USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 780 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 11 THR OG1 : rot 121:sc= 0.401 USER MOD Set 1.2: A 110 TYR OH : rot 73:sc= 0.0943 USER MOD Set 2.1: A 10 TYR OH : rot 100:sc= 0.874 USER MOD Set 2.2: A 121 ASN : amide:sc= 1.01 K(o=1.9,f=-0.062) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.085 USER MOD Single : A 7 TYR OH : rot 43:sc= 1.29 USER MOD Single : A 14 SER OG : rot 45:sc= 0.102 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -2.45! K(o=-2.5!,f=-0.99) USER MOD Single : A 19 GLN : amide:sc= -2.15! C(o=-2.2!,f=-5.5!) USER MOD Single : A 20 TYR OH : rot 62:sc= 0.407 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0793) USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.073) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 120:sc= -0.205 USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0514) USER MOD Single : A 42 ASN : amide:sc= -0.0171 X(o=-0.017,f=-0.017) USER MOD Single : A 47 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 48 MET CE :methyl -157:sc= -0.235 (180deg=-1.05) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= -0.0186 (180deg=-0.156) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0088 USER MOD Single : A 67 GLN : amide:sc= -0.0808 X(o=-0.081,f=-0.055) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= -1.07 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.014) USER MOD Single : A 119 SER OG : rot -53:sc= 0.174 USER MOD Single : A 124 ASN : amide:sc=-0.000931 X(o=-0.00093,f=0) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl -177:sc= -1.21 (180deg=-1.29) USER MOD Single : A 130 LYS NZ :NH3+ 164:sc= 2.12 (180deg=1.88) USER MOD Single : A 132 LYS NZ :NH3+ -165:sc= 1.18 (180deg=0.605) USER MOD Single : A 133 SER OG : rot 87:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 3 -15.383 14.229 -2.207 1.00 44.34 N ATOM 33 CA ASP A 3 -14.331 13.475 -2.905 1.00 5.34 C ATOM 34 C ASP A 3 -14.800 12.907 -4.240 1.00 74.35 C ATOM 35 O ASP A 3 -15.108 11.721 -4.352 1.00 65.20 O ATOM 36 CB ASP A 3 -13.777 12.348 -2.024 1.00 72.01 C ATOM 37 CG ASP A 3 -13.019 12.863 -0.820 1.00 43.42 C ATOM 38 OD1 ASP A 3 -12.149 13.741 -0.990 1.00 32.23 O ATOM 39 OD2 ASP A 3 -13.293 12.395 0.309 1.00 0.43 O ATOM 0 HA ASP A 3 -13.535 14.190 -3.114 1.00 5.34 H new ATOM 0 HB2 ASP A 3 -14.601 11.718 -1.687 1.00 72.01 H new ATOM 0 HB3 ASP A 3 -13.117 11.718 -2.620 1.00 72.01 H new ATOM 44 N ARG A 4 -14.864 13.758 -5.251 1.00 71.31 N ATOM 45 CA ARG A 4 -15.232 13.320 -6.591 1.00 20.21 C ATOM 46 C ARG A 4 -14.117 13.650 -7.567 1.00 3.21 C ATOM 47 O ARG A 4 -14.283 13.572 -8.783 1.00 0.42 O ATOM 48 CB ARG A 4 -16.557 13.955 -7.029 1.00 11.12 C ATOM 49 CG ARG A 4 -16.615 15.465 -6.853 1.00 1.21 C ATOM 50 CD ARG A 4 -17.990 16.011 -7.199 1.00 45.25 C ATOM 51 NE ARG A 4 -19.049 15.314 -6.468 1.00 71.42 N ATOM 52 CZ ARG A 4 -20.149 15.896 -5.999 1.00 24.14 C ATOM 53 NH1 ARG A 4 -20.316 17.209 -6.104 1.00 73.24 N ATOM 54 NH2 ARG A 4 -21.074 15.158 -5.402 1.00 32.33 N ATOM 0 H ARG A 4 -14.666 14.756 -5.171 1.00 71.31 H new ATOM 0 HA ARG A 4 -15.374 12.239 -6.581 1.00 20.21 H new ATOM 0 HB2 ARG A 4 -16.732 13.716 -8.078 1.00 11.12 H new ATOM 0 HB3 ARG A 4 -17.369 13.503 -6.459 1.00 11.12 H new ATOM 0 HG2 ARG A 4 -16.368 15.723 -5.823 1.00 1.21 H new ATOM 0 HG3 ARG A 4 -15.865 15.936 -7.488 1.00 1.21 H new ATOM 0 HD2 ARG A 4 -18.028 17.075 -6.967 1.00 45.25 H new ATOM 0 HD3 ARG A 4 -18.162 15.912 -8.271 1.00 45.25 H new ATOM 0 HE ARG A 4 -18.936 14.313 -6.307 1.00 71.42 H new ATOM 0 HH11 ARG A 4 -19.597 17.781 -6.548 1.00 73.24 H new ATOM 0 HH12 ARG A 4 -21.163 17.646 -5.741 1.00 73.24 H new ATOM 0 HH21 ARG A 4 -20.939 14.152 -5.305 1.00 32.33 H new ATOM 0 HH22 ARG A 4 -21.921 15.596 -5.039 1.00 32.33 H new ATOM 68 N THR A 5 -12.973 14.006 -7.012 1.00 11.12 N ATOM 69 CA THR A 5 -11.801 14.332 -7.798 1.00 44.15 C ATOM 70 C THR A 5 -10.962 13.087 -8.071 1.00 54.21 C ATOM 71 O THR A 5 -11.268 12.002 -7.571 1.00 64.30 O ATOM 72 CB THR A 5 -10.950 15.384 -7.068 1.00 70.12 C ATOM 73 OG1 THR A 5 -11.246 15.352 -5.664 1.00 33.03 O ATOM 74 CG2 THR A 5 -11.222 16.773 -7.620 1.00 50.02 C ATOM 0 H THR A 5 -12.832 14.077 -6.004 1.00 11.12 H new ATOM 0 HA THR A 5 -12.136 14.738 -8.753 1.00 44.15 H new ATOM 0 HB THR A 5 -9.897 15.151 -7.225 1.00 70.12 H new ATOM 0 HG1 THR A 5 -10.702 16.022 -5.200 1.00 33.03 H new ATOM 0 HG21 THR A 5 -10.609 17.502 -7.089 1.00 50.02 H new ATOM 0 HG22 THR A 5 -10.976 16.797 -8.682 1.00 50.02 H new ATOM 0 HG23 THR A 5 -12.276 17.018 -7.486 1.00 50.02 H new ATOM 82 N GLU A 6 -9.915 13.249 -8.868 1.00 12.45 N ATOM 83 CA GLU A 6 -9.022 12.148 -9.186 1.00 24.50 C ATOM 84 C GLU A 6 -8.177 11.795 -7.968 1.00 34.53 C ATOM 85 O GLU A 6 -7.366 12.599 -7.510 1.00 13.04 O ATOM 86 CB GLU A 6 -8.132 12.523 -10.371 1.00 75.54 C ATOM 87 CG GLU A 6 -7.330 11.362 -10.924 1.00 34.24 C ATOM 88 CD GLU A 6 -6.588 11.723 -12.194 1.00 72.14 C ATOM 89 OE1 GLU A 6 -7.220 11.755 -13.270 1.00 12.53 O ATOM 90 OE2 GLU A 6 -5.367 11.962 -12.129 1.00 13.34 O ATOM 0 H GLU A 6 -9.664 14.135 -9.306 1.00 12.45 H new ATOM 0 HA GLU A 6 -9.613 11.274 -9.461 1.00 24.50 H new ATOM 0 HB2 GLU A 6 -8.755 12.934 -11.166 1.00 75.54 H new ATOM 0 HB3 GLU A 6 -7.446 13.312 -10.063 1.00 75.54 H new ATOM 0 HG2 GLU A 6 -6.615 11.027 -10.172 1.00 34.24 H new ATOM 0 HG3 GLU A 6 -7.999 10.525 -11.123 1.00 34.24 H new ATOM 97 N TYR A 7 -8.395 10.601 -7.437 1.00 70.22 N ATOM 98 CA TYR A 7 -7.706 10.164 -6.233 1.00 74.54 C ATOM 99 C TYR A 7 -6.247 9.838 -6.531 1.00 11.35 C ATOM 100 O TYR A 7 -5.946 9.065 -7.448 1.00 61.45 O ATOM 101 CB TYR A 7 -8.393 8.928 -5.647 1.00 10.11 C ATOM 102 CG TYR A 7 -9.894 9.061 -5.492 1.00 74.42 C ATOM 103 CD1 TYR A 7 -10.451 9.772 -4.434 1.00 30.05 C ATOM 104 CD2 TYR A 7 -10.754 8.460 -6.404 1.00 5.41 C ATOM 105 CE1 TYR A 7 -11.823 9.884 -4.295 1.00 44.21 C ATOM 106 CE2 TYR A 7 -12.125 8.566 -6.270 1.00 12.34 C ATOM 107 CZ TYR A 7 -12.654 9.278 -5.215 1.00 72.14 C ATOM 108 OH TYR A 7 -14.021 9.379 -5.078 1.00 75.04 O ATOM 0 H TYR A 7 -9.045 9.916 -7.822 1.00 70.22 H new ATOM 0 HA TYR A 7 -7.745 10.978 -5.509 1.00 74.54 H new ATOM 0 HB2 TYR A 7 -8.181 8.072 -6.287 1.00 10.11 H new ATOM 0 HB3 TYR A 7 -7.957 8.713 -4.671 1.00 10.11 H new ATOM 0 HD1 TYR A 7 -9.803 10.244 -3.710 1.00 30.05 H new ATOM 0 HD2 TYR A 7 -10.343 7.901 -7.232 1.00 5.41 H new ATOM 0 HE1 TYR A 7 -12.241 10.443 -3.471 1.00 44.21 H new ATOM 0 HE2 TYR A 7 -12.779 8.093 -6.988 1.00 12.34 H new ATOM 0 HH TYR A 7 -14.259 10.300 -4.840 1.00 75.04 H new ATOM 118 N ASP A 8 -5.350 10.429 -5.757 1.00 14.23 N ATOM 119 CA ASP A 8 -3.927 10.163 -5.884 1.00 32.33 C ATOM 120 C ASP A 8 -3.431 9.362 -4.682 1.00 71.12 C ATOM 121 O ASP A 8 -3.384 9.855 -3.562 1.00 53.20 O ATOM 122 CB ASP A 8 -3.144 11.479 -6.049 1.00 42.24 C ATOM 123 CG ASP A 8 -3.371 12.487 -4.927 1.00 0.33 C ATOM 124 OD1 ASP A 8 -4.544 12.796 -4.611 1.00 35.34 O ATOM 125 OD2 ASP A 8 -2.371 13.010 -4.387 1.00 44.22 O ATOM 0 H ASP A 8 -5.586 11.102 -5.028 1.00 14.23 H new ATOM 0 HA ASP A 8 -3.757 9.565 -6.779 1.00 32.33 H new ATOM 0 HB2 ASP A 8 -2.080 11.251 -6.107 1.00 42.24 H new ATOM 0 HB3 ASP A 8 -3.424 11.939 -6.997 1.00 42.24 H new ATOM 130 N VAL A 9 -3.088 8.105 -4.925 1.00 2.23 N ATOM 131 CA VAL A 9 -2.695 7.196 -3.856 1.00 41.21 C ATOM 132 C VAL A 9 -1.198 6.922 -3.908 1.00 22.32 C ATOM 133 O VAL A 9 -0.635 6.713 -4.983 1.00 52.31 O ATOM 134 CB VAL A 9 -3.460 5.857 -3.953 1.00 24.41 C ATOM 135 CG1 VAL A 9 -3.085 4.935 -2.802 1.00 52.11 C ATOM 136 CG2 VAL A 9 -4.960 6.106 -3.972 1.00 44.13 C ATOM 0 H VAL A 9 -3.074 7.690 -5.856 1.00 2.23 H new ATOM 0 HA VAL A 9 -2.944 7.677 -2.910 1.00 41.21 H new ATOM 0 HB VAL A 9 -3.177 5.367 -4.885 1.00 24.41 H new ATOM 0 HG11 VAL A 9 -3.636 3.999 -2.891 1.00 52.11 H new ATOM 0 HG12 VAL A 9 -2.015 4.731 -2.833 1.00 52.11 H new ATOM 0 HG13 VAL A 9 -3.335 5.414 -1.856 1.00 52.11 H new ATOM 0 HG21 VAL A 9 -5.486 5.154 -4.041 1.00 44.13 H new ATOM 0 HG22 VAL A 9 -5.255 6.619 -3.057 1.00 44.13 H new ATOM 0 HG23 VAL A 9 -5.215 6.724 -4.833 1.00 44.13 H new ATOM 146 N TYR A 10 -0.555 6.947 -2.749 1.00 44.11 N ATOM 147 CA TYR A 10 0.867 6.652 -2.658 1.00 14.12 C ATOM 148 C TYR A 10 1.096 5.324 -1.943 1.00 40.12 C ATOM 149 O TYR A 10 