USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 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 57 ASN :FLIP amide:sc= -0.122 F(o=-1.2,f=-0.12) USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 153:sc= -0.153 (180deg=-0.964) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.21 K(o=-3.2,f=-8.1!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot -177:sc= 0.0981 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.206 F(o=-1,f=-0.21) USER MOD Single : A 43 ASN : amide:sc=-0.00922 K(o=-0.0092,f=-1.2) USER MOD Single : A 45 GLN : amide:sc= -0.0362 X(o=-0.036,f=-0.27) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.681 F(o=-1.2,f=-0.68) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -115:sc= 1.67 (180deg=-0.141) USER MOD Single : A 61 LYS NZ :NH3+ -132:sc= 0.919 (180deg=-0.0397) USER MOD Single : A 63 SER OG : rot -40:sc= 0.378 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 66 TYR OH : rot -46:sc= -2.35! USER MOD Single : A 68 THR OG1 : rot 55:sc= 0.124 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0413) USER MOD Single : A 80 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.8!) USER MOD Single : A 83 THR OG1 : rot 80:sc= 0.251 USER MOD Single : A 84 LYS NZ :NH3+ -116:sc= 0.615 (180deg=-0.819) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 87 LYS NZ :NH3+ 164:sc= -0.0181 (180deg=-0.22) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-2.8) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 61.048 -13.936 1.306 1.00 10.94 N ATOM 2 CA MET A 23 61.527 -15.325 1.057 1.00 10.35 C ATOM 3 C MET A 23 61.177 -16.204 2.252 1.00 9.43 C ATOM 4 O MET A 23 60.484 -15.772 3.173 1.00 9.09 O ATOM 5 CB MET A 23 63.042 -15.306 0.847 1.00 10.57 C ATOM 6 CG MET A 23 63.373 -14.487 -0.402 1.00 11.57 C ATOM 7 SD MET A 23 65.139 -14.637 -0.772 1.00 12.15 S ATOM 8 CE MET A 23 65.102 -16.343 -1.375 1.00 12.34 C ATOM 0 HA MET A 23 61.046 -15.728 0.166 1.00 10.35 H new ATOM 0 HB2 MET A 23 63.535 -14.876 1.718 1.00 10.57 H new ATOM 0 HB3 MET A 23 63.418 -16.323 0.738 1.00 10.57 H new ATOM 0 HG2 MET A 23 62.782 -14.839 -1.248 1.00 11.57 H new ATOM 0 HG3 MET A 23 63.111 -13.441 -0.244 1.00 11.57 H new ATOM 0 HE1 MET A 23 65.920 -16.498 -2.079 1.00 12.34 H new ATOM 0 HE2 MET A 23 65.212 -17.028 -0.535 1.00 12.34 H new ATOM 0 HE3 MET A 23 64.152 -16.532 -1.875 1.00 12.34 H new ATOM 20 N ALA A 24 61.663 -17.441 2.231 1.00 9.26 N ATOM 21 CA ALA A 24 61.395 -18.377 3.319 1.00 8.60 C ATOM 22 C ALA A 24 61.967 -17.867 4.641 1.00 7.85 C ATOM 23 O ALA A 24 61.377 -18.085 5.700 1.00 7.84 O ATOM 24 CB ALA A 24 62.006 -19.742 2.993 1.00 9.02 C ATOM 0 H ALA A 24 62.240 -17.817 1.479 1.00 9.26 H new ATOM 0 HA ALA A 24 60.314 -18.471 3.424 1.00 8.60 H new ATOM 0 HB1 ALA A 24 61.803 -20.436 3.809 1.00 9.02 H new ATOM 0 HB2 ALA A 24 61.568 -20.126 2.072 1.00 9.02 H new ATOM 0 HB3 ALA A 24 63.083 -19.637 2.866 1.00 9.02 H new ATOM 30 N SER A 25 63.113 -17.191 4.583 1.00 7.48 N ATOM 31 CA SER A 25 63.759 -16.688 5.793 1.00 7.06 C ATOM 32 C SER A 25 63.711 -15.164 5.846 1.00 6.13 C ATOM 33 O SER A 25 63.955 -14.487 4.848 1.00 5.81 O ATOM 34 CB SER A 25 65.216 -17.149 5.829 1.00 7.43 C ATOM 35 OG SER A 25 65.924 -16.544 4.754 1.00 7.66 O ATOM 0 H SER A 25 63.610 -16.980 3.718 1.00 7.48 H new ATOM 0 HA SER A 25 63.222 -17.083 6.655 1.00 7.06 H new ATOM 0 HB2 SER A 25 65.673 -16.876 6.780 1.00 7.43 H new ATOM 0 HB3 SER A 25 65.269 -18.235 5.750 1.00 7.43 H new ATOM 0 HG SER A 25 66.860 -16.835 4.774 1.00 7.66 H new ATOM 41 N GLU A 26 63.393 -14.637 7.024 1.00 6.02 N ATOM 42 CA GLU A 26 63.378 -13.190 7.236 1.00 5.52 C ATOM 43 C GLU A 26 64.784 -12.586 7.158 1.00 4.55 C ATOM 44 O GLU A 26 64.941 -11.421 6.794 1.00 4.71 O ATOM 45 CB GLU A 26 62.765 -12.872 8.601 1.00 6.21 C ATOM 46 CG GLU A 26 62.573 -11.357 8.734 1.00 7.11 C ATOM 47 CD GLU A 26 62.044 -10.964 10.119 1.00 7.09 C ATOM 48 OE1 GLU A 26 61.860 -11.835 10.959 1.00 6.52 O ATOM 49 OE2 GLU A 26 61.826 -9.781 10.321 1.00 7.84 O ATOM 0 H GLU A 26 63.142 -15.187 7.846 1.00 6.02 H new ATOM 0 HA GLU A 26 62.777 -12.748 6.442 1.00 5.52 H new ATOM 0 HB2 GLU A 26 61.808 -13.382 8.709 1.00 6.21 H new ATOM 0 HB3 GLU A 26 63.413 -13.239 9.397 1.00 6.21 H new ATOM 0 HG2 GLU A 26 63.523 -10.854 8.553 1.00 7.11 H new ATOM 0 HG3 GLU A 26 61.878 -11.011 7.969 1.00 7.11 H new ATOM 56 N SER A 27 65.803 -13.375 7.497 1.00 3.94 N ATOM 57 CA SER A 27 67.176 -12.874 7.524 1.00 3.27 C ATOM 58 C SER A 27 67.584 -12.244 6.189 1.00 2.27 C ATOM 59 O SER A 27 68.455 -11.374 6.159 1.00 2.60 O ATOM 60 CB SER A 27 68.133 -14.019 7.855 1.00 3.88 C ATOM 61 OG SER A 27 69.444 -13.498 8.022 1.00 4.25 O ATOM 0 H SER A 27 65.705 -14.357 7.755 1.00 3.94 H new ATOM 0 HA SER A 27 67.229 -12.100 8.290 1.00 3.27 H new ATOM 0 HB2 SER A 27 67.812 -14.526 8.765 1.00 3.88 H new ATOM 0 HB3 SER A 27 68.122 -14.760 7.056 1.00 3.88 H new ATOM 0 HG SER A 27 70.061 -14.228 8.236 1.00 4.25 H new ATOM 67 N ASN A 28 66.967 -12.676 5.090 1.00 1.86 N ATOM 68 CA ASN A 28 67.272 -12.108 3.780 1.00 1.90 C ATOM 69 C ASN A 28 67.070 -10.594 3.790 1.00 1.49 C ATOM 70 O ASN A 28 66.174 -10.085 4.463 1.00 2.29 O ATOM 71 CB ASN A 28 66.380 -12.751 2.713 1.00 2.82 C ATOM 72 CG ASN A 28 64.910 -12.448 2.992 1.00 3.50 C ATOM 73 OD1 ASN A 28 64.539 -12.154 4.129 1.00 3.69 O ATOM 74 ND2 ASN A 28 64.046 -12.498 2.016 1.00 4.39 N ATOM 0 H ASN A 28 66.259 -13.411 5.081 1.00 1.86 H new ATOM 0 HA ASN A 28 68.316 -12.314 3.545 1.00 1.90 H new ATOM 0 HB2 ASN A 28 66.654 -12.376 1.727 1.00 2.82 H new ATOM 0 HB3 ASN A 28 66.539 -13.829 2.699 1.00 2.82 H new ATOM 0 HD21 ASN A 28 63.063 -12.294 2.194 1.00 4.39 H new ATOM 0 HD22 ASN A 28 64.354 -12.742 1.074 1.00 4.39 H new ATOM 81 N GLY A 29 67.904 -9.882 3.040 1.00 0.74 N ATOM 82 CA GLY A 29 67.839 -8.425 3.024 1.00 0.29 C ATOM 83 C GLY A 29 68.589 -7.846 4.217 1.00 0.24 C ATOM 84 O GLY A 29 67.982 -7.340 5.161 1.00 0.28 O ATOM 0 H GLY A 29 68.625 -10.284 2.441 1.00 0.74 H new ATOM 0 HA2 GLY A 29 68.269 -8.046 2.097 1.00 0.29 H new ATOM 0 HA3 GLY A 29 66.799 -8.101 3.048 1.00 0.29 H new ATOM 88 N ARG A 30 69.915 -7.923 4.167 1.00 0.19 N ATOM 89 CA ARG A 30 70.739 -7.469 5.283 1.00 0.19 C ATOM 90 C ARG A 30 70.461 -5.999 5.585 1.00 0.15 C ATOM 91 O ARG A 30 70.147 -5.230 4.681 1.00 0.13 O ATOM 92 CB ARG A 30 72.220 -7.653 4.951 1.00 0.21 C ATOM 93 CG ARG A 30 72.519 -9.140 4.756 1.00 0.59 C ATOM 94 CD ARG A 30 74.019 -9.336 4.521 1.00 0.95 C ATOM 95 NE ARG A 30 74.294 -10.722 4.131 1.00 1.70 N ATOM 96 CZ ARG A 30 75.531 -11.231 4.032 1.00 2.16 C ATOM 97 NH1 ARG A 30 76.604 -10.517 4.278 1.00 2.37 N ATOM 98 NH2 ARG A 30 75.673 -12.479 3.681 1.00 2.74 N ATOM 0 H ARG A 30 70.439 -8.292 3.373 1.00 0.19 H new ATOM 0 HA ARG A 30 70.490 -8.065 6.161 1.00 0.19 H new ATOM 0 HB2 ARG A 30 72.472 -7.099 4.047 1.00 0.21 H new ATOM 0 HB3 ARG A 30 72.836 -7.250 5.754 1.00 0.21 H new ATOM 0 HG2 ARG A 30 72.202 -9.703 5.634 1.00 0.59 H new ATOM 0 HG3 ARG A 30 71.954 -9.527 3.908 1.00 0.59 H new ATOM 0 HD2 ARG A 30 74.364 -8.656 3.742 1.00 0.95 H new ATOM 0 HD3 ARG A 30 74.572 -9.089 5.427 1.00 0.95 H new ATOM 0 HE ARG A 30 73.503 -11.332 3.924 1.00 1.70 H new ATOM 0 HH11 ARG A 30 76.514 -9.540 4.555 1.00 2.37 H new ATOM 0 HH12 ARG A 30 77.528 -10.939 4.192 1.00 2.37 H new ATOM 0 HH21 ARG A 30 74.851 -13.051 3.487 1.00 2.74 H new ATOM 0 HH22 ARG A 30 76.606 -12.883 3.601 1.00 2.74 H new ATOM 112 N LYS A 31 70.534 -5.620 6.860 1.00 0.15 N ATOM 113 CA LYS A 31 70.367 -4.218 7.229 1.00 0.13 C ATOM 114 C LYS A 31 71.640 -3.428 6.921 1.00 0.11 C ATOM 115 O LYS A 31 72.745 -3.880 7.219 1.00 0.13 O ATOM 116 CB LYS A 31 69.975 -4.103 8.709 1.00 0.16 C ATOM 117 CG LYS A 31 71.130 -4.535 9.621 1.00 0.92 C ATOM 118 CD LYS A 31 70.659 -4.532 11.076 1.00 0.91 C ATOM 119 CE LYS A 31 71.867 -4.655 12.006 1.00 1.87 C ATOM 120 NZ LYS A 31 71.433 -4.436 13.415 1.00 2.29 N ATOM 0 H LYS A 31 70.705 -6.253 7.642 1.00 0.15 H new ATOM 0 HA LYS A 31 69.561 -3.787 6.635 1.00 0.13 H new ATOM 0 HB2 LYS A 31 69.694 -3.074 8.935 1.00 0.16 H new ATOM 0 HB3 LYS A 31 69.100 -4.723 8.906 1.00 0.16 H new ATOM 0 HG2 LYS A 31 71.476 -5.530 9.341 1.00 0.92 H new ATOM 0 HG3 LYS A 31 71.976 -3.858 9.500 1.00 0.92 H new ATOM 0 HD2 LYS A 31 70.114 -3.613 11.291 1.00 0.91 H new ATOM 0 HD3 LYS A 31 69.970 -5.359 11.247 1.00 0.91 H new ATOM 0 HE2 LYS A 31 72.320 -5.641 11.903 1.00 1.87 H new ATOM 0 HE3 LYS A 31 72.627 -3.924 11.731 1.00 1.87 H new ATOM 0 HZ1 LYS A 31 72.254 -4.519 14.048 1.00 2.29 H new ATOM 0 HZ2 LYS A 31 71.020 -3.486 13.507 1.00 2.29 H new ATOM 0 HZ3 LYS A 31 70.722 -5.149 13.674 1.00 2.29 H new ATOM 134 N VAL A 32 71.482 -2.248 6.322 1.00 0.09 N ATOM 135 CA VAL A 32 72.633 -1.409 5.988 1.00 0.09 C ATOM 136 C VAL A 32 72.376 0.051 6.358 1.00 0.08 C ATOM 137 O VAL A 32 71.321 0.609 6.057 1.00 0.08 O ATOM 138 CB VAL A 32 72.950 -1.530 4.490 1.00 0.10 C ATOM 139 CG1 VAL A 32 74.197 -0.713 4.142 1.00 0.12 C ATOM 140 CG2 VAL A 32 73.214 -2.998 4.143 1.00 0.11 C ATOM 0 H VAL A 32 70.578 -1.854 6.060 1.00 0.09 H new ATOM 0 HA VAL A 32 73.490 -1.756 6.566 1.00 0.09 H new ATOM 0 HB VAL A 32 72.100 -1.153 3.922 1.00 0.10 H new ATOM 0 HG11 VAL A 32 74.409 -0.809 3.077 1.00 0.12 H new ATOM 0 HG12 VAL A 32 74.025 0.335 4.385 1.00 0.12 H new ATOM 0 HG13 VAL A 32 75.046 -1.083 4.716 1.00 0.12 H new ATOM 0 HG21 VAL