.063 -20.527 3.311 1.00 4.35 O ATOM 1306 OE2 GLU A 84 -8.417 -19.617 5.199 1.00 3.98 O ATOM 0 H GLU A 84 -7.485 -16.743 0.975 1.00 1.26 H new ATOM 0 HA GLU A 84 -5.166 -17.855 2.379 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -7.575 -19.272 1.210 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -6.420 -19.913 2.362 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -7.187 -17.930 3.885 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -8.562 -17.832 2.802 1.00 3.44 H new ATOM 1313 N ASN A 85 -5.202 -17.628 -0.692 1.00 1.98 N ATOM 1314 CA ASN A 85 -4.416 -17.891 -1.891 1.00 2.36 C ATOM 1315 C ASN A 85 -3.048 -17.253 -1.743 1.00 1.83 C ATOM 1316 O ASN A 85 -2.389 -16.888 -2.717 1.00 2.36 O ATOM 1317 CB ASN A 85 -5.120 -17.369 -3.146 1.00 3.24 C ATOM 1318 CG ASN A 85 -6.428 -18.082 -3.420 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -7.491 -17.650 -2.973 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -6.356 -19.185 -4.147 1.00 4.33 N ATOM 0 H ASN A 85 -5.743 -16.764 -0.722 1.00 1.98 H new ATOM 0 HA ASN A 85 -4.305 -18.969 -2.006 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -5.309 -16.301 -3.034 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -4.459 -17.488 -4.005 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -7.203 -19.713 -4.357 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -5.454 -19.507 -4.497 1.00 4.33 H new ATOM 1327 N HIS A 86 -2.656 -17.144 -0.485 1.00 1.13 N ATOM 1328 CA HIS A 86 -1.381 -16.565 -0.069 1.00 1.29 C ATOM 1329 C HIS A 86 -1.093 -15.220 -0.724 1.00 1.07 C ATOM 1330 O HIS A 86 -0.079 -15.043 -1.406 1.00 1.43 O ATOM 1331 CB HIS A 86 -0.238 -17.551 -0.304 1.00 2.00 C ATOM 1332 CG HIS A 86 -0.186 -18.622 0.739 1.00 2.54 C ATOM 1333 ND1 HIS A 86 0.519 -18.487 1.914 1.00 3.33 N ATOM 1334 CD2 HIS A 86 -0.782 -19.835 0.798 1.00 3.02 C ATOM 1335 CE1 HIS A 86 0.355 -19.567 2.650 1.00 3.99 C ATOM 1336 NE2 HIS A 86 -0.430 -20.402 1.999 1.00 3.81 N ATOM 0 H HIS A 86 -3.227 -17.462 0.298 1.00 1.13 H new ATOM 0 HA HIS A 86 -1.460 -16.369 1.000 1.00 1.29 H new ATOM 0 HB2 HIS A 86 -0.353 -18.009 -1.286 1.00 2.00 H new ATOM 0 HB3 HIS A 86 0.708 -17.010 -0.314 1.00 2.00 H new ATOM 0 HD2 HIS A 86 -1.416 -20.275 0.042 1.00 3.02 H new ATOM 0 HE1 HIS A 86 0.790 -19.739 3.623 1.00 3.99 H new ATOM 0 HE2 HIS A 86 -0.727 -21.319 2.332 1.00 3.81 H new ATOM 1345 N TYR A 87 -1.988 -14.269 -0.500 1.00 0.63 N ATOM 1346 CA TYR A 87 -1.750 -12.895 -0.900 1.00 0.49 C ATOM 1347 C TYR A 87 -2.540 -11.962 0.004 1.00 0.46 C ATOM 1348 O TYR A 87 -3.526 -12.368 0.623 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.087 -12.661 -2.383 1.00 0.61 C ATOM 1350 CG TYR A 87 -3.561 -12.560 -2.724 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -4.232 -11.347 -2.658 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -4.290 -13.693 -3.073 1.00 1.38 C ATOM 1353 CE1 TYR A 87 -5.586 -11.266 -2.928 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -5.640 -13.618 -3.354 1.00 2.16 C ATOM 1355 CZ TYR A 87 -6.247 -12.348 -3.420 1.00 2.70 C ATOM 1356 OH TYR A 87 -7.633 -12.327 -3.541 1.00 3.60 O ATOM 0 H TYR A 87 -2.886 -14.427 -0.043 1.00 0.63 H new ATOM 0 HA TYR A 87 -0.687 -12.681 -0.790 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -1.596 -11.743 -2.706 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -1.655 -13.475 -2.966 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -3.688 -10.453 -2.392 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -3.790 -14.649 -3.125 1.00 1.38 H new ATOM 0 HE1 TYR A 87 -6.118 -10.344 -2.748 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -6.219 -14.515 -3.520 1.00 2.16 H new ATOM 0 HH TYR A 87 -7.942 -13.181 -3.910 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.101 -10.722 0.075 1.00 0.38 N ATOM 1367 CA ASN A 88 -2.673 -9.756 0.996 1.00 0.38 C ATOM 1368 C ASN A 88 -3.740 -8.943 0.294 1.00 0.34 C ATOM 1369 O ASN A 88 -3.629 -8.640 -0.891 1.00 0.36 O ATOM 1370 CB ASN A 88 -1.589 -8.818 1.521 1.00 0.43 C ATOM 1371 CG ASN A 88 -1.907 -8.264 2.894 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -2.652 -7.175 2.940 1.00 1.80 O flip ATOM 1373 ND2 ASN A 88 -1.487 -8.817 3.907 1.00 1.60 N flip ATOM 0 H ASN A 88 -1.342 -10.355 -0.500 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.116 -10.296 1.833 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -0.640 -9.353 1.561 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -1.460 -7.992 0.822 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -0.914 -9.657 3.829 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -1.711 -8.436 4.826 1.00 1.60 H new ATOM 1380 N THR A 89 -4.772 -8.614 1.027 1.00 0.36 N ATOM 1381 CA THR A 89 -5.869 -7.828 0.509 1.00 0.37 C ATOM 1382 C THR A 89 -6.081 -6.615 1.411 1.00 0.37 C ATOM 1383 O THR A 89 -5.576 -6.589 2.531 1.00 0.40 O ATOM 1384 CB THR A 89 -7.151 -8.680 0.444 1.00 0.44 C ATOM 1385 OG1 THR A 89 -6.820 -10.010 0.023 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.145 -8.081 -0.537 1.00 0.49 C ATOM 0 H THR A 89 -4.878 -8.884 2.005 1.00 0.36 H new ATOM 0 HA THR A 89 -5.633 -7.492 -0.501 1.00 0.37 H new ATOM 0 HB THR A 89 -7.603 -8.702 1.436 1.00 0.44 H new ATOM 0 HG1 THR A 89 -6.374 -9.976 -0.849 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.043 -8.698 -0.568 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.408 -7.073 -0.218 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.698 -8.042 -1.530 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.789 -5.604 0.931 1.00 0.40 N ATOM 1395 CA TYR A 90 -7.089 -4.439 1.756 1.00 0.42 C ATOM 1396 C TYR A 90 -8.493 -3.915 1.488 1.00 0.38 C ATOM 1397 O TYR A 90 -9.008 -4.033 0.376 1.00 0.42 O ATOM 1398 CB TYR A 90 -6.073 -3.320 1.510 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.710 -3.580 2.103 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.497 -3.510 3.473 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.636 -3.891 1.286 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.245 -3.742 4.009 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.386 -4.127 1.815 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.215 -4.068 