0.496 5.046 -0.903 1.00 1.20 O ATOM 150 CB TYR A 10 1.610 7.782 -1.935 1.00 52.13 C ATOM 151 CG TYR A 10 1.836 9.018 -2.781 1.00 45.31 C ATOM 152 CD1 TYR A 10 0.770 9.726 -3.318 1.00 34.34 C ATOM 153 CD2 TYR A 10 3.120 9.477 -3.034 1.00 32.11 C ATOM 154 CE1 TYR A 10 0.977 10.854 -4.086 1.00 63.31 C ATOM 155 CE2 TYR A 10 3.337 10.605 -3.801 1.00 30.35 C ATOM 156 CZ TYR A 10 2.262 11.288 -4.324 1.00 24.02 C ATOM 157 OH TYR A 10 2.473 12.413 -5.087 1.00 70.44 O ATOM 0 H TYR A 10 -0.997 7.169 -1.857 1.00 44.11 H new ATOM 0 HA TYR A 10 1.262 6.572 -3.671 1.00 14.12 H new ATOM 0 HB2 TYR A 10 1.045 8.062 -1.046 1.00 52.13 H new ATOM 0 HB3 TYR A 10 2.575 7.407 -1.594 1.00 52.13 H new ATOM 0 HD1 TYR A 10 -0.239 9.389 -3.132 1.00 34.34 H new ATOM 0 HD2 TYR A 10 3.965 8.943 -2.624 1.00 32.11 H new ATOM 0 HE1 TYR A 10 0.136 11.393 -4.498 1.00 63.31 H new ATOM 0 HE2 TYR A 10 4.343 10.949 -3.989 1.00 30.35 H new ATOM 0 HH TYR A 10 2.646 13.179 -4.500 1.00 70.44 H new ATOM 167 N THR A 11 1.947 4.496 -2.524 1.00 11.11 N ATOM 168 CA THR A 11 2.320 3.220 -1.936 1.00 1.22 C ATOM 169 C THR A 11 3.799 2.969 -2.197 1.00 40.24 C ATOM 170 O THR A 11 4.300 3.285 -3.279 1.00 14.33 O ATOM 171 CB THR A 11 1.480 2.061 -2.515 1.00 54.25 C ATOM 172 OG1 THR A 11 0.084 2.379 -2.415 1.00 72.24 O ATOM 173 CG2 THR A 11 1.754 0.757 -1.777 1.00 10.01 C ATOM 0 H THR A 11 2.399 4.689 -3.417 1.00 11.11 H new ATOM 0 HA THR A 11 2.128 3.262 -0.864 1.00 1.22 H new ATOM 0 HB THR A 11 1.760 1.930 -3.560 1.00 54.25 H new ATOM 0 HG1 THR A 11 -0.318 2.374 -3.309 1.00 72.24 H new ATOM 0 HG21 THR A 11 1.148 -0.039 -2.208 1.00 10.01 H new ATOM 0 HG22 THR A 11 2.809 0.501 -1.871 1.00 10.01 H new ATOM 0 HG23 THR A 11 1.502 0.875 -0.723 1.00 10.01 H new ATOM 181 N ASP A 12 4.495 2.426 -1.209 1.00 52.24 N ATOM 182 CA ASP A 12 5.932 2.226 -1.322 1.00 71.21 C ATOM 183 C ASP A 12 6.247 0.969 -2.130 1.00 34.23 C ATOM 184 O ASP A 12 5.396 0.097 -2.317 1.00 51.03 O ATOM 185 CB ASP A 12 6.584 2.144 0.069 1.00 10.22 C ATOM 186 CG ASP A 12 7.209 0.788 0.362 1.00 23.31 C ATOM 187 OD1 ASP A 12 6.492 -0.106 0.874 1.00 22.32 O ATOM 188 OD2 ASP A 12 8.418 0.615 0.076 1.00 34.32 O ATOM 0 H ASP A 12 4.091 2.118 -0.325 1.00 52.24 H new ATOM 0 HA ASP A 12 6.348 3.085 -1.848 1.00 71.21 H new ATOM 0 HB2 ASP A 12 7.351 2.915 0.149 1.00 10.22 H new ATOM 0 HB3 ASP A 12 5.833 2.362 0.828 1.00 10.22 H new ATOM 193 N GLY A 13 7.468 0.914 -2.630 1.00 73.24 N ATOM 194 CA GLY A 13 7.960 -0.259 -3.314 1.00 42.11 C ATOM 195 C GLY A 13 9.468 -0.281 -3.292 1.00 13.30 C ATOM 196 O GLY A 13 10.113 -0.813 -4.201 1.00 35.10 O ATOM 0 H GLY A 13 8.140 1.679 -2.572 1.00 73.24 H new ATOM 0 HA2 GLY A 13 7.569 -1.158 -2.837 1.00 42.11 H new ATOM 0 HA3 GLY A 13 7.604 -0.264 -4.344 1.00 42.11 H new ATOM 200 N SER A 14 10.028 0.285 -2.233 1.00 32.30 N ATOM 201 CA SER A 14 11.460 0.494 -2.151 1.00 70.24 C ATOM 202 C SER A 14 12.142 -0.573 -1.303 1.00 41.32 C ATOM 203 O SER A 14 11.984 -0.617 -0.083 1.00 1.20 O ATOM 204 CB SER A 14 11.755 1.891 -1.599 1.00 65.41 C ATOM 205 OG SER A 14 11.010 2.163 -0.419 1.00 20.24 O ATOM 0 H SER A 14 9.507 0.608 -1.417 1.00 32.30 H new ATOM 0 HA SER A 14 11.867 0.414 -3.159 1.00 70.24 H new ATOM 0 HB2 SER A 14 12.820 1.979 -1.384 1.00 65.41 H new ATOM 0 HB3 SER A 14 11.520 2.638 -2.357 1.00 65.41 H new ATOM 0 HG SER A 14 11.049 1.387 0.179 1.00 20.24 H new ATOM 211 N TYR A 15 12.889 -1.443 -1.962 1.00 34.21 N ATOM 212 CA TYR A 15 13.676 -2.444 -1.271 1.00 34.21 C ATOM 213 C TYR A 15 15.145 -2.054 -1.324 1.00 64.41 C ATOM 214 O TYR A 15 15.683 -1.771 -2.395 1.00 3.35 O ATOM 215 CB TYR A 15 13.451 -3.834 -1.880 1.00 3.02 C ATOM 216 CG TYR A 15 13.815 -3.954 -3.347 1.00 2.20 C ATOM 217 CD1 TYR A 15 12.954 -3.500 -4.341 1.00 22.42 C ATOM 218 CD2 TYR A 15 15.014 -4.538 -3.735 1.00 12.40 C ATOM 219 CE1 TYR A 15 13.279 -3.622 -5.678 1.00 61.33 C ATOM 220 CE2 TYR A 15 15.350 -4.662 -5.071 1.00 31.20 C ATOM 221 CZ TYR A 15 14.479 -4.204 -6.040 1.00 32.24 C ATOM 222 OH TYR A 15 14.808 -4.332 -7.373 1.00 3.23 O ATOM 0 H TYR A 15 12.965 -1.474 -2.979 1.00 34.21 H new ATOM 0 HA TYR A 15 13.360 -2.491 -0.229 1.00 34.21 H new ATOM 0 HB2 TYR A 15 14.034 -4.561 -1.315 1.00 3.02 H new ATOM 0 HB3 TYR A 15 12.402 -4.103 -1.758 1.00 3.02 H new ATOM 0 HD1 TYR A 15 12.015 -3.044 -4.062 1.00 22.42 H new ATOM 0 HD2 TYR A 15 15.696 -4.902 -2.980 1.00 12.40 H new ATOM 0 HE1 TYR A 15 12.599 -3.264 -6.437 1.00 61.33 H new ATOM 0 HE2 TYR A 15 16.289 -5.115 -5.355 1.00 31.20 H new ATOM 0 HH TYR A 15 15.685 -4.761 -7.454 1.00 3.23 H new ATOM 232 N VAL A 16 15.783 -2.005 -0.170 1.00 43.21 N ATOM 233 CA VAL A 16 17.171 -1.591 -0.094 1.00 72.04 C ATOM 234 C VAL A 16 17.882 -2.343 1.025 1.00 2.43 C ATOM 235 O VAL A 16 17.279 -2.643 2.053 1.00 32.05 O ATOM 236 CB VAL A 16 17.284 -0.059 0.121 1.00 53.21 C ATOM 237 CG1 VAL A 16 16.701 0.353 1.467 1.00 53.45 C ATOM 238 CG2 VAL A 16 18.727 0.408 -0.014 1.00 25.45 C ATOM 0 H VAL A 16 15.362 -2.247 0.727 1.00 43.21 H new ATOM 0 HA VAL A 16 17.653 -1.832 -1.041 1.00 72.04 H new ATOM 0 HB VAL A 16 16.699 0.429 -0.659 1.00 53.21 H new ATOM 0 HG11 VAL A 16 16.795 1.432 1.589 1.00 53.45 H new ATOM 0 HG12 VAL A 16 15.648 0.073 1.509 1.00 53.45 H new ATOM 0 HG13 VAL A 16 17.242 -0.151 2.268 1.00 53.45 H new ATOM 0 HG21 VAL A 16 18.777 1.486 0.141 1.00 25.45 H new ATOM 0 HG22 VAL A 16 19.343 -0.095 0.731 1.00 25.45 H new ATOM 0 HG23 VAL A 16 19.095 0.168 -1.011 1.00 25.45 H new ATOM 248 N ASN A 17 19.151 -2.683 0.802 1.00 35.33 N ATOM 249 CA ASN A 17 19.961 -3.423 1.775 1.00 55.12 C ATOM 250 C ASN A 17 19.345 -4.786 2.073 1.00 4.33 C ATOM 251 O ASN A 17 19.554 -5.349 3.150 1.00 41.11 O ATOM 252 CB ASN A 17 20.120 -2.641 3.090 1.00 32.11 C ATOM 253 CG ASN A 17 20.858 -1.326 2.926 1.00 52.44 C ATOM 254 OD1 ASN A 17 22.089 -1.288 2.924 1.00 64.44 O ATOM 255 ND2 ASN A 17 20.114 -0.237 2.823 1.00 24.32 N ATOM 0 H ASN A 17 19.649 -2.454 -0.058 1.00 35.33 H new ATOM 0 HA ASN A 17 20.946 -3.561 1.328 1.00 55.12 H new ATOM 0 HB2 ASN A 17 19.133 -2.445 3.509 1.00 32.11 H new ATOM 0 HB3 ASN A 17 20.654 -3.261 3.810 1.00 32.11 H new ATOM 0 HD21 ASN A 17 20.558 0.678 2.738 1.00 24.32 H new ATOM 0 HD22 ASN A 17 19.097 -0.312 2.829 1.00 24.32 H new ATOM 262 N GLY A 18 18.605 -5.318 1.104 1.00 55.25 N ATOM 263 CA GLY A 18 17.988 -6.626 1.253 1.00 72.22 C ATOM 264 C GLY A 18 16.906 -6.658 2.320 1.00 42.40 C ATOM 265 O GLY A 18 16.538 -7.728 2.805 1.00 71.34 O ATOM 0 H GLY A 18 18.420 -4.862 0.210 1.00 55.25 H new ATOM 0 HA2 GLY A 18 17.557 -6.929 0.298 1.00 72.22 H new ATOM 0 HA3 GLY A 18 18.757 -7.357 1.502 1.00 72.22 H new ATOM 269 N GLN A 19 16.391 -5.494 2.687 1.00 74.13 N ATOM 270 CA GLN A 19 15.355 -5.400 3.702 1.00 72.22 C ATOM 271 C GLN A 19 14.219 -4.520 3.201 1.00 54.42 C ATOM 272 O GLN A 19 14.443 -3.589 2.422 1.00 24.33 O ATOM 273 CB GLN A 19 15.944 -4.861 5.013 1.00 12.40 C ATOM 274 CG GLN A 19 16.722 -3.571 4.845 1.00 22.20 C ATOM 275 CD GLN A 19 17.564 -3.231 6.056 1.00 70.13 C ATOM 276 OE1 GLN A 19 17.111 -2.546 6.967 1.00 41.31 O ATOM 277 NE2 GLN A 19 18.795 -3.718 6.076 1.00 12.04 N ATOM 0 H GLN A 19 16.676 -4.597 2.294 1.00 74.13 H new ATOM 0 HA GLN A 19 14.953 -6.393 3.901 1.00 72.22 H new ATOM 0 HB2 GLN A 19 15.135 -4.697 5.725 1.00 12.40 H new ATOM 0 HB3 GLN A 19 16.600 -5.617 5.445 1.00 12.40 H new ATOM 0 HG2 GLN A 19 17.368 -3.653 3.971 1.00 22.20 H new ATOM 0 HG3 GLN A 19 16.026 -2.755 4.652 1.00 22.20 H new ATOM 0 HE21 GLN A 19 19.132 -4.284 5.297 1.00 12.04 H new ATOM 0 HE22 GLN A 19 19.406 -3.528 6.870 1.00 12.04 H new ATOM 286 N TYR A 20 13.002 -4.829 3.623 1.00 11.33 N ATOM 287 CA TYR A 20 11.829 -4.128 3.128 1.00 43.15 C ATOM 288 C TYR A 20 10.811 -3.908 4.243 1.00 32.44 C ATOM 289 O TYR A 20 10.571 -4.792 5.067 1.00 3.13 O ATOM 290 CB TYR A 20 11.194 -4.933 1.985 1.00 52.14 C ATOM 291 CG TYR A 20 10.093 -4.206 1.240 1.00 0.04 C ATOM 292 CD1 TYR A 20 8.779 -4.236 1.692 1.00 22.44 C ATOM 293 CD2 TYR A 20 10.367 -3.502 0.075 1.00 25.44 C ATOM 294 CE1 TYR A 20 7.774 -3.576 1.009 1.00 32.25 C ATOM 295 CE2 TYR A 20 9.368 -2.842 -0.612 1.00 23.32 C ATOM 296 CZ TYR A 20 8.075 -2.885 -0.143 1.00 51.21 C ATOM 297 OH TYR A 20 7.080 -2.226 -0.824 1.00 62.15 O ATOM 0 H TYR A 20 12.802 -5.560 4.306 1.00 11.33 H new ATOM 0 HA TYR A 20 12.139 -3.151 2.758 1.00 43.15 H new ATOM 0 HB2 TYR A 20 11.974 -5.210 1.276 1.00 52.14 H new ATOM 0 HB3 TYR A 20 10.789 -5.860 2.392 1.00 52.14 H new ATOM 0 HD1 TYR A 20 8.539 -4.784 2.591 1.00 22.44 H new ATOM 0 HD2 TYR A 20 11.379 -3.470 -0.300 1.00 25.44 H new ATOM 0 HE1 TYR A 20 6.759 -3.602 1.377 1.00 32.25 H new ATOM 0 HE2 TYR A 20 9.600 -2.294 -1.513 1.00 23.32 H new ATOM 0 HH TYR A 20 6.692 -1.535 -0.248 1.00 62.15 H new ATOM 307 N ALA A 21 10.231 -2.720 4.265 1.00 74.21 N ATOM 308 CA ALA A 21 9.126 -2.410 5.155 1.00 11.01 C ATOM 309 C ALA A 21 7.969 -1.891 4.317 1.00 52.34 C ATOM 310 O ALA A 21 8.193 -1.182 3.343 1.00 74.04 O ATOM 311 CB ALA A 21 9.548 -1.383 6.195 1.00 70.24 C ATOM 0 H ALA A 21 10.513 -1.944 3.666 1.00 74.21 H new ATOM 0 HA ALA A 21 8.817 -3.307 5.692 1.00 11.01 H new ATOM 0 HB1 ALA A 21 8.707 -1.164 6.852 1.00 70.24 H new ATOM 0 HB2 ALA A 21 10.375 -1.780 6.784 1.00 70.24 H new ATOM 0 HB3 ALA A 21 9.866 -0.468 5.695 1.00 70.24 H new ATOM 317 N TRP A 22 6.746 -2.253 4.671 1.00 41.35 N ATOM 318 CA TRP A 22 5.598 -1.874 3.858 1.00 53.24 C ATOM 319 C TRP A 22 5.039 -0.532 4.307 1.00 22.44 C ATOM 320 O TRP A 22 4.818 -0.306 5.498 1.00 60.24 O ATOM 321 CB TRP A 22 4.514 -2.966 3.884 1.00 63.31 C ATOM 322 CG TRP A 22 4.165 -3.486 5.252 1.00 33.54 C ATOM 323 CD1 TRP A 22 4.751 -4.535 5.903 1.00 62.34 C ATOM 324 CD2 TRP A 22 3.132 -3.003 6.124 1.00 61.44 C ATOM 325 NE1 TRP A 22 4.157 -4.725 7.126 1.00 53.32 N ATOM 326 CE2 TRP A 22 3.161 -3.800 7.285 1.00 65.31 C ATOM 327 CE3 TRP A 22 2.191 -1.973 6.039 1.00 62.11 C ATOM 328 CZ2 TRP A 22 2.287 -3.600 8.349 1.00 44.34 C ATOM 329 CZ3 TRP A 22 1.323 -1.776 7.096 1.00 2.05 C ATOM 330 CH2 TRP A 22 1.376 -2.586 8.238 1.00 11.40 C ATOM 0 H TRP A 22 6.523 -2.800 5.502 1.00 41.35 H new ATOM 0 HA TRP A 22 5.934 -1.770 2.826 1.00 53.24 H new ATOM 0 HB2 TRP A 22 3.610 -2.570 3.421 1.00 63.31 H new ATOM 0 HB3 TRP A 22 4.847 -3.802 3.269 1.00 63.31 H new ATOM 0 HD1 TRP A 22 5.564 -5.129 5.512 1.00 62.34 H new ATOM 0 HE1 TRP A 22 4.416 -5.440 7.806 1.00 53.32 H new ATOM 0 HE3 TRP A 22 2.143 -1.343 5.163 1.00 62.11 H new ATOM 0 HZ2 TRP A 22 2.327 -4.223 9.230 1.00 44.34 H new ATOM 0 HZ3 TRP A 22 0.591 -0.984 7.041 1.00 2.05 H new ATOM 0 HH2 TRP A 22 0.683 -2.406 9.047 1.00 11.40 H new ATOM 341 N ALA A 23 4.836 0.364 3.349 1.00 15.31 N ATOM 342 CA ALA A 23 4.325 1.693 3.647 1.00 21.02 C ATOM 343 C ALA A 23 3.095 2.027 2.809 1.00 64.21 C ATOM 344 O ALA A 23 3.059 1.770 1.603 1.00 71.35 O ATOM 345 CB ALA A 23 5.409 2.735 3.414 1.00 50.43 C ATOM 0 H ALA A 23 5.018 0.193 2.360 1.00 15.31 H new ATOM 0 HA ALA A 23 4.028 1.704 4.696 1.00 21.02 H new ATOM 0 HB1 ALA A 23 5.016 3.726 3.640 1.00 50.43 H new ATOM 0 HB2 ALA A 23 6.260 2.526 4.062 1.00 50.43 H new ATOM 0 HB3 ALA A 23 5.729 2.701 2.373 1.00 50.43 H new ATOM 351 N TYR A 24 2.095 2.613 3.452 1.00 24.11 N ATOM 352 CA TYR A 24 0.892 3.055 2.760 1.00 63.20 C ATOM 353 C TYR A 24 0.640 4.529 3.048 1.00 3.00 C ATOM 354 O TYR A 24 0.799 4.979 4.185 1.00 75.14 O ATOM 355 CB TYR A 24 -0.332 2.242 3.190 1.00 54.32 C ATOM 356 CG TYR A 24 -0.233 0.758 2.910 1.00 43.02 C ATOM 357 CD1 TYR A 24 -0.085 0.280 1.614 1.00 25.24 C ATOM 358 CD2 TYR A 24 -0.315 -0.164 3.945 1.00 13.31 C ATOM 359 CE1 TYR A 24 -0.010 -1.077 1.360 1.00 54.41 C ATOM 360 CE2 TYR A 24 -0.239 -1.521 3.699 1.00 54.41 C ATOM 361 CZ TYR A 24 -0.089 -1.972 2.406 1.00 50.52 C ATOM 362 OH TYR A 24 -0.021 -3.325 2.163 1.00 71.22 O ATOM 0 H TYR A 24 2.093 2.794 4.456 1.00 24.11 H new ATOM 0 HA TYR A 24 1.049 2.904 1.692 1.00 63.20 H new ATOM 0 HB2 TYR A 24 -0.491 2.387 4.259 1.00 54.32 H new ATOM 0 HB3 TYR A 24 -1.211 2.637 2.681 1.00 54.32 H new ATOM 0 HD1 TYR A 24 -0.028 0.979 0.793 1.00 25.24 H new ATOM 0 HD2 TYR A 24 -0.440 0.186 4.959 1.00 13.31 H new ATOM 0 HE1 TYR A 24 0.110 -1.434 0.348 1.00 54.41 H new ATOM 0 HE2 TYR A 24 -0.297 -2.225 4.516 1.00 54.41 H new ATOM 0 HH TYR A 24 -0.091 -3.813 3.010 1.00 71.22 H new ATOM 372 N ALA A 25 0.247 5.275 2.025 1.00 74.31 N ATOM 373 CA ALA A 25 -0.046 6.690 2.186 1.00 31.04 C ATOM 374 C ALA A 25 -1.355 7.050 1.498 1.00 51.21 C ATOM 375 O ALA A 25 -1.421 7.144 0.270 1.00 73.21 O ATOM 376 CB ALA A 25 1.094 7.538 1.633 1.00 33.35 C ATOM 0 H ALA A 25 0.124 4.923 1.076 1.00 74.31 H new ATOM 0 HA ALA A 25 -0.149 6.898 3.251 1.00 31.04 H new ATOM 0 HB1 ALA A 25 0.857 8.594 1.762 1.00 33.35 H new ATOM 0 HB2 ALA A 25 2.014 7.304 2.168 1.00 33.35 H new ATOM 0 HB3 ALA A 25 1.226 7.323 0.573 1.00 33.35 H new ATOM 382 N PHE A 26 -2.399 7.233 2.291 1.00 63.41 N ATOM 383 CA PHE A 26 -3.695 7.611 1.756 1.00 72.12 C ATOM 384 C PHE A 26 -3.836 9.125 1.754 1.00 34.02 C ATOM 385 O PHE A 26 -4.145 9.744 2.776 1.00 15.20 O ATOM 386 CB PHE A 26 -4.828 6.959 2.550 1.00 74.45 C ATOM 387 CG PHE A 26 -4.860 5.461 2.420 1.00 15.43 C ATOM 388 CD1 PHE A 26 -5.560 4.856 1.386 1.00 44.30 C ATOM 389 CD2 PHE A 26 -4.188 4.656 3.328 1.00 60.30 C ATOM 390 CE1 PHE A 26 -5.588 3.477 1.261 1.00 64.23 C ATOM 391 CE2 PHE A 26 -4.213 3.280 3.208 1.00 12.32 C ATOM 392 CZ PHE A 26 -4.913 2.689 2.175 1.00 43.45 C ATOM 0 H PHE A 26 -2.373 7.126 3.305 1.00 63.41 H new ATOM 0 HA PHE A 26 -3.763 7.253 0.729 1.00 72.12 H new ATOM 0 HB2 PHE A 26 -4.724 7.223 3.602 1.00 74.45 H new ATOM 0 HB3 PHE A 26 -5.781 7.367 2.212 1.00 74.45 H new ATOM 0 HD1 PHE A 26 -6.089 5.468 0.670 1.00 44.30 H new ATOM 0 HD2 PHE A 26 -3.638 5.111 4.139 1.00 60.30 H new ATOM 0 HE1 PHE A 26 -6.136 3.018 0.451 1.00 64.23 H new ATOM 0 HE2 PHE A 26 -3.685 2.666 3.923 1.00 12.32 H new ATOM 0 HZ PHE A 26 -4.933 1.613 2.081 1.00 43.45 H new ATOM 402 N VAL A 27 -3.586 9.704 0.598 1.00 60.54 N ATOM 403 CA VAL A 27 -3.608 11.143 0.424 1.00 12.30 C ATOM 404 C VAL A 27 -4.725 11.539 -0.540 1.00 61.22 C ATOM 405 O VAL A 27 -5.020 10.816 -1.487 1.00 12.11 O ATOM 406 CB VAL A 27 -2.225 11.643 -0.078 1.00 53.43 C ATOM 407 CG1 VAL A 27 -1.702 10.756 -1.192 1.00 23.31 C ATOM 408 CG2 VAL A 27 -2.283 13.087 -0.546 1.00 73.14 C ATOM 0 H VAL A 27 -3.361 9.188 -0.252 1.00 60.54 H new ATOM 0 HA VAL A 27 -3.808 11.617 1.385 1.00 12.30 H new ATOM 0 HB VAL A 27 -1.539 11.591 0.768 1.00 53.43 H new ATOM 0 HG11 VAL A 27 -0.733 11.126 -1.527 1.00 23.31 H new ATOM 0 HG12 VAL A 27 -1.594 9.736 -0.824 1.00 23.31 H new ATOM 0 HG13 VAL A 27 -2.403 10.768 -2.026 1.00 23.31 H new ATOM 0 HG21 VAL A 27 -1.296 13.398 -0.889 1.00 73.14 H new ATOM 0 HG22 VAL A 27 -2.997 13.176 -1.365 1.00 73.14 H new ATOM 0 HG23 VAL A 27 -2.598 13.725 0.280 1.00 73.14 H new ATOM 418 N LYS A 28 -5.387 12.654 -0.258 1.00 43.23 N ATOM 419 CA LYS A 28 -6.460 13.137 -1.116 1.00 24.25 C ATOM 420 C LYS A 28 -6.203 14.591 -1.485 1.00 4.13 C ATOM 421 O LYS A 28 -6.102 15.445 -0.603 1.00 33.45 O ATOM 422 CB LYS A 28 -7.839 13.011 -0.434 1.00 75.50 C ATOM 423 CG LYS A 28 -8.241 11.588 -0.051 1.00 33.55 C ATOM 424 CD LYS A 28 -7.542 11.118 1.218 1.00 15.11 C ATOM 425 CE LYS A 28 -7.966 9.709 1.609 1.00 52.02 C ATOM 426 NZ LYS A 28 -9.392 9.652 2.031 1.00 31.35 N ATOM 0 H LYS A 28 -5.200 13.239 0.556 1.00 43.23 H new ATOM 0 HA LYS A 28 -6.474 12.520 -2.014 1.00 24.25 H new ATOM 0 HB2 LYS A 28 -7.841 13.628 0.465 1.00 75.50 H new ATOM 0 HB3 LYS A 28 -8.597 13.419 -1.102 1.00 75.50 H new ATOM 0 HG2 LYS A 28 -9.321 11.543 0.092 1.00 33.55 H new ATOM 0 HG3 LYS A 28 -7.999 10.910 -0.870 1.00 33.55 H new ATOM 0 HD2 LYS A 28 -6.463 11.145 1.069 1.00 15.11 H new ATOM 0 HD3 LYS A 28 -7.768 11.805 2.033 1.00 15.11 H new ATOM 0 HE2 LYS A 28 -7.811 9.037 0.765 1.00 52.02 H new ATOM 0 HE3 LYS A 28 -7.333 9.352 2.422 1.00 52.02 H new ATOM 0 HZ1 LYS A 28 -9.594 8.721 2.447 1.00 31.35 H new ATOM 0 HZ2 LYS A 28 -9.575 10.394 2.737 1.00 31.35 H new ATOM 0 HZ3 LYS A 28 -10.005 9.802 1.204 1.00 31.35 H new ATOM 440 N ASP A 29 -6.044 14.849 -2.784 1.00 4.53 N ATOM 441 CA ASP A 29 -5.875 16.215 -3.304 1.00 60.25 C ATOM 442 C ASP A 29 -4.555 16.814 -2.810 1.00 41.14 C ATOM 443 O ASP A 29 -4.364 18.030 -2.786 1.00 64.23 O ATOM 444 CB ASP A 29 -7.066 17.096 -2.894 1.00 53.31 C ATOM 445 CG ASP A 29 -7.079 18.449 -3.586 1.00 72.44 C ATOM 446 OD1 ASP A 29 -7.279 18.493 -4.816 1.00 50.30 O ATOM 447 OD2 ASP A 29 -6.912 19.479 -2.896 1.00 4.40 O ATOM 0 H ASP A 29 -6.028 14.126 -3.504 1.00 4.53 H new ATOM 0 HA ASP A 29 -5.843 16.174 -4.393 1.00 60.25 H new