A 32 73.439 -3.086 3.080 1.00 0.11 H new ATOM 0 HG22 VAL A 32 74.061 -3.363 4.725 1.00 0.11 H new ATOM 0 HG23 VAL A 32 72.330 -3.592 4.377 1.00 0.11 H new ATOM 150 N ASP A 33 73.361 0.655 7.015 1.00 0.09 N ATOM 151 CA ASP A 33 73.309 2.070 7.368 1.00 0.08 C ATOM 152 C ASP A 33 73.519 2.945 6.133 1.00 0.08 C ATOM 153 O ASP A 33 74.237 2.565 5.209 1.00 0.10 O ATOM 154 CB ASP A 33 74.390 2.372 8.412 1.00 0.11 C ATOM 155 CG ASP A 33 74.114 1.604 9.703 1.00 0.74 C ATOM 156 OD1 ASP A 33 72.954 1.377 10.006 1.00 1.59 O ATOM 157 OD2 ASP A 33 75.072 1.253 10.373 1.00 0.47 O ATOM 0 H ASP A 33 74.213 0.181 7.316 1.00 0.09 H new ATOM 0 HA ASP A 33 72.326 2.294 7.781 1.00 0.08 H new ATOM 0 HB2 ASP A 33 75.369 2.097 8.020 1.00 0.11 H new ATOM 0 HB3 ASP A 33 74.417 3.442 8.617 1.00 0.11 H new ATOM 162 N TYR A 34 72.896 4.122 6.115 1.00 0.08 N ATOM 163 CA TYR A 34 73.032 5.036 4.983 1.00 0.09 C ATOM 164 C TYR A 34 74.504 5.314 4.667 1.00 0.11 C ATOM 165 O TYR A 34 74.891 5.382 3.500 1.00 0.13 O ATOM 166 CB TYR A 34 72.301 6.347 5.303 1.00 0.10 C ATOM 167 CG TYR A 34 72.461 7.431 4.260 1.00 0.15 C ATOM 168 CD1 TYR A 34 72.374 7.118 2.898 1.00 0.19 C ATOM 169 CD2 TYR A 34 72.707 8.752 4.659 1.00 0.18 C ATOM 170 CE1 TYR A 34 72.535 8.123 1.938 1.00 0.24 C ATOM 171 CE2 TYR A 34 72.865 9.758 3.697 1.00 0.24 C ATOM 172 CZ TYR A 34 72.778 9.442 2.335 1.00 0.27 C ATOM 173 OH TYR A 34 72.940 10.428 1.382 1.00 0.32 O ATOM 0 H TYR A 34 72.296 4.463 6.866 1.00 0.08 H new ATOM 0 HA TYR A 34 72.588 4.571 4.103 1.00 0.09 H new ATOM 0 HB2 TYR A 34 71.239 6.134 5.426 1.00 0.10 H new ATOM 0 HB3 TYR A 34 72.663 6.725 6.259 1.00 0.10 H new ATOM 0 HD1 TYR A 34 72.183 6.101 2.589 1.00 0.19 H new ATOM 0 HD2 TYR A 34 72.775 8.995 5.709 1.00 0.18 H new ATOM 0 HE1 TYR A 34 72.471 7.880 0.888 1.00 0.24 H new ATOM 0 HE2 TYR A 34 73.054 10.776 4.005 1.00 0.24 H new ATOM 0 HH TYR A 34 73.148 11.278 1.823 1.00 0.32 H new ATOM 183 N SER A 35 75.329 5.441 5.703 1.00 0.13 N ATOM 184 CA SER A 35 76.748 5.716 5.500 1.00 0.16 C ATOM 185 C SER A 35 77.393 4.610 4.671 1.00 0.16 C ATOM 186 O SER A 35 78.118 4.871 3.708 1.00 0.17 O ATOM 187 CB SER A 35 77.457 5.820 6.852 1.00 0.18 C ATOM 188 OG SER A 35 78.788 6.273 6.647 1.00 1.24 O ATOM 0 H SER A 35 75.044 5.359 6.679 1.00 0.13 H new ATOM 0 HA SER A 35 76.844 6.661 4.965 1.00 0.16 H new ATOM 0 HB2 SER A 35 76.922 6.510 7.505 1.00 0.18 H new ATOM 0 HB3 SER A 35 77.463 4.850 7.349 1.00 0.18 H new ATOM 0 HG SER A 35 79.246 6.343 7.510 1.00 1.24 H new ATOM 194 N THR A 36 77.087 3.366 5.024 1.00 0.15 N ATOM 195 CA THR A 36 77.677 2.226 4.329 1.00 0.16 C ATOM 196 C THR A 36 77.243 2.207 2.866 1.00 0.15 C ATOM 197 O THR A 36 78.048 1.922 1.979 1.00 0.17 O ATOM 198 CB THR A 36 77.272 0.921 5.017 1.00 0.16 C ATOM 199 OG1 THR A 36 77.614 0.989 6.394 1.00 0.18 O ATOM 200 CG2 THR A 36 78.006 -0.254 4.365 1.00 0.18 C ATOM 0 H THR A 36 76.443 3.122 5.777 1.00 0.15 H new ATOM 0 HA THR A 36 78.762 2.322 4.366 1.00 0.16 H new ATOM 0 HB THR A 36 76.197 0.775 4.915 1.00 0.16 H new ATOM 0 HG1 THR A 36 77.354 0.155 6.837 1.00 0.18 H new ATOM 0 HG21 THR A 36 77.716 -1.182 4.857 1.00 0.18 H new ATOM 0 HG22 THR A 36 77.744 -0.306 3.308 1.00 0.18 H new ATOM 0 HG23 THR A 36 79.082 -0.111 4.465 1.00 0.18 H new ATOM 208 N PHE A 37 75.980 2.539 2.612 1.00 0.13 N ATOM 209 CA PHE A 37 75.476 2.562 1.243 1.00 0.14 C ATOM 210 C PHE A 37 76.284 3.530 0.383 1.00 0.16 C ATOM 211 O PHE A 37 76.638 3.202 -0.749 1.00 0.17 O ATOM 212 CB PHE A 37 73.996 2.971 1.246 1.00 0.14 C ATOM 213 CG PHE A 37 73.395 3.132 -0.136 1.00 0.17 C ATOM 214 CD1 PHE A 37 72.806 2.041 -0.785 1.00 0.33 C ATOM 215 CD2 PHE A 37 73.445 4.380 -0.769 1.00 0.17 C ATOM 216 CE1 PHE A 37 72.265 2.201 -2.067 1.00 0.37 C ATOM 217 CE2 PHE A 37 72.905 4.539 -2.050 1.00 0.18 C ATOM 218 CZ PHE A 37 72.315 3.450 -2.699 1.00 0.25 C ATOM 0 H PHE A 37 75.296 2.792 3.325 1.00 0.13 H new ATOM 0 HA PHE A 37 75.576 1.563 0.818 1.00 0.14 H new ATOM 0 HB2 PHE A 37 73.424 2.222 1.794 1.00 0.14 H new ATOM 0 HB3 PHE A 37 73.891 3.911 1.788 1.00 0.14 H new ATOM 0 HD1 PHE A 37 72.769 1.078 -0.298 1.00 0.33 H new ATOM 0 HD2 PHE A 37 73.901 5.221 -0.268 1.00 0.17 H new ATOM 0 HE1 PHE A 37 71.809 1.360 -2.569 1.00 0.37 H new ATOM 0 HE2 PHE A 37 72.944 5.502 -2.537 1.00 0.18 H new ATOM 0 HZ PHE A 37 71.898 3.572 -3.688 1.00 0.25 H new ATOM 228 N LEU A 38 76.591 4.708 0.920 1.00 0.17 N ATOM 229 CA LEU A 38 77.329 5.705 0.153 1.00 0.21 C ATOM 230 C LEU A 38 78.696 5.171 -0.257 1.00 0.23 C ATOM 231 O LEU A 38 79.134 5.376 -1.388 1.00 0.25 O ATOM 232 CB LEU A 38 77.492 6.982 0.978 1.00 0.22 C ATOM 233 CG LEU A 38 76.111 7.557 1.302 1.00 0.21 C ATOM 234 CD1 LEU A 38 76.254 8.717 2.287 1.00 0.23 C ATOM 235 CD2 LEU A 38 75.453 8.066 0.017 1.00 0.23 C ATOM 0 H LEU A 38 76.345 4.992 1.868 1.00 0.17 H new ATOM 0 HA LEU A 38 76.764 5.931 -0.751 1.00 0.21 H new ATOM 0 HB2 LEU A 38 78.034 6.767 1.899 1.00 0.22 H new ATOM 0 HB3 LEU A 38 78.082 7.713 0.425 1.00 0.22 H new ATOM 0 HG LEU A 38 75.493 6.776 1.746 1.00 0.21 H new ATOM 0 HD11 LEU A 38 75.269 9.124 2.515 1.00 0.23 H new ATOM 0 HD12 LEU A 38 76.721 8.359 3.205 1.00 0.23 H new ATOM 0 HD13 LEU A 38 76.875 9.496 1.844 1.00 0.23 H new ATOM 0 HD21 LEU A 38 74.470 8.475 0.249 1.00 0.23 H new ATOM 0 HD22 LEU A 38 76.074 8.844 -0.426 1.00 0.23 H new ATOM 0 HD23 LEU A 38 75.346 7.242 -0.688 1.00 0.23 H new ATOM 247 N GLN A 39 79.355 4.461 0.655 1.00 0.23 N ATOM 248 CA GLN A 39 80.662 3.885 0.346 1.00 0.26 C ATOM 249 C GLN A 39 80.555 2.893 -0.810 1.00 0.24 C ATOM 250 O GLN A 39 81.365 2.905 -1.736 1.00 0.28 O ATOM 251 CB GLN A 39 81.232 3.180 1.578 1.00 0.27 C ATOM 252 CG GLN A 39 82.667 2.725 1.287 1.00 0.31 C ATOM 253 CD GLN A 39 83.289 2.060 2.515 1.00 0.67 C ATOM 254 OE1 GLN A 39 82.714 2.072 3.605 1.00 1.05 O ATOM 255 NE2 GLN A 39 84.448 1.471 2.401 1.00 1.10 N ATOM 0 H GLN A 39 79.014 4.273 1.598 1.00 0.23 H new ATOM 0 HA GLN A 39 81.331 4.694 0.052 1.00 0.26 H new ATOM 0 HB2 GLN A 39 81.219 3.854 2.435 1.00 0.27 H new ATOM 0 HB3 GLN A 39 80.613 2.322 1.838 1.00 0.27 H new ATOM 0 HG2 GLN A 39 82.668 2.026 0.450 1.00 0.31 H new ATOM 0 HG3 GLN A 39 83.271 3.582 0.988 1.00 0.31 H new ATOM 0 HE21 GLN A 39 84.927 1.459 1.501 1.00 1.10 H new ATOM 0 HE22 GLN A 39 84.874 1.023 3.212 1.00 1.10 H new ATOM 264 N GLU A 40 79.523 2.058 -0.773 1.00 0.21 N ATOM 265 CA GLU A 40 79.339 1.039 -1.802 1.00 0.21 C ATOM 266 C GLU A 40 79.107 1.671 -3.172 1.00 0.21 C ATOM 267 O GLU A 40 79.575 1.157 -4.190 1.00 0.23 O ATOM 268 CB GLU A 40 78.153 0.154 -1.421 1.00 0.18 C ATOM 269 CG GLU A 40 78.488 -0.593 -0.124 1.00 0.97 C ATOM 270 CD GLU A 40 77.366 -1.547 0.292 1.00 1.58 C ATOM 271 OE1 GLU A 40 76.279 -1.460 -0.259 1.00 1.63 O ATOM 272 OE2 GLU A 40 77.613 -2.360 1.167 1.00 2.35 O ATOM 0 H GLU A 40 78.805 2.065 -0.048 1.00 0.21 H new ATOM 0 HA GLU A 40 80.245 0.437 -1.866 1.00 0.21 H new ATOM 0 HB2 GLU A 40 77.258 0.761 -1.286 1.00 0.18 H new ATOM 0 HB3 GLU A 40 77.940 -0.556 -2.221 1.00 0.18 H new ATOM 0 HG2 GLU A 40 79.412 -1.156 -0.258 1.00 0.97 H new ATOM 0 HG3 GLU A 40 78.666 0.128 0.674 1.00 0.97 H new ATOM 279 N VAL A 41 78.353 2.765 -3.194 1.00 0.20 N ATOM 280 CA VAL A 41 78.141 3.515 -4.428 1.00 0.24 C ATOM 281 C VAL A 41 79.486 3.978 -4.991 1.00 0.28 C ATOM 282 O VAL A 41 79.772 3.785 -6.170 1.00 0.31 O ATOM 283 CB VAL A 41 77.233 4.722 -4.144 1.00 0.25 C ATOM 284 CG1 VAL A 41 77.006 5.539 -5.421 1.00 0.30 C ATOM 285 CG2 VAL A 41 75.876 4.238 -3.626 1.00 0.22 C ATOM 0 H VAL A 41 77.881 3.151 -2.377 1.00 0.20 H new ATOM 0 HA VAL A 41 77.658 2.875 -5.166 1.00 0.24 H new ATOM 0 HB VAL A 41 77.721 5.347 -3.396 1.00 0.25 H new ATOM 0 HG11 VAL A 41 76.361 6.389 -5.199 1.00 0.30 H new ATOM 0 HG12 VAL A 41 77.963 5.899 -5.798 1.00 0.30 H new ATOM 0 HG13 VAL A 41 76.532 4.911 -6.175 1.00 0.30 H new ATOM 0 HG21 VAL A 41 75.235 5.097 -3.426 1.00 0.22 H new ATOM 0 HG22 VAL A 41 75.406 3.602 -4.376 1.00 0.22 H new ATOM 0 HG23 VAL A 41 76.019 3.670 -2.707 1.00 0.22 H new ATOM 295 N ASN A 42 80.325 4.549 -4.134 1.00 0.30 N ATOM 296 CA ASN A 42 81.652 4.993 -4.558 1.00 0.35 C ATOM 297 C ASN A 42 82.471 3.840 -5.145 1.00 0.36 C ATOM 298 O ASN A 42 83.280 4.045 -6.049 1.00 0.41 O ATOM 299 CB ASN A 42 82.392 5.609 -3.369 1.00 0.36 C ATOM 300 CG ASN A 42 81.668 6.871 -2.910 1.00 0.37 C ATOM 301 OD1 ASN A 42 81.329 7.004 -1.656 1.00 0.41 O flip ATOM 302 ND2 ASN A 42 81.394 7.757 -3.720 1.00 0.33 N flip ATOM 0 H ASN A 42 80.115 4.715 -3.150 1.00 0.30 H new ATOM 0 HA ASN A 42 81.525 5.741 -5.340 1.00 0.35 H new ATOM 0 HB2 ASN A 42 82.446 4.891 -2.551 1.00 0.36 H new ATOM 0 HB3 ASN A 42 83.417 5.849 -3.651 1.00 0.36 H new ATOM 0 HD21 ASN A 42 81.659 7.652 -4.699 1.00 0.33 H new ATOM 0 HD22 ASN A 42 80.902 8.596 -3.412 1.00 0.33 H new ATOM 309 N ASN A 43 82.258 2.632 -4.629 1.00 0.33 N ATOM 310 CA ASN A 43 82.958 1.448 -5.131 1.00 0.35 C ATOM 311 C ASN A 43 82.300 0.835 -6.377 1.00 0.33 C ATOM 312 O ASN A 43 82.702 -0.245 -6.812 1.00 0.34 O ATOM 313 CB ASN A 43 83.038 0.390 -4.029 1.00 0.33 C ATOM 314 CG ASN A 43 83.855 0.918 -2.855 1.00 0.36 C ATOM 315 OD1 ASN A 43 84.736 1.759 -3.038 1.00 0.40 O ATOM 316 ND2 ASN A 43 83.611 0.476 -1.652 1.00 0.35 N ATOM 0 H ASN A 43 81.608 2.445 -3.865 1.00 0.33 H new ATOM 0 HA ASN A 43 83.955 1.777 -5.425 1.00 0.35 H new ATOM 0 HB2 ASN A 43 82.035 