3.213 1.00 0.75 C ATOM 1405 OH TYR A 90 -0.940 -4.270 3.695 1.00 0.87 O ATOM 0 H TYR A 90 -7.165 -5.564 -0.017 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.028 -4.758 2.797 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -5.967 -3.171 0.435 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.465 -2.391 1.924 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.321 -3.271 4.129 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.781 -3.949 0.217 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -3.094 -3.660 5.075 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.551 -4.354 1.169 1.00 0.85 H new ATOM 0 HH TYR A 90 -0.975 -4.867 4.472 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.105 -3.334 2.512 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.378 -2.677 2.360 1.00 0.35 C ATOM 1417 C ILE A 91 -10.169 -1.222 2.701 1.00 0.36 C ATOM 1418 O ILE A 91 -9.443 -0.898 3.641 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.480 -3.322 3.245 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -12.703 -3.651 2.389 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -11.885 -2.420 4.406 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -13.797 -4.368 3.151 1.00 1.55 C ATOM 0 H ILE A 91 -8.729 -3.310 3.460 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.734 -2.783 1.335 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.068 -4.237 3.671 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -13.106 -2.727 1.974 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -12.392 -4.270 1.547 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -12.657 -2.912 4.997 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -11.016 -2.224 5.035 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.271 -1.478 4.017 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -14.634 -4.570 2.482 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -13.411 -5.309 3.543 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -14.135 -3.742 3.977 1.00 1.55 H new ATOM 1434 N SER A 92 -10.792 -0.355 1.951 1.00 0.36 N ATOM 1435 CA SER A 92 -10.527 1.051 2.069 1.00 0.40 C ATOM 1436 C SER A 92 -11.439 1.610 3.119 1.00 0.43 C ATOM 1437 O SER A 92 -12.613 1.863 2.888 1.00 0.53 O ATOM 1438 CB SER A 92 -10.712 1.732 0.717 1.00 0.47 C ATOM 1439 OG SER A 92 -11.956 1.398 0.143 1.00 1.33 O ATOM 0 H SER A 92 -11.490 -0.600 1.249 1.00 0.36 H new ATOM 0 HA SER A 92 -9.495 1.231 2.372 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.644 2.813 0.839 1.00 0.47 H new ATOM 0 HB3 SER A 92 -9.907 1.436 0.044 1.00 0.47 H new ATOM 0 HG SER A 92 -12.492 2.210 0.028 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.875 1.771 4.299 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.659 2.016 5.483 1.00 0.54 C ATOM 1447 C LYS A 93 -12.194 3.430 5.489 1.00 0.57 C ATOM 1448 O LYS A 93 -13.055 3.771 6.292 1.00 0.72 O ATOM 1449 CB LYS A 93 -10.789 1.732 6.702 1.00 0.65 C ATOM 1450 CG LYS A 93 -10.901 0.305 7.192 1.00 0.84 C ATOM 1451 CD LYS A 93 -11.994 0.138 8.237 1.00 1.27 C ATOM 1452 CE LYS A 93 -11.613 0.805 9.550 1.00 1.20 C ATOM 1453 NZ LYS A 93 -12.618 0.553 10.615 1.00 1.58 N ATOM 0 H LYS A 93 -9.868 1.735 4.459 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.526 1.356 5.503 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.749 1.945 6.456 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -11.071 2.410 7.508 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -11.106 -0.352 6.347 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -9.946 -0.008 7.615 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -12.924 0.568 7.865 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -12.179 -0.923 8.406 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -10.640 0.436 9.875 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -11.511 1.879 9.395 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -12.320 1.025 11.492 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -13.541 0.928 10.317 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -12.697 -0.470 10.782 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.764 4.207 4.510 1.00 0.52 N ATOM 1468 CA LYS A 94 -12.332 5.522 4.298 1.00 0.67 C ATOM 1469 C LYS A 94 -13.765 5.335 3.853 1.00 0.79 C ATOM 1470 O LYS A 94 -14.706 5.643 4.583 1.00 0.97 O ATOM 1471 CB LYS A 94 -11.550 6.334 3.248 1.00 0.69 C ATOM 1472 CG LYS A 94 -10.046 6.128 3.284 1.00 1.21 C ATOM 1473 CD LYS A 94 -9.460 6.436 4.663 1.00 1.56 C ATOM 1474 CE LYS A 94 -9.876 7.810 5.173 1.00 2.00 C ATOM 1475 NZ LYS A 94 -9.532 8.009 6.607 1.00 2.32 N ATOM 0 H LYS A 94 -11.027 3.950 3.854 1.00 0.52 H new ATOM 0 HA LYS A 94 -12.278 6.088 5.228 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -11.916 6.069 2.256 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -11.762 7.393 3.394 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -9.814 5.098 3.013 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -9.574 6.768 2.538 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -9.784 5.674 5.372 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -8.372 6.383 4.613 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -9.389 8.580 4.575 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -10.951 7.935 5.039 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -9.512 9.026 6.821 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -10.246 7.543 7.203 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -8.597 7.596 6.800 1.00 2.32 H new ATOM 1489 N HIS A 95 -13.931 4.810 2.654 1.00 0.76 N ATOM 1490 CA HIS A 95 -15.246 4.445 2.175 1.00 0.96 C ATOM 1491 C HIS A 95 -15.563 2.979 2.431 1.00 1.01 C ATOM 1492 O HIS A 95 -16.203 2.326 1.603 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.413 4.781 0.693 1.00 1.06 C ATOM 1494 CG HIS A 95 -15.566 6.242 0.425 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -14.776 7.208 1.013 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -16.438 6.907 -0.365 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -15.155 8.396 0.598 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -16.161 8.242 -0.240 1.00 2.32 N ATOM 0 H HIS A 