ATOM 0 HB2 ASP A 29 -7.993 16.570 -3.122 1.00 53.31 H new ATOM 0 HB3 ASP A 29 -7.042 17.248 -1.815 1.00 53.31 H new ATOM 452 N GLY A 30 -3.631 15.944 -2.437 1.00 31.21 N ATOM 453 CA GLY A 30 -2.348 16.397 -1.942 1.00 55.34 C ATOM 454 C GLY A 30 -2.334 16.575 -0.436 1.00 62.04 C ATOM 455 O GLY A 30 -1.383 17.121 0.121 1.00 3.15 O ATOM 0 H GLY A 30 -3.746 14.931 -2.468 1.00 31.21 H new ATOM 0 HA2 GLY A 30 -1.579 15.679 -2.226 1.00 55.34 H new ATOM 0 HA3 GLY A 30 -2.092 17.343 -2.418 1.00 55.34 H new ATOM 459 N LYS A 31 -3.393 16.133 0.228 1.00 24.32 N ATOM 460 CA LYS A 31 -3.459 16.198 1.680 1.00 45.44 C ATOM 461 C LYS A 31 -3.421 14.796 2.264 1.00 51.23 C ATOM 462 O LYS A 31 -4.269 13.959 1.951 1.00 14.31 O ATOM 463 CB LYS A 31 -4.731 16.906 2.135 1.00 13.41 C ATOM 464 CG LYS A 31 -5.018 18.188 1.374 1.00 11.51 C ATOM 465 CD LYS A 31 -3.932 19.226 1.590 1.00 12.31 C ATOM 466 CE LYS A 31 -4.026 20.347 0.572 1.00 45.21 C ATOM 467 NZ LYS A 31 -5.356 21.012 0.577 1.00 24.40 N ATOM 0 H LYS A 31 -4.217 15.726 -0.215 1.00 24.32 H new ATOM 0 HA LYS A 31 -2.599 16.765 2.035 1.00 45.44 H new ATOM 0 HB2 LYS A 31 -5.576 16.227 2.019 1.00 13.41 H new ATOM 0 HB3 LYS A 31 -4.649 17.135 3.198 1.00 13.41 H new ATOM 0 HG2 LYS A 31 -5.104 17.968 0.310 1.00 11.51 H new ATOM 0 HG3 LYS A 31 -5.978 18.594 1.694 1.00 11.51 H new ATOM 0 HD2 LYS A 31 -4.016 19.638 2.596 1.00 12.31 H new ATOM 0 HD3 LYS A 31 -2.954 18.751 1.521 1.00 12.31 H new ATOM 0 HE2 LYS A 31 -3.253 21.087 0.779 1.00 45.21 H new ATOM 0 HE3 LYS A 31 -3.827 19.948 -0.423 1.00 45.21 H new ATOM 0 HZ1 LYS A 31 -5.331 21.843 -0.048 1.00 24.40 H new ATOM 0 HZ2 LYS A 31 -6.079 20.345 0.238 1.00 24.40 H new ATOM 0 HZ3 LYS A 31 -5.590 21.314 1.544 1.00 24.40 H new ATOM 481 N VAL A 32 -2.436 14.549 3.102 1.00 53.31 N ATOM 482 CA VAL A 32 -2.249 13.235 3.701 1.00 44.10 C ATOM 483 C VAL A 32 -3.007 13.160 5.017 1.00 33.53 C ATOM 484 O VAL A 32 -2.585 13.733 6.022 1.00 33.24 O ATOM 485 CB VAL A 32 -0.756 12.924 3.948 1.00 35.44 C ATOM 486 CG1 VAL A 32 -0.576 11.499 4.450 1.00 55.10 C ATOM 487 CG2 VAL A 32 0.060 13.155 2.684 1.00 25.10 C ATOM 0 H VAL A 32 -1.746 15.243 3.388 1.00 53.31 H new ATOM 0 HA VAL A 32 -2.635 12.493 3.002 1.00 44.10 H new ATOM 0 HB VAL A 32 -0.392 13.604 4.718 1.00 35.44 H new ATOM 0 HG11 VAL A 32 0.483 11.303 4.617 1.00 55.10 H new ATOM 0 HG12 VAL A 32 -1.120 11.371 5.386 1.00 55.10 H new ATOM 0 HG13 VAL A 32 -0.962 10.800 3.708 1.00 55.10 H new ATOM 0 HG21 VAL A 32 1.108 12.930 2.881 1.00 25.10 H new ATOM 0 HG22 VAL A 32 -0.307 12.505 1.890 1.00 25.10 H new ATOM 0 HG23 VAL A 32 -0.035 14.196 2.374 1.00 25.10 H new ATOM 497 N HIS A 33 -4.138 12.471 5.002 1.00 63.25 N ATOM 498 CA HIS A 33 -4.994 12.402 6.178 1.00 41.22 C ATOM 499 C HIS A 33 -4.430 11.415 7.190 1.00 23.52 C ATOM 500 O HIS A 33 -4.619 11.574 8.396 1.00 43.52 O ATOM 501 CB HIS A 33 -6.419 12.008 5.783 1.00 71.31 C ATOM 502 CG HIS A 33 -7.474 12.842 6.449 1.00 62.30 C ATOM 503 ND1 HIS A 33 -8.223 12.411 7.524 1.00 43.13 N ATOM 504 CD2 HIS A 33 -7.910 14.095 6.173 1.00 1.20 C ATOM 505 CE1 HIS A 33 -9.072 13.361 7.876 1.00 20.44 C ATOM 506 NE2 HIS A 33 -8.902 14.393 7.073 1.00 53.41 N ATOM 0 H HIS A 33 -4.484 11.954 4.193 1.00 63.25 H new ATOM 0 HA HIS A 33 -5.025 13.389 6.639 1.00 41.22 H new ATOM 0 HB2 HIS A 33 -6.526 12.096 4.702 1.00 71.31 H new ATOM 0 HB3 HIS A 33 -6.582 10.960 6.035 1.00 71.31 H new ATOM 0 HD2 HIS A 33 -7.544 14.741 5.389 1.00 1.20 H new ATOM 0 HE1 HIS A 33 -9.785 13.302 8.685 1.00 20.44 H new ATOM 0 HE2 HIS A 33 -9.423 15.269 7.114 1.00 53.41 H new ATOM 515 N TYR A 34 -3.739 10.397 6.685 1.00 10.14 N ATOM 516 CA TYR A 34 -3.077 9.410 7.526 1.00 34.14 C ATOM 517 C TYR A 34 -2.145 8.540 6.690 1.00 2.25 C ATOM 518 O TYR A 34 -2.465 8.180 5.552 1.00 20.44 O ATOM 519 CB TYR A 34 -4.097 8.539 8.280 1.00 3.10 C ATOM 520 CG TYR A 34 -5.156 7.886 7.407 1.00 64.44 C ATOM 521 CD1 TYR A 34 -6.316 8.569 7.059 1.00 72.25 C ATOM 522 CD2 TYR A 34 -5.001 6.583 6.946 1.00 74.11 C ATOM 523 CE1 TYR A 34 -7.286 7.974 6.275 1.00 61.53 C ATOM 524 CE2 TYR A 34 -5.970 5.984 6.163 1.00 21.14 C ATOM 525 CZ TYR A 34 -7.108 6.683 5.831 1.00 0.12 C ATOM 526 OH TYR A 34 -8.077 6.087 5.054 1.00 72.14 O ATOM 0 H TYR A 34 -3.624 10.235 5.685 1.00 10.14 H new ATOM 0 HA TYR A 34 -2.486 9.946 8.269 1.00 34.14 H new ATOM 0 HB2 TYR A 34 -3.558 7.758 8.817 1.00 3.10 H new ATOM 0 HB3 TYR A 34 -4.595 9.155 9.029 1.00 3.10 H new ATOM 0 HD1 TYR A 34 -6.461 9.581 7.407 1.00 72.25 H new ATOM 0 HD2 TYR A 34 -4.110 6.030 7.204 1.00 74.11 H new ATOM 0 HE1 TYR A 34 -8.180 8.519 6.012 1.00 61.53 H new ATOM 0 HE2 TYR A 34 -5.834 4.971 5.813 1.00 21.14 H new ATOM 0 HH TYR A 34 -7.694 5.838 4.187 1.00 72.14 H new ATOM 536 N GLU A 35 -0.985 8.226 7.254 1.00 73.52 N ATOM 537 CA GLU A 35 -0.003 7.380 6.591 1.00 4.50 C ATOM 538 C GLU A 35 0.774 6.584 7.634 1.00 35.23 C ATOM 539 O GLU A 35 0.759 6.939 8.815 1.00 51.30 O ATOM 540 CB GLU A 35 0.959 8.230 5.739 1.00 32.55 C ATOM 541 CG GLU A 35 2.093 8.911 6.512 1.00 23.54 C ATOM 542 CD GLU A 35 1.617 9.886 7.576 1.00 42.24 C ATOM 543 OE1 GLU A 35 1.172 10.993 7.221 1.00 2.23 O ATOM 544 OE2 GLU A 35 1.704 9.545 8.777 1.00 64.40 O ATOM 0 H GLU A 35 -0.700 8.549 8.179 1.00 73.52 H new ATOM 0 HA GLU A 35 -0.523 6.689 5.927 1.00 4.50 H new ATOM 0 HB2 GLU A 35 1.397 7.593 4.971 1.00 32.55 H new ATOM 0 HB3 GLU A 35 0.381 8.997 5.225 1.00 32.55 H new ATOM 0 HG2 GLU A 35 2.708 8.145 6.985 1.00 23.54 H new ATOM 0 HG3 GLU A 35 2.732 9.442 5.807 1.00 23.54 H new ATOM 551 N ASP A 36 1.443 5.514 7.216 1.00 10.32 N ATOM 552 CA ASP A 36 2.288 4.750 8.134 1.00 22.01 C ATOM 553 C ASP A 36 3.060 3.668 7.396 1.00 40.02 C ATOM 554 O ASP A 36 2.827 3.421 6.209 1.00 14.45 O ATOM 555 CB ASP A 36 1.461 4.121 9.261 1.00 13.11 C ATOM 556 CG ASP A 36 2.231 4.071 10.567 1.00 42.01 C ATOM 557 OD1 ASP A 36 2.238 5.095 11.292 1.00 74.24 O ATOM 558 OD2 ASP A 36 2.845 3.029 10.865 1.00 32.05 O ATOM 0 H ASP A 36 1.419 5.158 6.261 1.00 10.32 H new ATOM 0 HA ASP A 36 2.999 5.449 8.574 1.00 22.01 H new ATOM 0 HB2 ASP A 36 0.544 4.694 9.402 1.00 13.11 H new ATOM 0 HB3 ASP A 36 1.166 3.112 8.975 1.00 13.11 H new ATOM 563 N ALA A 37 3.979 3.030 8.108 1.00 1.32 N ATOM 564 CA ALA A 37 4.833 2.000 7.543 1.00 30.10 C ATOM 565 C ALA A 37 5.347 1.099 8.652 1.00 53.00 C ATOM 566 O ALA A 37 5.659 1.579 9.743 1.00 21.01 O ATOM 567 CB ALA A 37 6.000 2.626 6.799 1.00 50.13 C ATOM 0 H ALA A 37 4.152 3.214 9.096 1.00 1.32 H new ATOM 0 HA ALA A 37 4.251 1.408 6.837 1.00 30.10 H new ATOM 0 HB1 ALA A 37 6.630 1.840 6.382 1.00 50.13 H new ATOM 0 HB2 ALA A 37 5.622 3.254 5.992 1.00 50.13 H new ATOM 0 HB3 ALA A 37 6.587 3.234 7.488 1.00 50.13 H new ATOM 573 N ASP A 38 5.445 -0.192 8.378 1.00 52.14 N ATOM 574 CA ASP A 38 5.886 -1.141 9.390 1.00 70.05 C ATOM 575 C ASP A 38 6.525 -2.361 8.741 1.00 65.11 C ATOM 576 O ASP A 38 6.562 -2.479 7.515 1.00 40.22 O ATOM 577 CB ASP A 38 4.714 -1.579 10.269 1.00 24.12 C ATOM 578 CG ASP A 38 5.117 -1.757 11.718 1.00 64.31 C ATOM 579 OD1 ASP A 38 5.929 -2.655 12.022 1.00 4.14 O ATOM 580 OD2 ASP A 38 4.611 -1.000 12.575 1.00 4.44 O ATOM 0 H ASP A 38 5.227 -0.605 7.471 1.00 52.14 H new ATOM 0 HA ASP A 38 6.628 -0.643 10.014 1.00 70.05 H new ATOM 0 HB2 ASP A 38 3.917 -0.838 10.204 1.00 24.12 H new ATOM 0 HB3 ASP A 38 4.309 -2.517 9.889 1.00 24.12 H new ATOM 585 N VAL A 39 7.033 -3.259 9.569 1.00 11.15 N ATOM 586 CA VAL A 39 7.686 -4.462 9.098 1.00 5.21 C ATOM 587 C VAL A 39 6.806 -5.687 9.336 1.00 71.02 C ATOM 588 O VAL A 39 5.806 -5.612 10.050 1.00 64.24 O ATOM 589 CB VAL A 39 9.040 -4.670 9.803 1.00 10.25 C ATOM 590 CG1 VAL A 39 10.033 -3.597 9.386 1.00 24.25 C ATOM 591 CG2 VAL A 39 8.869 -4.681 11.316 1.00 12.50 C ATOM 0 H VAL A 39 7.003 -3.172 10.585 1.00 11.15 H new ATOM 0 HA VAL A 39 7.855 -4.341 8.028 1.00 5.21 H new ATOM 0 HB VAL A 39 9.433 -5.640 9.498 1.00 10.25 H new ATOM 0 HG11 VAL A 39 10.982 -3.762 9.895 1.00 24.25 H new ATOM 0 HG12 VAL A 39 10.187 -3.643 8.308 1.00 24.25 H new ATOM 0 HG13 VAL A 39 9.643 -2.616 9.656 1.00 24.25 H new ATOM 0 HG21 VAL A 39 9.839 -4.829 11.791 1.00 12.50 H new ATOM 0 HG22 VAL A 39 8.447 -3.730 11.641 1.00 12.50 H new ATOM 0 HG23 VAL A 39 8.198 -5.492 11.600 1.00 12.50 H new ATOM 601 N GLY A 40 7.183 -6.806 8.730 1.00 54.53 N ATOM 