0.125 -3.694 1.00 0.33 H new ATOM 0 HB3 ASN A 43 83.494 -0.520 -4.420 1.00 0.33 H new ATOM 0 HD21 ASN A 43 84.150 0.827 -0.861 1.00 0.35 H new ATOM 0 HD22 ASN A 43 82.881 -0.220 -1.503 1.00 0.35 H new ATOM 323 N ASP A 44 81.292 1.497 -6.945 1.00 0.31 N ATOM 324 CA ASP A 44 80.620 1.010 -8.147 1.00 0.30 C ATOM 325 C ASP A 44 80.193 -0.451 -8.009 1.00 0.26 C ATOM 326 O ASP A 44 80.212 -1.205 -8.984 1.00 0.27 O ATOM 327 CB ASP A 44 81.552 1.169 -9.351 1.00 0.36 C ATOM 328 CG ASP A 44 80.792 0.895 -10.644 1.00 0.37 C ATOM 329 OD1 ASP A 44 80.087 1.785 -11.092 1.00 0.68 O ATOM 330 OD2 ASP A 44 80.929 -0.196 -11.171 1.00 0.74 O ATOM 0 H ASP A 44 80.922 2.378 -6.588 1.00 0.31 H new ATOM 0 HA ASP A 44 79.717 1.603 -8.292 1.00 0.30 H new ATOM 0 HB2 ASP A 44 81.965 2.178 -9.370 1.00 0.36 H new ATOM 0 HB3 ASP A 44 82.393 0.482 -9.262 1.00 0.36 H new ATOM 335 N GLN A 45 79.801 -0.851 -6.801 1.00 0.23 N ATOM 336 CA GLN A 45 79.301 -2.210 -6.590 1.00 0.22 C ATOM 337 C GLN A 45 77.778 -2.302 -6.749 1.00 0.17 C ATOM 338 O GLN A 45 77.254 -3.370 -7.062 1.00 0.17 O ATOM 339 CB GLN A 45 79.725 -2.725 -5.208 1.00 0.26 C ATOM 340 CG GLN A 45 81.254 -2.789 -5.124 1.00 0.32 C ATOM 341 CD GLN A 45 81.810 -3.750 -6.173 1.00 0.62 C ATOM 342 OE1 GLN A 45 81.420 -4.917 -6.215 1.00 0.99 O ATOM 343 NE2 GLN A 45 82.685 -3.319 -7.039 1.00 0.66 N ATOM 0 H GLN A 45 79.818 -0.266 -5.966 1.00 0.23 H new ATOM 0 HA GLN A 45 79.744 -2.840 -7.361 1.00 0.22 H new ATOM 0 HB2 GLN A 45 79.336 -2.068 -4.430 1.00 0.26 H new ATOM 0 HB3 GLN A 45 79.300 -3.713 -5.032 1.00 0.26 H new ATOM 0 HG2 GLN A 45 81.674 -1.795 -5.275 1.00 0.32 H new ATOM 0 HG3 GLN A 45 81.556 -3.115 -4.128 1.00 0.32 H new ATOM 0 HE21 GLN A 45 83.006 -2.352 -7.001 1.00 0.66 H new ATOM 0 HE22 GLN A 45 83.048 -3.949 -7.754 1.00 0.66 H new ATOM 352 N VAL A 46 77.067 -1.195 -6.535 1.00 0.16 N ATOM 353 CA VAL A 46 75.608 -1.195 -6.636 1.00 0.14 C ATOM 354 C VAL A 46 75.177 -1.099 -8.098 1.00 0.14 C ATOM 355 O VAL A 46 75.816 -0.403 -8.886 1.00 0.16 O ATOM 356 CB VAL A 46 75.020 -0.013 -5.851 1.00 0.17 C ATOM 357 CG1 VAL A 46 73.493 -0.111 -5.849 1.00 0.19 C ATOM 358 CG2 VAL A 46 75.524 -0.026 -4.403 1.00 0.18 C ATOM 0 H VAL A 46 77.475 -0.292 -6.292 1.00 0.16 H new ATOM 0 HA VAL A 46 75.235 -2.128 -6.213 1.00 0.14 H new ATOM 0 HB VAL A 46 75.335 0.914 -6.330 1.00 0.17 H new ATOM 0 HG11 VAL A 46 73.075 0.728 -5.292 1.00 0.19 H new ATOM 0 HG12 VAL A 46 73.125 -0.084 -6.875 1.00 0.19 H new ATOM 0 HG13 VAL A 46 73.189 -1.046 -5.379 1.00 0.19 H new ATOM 0 HG21 VAL A 46 75.097 0.818 -3.862 1.00 0.18 H new ATOM 0 HG22 VAL A 46 75.222 -0.956 -3.921 1.00 0.18 H new ATOM 0 HG23 VAL A 46 76.611 0.050 -4.396 1.00 0.18 H new ATOM 368 N ARG A 47 74.096 -1.792 -8.469 1.00 0.13 N ATOM 369 CA ARG A 47 73.573 -1.703 -9.837 1.00 0.15 C ATOM 370 C ARG A 47 72.156 -1.127 -9.858 1.00 0.15 C ATOM 371 O ARG A 47 71.824 -0.313 -10.721 1.00 0.17 O ATOM 372 CB ARG A 47 73.596 -3.078 -10.525 1.00 0.15 C ATOM 373 CG ARG A 47 72.621 -4.054 -9.858 1.00 0.17 C ATOM 374 CD ARG A 47 72.787 -5.442 -10.473 1.00 0.18 C ATOM 375 NE ARG A 47 71.779 -6.360 -9.936 1.00 0.21 N ATOM 376 CZ ARG A 47 71.811 -7.689 -10.126 1.00 1.11 C ATOM 377 NH1 ARG A 47 72.758 -8.274 -10.818 1.00 2.22 N ATOM 378 NH2 ARG A 47 70.866 -8.422 -9.604 1.00 1.07 N ATOM 0 H ARG A 47 73.572 -2.412 -7.852 1.00 0.13 H new ATOM 0 HA ARG A 47 74.224 -1.025 -10.389 1.00 0.15 H new ATOM 0 HB2 ARG A 47 73.336 -2.964 -11.577 1.00 0.15 H new ATOM 0 HB3 ARG A 47 74.605 -3.488 -10.488 1.00 0.15 H new ATOM 0 HG2 ARG A 47 72.809 -4.095 -8.785 1.00 0.17 H new ATOM 0 HG3 ARG A 47 71.596 -3.707 -9.989 1.00 0.17 H new ATOM 0 HD2 ARG A 47 72.692 -5.381 -11.557 1.00 0.18 H new ATOM 0 HD3 ARG A 47 73.786 -5.824 -10.262 1.00 0.18 H new ATOM 0 HE ARG A 47 71.012 -5.969 -9.389 1.00 0.21 H new ATOM 0 HH11 ARG A 47 73.504 -7.717 -11.234 1.00 2.22 H new ATOM 0 HH12 ARG A 47 72.749 -9.287 -10.941 1.00 2.22 H new ATOM 0 HH21 ARG A 47 70.121 -7.984 -9.063 1.00 1.07 H new ATOM 0 HH22 ARG A 47 70.873 -9.433 -9.737 1.00 1.07 H new ATOM 392 N GLU A 48 71.319 -1.563 -8.917 1.00 0.14 N ATOM 393 CA GLU A 48 69.912 -1.159 -8.909 1.00 0.14 C ATOM 394 C GLU A 48 69.498 -0.600 -7.550 1.00 0.13 C ATOM 395 O GLU A 48 69.829 -1.170 -6.511 1.00 0.18 O ATOM 396 CB GLU A 48 69.036 -2.368 -9.250 1.00 0.16 C ATOM 397 CG GLU A 48 67.575 -1.924 -9.396 1.00 0.17 C ATOM 398 CD GLU A 48 66.639 -3.111 -9.651 1.00 0.61 C ATOM 399 OE1 GLU A 48 67.099 -4.244 -9.681 1.00 1.08 O ATOM 400 OE2 GLU A 48 65.455 -2.865 -9.816 1.00 0.59 O ATOM 0 H GLU A 48 71.586 -2.189 -8.158 1.00 0.14 H new ATOM 0 HA GLU A 48 69.779 -0.373 -9.653 1.00 0.14 H new ATOM 0 HB2 GLU A 48 69.380 -2.829 -10.176 1.00 0.16 H new ATOM 0 HB3 GLU A 48 69.120 -3.122 -8.468 1.00 0.16 H new ATOM 0 HG2 GLU A 48 67.262 -1.403 -8.491 1.00 0.17 H new ATOM 0 HG3 GLU A 48 67.492 -1.213 -10.218 1.00 0.17 H new ATOM 407 N ALA A 49 68.744 0.497 -7.575 1.00 0.12 N ATOM 408 CA ALA A 49 68.228 1.092 -6.346 1.00 0.13 C ATOM 409 C ALA A 49 66.771 1.522 -6.514 1.00 0.11 C ATOM 410 O ALA A 49 66.446 2.386 -7.330 1.00 0.12 O ATOM 411 CB ALA A 49 69.078 2.302 -5.955 1.00 0.18 C ATOM 0 H ALA A 49 68.478 0.989 -8.428 1.00 0.12 H new ATOM 0 HA ALA A 49 68.278 0.340 -5.558 1.00 0.13 H new ATOM 0 HB1 ALA A 49 68.686 2.740 -5.037 1.00 0.18 H new ATOM 0 HB2 ALA A 49 70.109 1.986 -5.795 1.00 0.18 H new ATOM 0 HB3 ALA A 49 69.045 3.043 -6.754 1.00 0.18 H new ATOM 417 N ARG A 50 65.887 0.883 -5.755 1.00 0.12 N ATOM 418 CA ARG A 50 64.482 1.270 -5.726 1.00 0.13 C ATOM 419 C ARG A 50 64.228 2.242 -4.578 1.00 0.16 C ATOM 420 O ARG A 50 64.690 2.014 -3.461 1.00 0.21 O ATOM 421 CB ARG A 50 63.612 0.027 -5.534 1.00 0.16 C ATOM 422 CG ARG A 50 63.721 -0.874 -6.765 1.00 0.16 C ATOM 423 CD ARG A 50 62.780 -2.068 -6.611 1.00 0.22 C ATOM 424 NE ARG A 50 63.018 -3.042 -7.680 1.00 1.33 N ATOM 425 CZ ARG A 50 62.730 -4.348 -7.571 1.00 2.05 C ATOM 426 NH1 ARG A 50 62.205 -4.860 -6.484 1.00 2.44 N ATOM 427 NH2 ARG A 50 62.980 -5.135 -8.582 1.00 2.82 N ATOM 0 H ARG A 50 66.119 0.094 -5.151 1.00 0.12 H new ATOM 0 HA ARG A 50 64.231 1.755 -6.669 1.00 0.13 H new ATOM 0 HB2 ARG A 50 63.929 -0.517 -4.644 1.00 0.16 H new ATOM 0 HB3 ARG A 50 62.574 0.319 -5.376 1.00 0.16 H new ATOM 0 HG2 ARG A 50 63.467 -0.312 -7.663 1.00 0.16 H new ATOM 0 HG3 ARG A 50 64.748 -1.220 -6.885 1.00 0.16 H new ATOM 0 HD2 ARG A 50 62.934 -2.538 -5.640 1.00 0.22 H new ATOM 0 HD3 ARG A 50 61.744 -1.730 -6.641 1.00 0.22 H new ATOM 0 HE ARG A 50 63.425 -2.709 -8.554 1.00 1.33 H new ATOM 0 HH11 ARG A 50 62.002 -4.260 -5.684 1.00 2.44 H new ATOM 0 HH12 ARG A 50 62.000 -5.858 -6.438 1.00 2.44 H new ATOM 0 HH21 ARG A 50 63.387 -4.754 -9.436 1.00 2.82 H new ATOM 0 HH22 ARG A 50 62.768 -6.131 -8.518 1.00 2.82 H new ATOM 441 N ILE A 51 63.443 3.286 -4.834 1.00 0.16 N ATOM 442 CA ILE A 51 63.132 4.277 -3.805 1.00 0.18 C ATOM 443 C ILE A 51 61.652 4.213 -3.429 1.00 0.13 C ATOM 444 O ILE A 51 60.777 4.398 -4.276 1.00 0.19 O ATOM 445 CB ILE A 51 63.477 5.681 -4.325 1.00 0.30 C ATOM 446 CG1 ILE A 51 64.956 5.737 -4.718 1.00 0.41 C ATOM 447 CG2 ILE A 51 63.210 6.730 -3.241 1.00 0.34 C ATOM 448 CD1 ILE A 51 65.254 7.068 -5.412 1.00 0.56 C ATOM 0 H ILE A 51 63.012 3.468 -5.740 1.00 0.16 H new ATOM 0 HA ILE A 51 63.725 4.060 -2.916 1.00 0.18 H new ATOM 0 HB ILE A 51 62.853 5.893 -5.193 1.00 0.30 H new ATOM 0 HG12 ILE A 51 65.582 5.629 -3.832 1.00 0.41 H new ATOM 0 HG13 ILE A 51 65.198 4.907 -5.382 1.00 0.41 H new ATOM 0 HG21 ILE A 51 63.459 7.720 -3.623 1.00 0.34 H new ATOM 0 HG22 ILE A 51 62.157 6.704 -2.961 1.00 0.34 H new ATOM 0 HG23 ILE A 51 63.824 6.514 -2.367 1.00 0.34 H new ATOM 0 HD11 ILE A 51 66.307 7.105 -5.691 1.00 0.56 H new ATOM 0 HD12 ILE A 51 64.638 7.157 -6.307 1.00 0.56 H new ATOM 0 HD13 ILE A 51 65.029 7.891 -4.733 1.00 0.56 H new ATOM 460 N ASN A 52 61.389 4.003 -2.142 1.00 0.17 N ATOM 461 CA ASN A 52 60.026 3.983 -1.628 1.00 0.18 C ATOM 462 C ASN A 52 59.978 4.714 -0.291 1.00 0.16 C ATOM 463 O ASN A 52 60.312 4.146 0.751 1.00 0.16 O ATOM 464 CB ASN A 52 59.557 2.539 -1.442 1.00 0.25 C ATOM 465 CG ASN A 52 58.072 2.508 -1.098 1.00 0.34 C ATOM 466 OD1 ASN A 52 57.191 2.415 -2.055 1.00 0.88 O flip ATOM 467 ND2 ASN A 52 57.704 2.560 0.077 1.00 0.76 N flip ATOM 0 H ASN A 52 62.106 3.844 -1.435 1.00 0.17 H new ATOM 0 HA ASN A 52 59.367 4.480 -2.340 1.00 0.18 H new ATOM 0 HB2 ASN A 52 59.739 1.970 -2.354 1.00 0.25 H new ATOM 0 HB3 ASN A 52 60.132 2.062 -0.648 1.00 0.25 H new ATOM 0 HD21 ASN A 52 58.394 2.633 0.825 1.00 0.76 H new ATOM 0 HD22 ASN A 52 56.710 2.530 0.302 1.00 0.76 H new ATOM 474 N GLY A 53 59.599 5.987 -0.326 1.00 0.17 N ATOM 475 CA GLY A 53 59.549 6.785 0.893 1.00 0.19 C ATOM 476 C GLY A 53 60.934 6.904 1.518 1.00 0.19 C ATOM 477 O GLY A 53 61.908 7.229 0.840 1.00 0.21 O ATOM 0 H GLY A 53 59.325 6.483 -1.174 1.00 0.17 H new ATOM 0 HA2 GLY A 53 59.160 7.778 0.667 1.00 0.19 H new ATOM 0 HA3 GLY A 53 58.862 6.328 1.605 1.00 0.19 H new ATOM 481 N ARG A 54 61.013 6.636 2.818 1.00 0.19 N ATOM 482 CA ARG A 54 62.283 6.717 3.539 1.00 0.20 C ATOM 483 C ARG A 54 63.198 5.516 3.261 1.00 0.20 C ATOM 484 O ARG A 54 64.395 5.583 3.537 1.00 0.21 O ATOM 485 CB ARG A 54 62.026 6.813 5.044 1.00 0.22 C ATOM 486 CG ARG A 54 63.301 7.259 5.764 1.00 0.24 C ATOM 487 CD ARG A 54 63.020 7.402 7.260 1.00 0.27 C ATOM 488 NE ARG A 