95 -13.172 4.628 1.997 1.00 0.76 H new ATOM 0 HA HIS A 95 -15.961 5.039 2.743 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -14.548 4.408 0.145 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.286 4.256 0.306 1.00 1.06 H new ATOM 0 HD2 HIS A 95 -17.209 6.467 -0.980 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -14.717 9.338 0.893 1.00 2.27 H new ATOM 0 HE2 HIS A 95 -16.654 8.996 -0.718 1.00 2.32 H new ATOM 1507 N ALA A 96 -15.139 2.469 3.582 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.442 1.086 3.956 1.00 1.02 C ATOM 1509 C ALA A 96 -16.948 0.879 3.992 1.00 1.03 C ATOM 1510 O ALA A 96 -17.464 -0.184 3.643 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.829 0.744 5.305 1.00 1.18 C ATOM 0 H ALA A 96 -14.589 2.984 4.269 1.00 0.94 H new ATOM 0 HA ALA A 96 -15.008 0.421 3.209 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -15.067 -0.288 5.562 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.747 0.865 5.254 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -15.233 1.410 6.067 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.635 1.939 4.387 1.00 1.07 N ATOM 1518 CA GLU A 97 -19.087 1.973 4.456 1.00 1.16 C ATOM 1519 C GLU A 97 -19.725 1.660 3.101 1.00 1.07 C ATOM 1520 O GLU A 97 -20.790 1.049 3.032 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.507 3.364 4.915 1.00 1.30 C ATOM 1522 CG GLU A 97 -21.000 3.552 5.077 1.00 2.04 C ATOM 1523 CD GLU A 97 -21.376 5.014 5.119 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -21.097 5.680 6.132 1.00 3.22 O ATOM 1525 OE2 GLU A 97 -21.926 5.513 4.119 1.00 3.42 O ATOM 0 H GLU A 97 -17.193 2.813 4.673 1.00 1.07 H new ATOM 0 HA GLU A 97 -19.427 1.212 5.158 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -19.022 3.580 5.867 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -19.138 4.096 4.196 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -21.520 3.066 4.252 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -21.331 3.064 5.994 1.00 2.04 H new ATOM 1532 N LYS A 98 -19.067 2.077 2.023 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.606 1.875 0.683 1.00 0.88 C ATOM 1534 C LYS A 98 -19.135 0.558 0.073 1.00 0.83 C ATOM 1535 O LYS A 98 -19.518 0.231 -1.052 1.00 0.83 O ATOM 1536 CB LYS A 98 -19.188 3.020 -0.243 1.00 0.84 C ATOM 1537 CG LYS A 98 -20.079 4.250 -0.178 1.00 1.41 C ATOM 1538 CD LYS A 98 -19.917 5.032 1.116 1.00 1.98 C ATOM 1539 CE LYS A 98 -20.844 6.234 1.123 1.00 2.14 C ATOM 1540 NZ LYS A 98 -20.715 7.059 2.353 1.00 2.65 N ATOM 0 H LYS A 98 -18.166 2.554 2.051 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.691 1.848 0.781 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -18.168 3.314 0.004 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -19.174 2.652 -1.269 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -19.851 4.902 -1.021 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -21.120 3.944 -0.284 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -20.138 4.389 1.968 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -18.883 5.360 1.224 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -20.632 6.854 0.252 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -21.875 5.892 1.028 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -21.308 7.909 2.265 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -21.025 6.505 3.177 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -19.722 7.341 2.479 1.00 2.65 H new ATOM 1554 N ASN A 99 -18.293 -0.171 0.806 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.828 -1.504 0.390 1.00 0.84 C ATOM 1556 C ASN A 99 -16.712 -1.413 -0.643 1.00 0.68 C ATOM 1557 O ASN A 99 -16.553 -2.313 -1.470 1.00 0.74 O ATOM 1558 CB ASN A 99 -18.965 -2.388 -0.142 1.00 1.01 C ATOM 1559 CG ASN A 99 -19.748 -3.068 0.963 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -19.390 -4.159 1.407 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -20.831 -2.448 1.401 1.00 2.00 N ATOM 0 H ASN A 99 -17.913 0.139 1.700 1.00 0.82 H new ATOM 0 HA ASN A 99 -17.435 -1.977 1.290 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -19.643 -1.779 -0.739 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -18.549 -3.146 -0.806 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -21.402 -2.873 2.132 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -21.095 -1.545 1.008 1.00 2.00 H new ATOM 1568 N TRP A 100 -15.955 -0.325 -0.618 1.00 0.54 N ATOM 1569 CA TRP A 100 -14.849 -0.161 -1.543 1.00 0.44 C ATOM 1570 C TRP A 100 -13.664 -1.037 -1.126 1.00 0.41 C ATOM 1571 O TRP A 100 -13.579 -1.497 0.016 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.411 1.296 -1.591 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.381 2.252 -2.230 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.704 2.078 -2.522 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -15.054 3.566 -2.641 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -17.212 3.233 -3.093 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -16.204 4.161 -3.176 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -13.882 4.288 -2.598 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -16.197 5.474 -3.669 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -13.871 5.572 -3.080 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -15.007 6.161 -3.605 1.00 1.01 C ATOM 0 H TRP A 100 -16.087 0.452 0.030 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.186 -0.468 -2.533 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -14.218 1.631 -0.572 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.465 1.354 -2.130 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -17.268 1.176 -2.336 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -18.175 3.371 -3.401 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -12.984 3.849 -2.190 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -17.087 5.926 -4.081 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -12.952 6.138 -3.049 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -14.959 7.176 -3.970 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.736 -1.240 -2.050 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.591 -2.114 -1.806 1.00 0.51 C ATOM 1594 C PHE A 101 -10.301 -1.339 -2.010 1.00 0.55 C ATOM 1595 O PHE A 101 -10.218 -0.516 -2.908 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.600 -3.310 -2.766 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.707 -4.305 -2.544 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -14.016 -4.001 -2.883 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -12.431 -5.560 -2.025 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -15.027 -4.927 -2.708 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -13.438 -6.489 -1.843 1.00 0.79 C ATOM 1602 CZ PHE A 101 -14.738 -6.172 -2.187 1.00 0.77 C ATOM 0 H PHE A 101 -12.751 -0.813 -2.976 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.657 -2.478 -0.781 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.671 -2.935 -3.787 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.645 -3.829 -2.682 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -14.249 -3.028 -3.289 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -11.416 -5.815 -1.759 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -16.042 -4.677 -2.979 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -13.209 -7.461 -1.432 1.00 0.79 H new ATOM 0 HZ PHE A 101 -15.526 -6.897 -2.049 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.276 -1.624 -1.228 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.012 -0.937 -1.427 1.00 0.55 C ATOM 1614 C VAL A 102 -7.211 -1.669 -2.458 1.00 0.50 C ATOM 1615 O VAL A 102 -6.974 -2.870 -2.344 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.160 -0.819 -0.151 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -5.746 -0.345 -0.474 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -7.801 0.132 0.813 1.00 1.27 C ATOM 0 H VAL A 102 -9.289 -2.306 -0.470 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.262 0.075 -1.744 1.00 0.55 H new ATOM 0 HB VAL A 102 -7.098 -1.809 0.302 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -5.168 -0.271 0.447 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -5.268 -1.057 -1.146 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -5.791 0.633 -0.954 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -7.189 0.207 1.712 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -7.888 1.115 0.350 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -8.793 -0.233 1.079 1.00 1.27 H new ATOM 1628 N GLY A 103 -6.853 -0.952 -3.488 1.00 0.54 N ATOM 1629 CA GLY A 103 -5.995 -1.499 -4.479 1.00 0.61 C ATOM 1630 C GLY A 103 -4.914 -0.542 -4.870 1.00 0.54 C ATOM 1631 O GLY A 103 -5.070 0.685 -4.854 1.00 0.66 O ATOM 0 H GLY A 103 -7.147 0.011 -3.655 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.547 -2.419 -4.104 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -6.580 -1.765 -5.359 1.00 0.61 H new ATOM 1635 N LEU A 104 -3.839 -1.097 -5.264 1.00 0.53 N ATOM 1636 CA LEU A 104 -2.738 -0.329 -5.713 1.00 0.50 C ATOM 1637 C LEU A 104 -2.322 -0.868 -7.041 1.00 0.59 C ATOM 1638 O LEU A 104 -2.151 -2.079 -7.179 1.00 0.92 O ATOM 1639 CB LEU A 104 -1.594 -0.453 -4.715 1.00 0.77 C ATOM 1640 CG LEU A 104 -0.253 -0.787 -5.341 1.00 1.07 C ATOM 1641 CD1 LEU A 104 0.545 0.476 -5.615 1.00 1.62 C ATOM 1642 CD2 LEU A 104 0.505 -1.756 -4.461 1.00 1.27 C ATOM 0 H LEU A 104 -3.690 -2.106 -5.287 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.007 0.724 -5.801 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.502 0.485 -4.167 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -1.844 -1.225 -3.987 1.00 0.77 H new ATOM 0 HG LEU A 104 -0.421 -1.272 -6.302 1.00 1.07 H new ATOM 0 HD11 LEU A 104 1.502 0.211 -6.064 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -0.011 1.117 -6.299 1.00 1.62 H new ATOM 0 HD13 LEU A 104 0.718 1.008 -4.679 1.00 1.62 H new ATOM 0 HD21 LEU A 104 1.466 -1.989 -4.920 1.00 1.27 H new ATOM 0 HD22 LEU A 104 0.670 -1.306 -3.482 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -0.074 -2.672 -4.346 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.162 -0.038 -8.038 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.425 -0.574 -9.160 1.00 0.54 C ATOM 1656 C LYS A 105 0.026 -0.206 -8.981 1.00 0.49 C ATOM 1657 O LYS A 105 0.456 0.848 -9.362 1.00 0.55 O ATOM 1658 CB LYS A 105 -1.979 -0.063 -10.497 1.00 0.70 C ATOM 1659 CG LYS A 105 -1.236 -0.599 -11.715 1.00 0.94 C ATOM 1660 CD LYS A 105 -1.236 -2.120 -11.761 1.00 1.55 C ATOM 1661 CE LYS A 105 -2.617 -2.687 -12.040 1.00 1.97 C ATOM 1662 NZ LYS A 105 -3.084 -2.372 -13.419 1.00 2.09 N ATOM 0 H LYS A 105 -2.495 0.924 -8.105 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.530 -1.659 -9.187 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -3.031 -0.340 -10.574 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.934 1.026 -10.506 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -1.698 -0.209 -12.622 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -0.208 -0.237 -11.700 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -0.544 -2.458 -12.532 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -0.870 -2.510 -10.811 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -2.599 -3.768 -11.902 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -3.326 -2.285 -11.317 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -3.964 -1.820 -13.370 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -2.355 -1.820 -13.915 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -3.259 -3.257 -13.937 1.00 2.09 H new ATOM 1676 N LYS A 106 0.815 -1.137 -8.483 1.00 0.46 N ATOM 1677 CA LYS A 106 2.219 -0.836 -8.254 1.00 0.44 C ATOM 1678 C LYS A 106 2.915 -0.876 -9.574 1.00 0.44 C ATOM 1679 O LYS A 106 3.944 -0.257 -9.765 1.00 0.46 O ATOM 1680 CB LYS A 106 2.917 -1.802 -7.282 1.00 0.51 C ATOM 1681 CG LYS A 106 3.714 -2.897 -7.986 1.00 0.81 C ATOM 1682 CD LYS A 106 4.552 -3.719 -7.026 1.00 1.11 C ATOM 1683 CE LYS A 106 5.143 -4.949 -7.711 1.00 1.02 C ATOM 1684 NZ LYS A 106 4.282 -6.148 -7.594 1.00 1.57 N ATOM 0 H LYS A 106 0.523 -2.082 -8.234 1.00 0.46 H new ATOM 0 HA LYS A 106 2.271 0.147 -7.787 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.586 -1.235 -6.635 1.00 0.51 H new ATOM 0 HB3 LYS A 