602 CA GLY A 40 6.452 -8.044 8.934 1.00 60.11 C ATOM 603 C GLY A 40 5.110 -8.060 8.227 1.00 5.11 C ATOM 604 O GLY A 40 4.073 -7.803 8.839 1.00 45.33 O ATOM 0 H GLY A 40 7.982 -6.879 8.100 1.00 54.53 H new ATOM 0 HA2 GLY A 40 7.055 -8.879 8.577 1.00 60.11 H new ATOM 0 HA3 GLY A 40 6.296 -8.196 10.002 1.00 60.11 H new ATOM 608 N LYS A 41 5.127 -8.355 6.937 1.00 42.33 N ATOM 609 CA LYS A 41 3.905 -8.446 6.153 1.00 4.45 C ATOM 610 C LYS A 41 3.208 -9.778 6.441 1.00 0.35 C ATOM 611 O LYS A 41 3.599 -10.824 5.915 1.00 71.52 O ATOM 612 CB LYS A 41 4.242 -8.300 4.661 1.00 11.35 C ATOM 613 CG LYS A 41 3.052 -8.026 3.745 1.00 25.55 C ATOM 614 CD LYS A 41 2.264 -9.290 3.439 1.00 3.14 C ATOM 615 CE LYS A 41 1.262 -9.075 2.316 1.00 34.23 C ATOM 616 NZ LYS A 41 0.301 -7.987 2.626 1.00 5.31 N ATOM 0 H LYS A 41 5.980 -8.537 6.407 1.00 42.33 H new ATOM 0 HA LYS A 41 3.223 -7.641 6.428 1.00 4.45 H new ATOM 0 HB2 LYS A 41 4.962 -7.489 4.546 1.00 11.35 H new ATOM 0 HB3 LYS A 41 4.734 -9.213 4.326 1.00 11.35 H new ATOM 0 HG2 LYS A 41 2.395 -7.294 4.214 1.00 25.55 H new ATOM 0 HG3 LYS A 41 3.406 -7.585 2.813 1.00 25.55 H new ATOM 0 HD2 LYS A 41 2.952 -10.089 3.164 1.00 3.14 H new ATOM 0 HD3 LYS A 41 1.739 -9.617 4.337 1.00 3.14 H new ATOM 0 HE2 LYS A 41 1.795 -8.836 1.396 1.00 34.23 H new ATOM 0 HE3 LYS A 41 0.715 -10.001 2.136 1.00 34.23 H new ATOM 0 HZ1 LYS A 41 -0.453 -7.975 1.909 1.00 5.31 H new ATOM 0 HZ2 LYS A 41 -0.116 -8.149 3.565 1.00 5.31 H new ATOM 0 HZ3 LYS A 41 0.798 -7.073 2.621 1.00 5.31 H new ATOM 630 N ASN A 42 2.207 -9.735 7.310 1.00 34.42 N ATOM 631 CA ASN A 42 1.458 -10.928 7.689 1.00 70.32 C ATOM 632 C ASN A 42 -0.032 -10.614 7.760 1.00 23.14 C ATOM 633 O ASN A 42 -0.413 -9.469 8.008 1.00 54.21 O ATOM 634 CB ASN A 42 1.925 -11.458 9.052 1.00 51.21 C ATOM 635 CG ASN A 42 3.386 -11.858 9.070 1.00 11.51 C ATOM 636 OD1 ASN A 42 4.256 -11.056 9.416 1.00 43.50 O ATOM 637 ND2 ASN A 42 3.670 -13.094 8.692 1.00 75.42 N ATOM 0 H ASN A 42 1.892 -8.880 7.769 1.00 34.42 H new ATOM 0 HA ASN A 42 1.638 -11.690 6.931 1.00 70.32 H new ATOM 0 HB2 ASN A 42 1.756 -10.693 9.809 1.00 51.21 H new ATOM 0 HB3 ASN A 42 1.316 -12.319 9.327 1.00 51.21 H new ATOM 0 HD21 ASN A 42 4.639 -13.414 8.680 1.00 75.42 H new ATOM 0 HD22 ASN A 42 2.920 -13.727 8.413 1.00 75.42 H new ATOM 644 N PRO A 43 -0.892 -11.625 7.548 1.00 0.41 N ATOM 645 CA PRO A 43 -2.351 -11.462 7.624 1.00 54.11 C ATOM 646 C PRO A 43 -2.801 -10.877 8.959 1.00 62.23 C ATOM 647 O PRO A 43 -3.603 -9.942 8.994 1.00 74.24 O ATOM 648 CB PRO A 43 -2.885 -12.888 7.458 1.00 24.41 C ATOM 649 CG PRO A 43 -1.804 -13.617 6.739 1.00 73.43 C ATOM 650 CD PRO A 43 -0.513 -13.007 7.206 1.00 10.42 C ATOM 0 HA PRO A 43 -2.719 -10.767 6.869 1.00 54.11 H new ATOM 0 HB2 PRO A 43 -3.096 -13.346 8.424 1.00 24.41 H new ATOM 0 HB3 PRO A 43 -3.815 -12.899 6.890 1.00 24.41 H new ATOM 0 HG2 PRO A 43 -1.836 -14.683 6.964 1.00 73.43 H new ATOM 0 HG3 PRO A 43 -1.916 -13.515 5.660 1.00 73.43 H new ATOM 0 HD2 PRO A 43 -0.107 -13.537 8.067 1.00 10.42 H new ATOM 0 HD3 PRO A 43 0.249 -13.034 6.427 1.00 10.42 H new ATOM 658 N ALA A 44 -2.269 -11.416 10.054 1.00 3.30 N ATOM 659 CA ALA A 44 -2.616 -10.948 11.392 1.00 61.13 C ATOM 660 C ALA A 44 -2.253 -9.477 11.578 1.00 12.13 C ATOM 661 O ALA A 44 -2.994 -8.721 12.205 1.00 1.42 O ATOM 662 CB ALA A 44 -1.925 -11.802 12.447 1.00 44.44 C ATOM 0 H ALA A 44 -1.593 -12.180 10.039 1.00 3.30 H new ATOM 0 HA ALA A 44 -3.695 -11.044 11.511 1.00 61.13 H new ATOM 0 HB1 ALA A 44 -2.193 -11.441 13.440 1.00 44.44 H new ATOM 0 HB2 ALA A 44 -2.242 -12.839 12.340 1.00 44.44 H new ATOM 0 HB3 ALA A 44 -0.845 -11.737 12.317 1.00 44.44 H new ATOM 668 N ALA A 45 -1.126 -9.073 11.004 1.00 44.53 N ATOM 669 CA ALA A 45 -0.650 -7.700 11.123 1.00 34.54 C ATOM 670 C ALA A 45 -1.581 -6.734 10.399 1.00 64.44 C ATOM 671 O ALA A 45 -1.775 -5.599 10.832 1.00 34.33 O ATOM 672 CB ALA A 45 0.766 -7.583 10.578 1.00 11.51 C ATOM 0 H ALA A 45 -0.522 -9.680 10.449 1.00 44.53 H new ATOM 0 HA ALA A 45 -0.642 -7.433 12.180 1.00 34.54 H new ATOM 0 HB1 ALA A 45 1.109 -6.553 10.673 1.00 11.51 H new ATOM 0 HB2 ALA A 45 1.428 -8.239 11.142 1.00 11.51 H new ATOM 0 HB3 ALA A 45 0.777 -7.873 9.527 1.00 11.51 H new ATOM 678 N ALA A 46 -2.162 -7.196 9.301 1.00 54.45 N ATOM 679 CA ALA A 46 -3.078 -6.378 8.519 1.00 72.41 C ATOM 680 C ALA A 46 -4.489 -6.417 9.099 1.00 13.22 C ATOM 681 O ALA A 46 -5.331 -5.585 8.766 1.00 65.02 O ATOM 682 CB ALA A 46 -3.091 -6.835 7.069 1.00 51.03 C ATOM 0 H ALA A 46 -2.015 -8.135 8.931 1.00 54.45 H new ATOM 0 HA ALA A 46 -2.725 -5.348 8.561 1.00 72.41 H new ATOM 0 HB1 ALA A 46 -3.781 -6.213 6.498 1.00 51.03 H new ATOM 0 HB2 ALA A 46 -2.089 -6.745 6.650 1.00 51.03 H new ATOM 0 HB3 ALA A 46 -3.413 -7.875 7.018 1.00 51.03 H new ATOM 688 N THR A 47 -4.746 -7.393 9.959 1.00 25.33 N ATOM 689 CA THR A 47 -6.070 -7.557 10.543 1.00 13.35 C ATOM 690 C THR A 47 -6.166 -6.880 11.913 1.00 4.34 C ATOM 691 O THR A 47 -7.078 -6.085 12.159 1.00 64.34 O ATOM 692 CB THR A 47 -6.431 -9.050 10.677 1.00 34.25 C ATOM 693 OG1 THR A 47 -6.235 -9.709 9.419 1.00 64.35 O ATOM 694 CG2 THR A 47 -7.878 -9.231 11.124 1.00 22.12 C ATOM 0 H THR A 47 -4.058 -8.081 10.267 1.00 25.33 H new ATOM 0 HA THR A 47 -6.780 -7.077 9.869 1.00 13.35 H new ATOM 0 HB THR A 47 -5.780 -9.489 11.433 1.00 34.25 H new ATOM 0 HG1 THR A 47 -5.311 -10.030 9.358 1.00 64.35 H new ATOM 0 HG21 THR A 47 -8.102 -10.294 11.209 1.00 22.12 H new ATOM 0 HG22 THR A 47 -8.023 -8.751 12.092 1.00 22.12 H new ATOM 0 HG23 THR A 47 -8.545 -8.777 10.391 1.00 22.12 H new ATOM 702 N MET A 48 -5.221 -7.185 12.797 1.00 65.31 N ATOM 703 CA MET A 48 -5.253 -6.675 14.164 1.00 55.31 C ATOM 704 C MET A 48 -3.840 -6.390 14.661 1.00 12.11 C ATOM 705 O MET A 48 -3.192 -7.261 15.243 1.00 10.20 O ATOM 706 CB MET A 48 -5.921 -7.686 15.107 1.00 15.42 C ATOM 707 CG MET A 48 -7.384 -7.959 14.805 1.00 42.33 C ATOM 708 SD MET A 48 -8.067 -9.262 15.846 1.00 74.40 S ATOM 709 CE MET A 48 -7.037 -10.652 15.373 1.00 30.12 C ATOM 0 H MET A 48 -4.422 -7.784 12.591 1.00 65.31 H new ATOM 0 HA MET A 48 -5.831 -5.751 14.160 1.00 55.31 H new ATOM 0 HB2 MET A 48 -5.372 -8.626 15.059 1.00 15.42 H new ATOM 0 HB3 MET A 48 -5.837 -7.320 16.130 1.00 15.42 H new ATOM 0 HG2 MET A 48 -7.959 -7.044 14.948 1.00 42.33 H new ATOM 0 HG3 MET A 48 -7.490 -8.241 13.757 1.00 42.33 H new ATOM 0 HE1 MET A 48 -7.560 -11.583 15.592 1.00 30.12 H new ATOM 0 HE2 MET A 48 -6.822 -10.599 14.306 1.00 30.12 H new ATOM 0 HE3 MET A 48 -6.103 -10.620 15.934 1.00 30.12 H new ATOM 719 N ARG A 49 -3.361 -5.174 14.429 1.00 64.03 N ATOM 720 CA ARG A 49 -2.013 -4.793 14.834 1.00 31.44 C ATOM 721 C ARG A 49 -1.842 -3.274 14.727 1.00 1.33 C ATOM 722 O ARG A 49 -1.030 -2.787 13.939 1.00 2.32 O ATOM 723 CB ARG A 49 -0.978 -5.522 13.955 1.00 21.03 C ATOM 724 CG ARG A 49 0.382 -5.773 14.613 1.00 11.04 C ATOM 725 CD ARG A 49 1.133 -4.485 14.899 1.00 62.03 C ATOM 726 NE ARG A 49 2.580 -4.663 14.844 1.00 23.50 N ATOM 727 CZ ARG A 49 3.403 -3.807 14.246 1.00 31.53 C ATOM 728 NH1 ARG A 49 2.918 -2.697 13.701 1.00 64.33 N ATOM 729 NH2 ARG A 49 4.705 -4.054 14.201 1.00 12.22 N ATOM 0 H ARG A 49 -3.886 -4.434 13.962 1.00 64.03 H new ATOM 0 HA ARG A 49 -1.853 -5.084 15.872 1.00 31.44 H new ATOM 0 HB2 ARG A 49 -1.397 -6.481 13.649 1.00 21.03 H new ATOM 0 HB3 ARG A 49 -0.822 -4.938 13.048 1.00 21.03 H new ATOM 0 HG2 ARG A 49 0.236 -6.320 15.544 1.00 11.04 H new ATOM 0 HG3 ARG A 49 0.986 -6.406 13.963 1.00 11.04 H new ATOM 0 HD2 ARG A 49 0.835 -3.725 14.176 1.00 62.03 H new ATOM 0 HD3 ARG A 49 0.852 -4.115 15.885 1.00 62.03 H new ATOM 0 HE ARG A 49 2.982 -5.489 15.288 1.00 23.50 H new ATOM 0 HH11 ARG A 49 1.917 -2.504 13.742 1.00 64.33 H new ATOM 0 HH12 ARG A 49 3.546 -2.038 13.241 1.00 64.33 H new ATOM 0 HH21 ARG A 49 5.078 -4.903 14.626 1.00 12.22 H new ATOM 0 HH22 ARG A 49 5.333 -3.395 13.741 1.00 12.22 H new ATOM 743 N ASN A 50 -2.649 -2.540 15.497 1.00 72.25 N ATOM 744 CA ASN A 50 -2.540 -1.076 15.611 1.00 44.41 C ATOM 745 C ASN A 50 -2.831 -0.366 14.283 1.00 34.21 C ATOM 746 O ASN A 50 -3.927 0.156 14.080 1.00 32.33 O ATOM 747 CB ASN A 50 -1.154 -0.680 16.140 1.00 72.30 C ATOM 748 CG ASN A 50 -0.988 0.823 16.309 1.00 11.14 C ATOM 749 OD1 ASN A 50 -0.561 1.522 15.387 1.00 72.31 O ATOM 750 ND2 ASN A 50 -1.312 