54 62.804 6.082 7.859 1.00 0.25 N ATOM 489 CZ ARG A 54 62.058 5.879 8.955 1.00 0.38 C ATOM 490 NH1 ARG A 54 61.457 6.861 9.584 1.00 0.62 N ATOM 491 NH2 ARG A 54 61.925 4.664 9.412 1.00 0.41 N ATOM 0 H ARG A 54 60.217 6.362 3.394 1.00 0.19 H new ATOM 0 HA ARG A 54 62.792 7.612 3.181 1.00 0.20 H new ATOM 0 HB2 ARG A 54 61.221 7.521 5.240 1.00 0.22 H new ATOM 0 HB3 ARG A 54 61.700 5.846 5.428 1.00 0.22 H new ATOM 0 HG2 ARG A 54 64.097 6.532 5.601 1.00 0.24 H new ATOM 0 HG3 ARG A 54 63.648 8.208 5.356 1.00 0.24 H new ATOM 0 HD2 ARG A 54 63.857 7.900 7.749 1.00 0.27 H new ATOM 0 HD3 ARG A 54 62.142 8.029 7.415 1.00 0.27 H new ATOM 0 HE ARG A 54 63.245 5.274 7.419 1.00 0.25 H new ATOM 0 HH11 ARG A 54 61.549 7.818 9.242 1.00 0.62 H new ATOM 0 HH12 ARG A 54 60.898 6.668 10.415 1.00 0.62 H new ATOM 0 HH21 ARG A 54 62.385 3.887 8.937 1.00 0.41 H new ATOM 0 HH22 ARG A 54 61.361 4.491 10.244 1.00 0.41 H new ATOM 505 N GLU A 55 62.650 4.416 2.739 1.00 0.21 N ATOM 506 CA GLU A 55 63.427 3.192 2.577 1.00 0.23 C ATOM 507 C GLU A 55 63.863 3.002 1.129 1.00 0.21 C ATOM 508 O GLU A 55 63.109 3.280 0.200 1.00 0.23 O ATOM 509 CB GLU A 55 62.586 1.989 3.009 1.00 0.25 C ATOM 510 CG GLU A 55 62.216 2.124 4.490 1.00 0.93 C ATOM 511 CD GLU A 55 61.445 0.900 4.997 1.00 1.83 C ATOM 512 OE1 GLU A 55 61.044 0.071 4.193 1.00 2.29 O ATOM 513 OE2 GLU A 55 61.262 0.812 6.201 1.00 2.44 O ATOM 0 H GLU A 55 61.682 4.351 2.425 1.00 0.21 H new ATOM 0 HA GLU A 55 64.318 3.272 3.200 1.00 0.23 H new ATOM 0 HB2 GLU A 55 61.682 1.928 2.402 1.00 0.25 H new ATOM 0 HB3 GLU A 55 63.143 1.066 2.846 1.00 0.25 H new ATOM 0 HG2 GLU A 55 63.123 2.253 5.081 1.00 0.93 H new ATOM 0 HG3 GLU A 55 61.612 3.020 4.634 1.00 0.93 H new ATOM 520 N ILE A 56 65.095 2.543 0.947 1.00 0.18 N ATOM 521 CA ILE A 56 65.597 2.194 -0.380 1.00 0.17 C ATOM 522 C ILE A 56 65.974 0.716 -0.398 1.00 0.15 C ATOM 523 O ILE A 56 66.672 0.244 0.499 1.00 0.13 O ATOM 524 CB ILE A 56 66.829 3.040 -0.723 1.00 0.18 C ATOM 525 CG1 ILE A 56 66.481 4.529 -0.625 1.00 0.20 C ATOM 526 CG2 ILE A 56 67.294 2.731 -2.150 1.00 0.18 C ATOM 527 CD1 ILE A 56 67.755 5.366 -0.766 1.00 0.22 C ATOM 0 H ILE A 56 65.767 2.403 1.701 1.00 0.18 H new ATOM 0 HA ILE A 56 64.820 2.390 -1.119 1.00 0.17 H new ATOM 0 HB ILE A 56 67.625 2.801 -0.018 1.00 0.18 H new ATOM 0 HG12 ILE A 56 65.769 4.798 -1.405 1.00 0.20 H new ATOM 0 HG13 ILE A 56 66.001 4.738 0.331 1.00 0.20 H new ATOM 0 HG21 ILE A 56 68.169 3.336 -2.386 1.00 0.18 H new ATOM 0 HG22 ILE A 56 67.551 1.675 -2.228 1.00 0.18 H new ATOM 0 HG23 ILE A 56 66.493 2.963 -2.852 1.00 0.18 H new ATOM 0 HD11 ILE A 56 67.505 6.425 -0.696 1.00 0.22 H new ATOM 0 HD12 ILE A 56 68.452 5.105 0.030 1.00 0.22 H new ATOM 0 HD13 ILE A 56 68.217 5.166 -1.733 1.00 0.22 H new ATOM 539 N ASN A 57 65.520 -0.009 -1.415 1.00 0.16 N ATOM 540 CA ASN A 57 65.898 -1.413 -1.561 1.00 0.16 C ATOM 541 C ASN A 57 66.996 -1.519 -2.610 1.00 0.15 C ATOM 542 O ASN A 57 66.868 -0.968 -3.699 1.00 0.17 O ATOM 543 CB ASN A 57 64.688 -2.249 -1.984 1.00 0.19 C ATOM 544 CG ASN A 57 63.589 -2.147 -0.931 1.00 0.24 C ATOM 545 OD1 ASN A 57 63.891 -2.287 0.330 1.00 1.23 O flip ATOM 546 ND2 ASN A 57 62.424 -1.933 -1.268 1.00 0.96 N flip ATOM 0 H ASN A 57 64.898 0.345 -2.142 1.00 0.16 H new ATOM 0 HA ASN A 57 66.260 -1.794 -0.606 1.00 0.16 H new ATOM 0 HB2 ASN A 57 64.314 -1.901 -2.947 1.00 0.19 H new ATOM 0 HB3 ASN A 57 64.983 -3.290 -2.114 1.00 0.19 H new ATOM 0 HD21 ASN A 57 62.190 -1.824 -2.255 1.00 0.96 H new ATOM 0 HD22 ASN A 57 61.693 -1.865 -0.560 1.00 0.96 H new ATOM 553 N VAL A 58 68.070 -2.234 -2.291 1.00 0.14 N ATOM 554 CA VAL A 58 69.271 -2.197 -3.126 1.00 0.13 C ATOM 555 C VAL A 58 69.723 -3.605 -3.503 1.00 0.11 C ATOM 556 O VAL A 58 69.722 -4.514 -2.673 1.00 0.10 O ATOM 557 CB VAL A 58 70.409 -1.491 -2.377 1.00 0.14 C ATOM 558 CG1 VAL A 58 71.612 -1.320 -3.312 1.00 0.15 C ATOM 559 CG2 VAL A 58 69.962 -0.110 -1.877 1.00 0.16 C ATOM 0 H VAL A 58 68.137 -2.839 -1.473 1.00 0.14 H new ATOM 0 HA VAL A 58 69.028 -1.650 -4.037 1.00 0.13 H new ATOM 0 HB VAL A 58 70.685 -2.103 -1.519 1.00 0.14 H new ATOM 0 HG11 VAL A 58 72.419 -0.818 -2.778 1.00 0.15 H new ATOM 0 HG12 VAL A 58 71.953 -2.299 -3.649 1.00 0.15 H new ATOM 0 HG13 VAL A 58 71.320 -0.721 -4.175 1.00 0.15 H new ATOM 0 HG21 VAL A 58 70.786 0.370 -1.349 1.00 0.16 H new ATOM 0 HG22 VAL A 58 69.667 0.506 -2.726 1.00 0.16 H new ATOM 0 HG23 VAL A 58 69.116 -0.225 -1.200 1.00 0.16 H new ATOM 569 N THR A 59 70.119 -3.763 -4.763 1.00 0.12 N ATOM 570 CA THR A 59 70.710 -5.012 -5.233 1.00 0.12 C ATOM 571 C THR A 59 72.113 -4.753 -5.777 1.00 0.14 C ATOM 572 O THR A 59 72.321 -3.834 -6.573 1.00 0.15 O ATOM 573 CB THR A 59 69.836 -5.619 -6.333 1.00 0.15 C ATOM 574 OG1 THR A 59 68.509 -5.770 -5.850 1.00 0.15 O ATOM 575 CG2 THR A 59 70.390 -6.985 -6.740 1.00 0.17 C ATOM 0 H THR A 59 70.041 -3.040 -5.478 1.00 0.12 H new ATOM 0 HA THR A 59 70.773 -5.709 -4.398 1.00 0.12 H new ATOM 0 HB THR A 59 69.837 -4.959 -7.201 1.00 0.15 H new ATOM 0 HG1 THR A 59 67.947 -6.157 -6.553 1.00 0.15 H new ATOM 0 HG21 THR A 59 69.764 -7.413 -7.523 1.00 0.17 H new ATOM 0 HG22 THR A 59 71.408 -6.869 -7.112 1.00 0.17 H new ATOM 0 HG23 THR A 59 70.393 -7.649 -5.875 1.00 0.17 H new ATOM 583 N LYS A 60 73.077 -5.551 -5.321 1.00 0.15 N ATOM 584 CA LYS A 60 74.450 -5.440 -5.805 1.00 0.20 C ATOM 585 C LYS A 60 74.709 -6.363 -6.991 1.00 0.24 C ATOM 586 O LYS A 60 74.015 -7.359 -7.188 1.00 0.24 O ATOM 587 CB LYS A 60 75.432 -5.813 -4.694 1.00 0.21 C ATOM 588 CG LYS A 60 75.355 -4.793 -3.559 1.00 0.87 C ATOM 589 CD LYS A 60 76.439 -5.121 -2.526 1.00 0.89 C ATOM 590 CE LYS A 60 76.331 -4.195 -1.308 1.00 1.70 C ATOM 591 NZ LYS A 60 75.603 -4.899 -0.216 1.00 1.91 N ATOM 0 H LYS A 60 72.933 -6.278 -4.620 1.00 0.15 H new ATOM 0 HA LYS A 60 74.593 -4.406 -6.118 1.00 0.20 H new ATOM 0 HB2 LYS A 60 75.202 -6.809 -4.314 1.00 0.21 H new ATOM 0 HB3 LYS A 60 76.446 -5.850 -5.092 1.00 0.21 H new ATOM 0 HG2 LYS A 60 75.497 -3.785 -3.948 1.00 0.87 H new ATOM 0 HG3 LYS A 60 74.370 -4.820 -3.094 1.00 0.87 H new ATOM 0 HD2 LYS A 60 76.342 -6.159 -2.208 1.00 0.89 H new ATOM 0 HD3 LYS A 60 77.424 -5.017 -2.981 1.00 0.89 H new ATOM 0 HE2 LYS A 60 77.325 -3.904 -0.969 1.00 1.70 H new ATOM 0 HE3 LYS A 60 75.806 -3.279 -1.579 1.00 1.70 H new ATOM 0 HZ1 LYS A 60 74.703 -4.412 -0.029 1.00 1.91 H new ATOM 0 HZ2 LYS A 60 75.413 -5.881 -0.502 1.00 1.91 H new ATOM 0 HZ3 LYS A 60 76.184 -4.896 0.647 1.00 1.91 H new ATOM 605 N LYS A 61 75.755 -6.054 -7.747 1.00 0.31 N ATOM 606 CA LYS A 61 76.177 -6.921 -8.845 1.00 0.36 C ATOM 607 C LYS A 61 76.435 -8.352 -8.367 1.00 0.33 C ATOM 608 O LYS A 61 76.234 -9.305 -9.119 1.00 0.35 O ATOM 609 CB LYS A 61 77.448 -6.363 -9.489 1.00 0.46 C ATOM 610 CG LYS A 61 77.168 -4.959 -10.034 1.00 1.13 C ATOM 611 CD LYS A 61 78.341 -4.499 -10.904 1.00 1.08 C ATOM 612 CE LYS A 61 79.598 -4.351 -10.044 1.00 2.17 C ATOM 613 NZ LYS A 61 80.567 -3.450 -10.729 1.00 2.43 N ATOM 0 H LYS A 61 76.324 -5.217 -7.623 1.00 0.31 H new ATOM 0 HA LYS A 61 75.369 -6.947 -9.576 1.00 0.36 H new ATOM 0 HB2 LYS A 61 78.254 -6.327 -8.756 1.00 0.46 H new ATOM 0 HB3 LYS A 61 77.779 -7.019 -10.295 1.00 0.46 H new ATOM 0 HG2 LYS A 61 76.248 -4.962 -10.619 1.00 1.13 H new ATOM 0 HG3 LYS A 61 77.019 -4.262 -9.210 1.00 1.13 H new ATOM 0 HD2 LYS A 61 78.518 -5.220 -11.702 1.00 1.08 H new ATOM 0 HD3 LYS A 61 78.101 -3.548 -11.380 1.00 1.08 H new ATOM 0 HE2 LYS A 61 79.337 -3.945 -9.067 1.00 2.17 H new ATOM 0 HE3 LYS A 61 80.051 -5.327 -9.873 1.00 2.17 H new ATOM 0 HZ1 LYS A 61 81.510 -3.888 -10.726 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 80.261 -3.293 -11.711 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 80.607 -2.539 -10.229 1.00 2.43 H new ATOM 627 N ASP A 62 76.878 -8.506 -7.121 1.00 0.29 N ATOM 628 CA ASP A 62 77.202 -9.829 -6.588 1.00 0.30 C ATOM 629 C ASP A 62 75.962 -10.621 -6.151 1.00 0.28 C ATOM 630 O ASP A 62 76.089 -11.623 -5.446 1.00 0.30 O ATOM 631 CB ASP A 62 78.150 -9.679 -5.394 1.00 0.32 C ATOM 632 CG ASP A 62 78.722 -11.035 -4.988 1.00 0.40 C ATOM 633 OD1 ASP A 62 78.884 -11.879 -5.855 1.00 0.81 O ATOM 634 OD2 ASP A 62 78.991 -11.209 -3.810 1.00 1.11 O ATOM 0 H ASP A 62 77.020 -7.738 -6.465 1.00 0.29 H new ATOM 0 HA ASP A 62 77.675 -10.390 -7.394 1.00 0.30 H new ATOM 0 HB2 ASP A 62 78.962 -8.998 -5.650 1.00 0.32 H new ATOM 0 HB3 ASP A 62 77.617 -9.237 -4.553 1.00 0.32 H new ATOM 639 N SER A 63 74.764 -10.188 -6.558 1.00 0.26 N ATOM 640 CA SER A 63 73.519 -10.892 -6.228 1.00 0.28 C ATOM 641 C SER A 63 73.116 -10.757 -4.753 1.00 0.24 C ATOM 642 O SER A 63 72.055 -11.250 -4.367 1.00 0.26 O ATOM 643 CB SER A 63 73.616 -12.379 -6.590 1.00 0.36 C ATOM 644 OG SER A 63 72.307 -12.929 -6.654 1.00 1.09 O ATOM 0 H SER A 63 74.630 -9.348 -7.120 1.00 0.26 H new ATOM 0 HA SER A 63 72.744 -10.412 -6.825 1.00 0.28 H new ATOM 0 HB2 SER A 63 74.122 -12.500 -7.548 1.00 0.36 H new ATOM 0 HB3 SER A 63 74.211 -12.909 -5.846 1.00 0.36 H new ATOM 0 HG SER A 63 71.765 -12.569 -5.921 1.00 1.09 H new ATOM 650 N ASN A 64 73.938 -10.105 -3.928 1.00 0.20 N ATOM 651 CA ASN A 64 73.583 -9.884 -2.530 1.00 0.18 C ATOM 652 C ASN A 64 72.513 -8.802 -2.432 1.00 0.15 C ATOM 653 O ASN A 64 72.614 -7.764 -3.085 1.00 0.14 O ATOM 654 CB ASN A 64 74.821 -9.454 -1.740 1.00 0.19 C ATOM 655 CG ASN A 64 75.865 -10.567 -1.741 1.00 0.24 