106 2.168 -2.264 -6.639 1.00 0.51 H new ATOM 0 HG2 LYS A 106 3.027 -3.555 -8.518 1.00 0.81 H new ATOM 0 HG3 LYS A 106 4.365 -2.444 -8.734 1.00 0.81 H new ATOM 0 HD2 LYS A 106 5.357 -3.103 -6.625 1.00 1.11 H new ATOM 0 HD3 LYS A 106 3.938 -4.031 -6.181 1.00 1.11 H new ATOM 0 HE2 LYS A 106 5.306 -4.727 -8.766 1.00 1.02 H new ATOM 0 HE3 LYS A 106 6.119 -5.166 -7.277 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 4.563 -6.848 -8.310 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 4.389 -6.561 -6.645 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 3.289 -5.878 -7.744 1.00 1.57 H new ATOM 1698 N ASN A 107 2.358 -1.627 -10.498 1.00 0.50 N ATOM 1699 CA ASN A 107 2.967 -1.698 -11.796 1.00 0.56 C ATOM 1700 C ASN A 107 2.754 -0.368 -12.516 1.00 0.60 C ATOM 1701 O ASN A 107 3.353 -0.100 -13.556 1.00 0.70 O ATOM 1702 CB ASN A 107 2.348 -2.857 -12.583 1.00 0.67 C ATOM 1703 CG ASN A 107 3.156 -3.236 -13.809 1.00 1.47 C ATOM 1704 OD1 ASN A 107 4.058 -4.073 -13.732 1.00 2.40 O ATOM 1705 ND2 ASN A 107 2.829 -2.650 -14.945 1.00 1.84 N ATOM 0 H ASN A 107 1.510 -2.180 -10.377 1.00 0.50 H new ATOM 0 HA ASN A 107 4.038 -1.879 -11.706 1.00 0.56 H new ATOM 0 HB2 ASN A 107 2.258 -3.726 -11.931 1.00 0.67 H new ATOM 0 HB3 ASN A 107 1.339 -2.583 -12.890 1.00 0.67 H new ATOM 0 HD21 ASN A 107 3.329 -2.885 -15.802 1.00 1.84 H new ATOM 0 HD22 ASN A 107 2.076 -1.962 -14.966 1.00 1.84 H new ATOM 1712 N GLY A 108 1.910 0.472 -11.918 1.00 0.56 N ATOM 1713 CA GLY A 108 1.748 1.838 -12.365 1.00 0.65 C ATOM 1714 C GLY A 108 2.008 2.803 -11.236 1.00 0.60 C ATOM 1715 O GLY A 108 3.125 3.240 -10.978 1.00 0.71 O ATOM 0 H GLY A 108 1.329 0.220 -11.119 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.434 2.040 -13.188 1.00 0.65 H new ATOM 0 HA3 GLY A 108 0.738 1.983 -12.749 1.00 0.65 H new ATOM 1719 N SER A 109 0.921 3.000 -10.513 1.00 0.53 N ATOM 1720 CA SER A 109 0.795 3.876 -9.358 1.00 0.64 C ATOM 1721 C SER A 109 -0.502 3.461 -8.652 1.00 0.54 C ATOM 1722 O SER A 109 -1.337 2.780 -9.259 1.00 0.54 O ATOM 1723 CB SER A 109 0.754 5.352 -9.779 1.00 0.93 C ATOM 1724 OG SER A 109 -0.285 5.600 -10.708 1.00 1.50 O ATOM 0 H SER A 109 0.046 2.523 -10.729 1.00 0.53 H new ATOM 0 HA SER A 109 1.654 3.779 -8.694 1.00 0.64 H new ATOM 0 HB2 SER A 109 0.613 5.978 -8.898 1.00 0.93 H new ATOM 0 HB3 SER A 109 1.711 5.632 -10.219 1.00 0.93 H new ATOM 0 HG SER A 109 -0.284 6.549 -10.954 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.710 3.837 -7.407 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.829 3.261 -6.671 1.00 0.82 C ATOM 1732 C CYS A 110 -3.076 4.123 -6.831 1.00 0.66 C ATOM 1733 O CYS A 110 -3.148 5.200 -6.298 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.418 3.187 -5.200 1.00 1.35 C ATOM 1735 SG CYS A 110 -2.672 2.526 -4.085 1.00 2.32 S ATOM 0 H CYS A 110 -0.145 4.514 -6.894 1.00 0.76 H new ATOM 0 HA CYS A 110 -2.066 2.269 -7.054 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -0.522 2.571 -5.120 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -1.147 4.188 -4.864 1.00 1.35 H new ATOM 0 HG CYS A 110 -2.208 2.511 -2.871 1.00 2.32 H new ATOM 1741 N LYS A 111 -4.055 3.642 -7.590 1.00 0.72 N ATOM 1742 CA LYS A 111 -5.277 4.384 -7.802 1.00 1.00 C ATOM 1743 C LYS A 111 -6.438 3.465 -7.529 1.00 0.75 C ATOM 1744 O LYS A 111 -6.662 2.555 -8.325 1.00 1.56 O ATOM 1745 CB LYS A 111 -5.355 4.926 -9.237 1.00 2.13 C ATOM 1746 CG LYS A 111 -5.241 3.860 -10.330 1.00 2.53 C ATOM 1747 CD LYS A 111 -3.810 3.642 -10.800 1.00 2.18 C ATOM 1748 CE LYS A 111 -3.363 4.783 -11.701 1.00 3.01 C ATOM 1749 NZ LYS A 111 -2.041 4.527 -12.324 1.00 3.59 N ATOM 0 H LYS A 111 -4.019 2.740 -8.066 1.00 0.72 H new ATOM 0 HA LYS A 111 -5.303 5.241 -7.128 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -6.300 5.454 -9.361 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -4.560 5.658 -9.378 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -5.642 2.918 -9.955 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -5.857 4.152 -11.181 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -3.146 3.570 -9.939 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -3.738 2.697 -11.338 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -4.106 4.937 -12.483 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -3.316 5.704 -11.120 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -2.064 4.823 -13.321 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -1.309 5.066 -11.819 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -1.822 3.512 -12.269 1.00 3.59 H new ATOM 1763 N ARG A 112 -7.197 3.622 -6.477 1.00 0.95 N ATOM 1764 CA ARG A 112 -8.348 2.758 -6.401 1.00 1.36 C ATOM 1765 C ARG A 112 -9.598 3.408 -5.851 1.00 1.14 C ATOM 1766 O ARG A 112 -9.797 3.417 -4.652 1.00 1.79 O ATOM 1767 CB ARG A 112 -8.016 1.492 -5.638 1.00 2.63 C ATOM 1768 CG ARG A 112 -7.295 0.492 -6.513 1.00 3.07 C ATOM 1769 CD ARG A 112 -8.219 -0.126 -7.540 1.00 4.09 C ATOM 1770 NE ARG A 112 -9.236 -0.946 -6.890 1.00 4.81 N ATOM 1771 CZ ARG A 112 -9.028 -2.197 -6.491 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -7.876 -2.797 -6.761 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -9.970 -2.845 -5.819 1.00 6.59 N ATOM 0 H ARG A 112 -7.060 4.285 -5.714 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.591 2.512 -7.435 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -7.395 1.737 -4.776 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -8.933 1.046 -5.254 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -6.465 0.985 -7.020 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -6.867 -0.293 -5.890 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -8.697 0.659 -8.126 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -7.642 -0.736 -8.235 1.00 4.09 H new ATOM 0 HE ARG A 112 -10.157 -0.537 -6.733 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -7.149 -2.298 -7.275 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -7.717 -3.757 -6.455 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -10.855 -2.384 -5.608 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -9.810 -3.805 -5.513 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.416 