1.328 17.491 1.00 73.11 N ATOM 0 H ASN A 50 -3.398 -2.940 16.061 1.00 72.25 H new ATOM 0 HA ASN A 50 -3.299 -0.751 16.322 1.00 44.41 H new ATOM 0 HB2 ASN A 50 -0.984 -1.169 17.099 1.00 72.30 H new ATOM 0 HB3 ASN A 50 -0.391 -1.049 15.455 1.00 72.30 H new ATOM 0 HD21 ASN A 50 -1.211 2.328 17.663 1.00 73.11 H new ATOM 0 HD22 ASN A 50 -1.662 0.716 18.228 1.00 73.11 H new ATOM 757 N VAL A 51 -1.850 -0.371 13.383 1.00 74.21 N ATOM 758 CA VAL A 51 -1.967 0.280 12.079 1.00 55.14 C ATOM 759 C VAL A 51 -3.142 -0.299 11.293 1.00 23.23 C ATOM 760 O VAL A 51 -3.758 0.384 10.470 1.00 24.22 O ATOM 761 CB VAL A 51 -0.669 0.111 11.258 1.00 3.23 C ATOM 762 CG1 VAL A 51 -0.731 0.905 9.961 1.00 2.04 C ATOM 763 CG2 VAL A 51 0.540 0.529 12.082 1.00 75.21 C ATOM 0 H VAL A 51 -0.951 -0.827 13.537 1.00 74.21 H new ATOM 0 HA VAL A 51 -2.139 1.342 12.254 1.00 55.14 H new ATOM 0 HB VAL A 51 -0.569 -0.944 11.001 1.00 3.23 H new ATOM 0 HG11 VAL A 51 0.196 0.766 9.405 1.00 2.04 H new ATOM 0 HG12 VAL A 51 -1.570 0.555 9.360 1.00 2.04 H new ATOM 0 HG13 VAL A 51 -0.863 1.963 10.188 1.00 2.04 H new ATOM 0 HG21 VAL A 51 1.446 0.404 11.489 1.00 75.21 H new ATOM 0 HG22 VAL A 51 0.438 1.575 12.373 1.00 75.21 H new ATOM 0 HG23 VAL A 51 0.603 -0.091 12.976 1.00 75.21 H new ATOM 773 N ALA A 52 -3.437 -1.565 11.566 1.00 65.11 N ATOM 774 CA ALA A 52 -4.522 -2.285 10.907 1.00 34.23 C ATOM 775 C ALA A 52 -5.851 -1.536 11.000 1.00 64.40 C ATOM 776 O ALA A 52 -6.692 -1.651 10.112 1.00 72.31 O ATOM 777 CB ALA A 52 -4.660 -3.675 11.506 1.00 33.02 C ATOM 0 H ALA A 52 -2.929 -2.123 12.252 1.00 65.11 H new ATOM 0 HA ALA A 52 -4.269 -2.365 9.850 1.00 34.23 H new ATOM 0 HB1 ALA A 52 -5.472 -4.206 11.009 1.00 33.02 H new ATOM 0 HB2 ALA A 52 -3.729 -4.225 11.368 1.00 33.02 H new ATOM 0 HB3 ALA A 52 -4.879 -3.592 12.571 1.00 33.02 H new ATOM 783 N GLY A 53 -6.032 -0.761 12.064 1.00 42.25 N ATOM 784 CA GLY A 53 -7.257 -0.002 12.223 1.00 23.34 C ATOM 785 C GLY A 53 -7.441 1.029 11.123 1.00 61.11 C ATOM 786 O GLY A 53 -8.533 1.174 10.568 1.00 31.43 O ATOM 0 H GLY A 53 -5.354 -0.645 12.817 1.00 42.25 H new ATOM 0 HA2 GLY A 53 -8.107 -0.684 12.225 1.00 23.34 H new ATOM 0 HA3 GLY A 53 -7.248 0.500 13.191 1.00 23.34 H new ATOM 790 N GLU A 54 -6.359 1.724 10.795 1.00 72.43 N ATOM 791 CA GLU A 54 -6.387 2.766 9.776 1.00 52.35 C ATOM 792 C GLU A 54 -6.688 2.176 8.401 1.00 61.12 C ATOM 793 O GLU A 54 -7.528 2.693 7.658 1.00 11.12 O ATOM 794 CB GLU A 54 -5.046 3.508 9.736 1.00 55.40 C ATOM 795 CG GLU A 54 -4.703 4.245 11.021 1.00 74.11 C ATOM 796 CD GLU A 54 -5.699 5.339 11.354 1.00 40.30 C ATOM 797 OE1 GLU A 54 -5.756 6.343 10.616 1.00 31.13 O ATOM 798 OE2 GLU A 54 -6.428 5.203 12.358 1.00 74.21 O ATOM 0 H GLU A 54 -5.444 1.583 11.224 1.00 72.43 H new ATOM 0 HA GLU A 54 -7.179 3.468 10.035 1.00 52.35 H new ATOM 0 HB2 GLU A 54 -4.254 2.792 9.519 1.00 55.40 H new ATOM 0 HB3 GLU A 54 -5.064 4.223 8.914 1.00 55.40 H new ATOM 0 HG2 GLU A 54 -4.665 3.532 11.844 1.00 74.11 H new ATOM 0 HG3 GLU A 54 -3.708 4.681 10.930 1.00 74.11 H new ATOM 805 N ILE A 55 -6.010 1.085 8.068 1.00 13.42 N ATOM 806 CA ILE A 55 -6.163 0.472 6.761 1.00 55.44 C ATOM 807 C ILE A 55 -7.501 -0.248 6.631 1.00 44.24 C ATOM 808 O ILE A 55 -8.084 -0.289 5.550 1.00 52.20 O ATOM 809 CB ILE A 55 -5.010 -0.502 6.443 1.00 74.03 C ATOM 810 CG1 ILE A 55 -4.854 -1.555 7.544 1.00 54.21 C ATOM 811 CG2 ILE A 55 -3.709 0.269 6.244 1.00 41.21 C ATOM 812 CD1 ILE A 55 -3.777 -2.579 7.256 1.00 44.31 C ATOM 0 H ILE A 55 -5.351 0.610 8.685 1.00 13.42 H new ATOM 0 HA ILE A 55 -6.134 1.284 6.035 1.00 55.44 H new ATOM 0 HB ILE A 55 -5.251 -1.025 5.518 1.00 74.03 H new ATOM 0 HG12 ILE A 55 -4.625 -1.054 8.484 1.00 54.21 H new ATOM 0 HG13 ILE A 55 -5.805 -2.069 7.681 1.00 54.21 H new ATOM 0 HG21 ILE A 55 -2.903 -0.429 6.020 1.00 41.21 H new ATOM 0 HG22 ILE A 55 -3.824 0.968 5.416 1.00 41.21 H new ATOM 0 HG23 ILE A 55 -3.470 0.820 7.154 1.00 41.21 H new ATOM 0 HD11 ILE A 55 -3.724 -3.292 8.079 1.00 44.31 H new ATOM 0 HD12 ILE A 55 -4.015 -3.107 6.333 1.00 44.31 H new ATOM 0 HD13 ILE A 55 -2.816 -2.076 7.149 1.00 44.31 H new ATOM 824 N ALA A 56 -7.992 -0.801 7.736 1.00 2.04 N ATOM 825 CA ALA A 56 -9.308 -1.429 7.751 1.00 5.42 C ATOM 826 C ALA A 56 -10.387 -0.406 7.420 1.00 74.10 C ATOM 827 O ALA A 56 -11.307 -0.682 6.648 1.00 5.45 O ATOM 828 CB ALA A 56 -9.586 -2.072 9.102 1.00 51.52 C ATOM 0 H ALA A 56 -7.500 -0.827 8.629 1.00 2.04 H new ATOM 0 HA ALA A 56 -9.321 -2.211 6.992 1.00 5.42 H new ATOM 0 HB1 ALA A 56 -10.573 -2.534 9.089 1.00 51.52 H new ATOM 0 HB2 ALA A 56 -8.832 -2.833 9.305 1.00 51.52 H new ATOM 0 HB3 ALA A 56 -9.552 -1.311 9.881 1.00 51.52 H new ATOM 834 N ALA A 57 -10.257 0.785 7.996 1.00 45.25 N ATOM 835 CA ALA A 57 -11.192 1.871 7.732 1.00 11.41 C ATOM 836 C ALA A 57 -11.094 2.324 6.279 1.00 22.23 C ATOM 837 O ALA A 57 -12.101 2.645 5.647 1.00 63.34 O ATOM 838 CB ALA A 57 -10.925 3.038 8.668 1.00 41.24 C ATOM 0 H ALA A 57 -9.511 1.022 8.650 1.00 45.25 H new ATOM 0 HA ALA A 57 -12.203 1.504 7.910 1.00 11.41 H new ATOM 0 HB1 ALA A 57 -11.631 3.841 8.459 1.00 41.24 H new ATOM 0 HB2 ALA A 57 -11.044 2.711 9.701 1.00 41.24 H new ATOM 0 HB3 ALA A 57 -9.908 3.400 8.517 1.00 41.24 H new ATOM 844 N ALA A 58 -9.872 2.337 5.754 1.00 45.03 N ATOM 845 CA ALA A 58 -9.636 2.716 4.368 1.00 34.44 C ATOM 846 C ALA A 58 -10.197 1.668 3.412 1.00 32.21 C ATOM 847 O ALA A 58 -10.654 1.993 2.317 1.00 64.21 O ATOM 848 CB ALA A 58 -8.150 2.912 4.122 1.00 54.22 C ATOM 0 H ALA A 58 -9.029 2.088 6.271 1.00 45.03 H new ATOM 0 HA ALA A 58 -10.152 3.658 4.180 1.00 34.44 H new ATOM 0 HB1 ALA A 58 -7.988 3.195 3.082 1.00 54.22 H new ATOM 0 HB2 ALA A 58 -7.774 3.699 4.775 1.00 54.22 H new ATOM 0 HB3 ALA A 58 -7.621 1.983 4.332 1.00 54.22 H new ATOM 854 N LEU A 59 -10.164 0.412 3.838 1.00 71.32 N ATOM 855 CA LEU A 59 -10.691 -0.687 3.039 1.00 34.43 C ATOM 856 C LEU A 59 -12.185 -0.502 2.796 1.00 24.54 C ATOM 857 O LEU A 59 -12.694 -0.822 1.721 1.00 20.14 O ATOM 858 CB LEU A 59 -10.433 -2.022 3.738 1.00 22.24 C ATOM 859 CG LEU A 59 -10.799 -3.267 2.928 1.00 3.21 C ATOM 860 CD1 LEU A 59 -9.980 -3.335 1.649 1.00 1.13 C ATOM 861 CD2 LEU A 59 -10.586 -4.521 3.759 1.00 35.04 C ATOM 0 H LEU A 59 -9.776 0.128 4.737 1.00 71.32 H new ATOM 0 HA LEU A 59 -10.180 -0.690 2.076 1.00 34.43 H new ATOM 0 HB2 LEU A 59 -9.377 -2.077 4.000 1.00 22.24 H new ATOM 0 HB3 LEU A 59 -10.995 -2.039 4.672 1.00 22.24 H new ATOM 0 HG LEU A 59 -11.853 -3.202 2.658 1.00 3.21 H new ATOM 0 HD11 LEU A 59 -10.256 -4.228 1.088 1.00 1.13 H new ATOM 0 HD12 LEU A 59 -10.177 -2.450 1.043 1.00 1.13 H new ATOM 0 HD13 LEU A 59 -8.920 -3.376 1.898 1.00 1.13 H new ATOM 0 HD21 LEU A 59 -10.851 -5.398 3.169 1.00 35.04 H new ATOM 0 HD22 LEU A 59 -9.540 -4.587 4.057 1.00 35.04 H new ATOM 0 HD23 LEU A 59 -11.215 -4.479 4.649 1.00 35.04 H new ATOM 873 N TYR A 60 -12.879 0.033 3.798 1.00 73.44 N ATOM 874 CA TYR A 60 -14.304 0.320 3.671 1.00 10.14 C ATOM 875 C TYR A 60 -14.554 1.313 2.540 1.00 23.14 C ATOM 876 O TYR A 60 -15.536 1.199 1.808 1.00 53.10 O ATOM 877 CB TYR A 60 -14.874 0.882 4.977 1.00 63.42 C ATOM 878 CG TYR A 60 -14.877 -0.100 6.130 1.00 23.25 C ATOM 879 CD1 TYR A 60 -15.461 -1.354 6.000 1.00 32.24 C ATOM 880 CD2 TYR A 60 -14.312 0.237 7.355 1.00 43.00 C ATOM 881 CE1 TYR A 60 -15.480 -2.245 7.055 1.00 62.33 C ATOM 882 CE2 TYR A 60 -14.326 -0.652 8.414 1.00 24.14 C ATOM 883 CZ TYR A 60 -14.910 -1.889 8.259 1.00 71.42 C ATOM 884 OH TYR A 60 -14.930 -2.776 9.313 1.00 4.15 O ATOM 0 H TYR A 60 -12.478 0.276 4.704 1.00 73.44 H new ATOM 0 HA TYR A 60 -14.808 -0.619 3.444 1.00 10.14 H new ATOM 0 HB2 TYR A 60 -14.295 1.760 5.264 1.00 63.42 H new ATOM 0 HB3 TYR A 60 -15.895 1.218 4.799 1.00 63.42 H new ATOM 0 HD1 TYR A 60 -15.908 -1.637 5.058 1.00 32.24 H new ATOM 0 HD2 TYR A 60 -13.855 1.208 7.481 1.00 43.00 H new ATOM 0 HE1 TYR A 60 -15.939 -3.216 6.938 1.00 62.33 H new ATOM 0 HE2 TYR A 60 -13.881 -0.377 9.359 1.00 24.14 H new ATOM 0 HH TYR A 60 -14.486 -2.373 10.088 1.00 4.15 H new ATOM 894 N ALA A 61 -13.647 2.272 2.393 1.00 0.21 N ATOM 895 CA ALA A 61 -13.772 3.288 1.355 1.00 75.05 C ATOM 896 C ALA A 61 -13.613 2.666 -0.028 1.00 61.51 C ATOM 897 O ALA A 61 -14.278 3.070 -0.982 1.00 33.30 O ATOM 898 CB ALA A 61 -12.749 4.394 1.565 1.00 51.42 C ATOM 0 H ALA A 61 -12.818 2.367 2.979 1.00 0.21 H new ATOM 0 HA ALA A 61 -14.769 3.724 1.421 1.00 75.05 H new ATOM 0 HB1 ALA A 61 -12.857 5.143 0.781 1.00 51.42 H new ATOM 0 HB2 ALA A 61 -12.911 4.860 2.537 1.00 51.42 H new ATOM 0 HB3 ALA A 61 -11.745 3.972 1.528 1.00 51.42 H new ATOM 904 N VAL A 62 -12.738 1.672 -0.124 1.00 52.03 N ATOM 905 CA VAL A 62 -12.523 0.957 -1.378 1.00 35.23 C ATOM 906 C VAL A 62 -13.720 0.061 -1.684 1.00 14.43 C ATOM 907 O VAL A 62 -14.122 -0.096 -2.838 1.00 22.40 O ATOM 908 CB VAL A 62 -11.238 0.099 -1.326 1.00 35.14 C ATOM 909 CG1 VAL A 62 -10.974 -0.573 -2.668 1.00 45.54 C ATOM 910 CG2 VAL A 62 -10.047 0.949 -0.914 1.00 13.23 C ATOM 0 H VAL A 62 -12.165 1.342 0.652 1.00 52.03 H new ATOM 0 HA VAL A 62 -12.409 1.700 -2.167 1.00 35.23 H new ATOM 0 HB VAL A 62 -11.384 -0.682 -0.580 1.00 35.14 H new ATOM 0 HG11 VAL A 62 -10.064 -1.170 -2.603 1.00 45.54 H new ATOM 0 HG12 VAL A 62 -11.814 -1.219 -2.923 1.00 45.54 H new ATOM 0 HG13 VAL A 62 -10.854 0.188 -3.439 1.00 45.54 H new ATOM 0 HG21 VAL A 62 -9.151 0.329 -0.883 1.00 13.23 H new ATOM 0 HG22 VAL A 62 -9.907 1.753 -1.636 1.00 13.23 H new ATOM 0 HG23 VAL A 62 -10.228 1.375 0.073 1.00 13.23 H new ATOM 920 N LYS A 63 -14.293 -0.510 -0.632 1.00 52.14 N ATOM 921 CA LYS A 63 -15.479 -1.347 -0.749 1.00 31.04 C ATOM 922 C LYS A 63 -16.651 -0.518 -1.285 1.00 54.41 C ATOM 923 O LYS A 63 -17.505 -1.021 -2.018 1.00 63.53 O ATOM 924 CB LYS A 63 -15.798 -1.961 0.626 1.00 51.22 C ATOM 925 CG LYS A 63 -16.765 -3.141 0.599 1.00 61.01 C ATOM 926 CD LYS A 63 -18.210 -2.693 0.463 1.00 10.03 C ATOM 927 CE LYS A 63 -19.175 -3.867 0.534 1.00 52.10 C ATOM 928 NZ LYS A 63 -18.911 -4.884 -0.520 1.00 54.10 N ATOM 0 H LYS A 63 -13.950 -0.406 0.323 1.00 52.14 H new ATOM 0 HA LYS A 63 -15.301 -2.158 -1.455 1.00 31.04 H new ATOM 0 HB2 LYS A 63 -14.865 -2.286 1.087 1.00 51.22 H new ATOM 0 HB3 LYS A 63 -16.216 -1.184 1.266 1.00 51.22 H new ATOM 0 HG2 LYS A 63 -16.510 -3.799 -0.232 1.00 61.01 H new ATOM 0 HG3 LYS A 63 -16.651 -3.723 1.513 1.00 61.01 H new ATOM 0 HD2 LYS A 63 -18.446 -1.981 1.254 1.00 10.03 H new ATOM 0 HD3 LYS A 63 -18.341 -2.172 -0.485 1.00 10.03 H new ATOM 0 HE2 LYS A 63 -19.100 -4.337 1.515 1.00 52.10 H new ATOM 0 HE3 LYS A 63 -20.197 -3.500 0.433 1.00 52.10 H new ATOM 0 HZ1 LYS A 63 -19.681 -5.583 -0.528 1.00 54.10 H new ATOM 0 HZ2 LYS A 63 -18.857 -4.417 -1.448 1.00 54.10 H new ATOM 0 HZ3 LYS A 63 -18.010 -5.364 -0.322 1.00 54.10 H new ATOM 942 N LYS A 64 -16.677 0.758 -0.923 1.00 3.52 N ATOM 943 CA LYS A 64 -17.681 1.677 -1.442 1.00 41.24 C ATOM 944 C LYS A 64 -17.389 2.016 -2.900 1.00 71.12 C ATOM 945 O LYS A 64 -18.301 2.118 -3.719 1.00 40.43 O ATOM 946 CB LYS A 64 -17.700 2.971 -0.633 1.00 71.13 C ATOM 947 CG LYS A 64 -18.004 2.782 0.841 1.00 34.31 C ATOM 948 CD LYS A 64 -17.904 4.103 1.584 1.00 42.22 C ATOM 949 CE LYS A 64 -18.039 3.923 3.086 1.00 52.41 C ATOM 950 NZ LYS A 64 -17.893 5.216 3.808 1.00 43.23 N ATOM 0 H LYS A 64 -16.015 1.180 -0.272 1.00 3.52 H new ATOM 0 HA LYS A 64 -18.651 1.186 -1.364 1.00 41.24 H new ATOM 0 HB2 LYS A 64 -16.732 3.462 -0.732 1.00 71.13 H new ATOM 0 HB3 LYS A 64 -18.443 3.643 -1.062 1.00 71.13 H new ATOM 0 HG2 LYS A 64 -19.005 2.367 0.961 1.00 34.31 H new ATOM 0 HG3 LYS A 64 -17.307 2.063 1.272 1.00 34.31 H new ATOM 0 HD2 LYS A 64 -16.947 4.573 1.360 1.00 42.22 H new ATOM 0 HD3 LYS A 64 -18.682 4.779 1.229 1.00 42.22 H new ATOM 0 HE2 LYS A 64 -19.011 3.486 3.315 1.00 52.41 H new ATOM 0 HE3 LYS A 64 -17.283 3.221 3.438 1.00 52.41 H new ATOM 0 HZ1 LYS A 64 -17.991 5.055 4.831 1.00 43.23 H new ATOM 0 HZ2 LYS A 64 -16.956 5.621 3.609 1.00 43.23 H new ATOM 0 HZ3 LYS A 64 -18.630 5.877 3.489 1.00 43.23 H new ATOM 964 N ALA A 65 -16.103 2.174 -3.206 1.00 15.35 N ATOM 965 CA ALA A 65 -15.651 2.633 -4.518 1.00 20.23 C ATOM 966 C ALA A 65 -16.141 1.735 -5.651 1.00 65.41 C ATOM 967 O ALA A 65 -16.612 2.228 -6.679 1.00 63.21 O ATOM 968 CB ALA A 65 -14.133 2.726 -4.546 1.00 5.44 C ATOM 0 H ALA A 65 -15.344 1.987 -2.551 1.00 15.35 H new ATOM 0 HA ALA A 65 -16.083 3.621 -4.679 1.00 20.23 H new ATOM 0 HB1 ALA A 65 -13.808 3.069 -5.528 1.00 5.44 H new ATOM 0 HB2 ALA A 65 -13.798 3.432 -3.786 1.00 5.44 H new ATOM 0 HB3 ALA A 65 -13.705 1.744 -4.344 1.00 5.44 H new ATOM 974 N SER A 66 -16.047 0.423 -5.461 1.00 62.10 N ATOM 975 CA SER A 66 -16.445 -0.529 -6.494 1.00 42.32 C ATOM 976 C SER A 66 -17.934 -0.404 -6.817 1.00 51.20 C ATOM 977 O SER A 66 -18.347 -0.547 -7.968 1.00 52.11 O ATOM 978 CB SER A 66 -16.103 -1.956 -6.052 1.00 4.11 C ATOM 979 OG SER A 66 -16.516 -2.193 -4.715 1.00 3.23 O ATOM 0 H SER A 66 -15.699 -0.006 -4.603 1.00 62.10 H new ATOM 0 HA SER A 66 -15.890 -0.300 -7.404 1.00 42.32 H new ATOM 0 HB2 SER A 66 -16.587 -2.671 -6.717 1.00 4.11 H new ATOM 0 HB3 SER A 66 -15.029 -2.118 -6.137 1.00 4.11 H new ATOM 0 HG SER A 66 -16.287 -3.111 -4.460 1.00 3.23 H new ATOM 985 N GLN A 67 -18.733 -0.115 -5.798 1.00 4.34 N ATOM 986 CA GLN A 67 -20.164 0.035 -5.966 1.00 20.34 C ATOM 987 C GLN A 67 -20.508 1.443 -6.450 1.00 73.52 C ATOM 988 O GLN A 67 -21.506 1.650 -7.141 1.00 24.31 O ATOM 989 CB GLN A 67 -20.852 -0.261 -4.640 1.00 42.14 C ATOM 990 CG GLN A 67 -20.602 -1.671 -4.131 1.00 42.11 C ATOM 991 CD GLN A 67 -21.207 -1.911 -2.766 1.00 2.54 C ATOM 992 OE1 GLN A 67 -22.354 -2.339 -2.644 1.00 62.44 O ATOM 993 NE2 GLN A 67 -20.434 -1.641 -1.728 1.00 11.12 N ATOM 0 H GLN A 67 -18.406 0.020 -4.841 1.00 4.34 H new ATOM 0 HA GLN A 67 -20.515 -0.668 -6.721 1.00 20.34 H new ATOM 0 HB2 GLN A 67 -20.507 0.453 -3.893 1.00 42.14 H new ATOM 0 HB3 GLN A 67 -21.925 -0.109 -4.754 1.00 42.14 H new ATOM 0 HG2 GLN A 67 -21.017 -2.388 -4.840 1.00 42.11 H new ATOM 0 HG3 GLN A 67 -19.528 -1.852 -4.086 1.00 42.11 H new ATOM 0 HE21 GLN A 67 -19.489 -1.287 -1.875 1.00 11.12 H new ATOM 0 HE22 GLN A 67 -20.783 -1.786 -0.781 1.00 11.12 H new ATOM 1002 N LEU A 68 -19.666 2.402 -6.092 1.00 32.31 N ATOM 1003 CA LEU A 68 -19.876 3.795 -6.466 1.00 23.14 C ATOM 1004 C LEU A 68 -19.517 4.016 -7.933 1.00 21.51 C ATOM 1005 O LEU A 68 -19.956 4.986 -8.556 1.00 0.34 O ATOM 1006 CB LEU A 68 -19.032 4.706 -5.566 1.00 24.42 C ATOM 1007 CG LEU A 68 -19.236 6.211 -5.767 1.00 2.53 C ATOM 1008 CD1 LEU A 68 -20.659 6.614 -5.408 1.00 33.25 C ATOM 1009 CD2 LEU A 68 -18.230 6.998 -4.936 1.00 24.24 C ATOM 0 H LEU A 68 -18.825 2.240 -5.539 1.00 32.31 H new ATOM 0 HA LEU A 68 -20.929 4.041 -6.333 1.00 23.14 H new ATOM 0 HB2 LEU A 68 -19.252 4.464 -4.526 1.00 24.42 H new ATOM 0 HB3 LEU A 68 -17.980 4.475 -5.731 1.00 24.42 H new ATOM 0 HG LEU A 68 -19.073 6.443 -6.819 1.00 2.53 H new ATOM 0 HD11 LEU A 68 -20.782 7.687 -5.558 1.00 33.25 H new ATOM 0 HD12 LEU A 68 -21.361 6.076 -6.045 1.00 33.25 H new ATOM 0 HD13 LEU A 68 -20.854 6.369 -4.364 1.00 33.25 H new ATOM 0 HD21 LEU A 68 -18.387 8.066 -5.089 1.00 24.24 H new ATOM 0 HD22 LEU A 68 -18.364 6.759 -3.881 1.00 24.24 H new ATOM 0 HD23 LEU A 68 -17.218 6.733 -5.243 1.00 24.24 H new ATOM 1021 N GLY A 69 -18.719 3.109 -8.479 1.00 1.21 N ATOM 1022 CA GLY A 69 -18.319 3.210 -9.867 1.00 10.32 C ATOM 1023 C GLY A 69 -17.092 4.076 -10.035 1.00 12.13 C ATOM 1024 O GLY A 69 -16.961 4.799 -11.024 1.00 62.45 O ATOM 0 H GLY A 69 -18.341 2.302 -7.983 1.00 1.21 H new ATOM 0 HA2 GLY A 69 -18.118 2.214 -10.261 1.00 10.32 H new ATOM 0 HA3 GLY A 69 -19.140 3.624 -10.453 1.00 10.32 H new ATOM 1028 N VAL A 70 -16.203 4.024 -9.055 1.00 61.00 N ATOM 1029 CA VAL A 70 -14.966 4.787 -9.111 1.00 4.42 C ATOM 1030 C VAL A 70 -13.774 3.886 -8.818 1.00 40.43 C ATOM 1031 O VAL A 70 -13.934 2.732 -8.416 1.00 30.43 O ATOM 1032 CB VAL A 70 -14.961 5.979 -8.123 1.00 20.55 C ATOM 1033 CG1 VAL A 70 -16.040 6.990 -8.482 1.00 0.13 C ATOM 1034 CG2 VAL A 70 -15.132 5.501 -6.690 1.00 64.21 C ATOM 0 H VAL A 70 -16.315 3.461 -8.212 1.00 61.00 H new ATOM 0 HA VAL A 70 -14.891 5.190 -10.121 1.00 4.42 H new ATOM 0 HB VAL A 70 -13.992 6.472 -8.203 1.00 20.55 H new ATOM 0 HG11 VAL A 70 -16.014 7.817 -7.772 1.00 0.13 H new ATOM 0 HG12 VAL A 70 -15.862 7.370 -9.488 1.00 0.13 H new ATOM 0 HG13 VAL A 70 -17.017 6.509 -8.443 1.00 0.13 H new ATOM 0 HG21 VAL A 70 -15.125 6.358 -6.017 1.00 64.21 H new ATOM 0 HG22 VAL A 70 -16.080 4.972 -6.594 1.00 64.21 H new ATOM 0 HG23 VAL A 70 -14.314 4.829 -6.430 1.00 64.21 H new ATOM 1044 N LYS A 71 -12.585 4.417 -9.034 1.00 63.41 