C ATOM 656 OD1 ASN A 64 75.536 -11.735 -1.949 1.00 0.85 O ATOM 657 ND2 ASN A 64 77.117 -10.272 -1.519 1.00 0.87 N ATOM 0 H ASN A 64 74.844 -9.725 -4.202 1.00 0.20 H new ATOM 0 HA ASN A 64 73.195 -10.813 -2.112 1.00 0.18 H new ATOM 0 HB2 ASN A 64 75.244 -8.550 -2.178 1.00 0.19 H new ATOM 0 HB3 ASN A 64 74.540 -9.211 -0.715 1.00 0.19 H new ATOM 0 HD21 ASN A 64 77.822 -11.009 -1.518 1.00 0.87 H new ATOM 0 HD22 ASN A 64 77.390 -9.304 -1.347 1.00 0.87 H new ATOM 664 N ARG A 65 71.484 -9.049 -1.626 1.00 0.15 N ATOM 665 CA ARG A 65 70.398 -8.083 -1.471 1.00 0.14 C ATOM 666 C ARG A 65 70.389 -7.493 -0.064 1.00 0.12 C ATOM 667 O ARG A 65 70.642 -8.188 0.924 1.00 0.14 O ATOM 668 CB ARG A 65 69.058 -8.773 -1.734 1.00 0.18 C ATOM 669 CG ARG A 65 69.017 -9.280 -3.178 1.00 0.21 C ATOM 670 CD ARG A 65 67.642 -9.882 -3.468 1.00 0.51 C ATOM 671 NE ARG A 65 67.648 -10.555 -4.770 1.00 1.47 N ATOM 672 CZ ARG A 65 66.535 -10.966 -5.396 1.00 2.00 C ATOM 673 NH1 ARG A 65 65.341 -10.795 -4.883 1.00 2.52 N ATOM 674 NH2 ARG A 65 66.645 -11.557 -6.555 1.00 2.51 N ATOM 0 H ARG A 65 71.378 -9.901 -1.075 1.00 0.15 H new ATOM 0 HA ARG A 65 70.552 -7.276 -2.188 1.00 0.14 H new ATOM 0 HB2 ARG A 65 68.923 -9.604 -1.042 1.00 0.18 H new ATOM 0 HB3 ARG A 65 68.238 -8.076 -1.559 1.00 0.18 H new ATOM 0 HG2 ARG A 65 69.220 -8.461 -3.868 1.00 0.21 H new ATOM 0 HG3 ARG A 65 69.794 -10.029 -3.334 1.00 0.21 H new ATOM 0 HD2 ARG A 65 67.375 -10.592 -2.685 1.00 0.51 H new ATOM 0 HD3 ARG A 65 66.885 -9.098 -3.459 1.00 0.51 H new ATOM 0 HE ARG A 65 68.546 -10.720 -5.224 1.00 1.47 H new ATOM 0 HH11 ARG A 65 65.236 -10.336 -3.978 1.00 2.52 H new ATOM 0 HH12 ARG A 65 64.517 -11.121 -5.389 1.00 2.52 H new ATOM 0 HH21 ARG A 65 67.566 -11.699 -6.970 1.00 2.51 H new ATOM 0 HH22 ARG A 65 65.810 -11.876 -7.046 1.00 2.51 H new ATOM 688 N TYR A 66 70.068 -6.207 0.022 1.00 0.10 N ATOM 689 CA TYR A 66 70.002 -5.540 1.316 1.00 0.10 C ATOM 690 C TYR A 66 69.043 -4.354 1.282 1.00 0.09 C ATOM 691 O TYR A 66 68.640 -3.893 0.216 1.00 0.10 O ATOM 692 CB TYR A 66 71.404 -5.091 1.742 1.00 0.10 C ATOM 693 CG TYR A 66 71.966 -3.925 0.960 1.00 0.09 C ATOM 694 CD1 TYR A 66 71.738 -2.613 1.395 1.00 0.09 C ATOM 695 CD2 TYR A 66 72.736 -4.157 -0.185 1.00 0.12 C ATOM 696 CE1 TYR A 66 72.282 -1.536 0.689 1.00 0.12 C ATOM 697 CE2 TYR A 66 73.277 -3.079 -0.895 1.00 0.15 C ATOM 698 CZ TYR A 66 73.051 -1.768 -0.457 1.00 0.15 C ATOM 699 OH TYR A 66 73.593 -0.706 -1.151 1.00 0.19 O ATOM 0 H TYR A 66 69.852 -5.612 -0.778 1.00 0.10 H new ATOM 0 HA TYR A 66 69.618 -6.250 2.049 1.00 0.10 H new ATOM 0 HB2 TYR A 66 71.378 -4.822 2.798 1.00 0.10 H new ATOM 0 HB3 TYR A 66 72.085 -5.936 1.645 1.00 0.10 H new ATOM 0 HD1 TYR A 66 71.141 -2.433 2.277 1.00 0.09 H new ATOM 0 HD2 TYR A 66 72.913 -5.168 -0.521 1.00 0.12 H new ATOM 0 HE1 TYR A 66 72.109 -0.525 1.028 1.00 0.12 H new ATOM 0 HE2 TYR A 66 73.869 -3.258 -1.781 1.00 0.15 H new ATOM 0 HH TYR A 66 72.914 -0.009 -1.264 1.00 0.19 H new ATOM 709 N THR A 67 68.684 -3.870 2.466 1.00 0.09 N ATOM 710 CA THR A 67 67.799 -2.717 2.589 1.00 0.10 C ATOM 711 C THR A 67 68.466 -1.643 3.440 1.00 0.09 C ATOM 712 O THR A 67 69.042 -1.934 4.489 1.00 0.10 O ATOM 713 CB THR A 67 66.477 -3.138 3.236 1.00 0.12 C ATOM 714 OG1 THR A 67 65.913 -4.213 2.500 1.00 0.14 O ATOM 715 CG2 THR A 67 65.508 -1.955 3.239 1.00 0.14 C ATOM 0 H THR A 67 68.993 -4.259 3.357 1.00 0.09 H new ATOM 0 HA THR A 67 67.599 -2.317 1.595 1.00 0.10 H new ATOM 0 HB THR A 67 66.660 -3.456 4.262 1.00 0.12 H new ATOM 0 HG1 THR A 67 65.067 -4.485 2.914 1.00 0.14 H new ATOM 0 HG21 THR A 67 64.567 -2.256 3.700 1.00 0.14 H new ATOM 0 HG22 THR A 67 65.942 -1.131 3.805 1.00 0.14 H new ATOM 0 HG23 THR A 67 65.323 -1.633 2.214 1.00 0.14 H new ATOM 723 N THR A 68 68.389 -0.397 2.985 1.00 0.09 N ATOM 724 CA THR A 68 69.005 0.714 3.711 1.00 0.09 C ATOM 725 C THR A 68 67.965 1.775 4.059 1.00 0.11 C ATOM 726 O THR A 68 67.059 2.047 3.274 1.00 0.14 O ATOM 727 CB THR A 68 70.118 1.334 2.859 1.00 0.10 C ATOM 728 OG1 THR A 68 70.714 2.407 3.574 1.00 0.11 O ATOM 729 CG2 THR A 68 69.544 1.849 1.538 1.00 0.12 C ATOM 0 H THR A 68 67.911 -0.130 2.125 1.00 0.09 H new ATOM 0 HA THR A 68 69.429 0.330 4.639 1.00 0.09 H new ATOM 0 HB THR A 68 70.870 0.575 2.643 1.00 0.10 H new ATOM 0 HG1 THR A 68 71.026 2.086 4.446 1.00 0.11 H new ATOM 0 HG21 THR A 68 70.343 2.287 0.940 1.00 0.12 H new ATOM 0 HG22 THR A 68 69.093 1.022 0.990 1.00 0.12 H new ATOM 0 HG23 THR A 68 68.786 2.605 1.741 1.00 0.12 H new ATOM 737 N TYR A 69 68.104 2.372 5.238 1.00 0.09 N ATOM 738 CA TYR A 69 67.195 3.434 5.659 1.00 0.10 C ATOM 739 C TYR A 69 67.883 4.788 5.534 1.00 0.10 C ATOM 740 O TYR A 69 69.063 4.920 5.862 1.00 0.09 O ATOM 741 CB TYR A 69 66.768 3.206 7.109 1.00 0.12 C ATOM 742 CG TYR A 69 66.116 1.863 7.338 1.00 0.16 C ATOM 743 CD1 TYR A 69 66.900 0.756 7.687 1.00 0.26 C ATOM 744 CD2 TYR A 69 64.731 1.722 7.199 1.00 0.16 C ATOM 745 CE1 TYR A 69 66.299 -0.490 7.898 1.00 0.30 C ATOM 746 CE2 TYR A 69 64.129 0.476 7.410 1.00 0.20 C ATOM 747 CZ TYR A 69 64.913 -0.630 7.760 1.00 0.24 C ATOM 748 OH TYR A 69 64.320 -1.859 7.967 1.00 0.29 O ATOM 0 H TYR A 69 68.831 2.142 5.915 1.00 0.09 H new ATOM 0 HA TYR A 69 66.314 3.421 5.018 1.00 0.10 H new ATOM 0 HB2 TYR A 69 67.642 3.292 7.755 1.00 0.12 H new ATOM 0 HB3 TYR A 69 66.074 3.993 7.404 1.00 0.12 H new ATOM 0 HD1 TYR A 69 67.969 0.864 7.793 1.00 0.26 H new ATOM 0 HD2 TYR A 69 64.126 2.575 6.929 1.00 0.16 H new ATOM 0 HE1 TYR A 69 66.904 -1.343 8.167 1.00 0.30 H new ATOM 0 HE2 TYR A 69 63.060 0.368 7.303 1.00 0.20 H new ATOM 0 HH TYR A 69 63.352 -1.782 7.832 1.00 0.29 H new ATOM 758 N ILE A 70 67.148 5.793 5.064 1.00 0.12 N ATOM 759 CA ILE A 70 67.727 7.125 4.894 1.00 0.13 C ATOM 760 C ILE A 70 67.410 7.993 6.119 1.00 0.13 C ATOM 761 O ILE A 70 66.261 8.417 6.260 1.00 0.16 O ATOM 762 CB ILE A 70 67.153 7.829 3.655 1.00 0.17 C ATOM 763 CG1 ILE A 70 67.162 6.913 2.423 1.00 0.18 C ATOM 764 CG2 ILE A 70 68.015 9.055 3.348 1.00 0.19 C ATOM 765 CD1 ILE A 70 66.362 7.570 1.295 1.00 0.34 C ATOM 0 H ILE A 70 66.166 5.715 4.798 1.00 0.12 H new ATOM 0 HA ILE A 70 68.803 7.000 4.775 1.00 0.13 H new ATOM 0 HB ILE A 70 66.121 8.106 3.870 1.00 0.17 H new ATOM 0 HG12 ILE A 70 68.187 6.731 2.099 1.00 0.18 H new ATOM 0 HG13 ILE A 70 66.730 5.944 2.673 1.00 0.18 H new ATOM 0 HG21 ILE A 70 67.620 9.567 2.470 1.00 0.19 H new ATOM 0 HG22 ILE A 70 67.999 9.734 4.201 1.00 0.19 H new ATOM 0 HG23 ILE A 70 69.040 8.740 3.154 1.00 0.19 H new ATOM 0 HD11 ILE A 70 66.367 6.921 0.419 1.00 0.34 H new ATOM 0 HD12 ILE A 70 65.335 7.729 1.622 1.00 0.34 H new ATOM 0 HD13 ILE A 70 66.814 8.528 1.039 1.00 0.34 H new ATOM 777 N PRO A 71 68.354 8.277 6.996 1.00 0.13 N ATOM 778 CA PRO A 71 68.057 9.093 8.216 1.00 0.14 C ATOM 779 C PRO A 71 67.433 10.447 7.873 1.00 0.14 C ATOM 780 O PRO A 71 66.498 10.892 8.538 1.00 0.14 O ATOM 781 CB PRO A 71 69.408 9.258 8.927 1.00 0.16 C ATOM 782 CG PRO A 71 70.452 8.804 7.962 1.00 0.18 C ATOM 783 CD PRO A 71 69.767 7.852 6.984 1.00 0.16 C ATOM 0 HA PRO A 71 67.319 8.600 8.850 1.00 0.14 H new ATOM 0 HB2 PRO A 71 69.571 10.297 9.215 1.00 0.16 H new ATOM 0 HB3 PRO A 71 69.440 8.665 9.841 1.00 0.16 H new ATOM 0 HG2 PRO A 71 70.886 9.653 7.434 1.00 0.18 H new ATOM 0 HG3 PRO A 71 71.267 8.302 8.483 1.00 0.18 H new ATOM 0 HD2 PRO A 71 70.198 7.929 5.986 1.00 0.16 H new ATOM 0 HD3 PRO A 71 69.873 6.814 7.298 1.00 0.16 H new ATOM 791 N VAL A 72 67.952 11.099 6.837 1.00 0.16 N ATOM 792 CA VAL A 72 67.392 12.367 6.381 1.00 0.19 C ATOM 793 C VAL A 72 67.379 12.414 4.856 1.00 0.21 C ATOM 794 O VAL A 72 68.244 11.823 4.207 1.00 0.30 O ATOM 795 CB VAL A 72 68.210 13.537 6.933 1.00 0.20 C ATOM 796 CG1 VAL A 72 68.143 13.529 8.461 1.00 1.34 C ATOM 797 CG2 VAL A 72 69.668 13.400 6.489 1.00 1.40 C ATOM 0 H VAL A 72 68.755 10.773 6.300 1.00 0.16 H new ATOM 0 HA VAL A 72 66.369 12.450 6.748 1.00 0.19 H new ATOM 0 HB VAL A 72 67.802 14.474 6.553 1.00 0.20 H new ATOM 0 HG11 VAL A 72 68.725 14.362 8.855 1.00 1.34 H new ATOM 0 HG12 VAL A 72 67.106 13.628 8.780 1.00 1.34 H new ATOM 0 HG13 VAL A 72 68.550 12.591 8.838 1.00 1.34 H new ATOM 0 HG21 VAL A 72 70.248 14.234 6.883 1.00 1.40 H new ATOM 0 HG22 VAL A 72 70.077 12.463 6.867 1.00 1.40 H new ATOM 0 HG23 VAL A 72 69.719 13.405 5.400 1.00 1.40 H new ATOM 807 N GLN A 73 66.415 13.131 4.288 1.00 0.34 N ATOM 808 CA GLN A 73 66.297 13.205 2.836 1.00 0.41 C ATOM 809 C GLN A 73 67.550 13.831 2.232 1.00 0.28 C ATOM 810 O GLN A 73 67.951 14.931 2.611 1.00 0.37 O ATOM 811 CB GLN A 73 65.073 14.038 2.452 1.00 0.66 C ATOM 812 CG GLN A 73 63.801 13.326 2.921 1.00 1.37 C ATOM 813 CD GLN A 73 62.569 14.179 2.627 1.00 1.56 C ATOM 814 OE1 GLN A 73 62.676 15.385 2.402 1.00 1.56 O ATOM 815 NE2 GLN A 73 61.391 13.618 2.615 1.00 2.32 N ATOM 0 H GLN A 73 65.713 13.663 4.802 1.00 0.34 H new ATOM 0 HA GLN A 73 66.183 12.193 2.446 1.00 0.41 H new ATOM 0 HB2 GLN A 73 65.137 15.027 2.905 1.00 0.66 H new ATOM 0 HB3 GLN A 73 65.044 14.184 1.372 1.00 0.66 H new ATOM 0 HG2 GLN A 73 63.711 12.362 2.420 1.00 1.37 H new ATOM 0 HG3 GLN A 73 63.864 13.124 3.990 1.00 1.37 H new ATOM 0 HE21 GLN A 73 61.300 12.619 2.801 1.00 2.32 H new ATOM 0 HE22 GLN A 73 60.561 14.178 2.420 1.00 2.32 H new ATOM 824 N ASP A 74 68.164 13.120 1.290 1.00 0.27 N ATOM 825 CA ASP A 74 69.370 13.608 0.625 1.00 0.39 C ATOM 826 C ASP