3.968 -6.719 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.827 4.132 -6.428 1.00 0.76 C ATOM 1789 C GLY A 113 -12.703 3.396 -7.425 1.00 0.77 C ATOM 1790 O GLY A 113 -13.383 2.445 -7.071 1.00 0.80 O ATOM 0 H GLY A 113 -10.128 4.318 -7.633 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -12.035 3.765 -5.423 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -12.078 5.193 -6.438 1.00 0.76 H new ATOM 1794 N PRO A 114 -12.688 3.815 -8.706 1.00 0.90 N ATOM 1795 CA PRO A 114 -13.568 3.250 -9.744 1.00 1.07 C ATOM 1796 C PRO A 114 -13.422 1.736 -9.938 1.00 0.90 C ATOM 1797 O PRO A 114 -14.315 1.095 -10.489 1.00 1.05 O ATOM 1798 CB PRO A 114 -13.142 3.987 -11.019 1.00 1.40 C ATOM 1799 CG PRO A 114 -12.511 5.248 -10.541 1.00 1.38 C ATOM 1800 CD PRO A 114 -11.844 4.902 -9.242 1.00 1.03 C ATOM 0 HA PRO A 114 -14.615 3.383 -9.470 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -12.441 3.392 -11.604 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -13.998 4.193 -11.661 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -11.787 5.622 -11.265 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -13.257 6.031 -10.402 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -10.815 4.575 -9.393 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -11.812 5.757 -8.566 1.00 1.03 H new ATOM 1808 N ARG A 115 -12.306 1.154 -9.501 1.00 0.72 N ATOM 1809 CA ARG A 115 -12.100 -0.281 -9.678 1.00 0.74 C ATOM 1810 C ARG A 115 -12.122 -1.023 -8.344 1.00 0.69 C ATOM 1811 O ARG A 115 -11.746 -2.191 -8.274 1.00 0.86 O ATOM 1812 CB ARG A 115 -10.777 -0.565 -10.396 1.00 0.96 C ATOM 1813 CG ARG A 115 -10.823 -0.421 -11.914 1.00 1.39 C ATOM 1814 CD ARG A 115 -10.950 1.027 -12.362 1.00 1.63 C ATOM 1815 NE ARG A 115 -10.589 1.186 -13.770 1.00 1.81 N ATOM 1816 CZ ARG A 115 -10.777 2.301 -14.477 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -11.419 3.336 -13.946 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -10.336 2.375 -15.725 1.00 2.62 N ATOM 0 H ARG A 115 -11.545 1.643 -9.031 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.925 -0.643 -10.291 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -10.016 0.111 -10.005 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -10.459 -1.579 -10.152 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -9.919 -0.852 -12.343 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -11.665 -0.993 -12.304 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -11.973 1.368 -12.207 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -10.307 1.657 -11.747 1.00 1.63 H new ATOM 0 HE ARG A 115 -10.164 0.389 -14.244 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -11.772 3.281 -12.991 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -11.559 4.185 -14.494 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -9.854 1.580 -16.143 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -10.479 3.227 -16.267 1.00 2.62 H new ATOM 1832 N THR A 116 -12.537 -0.343 -7.288 1.00 0.61 N ATOM 1833 CA THR A 116 -12.565 -0.931 -5.956 1.00 0.75 C ATOM 1834 C THR A 116 -13.714 -1.920 -5.773 1.00 0.85 C ATOM 1835 O THR A 116 -14.827 -1.582 -5.379 1.00 1.23 O ATOM 1836 CB THR A 116 -12.596 0.136 -4.872 1.00 0.93 C ATOM 1837 OG1 THR A 116 -13.777 0.937 -4.968 1.00 0.93 O ATOM 1838 CG2 THR A 116 -11.366 1.012 -4.996 1.00 1.13 C ATOM 0 H THR A 116 -12.861 0.623 -7.327 1.00 0.61 H new ATOM 0 HA THR A 116 -11.637 -1.494 -5.855 1.00 0.75 H new ATOM 0 HB THR A 116 -12.603 -0.357 -3.900 1.00 0.93 H new ATOM 0 HG1 THR A 116 -13.625 1.670 -5.600 1.00 0.93 H new ATOM 0 HG21 THR A 116 -11.385 1.778 -4.221 1.00 1.13 H new ATOM 0 HG22 THR A 116 -10.471 0.401 -4.880 1.00 1.13 H new ATOM 0 HG23 THR A 116 -11.356 1.488 -5.976 1.00 1.13 H new ATOM 1846 N HIS A 117 -13.359 -3.154 -6.038 1.00 0.70 N ATOM 1847 CA HIS A 117 -14.243 -4.302 -6.153 1.00 0.77 C ATOM 1848 C HIS A 117 -13.431 -5.226 -7.006 1.00 0.68 C ATOM 1849 O HIS A 117 -12.317 -4.827 -7.387 1.00 0.61 O ATOM 1850 CB HIS A 117 -15.611 -3.979 -6.804 1.00 0.89 C ATOM 1851 CG HIS A 117 -15.551 -3.284 -8.138 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -15.909 -1.964 -8.310 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -15.200 -3.733 -9.366 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -15.781 -1.633 -9.579 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -15.350 -2.687 -10.242 1.00 2.85 N ATOM 0 H HIS A 117 -12.382 -3.405 -6.190 1.00 0.70 H new ATOM 0 HA HIS A 117 -14.528 -4.708 -5.182 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -16.164 -4.910 -6.925 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -16.182 -3.356 -6.116 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -14.864 -4.730 -9.611 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -15.993 -0.663 -10.003 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -15.159 -2.720 -11.243 1.00 2.85 H new ATOM 1864 N TYR A 118 -13.883 -6.404 -7.366 1.00 0.73 N ATOM 1865 CA TYR A 118 -13.001 -7.162 -8.207 1.00 0.69 C ATOM 1866 C TYR A 118 -13.225 -6.684 -9.624 1.00 0.68 C ATOM 1867 O TYR A 118 -14.003 -7.229 -10.404 1.00 0.77 O ATOM 1868 CB TYR A 118 -13.246 -8.667 -8.084 1.00 0.78 C ATOM 1869 CG TYR A 118 -12.217 -9.486 -8.820 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -10.876 -9.439 -8.468 1.00 2.33 C ATOM 1871 CD2 TYR A 118 -12.595 -10.328 -9.857 1.00 1.90 C ATOM 1872 CE1 TYR A 118 -9.942 -10.208 -9.130 1.00 3.13 C ATOM 1873 CE2 TYR A 118 -11.666 -11.097 -10.527 1.00 2.72 C ATOM 1874 CZ TYR A 118 -10.301 -10.953 -10.195 1.00 3.19 C ATOM 1875 OH TYR A 118 -9.412 -11.809 -10.817 1.00 4.11 O ATOM 0 H TYR A 118 -14.777 -6.827 -7.116 1.00 0.73 H new ATOM 0 HA TYR A 118 -11.966 -7.005 -7.903 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -13.241 -8.947 -7.031 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -14.237 -8.903 -8.472 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -10.559 -8.791 -7.664 1.00 2.33 H new ATOM 0 HD2 TYR A 118 -13.635 -10.382 -10.144 1.00 1.90 H new ATOM 0 HE1 TYR A 118 -8.916 -10.214 -8.793 1.00 3.13 H new ATOM 0 HE2 TYR A 118 -11.976 -11.795 -11.290 1.00 2.72 H new ATOM 0 HH TYR A 118 -9.859 -12.258 -11.564 1.00 4.11 H new ATOM 1885 N GLY A 119 -12.520 -5.593 -9.882 1.00 0.62 N ATOM 1886 CA GLY A 119 -12.410 -4.996 -11.178 1.00 0.65 C ATOM 1887 C GLY A 119 -11.011 -5.164 -11.678 1.00 0.65 C ATOM 1888 O GLY A 119 -10.757 -5.518 -12.828 1.00 0.73 O ATOM 0 H GLY A 119 -11.997 -5.093 -9.163 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -13.114 -5.462 -11.867 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -12.667 -3.938 -11.127 1.00 0.65 H new ATOM 1892 N GLN A 120 -10.098 -4.911 -10.748 1.00 0.60 N ATOM 1893 CA GLN A 120 -8.688 -4.823 -11.051 1.00 0.64 C ATOM 1894 C GLN A 120 -7.900 -5.782 -10.169 1.00 0.62 C ATOM 1895 O GLN A 120 -8.251 -5.998 -9.017 1.00 0.56 O ATOM 1896 CB GLN A 120 -8.197 -3.392 -10.806 1.00 0.67 C ATOM 1897 CG GLN A 120 -6.975 -3.036 -11.643 1.00 1.05 C ATOM 1898 CD GLN A 120 -6.595 -1.573 -11.564 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -5.420 -1.221 -11.647 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -7.584 -0.710 -11.430 1.00 2.13 N ATOM 0 H GLN A 120 -10.322 -4.762 -9.764 1.00 0.60 H new ATOM 0 HA GLN A 120 -8.536 -5.091 -12.097 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -9.002 -2.693 -11.031 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -7.956 -3.271 -9.750 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -6.130 -3.641 -11.314 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -7.168 -3.297 -12.683 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -8.546 -1.043 -11.365 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -7.387 0.290 -11.392 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.826 -6.333 -10.709 1.00 0.75 N ATOM 1910 CA LYS A 121 -5.938 -7.207 -9.956 1.00 0.78 C ATOM 1911 C LYS A 121 -5.003 -6.376 -9.090 1.00 0.70 C ATOM 1912 O LYS A 121 -4.025 -6.876 -8.544 1.00 0.75 O ATOM 1913 CB LYS A 121 -5.125 -8.092 -10.907 1.00 1.06 C ATOM 1914 CG LYS A 121 -4.896 -9.504 -10.391 1.00 1.43 C ATOM 1915 CD LYS A 121 -6.213 -10.185 -10.053 1.00 1.94 C ATOM 1916 CE LYS A 121 -6.022 -11.658 -9.735 1.00 2.28 C ATOM 1917 NZ LYS A 121 -7.278 -12.284 -9.242 1.00 2.85 N ATOM 0 H LYS A 121 -6.544 -6.189 -11.679 1.00 0.75 H new ATOM 0 HA LYS A 121 -6.542 -7.849 -9.315 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -5.639 -8.145 -11.867 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -4.159 -7.621 -11.089 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -4.364 -10.087 -11.143 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -4.262 -9.472 -9.505 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -6.672 -9.686 -9.200 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -6.902 -10.081 -10.891 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -5.681 -12.181 -10.628 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -5.241 -11.769 -8.983 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -7.316 -13.276 -9.552 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -7.301 -12.245 -8.203 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -8.096 -11.770 -9.626 1.00 2.85 H new ATOM 1931 N ALA A 122 -5.326 -5.098 -8.968 1.00 0.67 N ATOM 1932 CA ALA A 122 -4.642 -4.215 -8.042 1.00 0.72 C ATOM 1933 C ALA A 122 -5.045 -4.564 -6.612 1.00 0.54 C ATOM 1934 O ALA A 122 -4.586 -3.953 -5.654 1.00 0.59 O ATOM 1935 CB ALA A 122 -4.973 -2.764 -8.358 1.00 0.92 C ATOM 0 H ALA A 122 -6.066 -4.647 -9.506 1.00 0.67 H new ATOM 0 HA ALA A 122 -3.565 -4.347 -8.145 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -4.454 -2.111 -7.656 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -4.654 -2.531 -9.374 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -6.048 -2.609 -8.270 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.935 -5.547 -6.495 1.00 0.44 N ATOM 1942 CA ILE A 123 -6.361 -6.063 -5.204 1.00 0.44 C ATOM 1943 C ILE A 123 -5.421 -7.191 -4.772 1.00 0.40 C ATOM 1944 O ILE A 123 -5.533 -7.735 -3.672 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.793 -6.635 -5.303 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.688 -5.737 -6.133 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.416 -6.804 -3.924 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -10.051 -6.337 -6.368 1.00 1.37 C ATOM 0 H ILE A 123 -6.378 -6.004 -7.292 1.00 0.44 H new ATOM 0 HA ILE A 123 -6.340 -5.249 -4.479 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.709 -7.609 -5.785 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -8.799 -4.776 -5.630 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -8.211 -5.541 -7.093 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.423 -7.208 -4.027 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.809 -7.489 -3.332 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -8.463 -5.836 -3.425 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -10.651 -5.653 -6.968 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -9.945 -7.285 -6.896 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -10.543 -6.508 -5.411 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.466 -7.498 -5.645 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.508 -8.572 -5.407 1.00 0.43 C ATOM 1962 C LEU A 124 -2.231 -8.019 -4.784 1.00 0.37 C ATOM 1963 O LEU A 124 -1.277 -7.678 -5.495 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.184 -9.272 -6.733 1.00 0.63 C ATOM 1965 CG LEU A 124 -2.119 -10.370 -6.672 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -2.625 -11.574 -5.899 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -1.696 -10.775 -8.076 1.00 1.83 C ATOM 0 H LEU A 124 -4.335 -7.012 -6.532 1.00 0.38 H new ATOM 0 HA LEU A 124 -3.946 -9.291 -4.715 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -4.103 -9.707 -7.125 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -2.858 -8.517 -7.449 1.00 0.63 H new ATOM 0 HG LEU A 124 -1.250 -9.974 -6.147 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -1.850 -12.340 -5.870 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -2.877 -11.274 -4.882 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -3.512 -11.974 -6.389 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -0.938 -11.556 -8.017 