A 74 69.123 13.759 -0.880 1.00 0.34 C ATOM 827 O ASP A 74 69.337 12.807 -1.634 1.00 0.32 O ATOM 828 CB ASP A 74 70.516 12.619 0.873 1.00 0.60 C ATOM 829 CG ASP A 74 71.855 13.349 0.885 1.00 1.00 C ATOM 830 OD1 ASP A 74 72.232 13.874 -0.151 1.00 1.52 O ATOM 831 OD2 ASP A 74 72.485 13.372 1.930 1.00 1.61 O ATOM 0 H ASP A 74 67.847 12.205 0.970 1.00 0.27 H new ATOM 0 HA ASP A 74 69.636 14.584 1.030 1.00 0.39 H new ATOM 0 HB2 ASP A 74 70.365 12.108 1.824 1.00 0.60 H new ATOM 0 HB3 ASP A 74 70.519 11.854 0.097 1.00 0.60 H new ATOM 836 N PRO A 75 68.672 14.907 -1.344 1.00 0.36 N ATOM 837 CA PRO A 75 68.420 15.115 -2.806 1.00 0.36 C ATOM 838 C PRO A 75 69.672 14.887 -3.652 1.00 0.29 C ATOM 839 O PRO A 75 69.582 14.483 -4.812 1.00 0.30 O ATOM 840 CB PRO A 75 67.963 16.573 -2.907 1.00 0.47 C ATOM 841 CG PRO A 75 67.446 16.904 -1.550 1.00 0.53 C ATOM 842 CD PRO A 75 68.338 16.130 -0.585 1.00 0.45 C ATOM 0 HA PRO A 75 67.684 14.406 -3.186 1.00 0.36 H new ATOM 0 HB2 PRO A 75 68.788 17.228 -3.187 1.00 0.47 H new ATOM 0 HB3 PRO A 75 67.189 16.694 -3.665 1.00 0.47 H new ATOM 0 HG2 PRO A 75 67.496 17.976 -1.360 1.00 0.53 H new ATOM 0 HG3 PRO A 75 66.402 16.610 -1.443 1.00 0.53 H new ATOM 0 HD2 PRO A 75 69.231 16.696 -0.320 1.00 0.45 H new ATOM 0 HD3 PRO A 75 67.819 15.898 0.345 1.00 0.45 H new ATOM 850 N LYS A 76 70.837 15.145 -3.065 1.00 0.26 N ATOM 851 CA LYS A 76 72.098 14.972 -3.782 1.00 0.26 C ATOM 852 C LYS A 76 72.318 13.514 -4.188 1.00 0.22 C ATOM 853 O LYS A 76 72.896 13.238 -5.239 1.00 0.22 O ATOM 854 CB LYS A 76 73.265 15.454 -2.917 1.00 0.28 C ATOM 855 CG LYS A 76 74.559 15.425 -3.735 1.00 0.36 C ATOM 856 CD LYS A 76 75.737 15.828 -2.846 1.00 0.82 C ATOM 857 CE LYS A 76 77.001 15.951 -3.699 1.00 0.97 C ATOM 858 NZ LYS A 76 76.984 17.249 -4.429 1.00 1.84 N ATOM 0 H LYS A 76 70.935 15.472 -2.104 1.00 0.26 H new ATOM 0 HA LYS A 76 72.048 15.570 -4.692 1.00 0.26 H new ATOM 0 HB2 LYS A 76 73.072 16.465 -2.559 1.00 0.28 H new ATOM 0 HB3 LYS A 76 73.365 14.818 -2.037 1.00 0.28 H new ATOM 0 HG2 LYS A 76 74.722 14.427 -4.142 1.00 0.36 H new ATOM 0 HG3 LYS A 76 74.481 16.106 -4.583 1.00 0.36 H new ATOM 0 HD2 LYS A 76 75.526 16.776 -2.351 1.00 0.82 H new ATOM 0 HD3 LYS A 76 75.885 15.086 -2.062 1.00 0.82 H new ATOM 0 HE2 LYS A 76 77.887 15.889 -3.067 1.00 0.97 H new ATOM 0 HE3 LYS A 76 77.056 15.124 -4.407 1.00 0.97 H new ATOM 0 HZ1 LYS A 76 77.911 17.410 -4.872 1.00 1.84 H new ATOM 0 HZ2 LYS A 76 76.248 17.224 -5.164 1.00 1.84 H new ATOM 0 HZ3 LYS A 76 76.781 18.020 -3.761 1.00 1.84 H new ATOM 872 N LEU A 77 71.846 12.580 -3.366 1.00 0.20 N ATOM 873 CA LEU A 77 72.065 11.163 -3.635 1.00 0.20 C ATOM 874 C LEU A 77 71.506 10.782 -5.003 1.00 0.19 C ATOM 875 O LEU A 77 72.121 10.012 -5.740 1.00 0.19 O ATOM 876 CB LEU A 77 71.395 10.318 -2.549 1.00 0.23 C ATOM 877 CG LEU A 77 71.747 8.842 -2.751 1.00 0.25 C ATOM 878 CD1 LEU A 77 73.218 8.614 -2.396 1.00 0.26 C ATOM 879 CD2 LEU A 77 70.867 7.982 -1.842 1.00 0.27 C ATOM 0 H LEU A 77 71.315 12.776 -2.517 1.00 0.20 H new ATOM 0 HA LEU A 77 73.138 10.972 -3.632 1.00 0.20 H new ATOM 0 HB2 LEU A 77 71.724 10.648 -1.564 1.00 0.23 H new ATOM 0 HB3 LEU A 77 70.314 10.452 -2.586 1.00 0.23 H new ATOM 0 HG LEU A 77 71.577 8.567 -3.792 1.00 0.25 H new ATOM 0 HD11 LEU A 77 73.468 7.563 -2.540 1.00 0.26 H new ATOM 0 HD12 LEU A 77 73.847 9.228 -3.040 1.00 0.26 H new ATOM 0 HD13 LEU A 77 73.388 8.888 -1.355 1.00 0.26 H new ATOM 0 HD21 LEU A 77 71.116 6.930 -1.984 1.00 0.27 H new ATOM 0 HD22 LEU A 77 71.039 8.258 -0.802 1.00 0.27 H new ATOM 0 HD23 LEU A 77 69.818 8.144 -2.092 1.00 0.27 H new ATOM 891 N LEU A 78 70.352 11.344 -5.351 1.00 0.20 N ATOM 892 CA LEU A 78 69.727 11.036 -6.632 1.00 0.24 C ATOM 893 C LEU A 78 70.655 11.427 -7.778 1.00 0.21 C ATOM 894 O LEU A 78 70.881 10.649 -8.705 1.00 0.22 O ATOM 895 CB LEU A 78 68.402 11.790 -6.765 1.00 0.31 C ATOM 896 CG LEU A 78 67.469 11.412 -5.611 1.00 0.37 C ATOM 897 CD1 LEU A 78 66.192 12.250 -5.695 1.00 0.45 C ATOM 898 CD2 LEU A 78 67.102 9.929 -5.706 1.00 0.47 C ATOM 0 H LEU A 78 69.837 12.007 -4.772 1.00 0.20 H new ATOM 0 HA LEU A 78 69.536 9.964 -6.677 1.00 0.24 H new ATOM 0 HB2 LEU A 78 68.583 12.865 -6.760 1.00 0.31 H new ATOM 0 HB3 LEU A 78 67.931 11.550 -7.718 1.00 0.31 H new ATOM 0 HG LEU A 78 67.975 11.601 -4.664 1.00 0.37 H new ATOM 0 HD11 LEU A 78 65.527 11.982 -4.874 1.00 0.45 H new ATOM 0 HD12 LEU A 78 66.446 13.308 -5.626 1.00 0.45 H new ATOM 0 HD13 LEU A 78 65.692 12.058 -6.645 1.00 0.45 H new ATOM 0 HD21 LEU A 78 66.438 9.665 -4.883 1.00 0.47 H new ATOM 0 HD22 LEU A 78 66.598 9.739 -6.654 1.00 0.47 H new ATOM 0 HD23 LEU A 78 68.008 9.326 -5.649 1.00 0.47 H new ATOM 910 N ASP A 79 71.228 12.622 -7.685 1.00 0.20 N ATOM 911 CA ASP A 79 72.112 13.112 -8.737 1.00 0.23 C ATOM 912 C ASP A 79 73.296 12.173 -8.930 1.00 0.22 C ATOM 913 O ASP A 79 73.698 11.893 -10.058 1.00 0.25 O ATOM 914 CB ASP A 79 72.616 14.514 -8.388 1.00 0.24 C ATOM 915 CG ASP A 79 73.392 15.097 -9.563 1.00 0.87 C ATOM 916 OD1 ASP A 79 72.761 15.647 -10.452 1.00 1.83 O ATOM 917 OD2 ASP A 79 74.607 14.987 -9.559 1.00 0.84 O ATOM 0 H ASP A 79 71.099 13.263 -6.902 1.00 0.20 H new ATOM 0 HA ASP A 79 71.546 13.153 -9.667 1.00 0.23 H new ATOM 0 HB2 ASP A 79 71.774 15.161 -8.141 1.00 0.24 H new ATOM 0 HB3 ASP A 79 73.254 14.471 -7.506 1.00 0.24 H new ATOM 922 N ASN A 80 73.840 11.673 -7.825 1.00 0.20 N ATOM 923 CA ASN A 80 74.983 10.772 -7.899 1.00 0.22 C ATOM 924 C ASN A 80 74.631 9.517 -8.694 1.00 0.23 C ATOM 925 O ASN A 80 75.346 9.136 -9.621 1.00 0.26 O ATOM 926 CB ASN A 80 75.417 10.371 -6.486 1.00 0.22 C ATOM 927 CG ASN A 80 76.806 9.733 -6.508 1.00 0.27 C ATOM 928 OD1 ASN A 80 77.295 9.325 -7.563 1.00 0.64 O ATOM 929 ND2 ASN A 80 77.477 9.625 -5.395 1.00 0.66 N ATOM 0 H ASN A 80 73.513 11.873 -6.880 1.00 0.20 H new ATOM 0 HA ASN A 80 75.798 11.291 -8.403 1.00 0.22 H new ATOM 0 HB2 ASN A 80 75.425 11.249 -5.840 1.00 0.22 H new ATOM 0 HB3 ASN A 80 74.696 9.671 -6.064 1.00 0.22 H new ATOM 0 HD21 ASN A 80 78.406 9.203 -5.398 1.00 0.66 H new ATOM 0 HD22 ASN A 80 77.073 9.962 -4.521 1.00 0.66 H new ATOM 936 N LEU A 81 73.507 8.894 -8.353 1.00 0.20 N ATOM 937 CA LEU A 81 73.100 7.664 -9.023 1.00 0.21 C ATOM 938 C LEU A 81 72.947 7.877 -10.524 1.00 0.24 C ATOM 939 O LEU A 81 73.262 6.982 -11.308 1.00 0.27 O ATOM 940 CB LEU A 81 71.777 7.162 -8.440 1.00 0.20 C ATOM 941 CG LEU A 81 71.926 6.922 -6.935 1.00 0.20 C ATOM 942 CD1 LEU A 81 70.570 6.529 -6.346 1.00 0.19 C ATOM 943 CD2 LEU A 81 72.927 5.790 -6.690 1.00 0.24 C ATOM 0 H LEU A 81 72.869 9.216 -7.626 1.00 0.20 H new ATOM 0 HA LEU A 81 73.879 6.920 -8.859 1.00 0.21 H new ATOM 0 HB2 LEU A 81 70.989 7.892 -8.624 1.00 0.20 H new ATOM 0 HB3 LEU A 81 71.478 6.239 -8.936 1.00 0.20 H new ATOM 0 HG LEU A 81 72.285 7.835 -6.459 1.00 0.20 H new ATOM 0 HD11 LEU A 81 70.675 6.358 -5.275 1.00 0.19 H new ATOM 0 HD12 LEU A 81 69.853 7.332 -6.517 1.00 0.19 H new ATOM 0 HD13 LEU A 81 70.215 5.617 -6.826 1.00 0.19 H new ATOM 0 HD21 LEU A 81 73.031 5.622 -5.618 1.00 0.24 H new ATOM 0 HD22 LEU A 81 72.569 4.878 -7.168 1.00 0.24 H new ATOM 0 HD23 LEU A 81 73.895 6.063 -7.110 1.00 0.24 H new ATOM 955 N LEU A 82 72.460 9.050 -10.923 1.00 0.25 N ATOM 956 CA LEU A 82 72.288 9.330 -12.346 1.00 0.29 C ATOM 957 C LEU A 82 73.638 9.443 -13.052 1.00 0.32 C ATOM 958 O LEU A 82 73.828 8.862 -14.118 1.00 0.36 O ATOM 959 CB LEU A 82 71.479 10.613 -12.550 1.00 0.30 C ATOM 960 CG LEU A 82 70.098 10.469 -11.906 1.00 0.29 C ATOM 961 CD1 LEU A 82 69.346 11.797 -12.011 1.00 0.32 C ATOM 962 CD2 LEU A 82 69.301 9.383 -12.631 1.00 0.32 C ATOM 0 H LEU A 82 72.183 9.806 -10.297 1.00 0.25 H new ATOM 0 HA LEU A 82 71.741 8.496 -12.785 1.00 0.29 H new ATOM 0 HB2 LEU A 82 72.007 11.459 -12.111 1.00 0.30 H new ATOM 0 HB3 LEU A 82 71.373 10.820 -13.615 1.00 0.30 H new ATOM 0 HG LEU A 82 70.218 10.195 -10.858 1.00 0.29 H new ATOM 0 HD11 LEU A 82 68.362 11.695 -11.553 1.00 0.32 H new ATOM 0 HD12 LEU A 82 69.908 12.575 -11.495 1.00 0.32 H new ATOM 0 HD13 LEU A 82 69.231 12.068 -13.060 1.00 0.32 H new ATOM 0 HD21 LEU A 82 68.319 9.283 -12.170 1.00 0.32 H new ATOM 0 HD22 LEU A 82 69.183 9.657 -13.680 1.00 0.32 H new ATOM 0 HD23 LEU A 82 69.832 8.434 -12.561 1.00 0.32 H new ATOM 974 N THR A 83 74.585 10.146 -12.439 1.00 0.32 N ATOM 975 CA THR A 83 75.918 10.281 -13.028 1.00 0.36 C ATOM 976 C THR A 83 76.591 8.919 -13.217 1.00 0.37 C ATOM 977 O THR A 83 77.351 8.724 -14.166 1.00 0.41 O ATOM 978 CB THR A 83 76.791 11.162 -12.131 1.00 0.36 C ATOM 979 OG1 THR A 83 76.120 12.389 -11.881 1.00 0.40 O ATOM 980 CG2 THR A 83 78.125 11.444 -12.826 1.00 0.32 C ATOM 0 H THR A 83 74.460 10.626 -11.548 1.00 0.32 H new ATOM 0 HA THR A 83 75.806 10.742 -14.009 1.00 0.36 H new ATOM 0 HB THR A 83 76.977 10.647 -11.189 1.00 0.36 H new ATOM 0 HG1 THR A 83 75.449 12.258 -11.179 1.00 0.40 H new ATOM 0 HG21 THR A 83 78.744 12.071 -12.185 1.00 0.32 H new ATOM 0 HG22 THR A 83 78.640 10.503 -13.020 1.00 0.32 H new ATOM 0 HG23 THR A 83 77.942 11.958 -13.769 1.00 0.32 H new ATOM 988 N LYS A 84 76.311 7.982 -12.315 1.00 0.34 N ATOM 989 CA LYS A 84 76.881 6.637 -12.402 1.00 0.36 C ATOM 990 C LYS A 84 76.139 5.720 -13.385 1.00 0.36 C ATOM 991 O LYS A 84 76.539 4.569 -13.559 1.00 0.37 O ATOM 992 CB LYS A 84 76.899 5.988 -11.019 1.00 0.35 C ATOM 993 CG LYS A 84 77.871 6.738 -10.107 1.00 0.38 C ATOM 994 CD LYS A 84 77.722 6.239 -8.667 1.00 1.08 C ATOM 995 CE LYS A 84 78.266 4.813 -8.543 1.00 1.07 C ATOM 996 NZ LYS A 84 79.739 4.821 -8.764 1.00 2.15 N ATOM 0 H LYS A 84 75.694 8.127 -11.516 1.00 0.34 H new ATOM 0 HA LYS A 84 77.895 6.758 -12.784 1.00 0.36 H new ATOM 0 HB2 LYS A 84 75.898 6.001 -10.588 1.00 0.35 H new ATOM 0 HB3 LYS A 84 77.197 4.943 -11.102 1.00 0.35 H new ATOM 0 HG2 LYS A 84 78.895 6.588 -10.449 1.00 0.38 H new ATOM 0 HG3 LYS A 84 77.674 7.809 -10.153 1.00 0.38 H new ATOM 0 HD2 LYS A 84 78.259 6.901 -7.988 1.00 1.08 H new ATOM 0 HD3 LYS A 84 76.673 6.263 -8.373 1.00 1.08 H new ATOM 0 HE2 LYS A 84 78.038 4.410 -7.556 1.00 1.07 H new ATOM 0 HE3 LYS A 84 77.782 4.163 -9.272 1.00 1.07 H new ATOM 0 HZ1 LYS A 84 79.965 4.273 -9.619 1.00 2.15 H new ATOM 0 HZ2 LYS A 84 80.067 5.801 -8.884 1.00 2.15 H new ATOM 0 HZ3 LYS A 84 80.215 4.395 -7.944 1.00 2.15 H new ATOM 1010 N ASN A 85 75.063 6.199 -14.009 1.00 0.35 N ATOM 1011 CA ASN A 85 74.262 5.362 -14.895 1.00 0.36 C ATOM 1012 C ASN A 85 73.705 4.160 -14.133 1.00 0.33 C ATOM 1013 O ASN A 85 73.691 3.036 -14.636 1.00 0.35 O ATOM 1014 CB ASN A 85 75.103 4.895 -16.089 1.00 0.42 C ATOM 1015 CG ASN A 85 75.699 6.099 -16.809 1.00 0.43 C ATOM 1016 OD1 ASN A 85 75.021 7.108 -17.002 1.00 0.85 O ATOM 1017 ND2 ASN A 85 76.937 6.053 -17.220 1.00 0.94 N ATOM 0 H ASN A 85 74.729 7.158 -13.917 1.00 0.35 H new ATOM 0 HA ASN A 85 73.425 5.952 -15.269 1.00 0.36 H new ATOM 0 HB2 ASN A 85 75.900 4.234 -15.747 1.00 0.42 H new ATOM 0 HB3 ASN A 85 74.484 4.319 -16.777 1.00 0.42 H new ATOM 0 HD21 ASN A 85 77.344 6.854 -17.702 1.00 0.94 H new ATOM 0 HD22 ASN A 85 77.497 5.216 -17.059 1.00 0.94 H new ATOM 1024 N VAL A 86 73.236 4.410 -12.913 1.00 0.30 N ATOM 1025 CA VAL A 86 72.646 3.354 -12.097 1.00 0.26 C ATOM 1026 C VAL A 86 71.133 3.348 -12.287 1.00 0.23 C ATOM 1027 O VAL A 86 70.516 4.407 -12.410 1.00 0.26 O ATOM 1028 CB VAL A 86 72.989 3.580 -10.618 1.00 0.26 C ATOM 1029 CG1 VAL A 86 72.422 2.444 -9.763 1.00 0.24 C ATOM 1030 CG2 VAL A 86 74.510 3.612 -10.443 1.00 0.30 C ATOM 0 H VAL A 86 73.253 5.329 -12.470 1.00 0.30 H new ATOM 0 HA VAL A 86 73.051 2.391 -12.408 1.00 0.26 H new ATOM 0 HB VAL A 86 72.553 4.527 -10.301 1.00 0.26 H new ATOM 0 HG11 VAL A 86 72.672 2.617 -8.716 1.00 0.24 H new ATOM 0 HG12 VAL A 86 71.338 2.410 -9.876 1.00 0.24 H new ATOM 0 HG13 VAL A 86 72.851 1.496 -10.087 1.00 0.24 H new ATOM 0 HG21 VAL A 86 74.752 3.773 -9.392 1.00 0.30 H new ATOM 0 HG22 VAL A 86 74.934 2.663 -10.772 1.00 0.30 H new ATOM 0 HG23 VAL A 86 74.928 4.423 -11.040 1.00 0.30 H new ATOM 1040 N LYS A 87 70.541 2.157 -12.319 1.00 0.21 N ATOM 1041 CA LYS A 87 69.102 2.047 -12.533 1.00 0.23 C ATOM 1042 C LYS A 87 68.355 2.566 -11.310 1.00 0.21 C ATOM 1043 O LYS A 87 68.635 2.156 -10.185 1.00 0.23 O ATOM 1044 CB LYS A 87 68.717 0.590 -12.794 1.00 0.24 C ATOM 1045 CG LYS A 87 67.241 0.515 -13.187 1.00 0.30 C ATOM 1046 CD LYS A 87 66.832 -0.949 -13.367 1.00 0.86 C ATOM 1047 CE LYS A 87 65.406 -1.017 -13.914 1.00 1.03 C ATOM 1048 NZ LYS A 87 65.404 -0.618 -15.350 1.00 1.92 N ATOM 0 H LYS A 87 71.027 1.268 -12.201 1.00 0.21 H new ATOM 0 HA LYS A 87 68.829 2.646 -13.402 1.00 0.23 H new ATOM 0 HB2 LYS A 87 69.337 0.176 -13.589 1.00 0.24 H new ATOM 0 HB3 LYS A 87 68.898 -0.010 -11.902 1.00 0.24 H new ATOM 0 HG2 LYS A 87 66.625 0.983 -12.419 1.00 0.30 H new ATOM 0 HG3 LYS A 87 67.072 1.067 -14.112 1.00 0.30 H new ATOM 0 HD2 LYS A 87 67.519 -1.448 -14.050 1.00 0.86 H new ATOM 0 HD3 LYS A 87 66.893 -1.474 -12.414 1.00 0.86 H new ATOM 0 HE2 LYS A 87 65.012 -2.027 -13.806 1.00 1.03 H new ATOM 0 HE3 LYS A 87 64.754 -0.357 -13.342 1.00 1.03 H new ATOM 0 HZ1 LYS A 87 64.511 -0.916 -15.792 1.00 1.92 H new ATOM 0 HZ2 LYS A 87 65.498 0.415 -15.423 1.00 1.92 H new ATOM 0 HZ3 LYS A 87 66.201 -1.074 -15.838 1.00 1.92 H new ATOM 1062 N VAL A 88 67.376 3.438 -11.534 1.00 0.22 N ATOM 1063 CA VAL A 88 66.613 4.019 -10.430 1.00 0.20 C ATOM 1064 C VAL A 88 65.119 3.865 -10.688 1.00 0.21 C ATOM 1065 O VAL A 88 64.627 4.177 -11.773 1.00 0.25 O ATOM 1066 CB VAL A 88 66.967 5.501 -10.259 1.00 0.24 C ATOM 1067 CG1 VAL A 88 66.231 6.079 -9.046 1.00 0.24 C ATOM 1068 CG2 VAL A 88 68.475 5.647 -10.038 1.00 0.26 C ATOM 0 H VAL A 88 67.093 3.757 -12.461 1.00 0.22 H new ATOM 0 HA VAL A 88 66.870 3.490 -9.512 1.00 0.20 H new ATOM 0 HB VAL A 88 66.669 6.040 -11.158 1.00 0.24 H new ATOM 0 HG11 VAL A 88 66.488 7.132 -8.932 1.00 0.24 H new ATOM 0 HG12 VAL A 88 65.155 5.982 -9.193 1.00 0.24 H new ATOM 0 HG13 VAL A 88 66.525 5.535 -8.149 1.00 0.24 H new ATOM 0 HG21 VAL A 88 68.725 6.701 -9.917 1.00 0.26 H new ATOM 0 HG22 VAL A 88 68.766 5.100 -9.141 1.00 0.26 H new ATOM 0 HG23 VAL A 88 69.009 5.244 -10.898 1.00 0.26 H new ATOM 1078 N VAL A 89 64.405 3.380 -9.678 1.00 0.19 N ATOM 1079 CA VAL A 89 62.958 3.199 -9.783 1.00 0.22 C ATOM 1080 C VAL A 89 62.257 4.070 -8.746 1.00 0.22 C ATOM 1081 O VAL A 89 62.618 4.044 -7.572 1.00 0.19 O ATOM 1082 CB VAL A 89 62.575 1.734 -9.533 1.00 0.24 C ATOM 1083 CG1 VAL A 89 61.080 1.545 -9.804 1.00 0.21 C ATOM 1084 CG2 VAL A 89 63.376 0.808 -10.454 1.00 0.30 C ATOM 0 H VAL A 89 64.801 3.105 -8.779 1.00 0.19 H new ATOM 0 HA VAL A 89 62.650 3.484 -10.789 1.00 0.22 H new ATOM 0 HB VAL A 89 62.800 1.484 -8.496 1.00 0.24 H new ATOM 0 HG11 VAL A 89 60.807 0.505 -9.627 1.00 0.21 H new ATOM 0 HG12 VAL A 89 60.505 2.190 -9.139 1.00 0.21 H new ATOM 0 HG13 VAL A 89 60.862 1.806 -10.840 1.00 0.21 H new ATOM 0 HG21 VAL A 89 63.093 -0.227 -10.264 1.00 0.30 H new ATOM 0 HG22 VAL A 89 63.165 1.057 -11.494 1.00 0.30 H new ATOM 0 HG23 VAL A 89 64.441 0.934 -10.260 1.00 0.30 H new ATOM 1094 N GLY A 90 61.251 4.827 -9.175 1.00 0.27 N ATOM 1095 CA GLY A 90 60.502 5.670 -8.248 1.00 0.30 C ATOM 1096 C GLY A 90 59.147 5.050 -7.926 1.00 0.50 C ATOM 1097 O GLY A 90 58.392 4.683 -8.827 1.00 0.73 O ATOM 0 H GLY A 90 60.939 4.875 -10.145 1.00 0.27 H new ATOM 0 HA2 GLY A 90 61.073 5.804 -7.329 1.00 0.30 H new ATOM 0 HA3 GLY A 90 60.360 6.659 -8.683 1.00 0.30 H new ATOM 1101 N GLU A 91 58.842 4.937 -6.637 1.00 0.55 N ATOM 1102 CA GLU A 91 57.556 4.401 -6.213 1.00 0.91 C ATOM 1103 C GLU A 91 57.182 4.945 -4.831 1.00 1.23 C ATOM 1104 O GLU A 91 57.567 4.348 -3.824 1.00 1.39 O ATOM 1105 CB GLU A 91 57.620 2.874 -6.159 1.00 1.05 C ATOM 1106 CG GLU A 91 57.444 2.304 -7.568 1.00 1.70 C ATOM 1107 CD GLU A 91 57.066 0.829 -7.492 1.00 2.42 C ATOM 1108 OE1 GLU A 91 55.905 0.547 -7.245 1.00 2.75 O ATOM 1109 OE2 GLU A 91 57.943 0.003 -7.682 1.00 3.17 O ATOM 0 H GLU A 91 59.463 5.207 -5.874 1.00 0.55 H new ATOM 0 HA GLU A 91 56.798 4.708 -6.933 1.00 0.91 H new ATOM 0 HB2 GLU A 91 58.575 2.554 -5.743 1.00 1.05 H new ATOM 0 HB3 GLU A 91 56.841 2.490 -5.500 1.00 1.05 H new ATOM 0 HG2 GLU A 91 56.671 2.859 -8.099 1.00 1.70 H new ATOM 0 HG3 GLU A 91 58.368 2.422 -8.135 1.00 1.70 H new ATOM 1116 N PRO A 92 56.463 6.048 -4.744 1.00 1.61 N ATOM 1117 CA PRO A 92 56.046 6.597 -3.416 1.00 2.06 C ATOM 1118 C PRO A 92 55.323 5.537 -2.581 1.00 2.32 C ATOM 1119 O PRO A 92 54.650 4.675 -3.149 1.00 2.43 O ATOM 1120 CB PRO A 92 55.104 7.754 -3.758 1.00 2.48 C ATOM 1121 CG PRO A 92 55.477 8.172 -5.139 1.00 2.52 C ATOM 1122 CD PRO A 92 55.994 6.918 -5.842 1.00 1.91 C ATOM 0 HA PRO A 92 56.900 6.917 -2.819 1.00 2.06 H new ATOM 0 HB2 PRO A 92 54.062 7.439 -3.711 1.00 2.48 H new ATOM 0 HB3 PRO A 92 55.221 8.577 -3.053 1.00 2.48 H new ATOM 0 HG2 PRO A 92 54.617 8.586 -5.665 1.00 2.52 H new ATOM 0 HG3 PRO A 92 56.242 8.949 -5.117 1.00 2.52 H new ATOM 0 HD2 PRO A 92 55.208 6.436 -6.423 1.00 1.91 H new ATOM 0 HD3 PRO A 92 56.802 7.155 -6.534 1.00 1.91 H new ATOM 1130 N PRO A 93 55.438 5.563 -1.269 1.00 2.69 N ATOM 1131 CA PRO A 93 54.836 4.492 -0.415 1.00 3.14 C ATOM 1132 C PRO A 93 53.351 4.275 -0.698 1.00 3.58 C ATOM 1133 O PRO A 93 52.593 5.229 -0.873 1.00 3.80 O ATOM 1134 CB PRO A 93 55.034 5.001 1.015 1.00 3.64 C ATOM 1135 CG PRO A 93 56.218 5.898 0.934 1.00 3.48 C ATOM 1136 CD PRO A 93 56.126 6.571 -0.433 1.00 3.00 C ATOM 0 HA PRO A 93 55.305 3.527 -0.605 1.00 3.14 H new ATOM 0 HB2 PRO A 93 54.154 5.537 1.370 1.00 3.64 H new ATOM 0 HB3 PRO A 93 55.207 4.178 1.708 1.00 3.64 H new ATOM 0 HG2 PRO A 93 56.207 6.636 1.736 1.00 3.48 H new ATOM 0 HG3 PRO A 93 57.145 5.334 1.032 1.00 3.48 H new ATOM 0 HD2 PRO A 93 55.564 7.503 -0.384 1.00 3.00 H new ATOM 0 HD3 PRO A 93 57.112 6.814 -0.828 1.00 3.00 H new ATOM 1144 N GLU A 94 52.951 3.009 -0.741 1.00 3.96 N ATOM 1145 CA GLU A 94 51.547 2.650 -0.900 1.00 4.59 C ATOM 1146 C GLU A 94 51.272 1.333 -0.183 1.00 5.38 C ATOM 1147 O GLU A 94 52.015 0.365 -0.346 1.00 5.70 O ATOM 1148 CB GLU A 94 51.193 2.507 -2.382 1.00 5.02 C ATOM 1149 CG GLU A 94 51.371 3.855 -3.092 1.00 5.18 C ATOM 1150 CD GLU A 94 50.941 3.783 -4.562 1.00 5.24 C ATOM 1151 OE1 GLU A 94 50.706 2.694 -5.065 1.00 5.22 O ATOM 1152 OE2 GLU A 94 50.854 4.836 -5.172 1.00 5.65 O ATOM 0 H GLU A 94 53.582 2.211 -0.668 1.00 3.96 H new ATOM 0 HA GLU A 94 50.934 3.441 -0.467 1.00 4.59 H new ATOM 0 HB2 GLU A 94 51.830 1.754 -2.846 1.00 5.02 H new ATOM 0 HB3 GLU A 94 50.164 2.163 -2.488 1.00 5.02 H new ATOM 0 HG2 GLU A 94 50.785 4.617 -2.578 1.00 5.18 H new ATOM 0 HG3 GLU A 94 52.415 4.162 -3.033 1.00 5.18 H new ATOM 1159 N GLU A 95 50.205 1.295 0.612 1.00 5.92 N ATOM 1160 CA GLU A 95 49.877 0.096 1.379 1.00 6.87 C ATOM 1161 C GLU A 95 48.384 -0.246 