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -2.561 -11.149 -8.623 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -1.285 -9.910 -8.596 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.214 -7.936 -3.458 1.00 0.37 N ATOM 1980 CA PHE A 125 -1.073 -7.383 -2.750 1.00 0.45 C ATOM 1981 C PHE A 125 -0.150 -8.472 -2.234 1.00 0.36 C ATOM 1982 O PHE A 125 -0.565 -9.599 -1.966 1.00 0.51 O ATOM 1983 CB PHE A 125 -1.524 -6.544 -1.560 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.260 -5.295 -1.920 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -3.634 -5.310 -2.075 1.00 1.05 C ATOM 1986 CD2 PHE A 125 -1.576 -4.111 -2.122 1.00 1.00 C ATOM 1987 CE1 PHE A 125 -4.314 -4.163 -2.427 1.00 1.18 C ATOM 1988 CE2 PHE A 125 -2.251 -2.963 -2.471 1.00 1.05 C ATOM 1989 CZ PHE A 125 -3.629 -2.972 -2.553 1.00 0.85 C ATOM 0 H PHE A 125 -2.977 -8.245 -2.856 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.536 -6.762 -3.467 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -2.163 -7.155 -0.923 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.648 -6.276 -0.969 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -4.180 -6.229 -1.919 1.00 1.05 H new ATOM 0 HD2 PHE A 125 -0.503 -4.086 -2.005 1.00 1.00 H new ATOM 0 HE1 PHE A 125 -5.379 -4.197 -2.603 1.00 1.18 H new ATOM 0 HE2 PHE A 125 -1.703 -2.056 -2.680 1.00 1.05 H new ATOM 0 HZ PHE A 125 -4.169 -2.051 -2.715 1.00 0.85 H new ATOM 1999 N LEU A 126 1.106 -8.106 -2.098 1.00 0.36 N ATOM 2000 CA LEU A 126 2.121 -8.962 -1.530 1.00 0.49 C ATOM 2001 C LEU A 126 2.954 -8.110 -0.592 1.00 0.48 C ATOM 2002 O LEU A 126 3.422 -7.036 -0.979 1.00 0.49 O ATOM 2003 CB LEU A 126 2.996 -9.576 -2.628 1.00 0.68 C ATOM 2004 CG LEU A 126 3.990 -10.644 -2.156 1.00 1.22 C ATOM 2005 CD1 LEU A 126 3.251 -11.860 -1.615 1.00 1.98 C ATOM 2006 CD2 LEU A 126 4.919 -11.046 -3.292 1.00 1.96 C ATOM 0 H LEU A 126 1.455 -7.191 -2.384 1.00 0.36 H new ATOM 0 HA LEU A 126 1.662 -9.790 -0.990 1.00 0.49 H new ATOM 0 HB2 LEU A 126 2.346 -10.018 -3.383 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.553 -8.776 -3.115 1.00 0.68 H new ATOM 0 HG LEU A 126 4.592 -10.222 -1.351 1.00 1.22 H new ATOM 0 HD11 LEU A 126 3.973 -12.607 -1.285 1.00 1.98 H new ATOM 0 HD12 LEU A 126 2.627 -11.561 -0.773 1.00 1.98 H new ATOM 0 HD13 LEU A 126 2.624 -12.283 -2.399 1.00 1.98 H new ATOM 0 HD21 LEU A 126 5.618 -11.805 -2.939 1.00 1.96 H new ATOM 0 HD22 LEU A 126 4.332 -11.449 -4.117 1.00 1.96 H new ATOM 0 HD23 LEU A 126 5.474 -10.173 -3.634 1.00 1.96 H new ATOM 2018 N PRO A 127 3.130 -8.531 0.653 1.00 0.54 N ATOM 2019 CA PRO A 127 3.834 -7.748 1.635 1.00 0.55 C ATOM 2020 C PRO A 127 5.237 -8.274 1.901 1.00 0.53 C ATOM 2021 O PRO A 127 5.420 -9.306 2.546 1.00 0.66 O ATOM 2022 CB PRO A 127 2.946 -7.957 2.865 1.00 0.72 C ATOM 2023 CG PRO A 127 2.288 -9.301 2.669 1.00 0.81 C ATOM 2024 CD PRO A 127 2.590 -9.748 1.255 1.00 0.68 C ATOM 0 HA PRO A 127 3.983 -6.710 1.336 1.00 0.55 H new ATOM 0 HB2 PRO A 127 3.536 -7.940 3.781 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.202 -7.165 2.950 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.669 -10.024 3.390 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.212 -9.229 2.828 1.00 0.81 H new ATOM 0 HD2 PRO A 127 3.309 -10.567 1.232 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.695 -10.095 0.738 1.00 0.68 H new ATOM 2032 N LEU A 128 6.231 -7.554 1.407 1.00 0.44 N ATOM 2033 CA LEU A 128 7.612 -7.985 1.568 1.00 0.46 C ATOM 2034 C LEU A 128 8.407 -6.967 2.376 1.00 0.39 C ATOM 2035 O LEU A 128 8.655 -5.867 1.909 1.00 0.39 O ATOM 2036 CB LEU A 128 8.270 -8.192 0.200 1.00 0.56 C ATOM 2037 CG LEU A 128 7.630 -9.270 -0.681 1.00 0.98 C ATOM 2038 CD1 LEU A 128 8.298 -9.303 -2.046 1.00 1.34 C ATOM 2039 CD2 LEU A 128 7.722 -10.633 -0.011 1.00 1.47 C ATOM 0 H LEU A 128 6.111 -6.679 0.897 1.00 0.44 H new ATOM 0 HA LEU A 128 7.609 -8.932 2.108 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.250 -7.246 -0.341 1.00 0.56 H new ATOM 0 HB3 LEU A 128 9.318 -8.448 0.355 1.00 0.56 H new ATOM 0 HG LEU A 128 6.577 -9.024 -0.816 1.00 0.98 H new ATOM 0 HD11 LEU A 128 7.833 -10.074 -2.660 1.00 1.34 H new ATOM 0 HD12 LEU A 128 8.183 -8.334 -2.531 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.358 -9.525 -1.927 1.00 1.34 H new ATOM 0 HD21 LEU A 128 7.262 -11.385 -0.652 1.00 1.47 H new ATOM 0 HD22 LEU A 128 8.769 -10.888 0.154 1.00 1.47 H new ATOM 0 HD23 LEU A 128 7.201 -10.604 0.946 1.00 1.47 H new ATOM 2051 N PRO A 129 8.812 -7.310 3.603 1.00 0.41 N ATOM 2052 CA PRO A 129 9.623 -6.421 4.425 1.00 0.40 C ATOM 2053 C PRO A 129 11.108 -6.559 4.092 1.00 0.48 C ATOM 2054 O PRO A 129 11.542 -7.582 3.551 1.00 0.55 O ATOM 2055 CB PRO A 129 9.327 -6.907 5.844 1.00 0.48 C ATOM 2056 CG PRO A 129 9.022 -8.364 5.698 1.00 0.68 C ATOM 2057 CD PRO A 129 8.496 -8.573 4.295 1.00 0.53 C ATOM 0 HA PRO A 129 9.393 -5.366 4.274 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.181 -6.746 6.502 1.00 0.48 H new ATOM 0 HB3 PRO A 129 8.484 -6.369 6.278 1.00 0.48 H new ATOM 0 HG2 PRO A 129 9.917 -8.963 5.866 1.00 0.68 H new ATOM 0 HG3 PRO A 129 8.284 -8.678 6.436 1.00 0.68 H new ATOM 0 HD2 PRO A 129 8.976 -9.424 3.812 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.424 -8.770 4.296 1.00 0.53 H new ATOM 2065 N VAL A 130 11.889 -5.537 4.413 1.00 0.56 N ATOM 2066 CA VAL A 130 13.274 -5.495 4.010 1.00 0.76 C ATOM 2067 C VAL A 130 14.136 -6.182 5.050 1.00 0.97 C ATOM 2068 O VAL A 130 14.205 -5.763 6.205 1.00 1.03 O ATOM 2069 CB VAL A 130 13.766 -4.050 3.761 1.00 0.93 C ATOM 2070 CG1 VAL A 130 13.090 -3.465 2.531 1.00 1.43 C ATOM 2071 CG2 VAL A 130 13.527 -3.157 4.969 1.00 1.36 C ATOM 0 H VAL A 130 11.580 -4.728 4.952 1.00 0.56 H new ATOM 0 HA VAL A 130 13.360 -6.027 3.063 1.00 0.76 H new ATOM 0 HB VAL A 130 14.842 -4.094 3.590 1.00 0.93 H new ATOM 0 HG11 VAL A 130 13.447 -2.448 2.369 1.00 1.43 H new ATOM 0 HG12 VAL A 130 13.328 -4.076 1.660 1.00 1.43 H new ATOM 0 HG13 VAL A 130 12.010 -3.451 2.681 1.00 1.43 H new ATOM 0 HG21 VAL A 130 13.886 -2.151 4.754 1.00 1.36 H new ATOM 0 HG22 VAL A 130 12.460 -3.122 5.190 1.00 1.36 H new ATOM 0 HG23 VAL A 130 14.063 -3.558 5.829 1.00 1.36 H new