1.269 1.00 7.76 C ATOM 1162 O GLU A 95 47.643 -0.139 2.251 1.00 7.83 O ATOM 1163 CB GLU A 95 50.289 0.284 2.847 1.00 7.16 C ATOM 1164 CG GLU A 95 49.593 1.505 3.459 1.00 7.33 C ATOM 1165 CD GLU A 95 50.431 2.058 4.608 1.00 7.47 C ATOM 1166 OE1 GLU A 95 50.477 1.414 5.643 1.00 7.52 O ATOM 1167 OE2 GLU A 95 51.014 3.114 4.434 1.00 7.76 O ATOM 0 H GLU A 95 49.558 2.073 0.741 1.00 5.92 H new ATOM 0 HA GLU A 95 50.435 -0.742 0.962 1.00 6.87 H new ATOM 0 HB2 GLU A 95 50.034 -0.609 3.418 1.00 7.16 H new ATOM 0 HB3 GLU A 95 51.370 0.406 2.913 1.00 7.16 H new ATOM 0 HG2 GLU A 95 49.451 2.273 2.698 1.00 7.33 H new ATOM 0 HG3 GLU A 95 48.603 1.227 3.820 1.00 7.33 H new ATOM 1174 N PRO A 96 47.917 -0.657 0.107 1.00 8.63 N ATOM 1175 CA PRO A 96 46.501 -1.122 -0.045 1.00 9.67 C ATOM 1176 C PRO A 96 46.166 -2.275 0.900 1.00 10.08 C ATOM 1177 O PRO A 96 45.036 -2.390 1.373 1.00 10.26 O ATOM 1178 CB PRO A 96 46.404 -1.553 -1.515 1.00 10.57 C ATOM 1179 CG PRO A 96 47.813 -1.776 -1.946 1.00 10.13 C ATOM 1180 CD PRO A 96 48.622 -0.729 -1.189 1.00 8.93 C ATOM 0 HA PRO A 96 45.786 -0.340 0.211 1.00 9.67 H new ATOM 0 HB2 PRO A 96 45.810 -2.461 -1.622 1.00 10.57 H new ATOM 0 HB3 PRO A 96 45.923 -0.785 -2.121 1.00 10.57 H new ATOM 0 HG2 PRO A 96 48.146 -2.785 -1.703 1.00 10.13 H new ATOM 0 HG3 PRO A 96 47.921 -1.656 -3.024 1.00 10.13 H new ATOM 0 HD2 PRO A 96 49.663 -1.029 -1.069 1.00 8.93 H new ATOM 0 HD3 PRO A 96 48.625 0.232 -1.704 1.00 8.93 H new ATOM 1188 N LEU A 97 47.151 -3.127 1.171 1.00 10.45 N ATOM 1189 CA LEU A 97 46.992 -4.204 2.144 1.00 11.04 C ATOM 1190 C LEU A 97 48.009 -4.032 3.267 1.00 11.89 C ATOM 1191 O LEU A 97 49.214 -3.980 3.016 1.00 12.08 O ATOM 1192 CB LEU A 97 47.200 -5.558 1.463 1.00 11.40 C ATOM 1193 CG LEU A 97 46.892 -6.684 2.453 1.00 11.56 C ATOM 1194 CD1 LEU A 97 45.382 -6.764 2.681 1.00 11.71 C ATOM 1195 CD2 LEU A 97 47.392 -8.012 1.883 1.00 11.77 C ATOM 0 H LEU A 97 48.070 -3.092 0.729 1.00 10.45 H new ATOM 0 HA LEU A 97 45.985 -4.166 2.558 1.00 11.04 H new ATOM 0 HB2 LEU A 97 46.552 -5.641 0.590 1.00 11.40 H new ATOM 0 HB3 LEU A 97 48.227 -5.644 1.107 1.00 11.40 H new ATOM 0 HG LEU A 97 47.392 -6.483 3.400 1.00 11.56 H new ATOM 0 HD11 LEU A 97 45.162 -7.566 3.386 1.00 11.71 H new ATOM 0 HD12 LEU A 97 45.024 -5.817 3.086 1.00 11.71 H new ATOM 0 HD13 LEU A 97 44.881 -6.966 1.734 1.00 11.71 H new ATOM 0 HD21 LEU A 97 47.174 -8.815 2.587 1.00 11.77 H new ATOM 0 HD22 LEU A 97 46.891 -8.213 0.936 1.00 11.77 H new ATOM 0 HD23 LEU A 97 48.468 -7.956 1.719 1.00 11.77 H new ATOM 1207 N GLU A 98 47.524 -3.947 4.501 1.00 12.53 N ATOM 1208 CA GLU A 98 48.412 -3.755 5.642 1.00 13.52 C ATOM 1209 C GLU A 98 48.738 -5.089 6.303 1.00 13.93 C ATOM 1210 O GLU A 98 47.843 -5.871 6.626 1.00 14.01 O ATOM 1211 CB GLU A 98 47.753 -2.821 6.660 1.00 14.19 C ATOM 1212 CG GLU A 98 47.513 -1.451 6.013 1.00 14.28 C ATOM 1213 CD GLU A 98 46.928 -0.445 7.009 1.00 13.85 C ATOM 1214 OE1 GLU A 98 46.537 -0.841 8.097 1.00 13.51 O ATOM 1215 OE2 GLU A 98 46.880 0.723 6.663 1.00 14.00 O ATOM 0 H GLU A 98 46.533 -4.007 4.736 1.00 12.53 H new ATOM 0 HA GLU A 98 49.341 -3.309 5.286 1.00 13.52 H new ATOM 0 HB2 GLU A 98 46.809 -3.245 7.001 1.00 14.19 H new ATOM 0 HB3 GLU A 98 48.390 -2.714 7.538 1.00 14.19 H new ATOM 0 HG2 GLU A 98 48.453 -1.066 5.618 1.00 14.28 H new ATOM 0 HG3 GLU A 98 46.834 -1.562 5.168 1.00 14.28 H new ATOM 1222 N HIS A 99 50.028 -5.342 6.501 1.00 14.35 N ATOM 1223 CA HIS A 99 50.471 -6.573 7.147 1.00 14.94 C ATOM 1224 C HIS A 99 49.922 -6.686 8.568 1.00 15.25 C ATOM 1225 O HIS A 99 49.594 -7.779 9.028 1.00 15.32 O ATOM 1226 CB HIS A 99 51.999 -6.614 7.189 1.00 15.27 C ATOM 1227 CG HIS A 99 52.636 -6.634 5.825 1.00 15.50 C ATOM 1228 ND1 HIS A 99 52.995 -5.473 5.161 1.00 15.48 N ATOM 1229 CD2 HIS A 99 52.984 -7.668 4.989 1.00 15.95 C ATOM 1230 CE1 HIS A 99 53.534 -5.830 3.981 1.00 15.90 C ATOM 1231 NE2 HIS A 99 53.551 -7.155 3.825 1.00 16.20 N ATOM 0 H HIS A 99 50.783 -4.714 6.225 1.00 14.35 H new ATOM 0 HA HIS A 99 50.091 -7.413 6.565 1.00 14.94 H new ATOM 0 HB2 HIS A 99 52.363 -5.746 7.739 1.00 15.27 H new ATOM 0 HB3 HIS A 99 52.316 -7.498 7.743 1.00 15.27 H new ATOM 0 HD2 HIS A 99 52.840 -8.717 5.202 1.00 15.95 H new ATOM 0 HE1 HIS A 99 53.908 -5.129 3.249 1.00 15.90 H new ATOM 0 HE2 HIS A 99 53.904 -7.680 3.025 1.00 16.20 H new ATOM 1239 N HIS A 100 49.824 -5.554 9.260 1.00 15.60 N ATOM 1240 CA HIS A 100 49.369 -5.555 10.646 1.00 16.10 C ATOM 1241 C HIS A 100 47.985 -6.183 10.762 1.00 16.21 C ATOM 1242 O HIS A 100 47.138 -6.013 9.886 1.00 16.29 O ATOM 1243 CB HIS A 100 49.329 -4.122 11.180 1.00 16.57 C ATOM 1244 CG HIS A 100 50.681 -3.466 11.238 1.00 16.76 C ATOM 1245 ND1 HIS A 100 51.175 -2.700 10.194 1.00 17.19 N ATOM 1246 CD2 HIS A 100 51.654 -3.452 12.207 1.00 16.75 C ATOM 1247 CE1 HIS A 100 52.395 -2.260 10.555 1.00 17.42 C ATOM 1248 NE2 HIS A 100 52.736 -2.690 11.773 1.00 17.17 N ATOM 0 H HIS A 100 50.051 -4.632 8.887 1.00 15.60 H new ATOM 0 HA HIS A 100 50.069 -6.146 11.237 1.00 16.10 H new ATOM 0 HB2 HIS A 100 48.671 -3.525 10.548 1.00 16.57 H new ATOM 0 HB3 HIS A 100 48.893 -4.127 12.179 1.00 16.57 H new ATOM 0 HD2 HIS A 100 51.590 -3.955 13.160 1.00 16.75 H new ATOM 0 HE1 HIS A 100 53.022 -1.636 9.935 1.00 17.42 H new ATOM 0 HE2 HIS A 100 53.603 -2.501 12.277 1.00 17.17 H new ATOM 1256 N HIS A 101 47.766 -6.910 11.853 1.00 16.36 N ATOM 1257 CA HIS A 101 46.479 -7.561 12.087 1.00 16.65 C ATOM 1258 C HIS A 101 45.523 -6.693 12.915 1.00 16.91 C ATOM 1259 O HIS A 101 44.309 -6.889 12.862 1.00 17.14 O ATOM 1260 CB HIS A 101 46.702 -8.893 12.805 1.00 16.80 C ATOM 1261 CG HIS A 101 47.481 -9.888 11.990 1.00 17.13 C ATOM 1262 ND1 HIS A 101 48.861 -9.986 12.066 1.00 17.44 N ATOM 1263 CD2 HIS A 101 47.089 -10.833 11.073 1.00 17.35 C ATOM 1264 CE1 HIS A 101 49.246 -10.958 11.220 1.00 17.82 C ATOM 1265 NE2 HIS A 101 48.206 -11.509 10.589 1.00 17.79 N ATOM 0 H HIS A 101 48.458 -7.064 12.586 1.00 16.36 H new ATOM 0 HA HIS A 101 46.016 -7.722 11.113 1.00 16.65 H new ATOM 0 HB2 HIS A 101 47.229 -8.709 13.741 1.00 16.80 H new ATOM 0 HB3 HIS A 101 45.735 -9.324 13.064 1.00 16.80 H new ATOM 0 HD2 HIS A 101 46.069 -11.023 10.773 1.00 17.35 H new ATOM 0 HE1 HIS A 101 50.273 -11.257 11.069 1.00 17.82 H new ATOM 0 HE2 HIS A 101 48.226 -12.262 9.901 1.00 17.79 H new ATOM 1273 N HIS A 102 46.058 -5.738 13.674 1.00 17.03 N ATOM 1274 CA HIS A 102 45.226 -4.895 14.528 1.00 17.46 C ATOM 1275 C HIS A 102 44.133 -4.204 13.720 1.00 17.73 C ATOM 1276 O HIS A 102 43.004 -4.058 14.189 1.00 18.10 O ATOM 1277 CB HIS A 102 46.094 -3.840 15.218 1.00 17.62 C ATOM 1278 CG HIS A 102 45.332 -2.984 16.193 1.00 17.77 C ATOM 1279 ND1 HIS A 102 44.797 -3.494 17.365 1.00 17.75 N ATOM 1280 CD2 HIS A 102 45.004 -1.650 16.181 1.00 18.09 C ATOM 1281 CE1 HIS A 102 44.185 -2.483 18.005 1.00 18.05 C ATOM 1282 NE2 HIS A 102 44.280 -1.336 17.327 1.00 18.27 N ATOM 0 H HIS A 102 47.056 -5.530 13.715 1.00 17.03 H new ATOM 0 HA HIS A 102 44.753 -5.532 15.276 1.00 17.46 H new ATOM 0 HB2 HIS A 102 46.909 -4.338 15.743 1.00 17.62 H new ATOM 0 HB3 HIS A 102 46.546 -3.200 14.460 1.00 17.62 H new ATOM 0 HD2 HIS A 102 45.268 -0.951 15.401 1.00 18.09 H new ATOM 0 HE1 HIS A 102 43.678 -2.586 18.953 1.00 18.05 H new ATOM 0 HE2 HIS A 102 43.903 -0.426 17.592 1.00 18.27 H new ATOM 1290 N HIS A 103 44.469 -3.778 12.506 1.00 17.69 N ATOM 1291 CA HIS A 103 43.497 -3.111 11.648 1.00 18.12 C ATOM 1292 C HIS A 103 42.316 -4.032 11.361 1.00 18.52 C ATOM 1293 O HIS A 103 42.471 -5.250 11.279 1.00 18.82 O ATOM 1294 CB HIS A 103 44.158 -2.695 10.334 1.00 18.07 C ATOM 1295 CG HIS A 103 45.189 -1.612 10.501 1.00 18.13 C ATOM 1296 ND1 HIS A 103 46.522 -1.895 10.752 1.00 18.35 N ATOM 1297 CD2 HIS A 103 45.097 -0.243 10.461 1.00 18.15 C ATOM 1298 CE1 HIS A 103 47.174 -0.723 10.851 1.00 18.49 C ATOM 1299 NE2 HIS A 103 46.353 0.317 10.682 1.00 18.38 N ATOM 0 H HIS A 103 45.398 -3.882 12.098 1.00 17.69 H new ATOM 0 HA HIS A 103 43.132 -2.223 12.165 1.00 18.12 H new ATOM 0 HB2 HIS A 103 44.628 -3.567 9.880 1.00 18.07 H new ATOM 0 HB3 HIS A 103 43.389 -2.351 9.642 1.00 18.07 H new ATOM 0 HD2 HIS A 103 44.189 0.315 10.285 1.00 18.15 H new ATOM 0 HE1 HIS A 103 48.233 -0.634 11.044 1.00 18.49 H new ATOM 0 HE2 HIS A 103 46.594 1.308 10.709 1.00 18.38 H new ATOM 1307 N HIS A 104 41.134 -3.441 11.210 1.00 18.68 N ATOM 1308 CA HIS A 104 39.926 -4.215 10.942 1.00 19.22 C ATOM 1309 C HIS A 104 39.129 -3.582 9.805 1.00 19.40 C ATOM 1310 O HIS A 104 38.976 -4.230 8.783 1.00 19.63 O ATOM 1311 CB HIS A 104 39.059 -4.278 12.200 1.00 19.83 C ATOM 1312 CG HIS A 104 37.854 -5.168 12.054 1.00 20.24 C ATOM 1313 ND1 HIS A 104 37.962 -6.542 11.925 1.00 20.20 N ATOM 1314 CD2 HIS A 104 36.509 -4.892 12.015 1.00 20.83 C ATOM 1315 CE1 HIS A 104 36.717 -7.039 11.816 1.00 20.75 C ATOM 1316 NE2 HIS A 104 35.793 -6.077 11.864 1.00 21.15 N ATOM 1317 OXT HIS A 104 38.683 -2.459 9.975 1.00 19.42 O ATOM 0 H HIS A 104 40.987 -2.433 11.268 1.00 18.68 H new ATOM 0 HA HIS A 104 40.218 -5.224 10.650 1.00 19.22 H new ATOM 0 HB2 HIS A 104 39.666 -4.635 13.032 1.00 19.83 H new ATOM 0 HB3 HIS A 104 38.729 -3.271 12.455 1.00 19.83 H new ATOM 0 HD2 HIS A 104 36.073 -3.907 12.090 1.00 20.83 H new ATOM 0 HE1 HIS A 104 36.492 -8.089 11.703 1.00 20.75 H new ATOM 0 HE2 HIS A 104 34.781 -6.186 11.803 1.00 21.15 H new TER 1325 HIS A 104