N ATOM 1045 CA LYS A 71 -11.355 3.689 -8.783 1.00 71.33 C ATOM 1046 C LYS A 71 -10.242 4.676 -8.477 1.00 4.12 C ATOM 1047 O LYS A 71 -10.461 5.887 -8.498 1.00 41.34 O ATOM 1048 CB LYS A 71 -10.965 2.851 -10.004 1.00 10.21 C ATOM 1049 CG LYS A 71 -10.680 3.694 -11.238 1.00 60.14 C ATOM 1050 CD LYS A 71 -10.099 2.869 -12.374 1.00 72.23 C ATOM 1051 CE LYS A 71 -11.084 1.829 -12.883 1.00 14.22 C ATOM 1052 NZ LYS A 71 -10.577 1.145 -14.103 1.00 12.12 N ATOM 0 H LYS A 71 -12.445 5.363 -9.388 1.00 63.41 H new ATOM 0 HA LYS A 71 -11.509 3.022 -7.935 1.00 71.33 H new ATOM 0 HB2 LYS A 71 -10.082 2.258 -9.764 1.00 10.21 H new ATOM 0 HB3 LYS A 71 -11.769 2.149 -10.228 1.00 10.21 H new ATOM 0 HG2 LYS A 71 -11.602 4.170 -11.572 1.00 60.14 H new ATOM 0 HG3 LYS A 71 -9.985 4.492 -10.978 1.00 60.14 H new ATOM 0 HD2 LYS A 71 -9.814 3.529 -13.193 1.00 72.23 H new ATOM 0 HD3 LYS A 71 -9.190 2.372 -12.034 1.00 72.23 H new ATOM 0 HE2 LYS A 71 -11.271 1.091 -12.103 1.00 14.22 H new ATOM 0 HE3 LYS A 71 -12.038 2.308 -13.104 1.00 14.22 H new ATOM 0 HZ1 LYS A 71 -11.274 0.443 -14.422 1.00 12.12 H new ATOM 0 HZ2 LYS A 71 -10.423 1.846 -14.855 1.00 12.12 H new ATOM 0 HZ3 LYS A 71 -9.679 0.667 -13.885 1.00 12.12 H new ATOM 1066 N ILE A 72 -9.056 4.164 -8.208 1.00 32.01 N ATOM 1067 CA ILE A 72 -7.891 5.013 -8.068 1.00 21.11 C ATOM 1068 C ILE A 72 -6.996 4.818 -9.281 1.00 34.11 C ATOM 1069 O ILE A 72 -6.938 3.722 -9.844 1.00 43.21 O ATOM 1070 CB ILE A 72 -7.117 4.731 -6.753 1.00 40.32 C ATOM 1071 CG1 ILE A 72 -6.648 3.272 -6.665 1.00 65.44 C ATOM 1072 CG2 ILE A 72 -7.988 5.071 -5.552 1.00 62.43 C ATOM 1073 CD1 ILE A 72 -5.256 3.034 -7.212 1.00 13.35 C ATOM 0 H ILE A 72 -8.875 3.168 -8.083 1.00 32.01 H new ATOM 0 HA ILE A 72 -8.219 6.051 -8.013 1.00 21.11 H new ATOM 0 HB ILE A 72 -6.229 5.363 -6.752 1.00 40.32 H new ATOM 0 HG12 ILE A 72 -6.676 2.955 -5.622 1.00 65.44 H new ATOM 0 HG13 ILE A 72 -7.352 2.642 -7.208 1.00 65.44 H new ATOM 0 HG21 ILE A 72 -7.436 4.870 -4.634 1.00 62.43 H new ATOM 0 HG22 ILE A 72 -8.261 6.126 -5.588 1.00 62.43 H new ATOM 0 HG23 ILE A 72 -8.891 4.461 -5.573 1.00 62.43 H new ATOM 0 HD11 ILE A 72 -5.001 1.979 -7.112 1.00 13.35 H new ATOM 0 HD12 ILE A 72 -5.225 3.317 -8.264 1.00 13.35 H new ATOM 0 HD13 ILE A 72 -4.538 3.635 -6.654 1.00 13.35 H new ATOM 1085 N ARG A 73 -6.335 5.874 -9.721 1.00 50.44 N ATOM 1086 CA ARG A 73 -5.493 5.778 -10.900 1.00 21.43 C ATOM 1087 C ARG A 73 -4.118 5.257 -10.528 1.00 4.12 C ATOM 1088 O ARG A 73 -3.326 5.943 -9.881 1.00 25.23 O ATOM 1089 CB ARG A 73 -5.408 7.114 -11.628 1.00 51.53 C ATOM 1090 CG ARG A 73 -6.738 7.540 -12.225 1.00 65.12 C ATOM 1091 CD ARG A 73 -6.566 8.668 -13.223 1.00 64.22 C ATOM 1092 NE ARG A 73 -5.750 8.267 -14.365 1.00 2.10 N ATOM 1093 CZ ARG A 73 -5.016 9.113 -15.091 1.00 34.45 C ATOM 1094 NH1 ARG A 73 -5.001 10.411 -14.790 1.00 11.50 N ATOM 1095 NH2 ARG A 73 -4.299 8.658 -16.113 1.00 2.32 N ATOM 0 H ARG A 73 -6.364 6.796 -9.287 1.00 50.44 H new ATOM 0 HA ARG A 73 -5.947 5.066 -11.589 1.00 21.43 H new ATOM 0 HB2 ARG A 73 -5.064 7.880 -10.934 1.00 51.53 H new ATOM 0 HB3 ARG A 73 -4.664 7.045 -12.421 1.00 51.53 H new ATOM 0 HG2 ARG A 73 -7.207 6.687 -12.716 1.00 65.12 H new ATOM 0 HG3 ARG A 73 -7.410 7.858 -11.428 1.00 65.12 H new ATOM 0 HD2 ARG A 73 -7.545 8.994 -13.574 1.00 64.22 H new ATOM 0 HD3 ARG A 73 -6.103 9.522 -12.729 1.00 64.22 H new ATOM 0 HE ARG A 73 -5.740 7.280 -14.624 1.00 2.10 H new ATOM 0 HH11 ARG A 73 -5.551 10.759 -14.004 1.00 11.50 H new ATOM 0 HH12 ARG A 73 -4.440 11.057 -15.345 1.00 11.50 H new ATOM 0 HH21 ARG A 73 -4.310 7.664 -16.341 1.00 2.32 H new ATOM 0 HH22 ARG A 73 -3.737 9.303 -16.669 1.00 2.32 H new ATOM 1109 N ILE A 74 -3.867 4.028 -10.942 1.00 62.52 N ATOM 1110 CA ILE A 74 -2.680 3.292 -10.553 1.00 41.33 C ATOM 1111 C ILE A 74 -1.408 3.872 -11.165 1.00 51.22 C ATOM 1112 O ILE A 74 -1.386 4.293 -12.323 1.00 63.11 O ATOM 1113 CB ILE A 74 -2.813 1.810 -10.958 1.00 3.24 C ATOM 1114 CG1 ILE A 74 -2.973 1.682 -12.478 1.00 61.11 C ATOM 1115 CG2 ILE A 74 -4.000 1.181 -10.240 1.00 63.44 C ATOM 1116 CD1 ILE A 74 -3.031 0.253 -12.975 1.00 13.34 C ATOM 0 H ILE A 74 -4.488 3.509 -11.563 1.00 62.52 H new ATOM 0 HA ILE A 74 -2.597 3.377 -9.470 1.00 41.33 H new ATOM 0 HB ILE A 74 -1.906 1.281 -10.666 1.00 3.24 H new ATOM 0 HG12 ILE A 74 -3.884 2.198 -12.781 1.00 61.11 H new ATOM 0 HG13 ILE A 74 -2.141 2.191 -12.964 1.00 61.11 H new ATOM 0 HG21 ILE A 74 -4.088 0.134 -10.531 1.00 63.44 H new ATOM 0 HG22 ILE A 74 -3.850 1.247 -9.162 1.00 63.44 H new ATOM 0 HG23 ILE A 74 -4.913 1.711 -10.512 1.00 63.44 H new ATOM 0 HD11 ILE A 74 -3.145 0.249 -14.059 1.00 13.34 H new ATOM 0 HD12 ILE A 74 -2.110 -0.264 -12.705 1.00 13.34 H new ATOM 0 HD13 ILE A 74 -3.880 -0.257 -12.519 1.00 13.34 H new ATOM 1643 N ARG A 107 -7.854 -7.056 -7.680 1.00 23.33 N ATOM 1644 CA ARG A 107 -7.343 -6.019 -8.561 1.00 55.25 C ATOM 1645 C ARG A 107 -8.471 -5.441 -9.409 1.00 61.24 C ATOM 1646 O ARG A 107 -9.372 -6.163 -9.843 1.00 2.02 O ATOM 1647 CB ARG A 107 -6.245 -6.600 -9.459 1.00 41.12 C ATOM 1648 CG ARG A 107 -5.713 -5.629 -10.501 1.00 62.31 C ATOM 1649 CD ARG A 107 -4.703 -6.302 -11.414 1.00 4.13 C ATOM 1650 NE ARG A 107 -4.259 -5.419 -12.491 1.00 12.52 N ATOM 1651 CZ ARG A 107 -3.620 -5.840 -13.582 1.00 72.50 C ATOM 1652 NH1 ARG A 107 -3.344 -7.130 -13.738 1.00 52.44 N ATOM 1653 NH2 ARG A 107 -3.266 -4.968 -14.517 1.00 3.34 N ATOM 0 HA ARG A 107 -6.921 -5.215 -7.958 1.00 55.25 H new ATOM 0 HB2 ARG A 107 -5.417 -6.933 -8.833 1.00 41.12 H new ATOM 0 HB3 ARG A 107 -6.635 -7.482 -9.967 1.00 41.12 H new ATOM 0 HG2 ARG A 107 -6.540 -5.239 -11.094 1.00 62.31 H new ATOM 0 HG3 ARG A 107 -5.248 -4.778 -10.004 1.00 62.31 H new ATOM 0 HD2 ARG A 107 -3.841 -6.619 -10.828 1.00 4.13 H new ATOM 0 HD3 ARG A 107 -5.146 -7.201 -11.843 1.00 4.13 H new ATOM 0 HE ARG A 107 -4.450 -4.421 -12.402 1.00 12.52 H new ATOM 0 HH11 ARG A 107 -3.621 -7.801 -13.022 1.00 52.44 H new ATOM 0 HH12 ARG A 107 -2.855 -7.449 -14.574 1.00 52.44 H new ATOM 0 HH21 ARG A 107 -3.483 -3.978 -14.400 1.00 3.34 H new ATOM 0 HH22 ARG A 107 -2.777 -5.287 -15.353 1.00 3.34 H new ATOM 1667 N GLY A 108 -8.417 -4.139 -9.639 1.00 21.41 N ATOM 1668 CA GLY A 108 -9.425 -3.486 -10.445 1.00 0.01 C ATOM 1669 C GLY A 108 -9.661 -2.068 -9.989 1.00 20.45 C ATOM 1670 O GLY A 108 -9.353 -1.116 -10.705 1.00 11.34 O ATOM 0 H GLY A 108 -7.690 -3.521 -9.280 1.00 21.41 H new ATOM 0 HA2 GLY A 108 -9.114 -3.487 -11.490 1.00 0.01 H new ATOM 0 HA3 GLY A 108 -10.358 -4.048 -10.389 1.00 0.01 H new ATOM 1674 N ILE A 109 -10.188 -1.929 -8.785 1.00 60.33 N ATOM 1675 CA ILE A 109 -10.403 -0.620 -8.192 1.00 72.12 C ATOM 1676 C ILE A 109 -9.091 -0.104 -7.614 1.00 11.42 C ATOM 1677 O ILE A 109 -8.797 1.092 -7.661 1.00 63.34 O ATOM 1678 CB ILE A 109 -11.484 -0.655 -7.079 1.00 21.35 C ATOM 1679 CG1 ILE A 109 -12.842 -1.100 -7.637 1.00 34.54 C ATOM 1680 CG2 ILE A 109 -11.622 0.706 -6.412 1.00 61.31 C ATOM 1681 CD1 ILE A 109 -12.963 -2.592 -7.881 1.00 23.11 C ATOM 0 H ILE A 109 -10.476 -2.710 -8.196 1.00 60.33 H new ATOM 0 HA ILE A 109 -10.759 0.047 -8.977 1.00 72.12 H new ATOM 0 HB ILE A 109 -11.160 -1.382 -6.334 1.00 21.35 H new ATOM 0 HG12 ILE A 109 -13.624 -0.794 -6.942 1.00 34.54 H new ATOM 0 HG13 ILE A 109 -13.025 -0.575 -8.575 1.00 34.54 H new ATOM 0 HG21 ILE A 109 -12.386 0.655 -5.636 1.00 61.31 H new ATOM 0 HG22 ILE A 109 -10.669 0.991 -5.966 1.00 61.31 H new ATOM 0 HG23 ILE A 109 -11.910 1.448 -7.156 1.00 61.31 H new ATOM 0 HD11 ILE A 109 -13.954 -2.817 -8.275 1.00 23.11 H new ATOM 0 HD12 ILE A 109 -12.207 -2.906 -8.601 1.00 23.11 H new ATOM 0 HD13 ILE A 109 -12.815 -3.127 -6.943 1.00 23.11 H new ATOM 1693 N TYR A 110 -8.294 -1.031 -7.095 1.00 70.24 N ATOM 1694 CA TYR A 110 -7.012 -0.700 -6.499 1.00 32.14 C ATOM 1695 C TYR A 110 -5.967 -1.729 -6.932 1.00 64.03 C ATOM 1696 O TYR A 110 -6.281 -2.908 -7.089 1.00 53.11 O ATOM 1697 CB TYR A 110 -7.156 -0.691 -4.969 1.00 14.13 C ATOM 1698 CG TYR A 110 -5.978 -0.109 -4.211 1.00 14.44 C ATOM 1699 CD1 TYR A 110 -4.883 -0.893 -3.860 1.00 51.12 C ATOM 1700 CD2 TYR A 110 -5.973 1.225 -3.829 1.00 62.44 C ATOM 1701 CE1 TYR A 110 -3.818 -0.360 -3.155 1.00 31.22 C ATOM 1702 CE2 TYR A 110 -4.916 1.766 -3.123 1.00 62.14 C ATOM 1703 CZ TYR A 110 -3.840 0.972 -2.788 1.00 64.03 C ATOM 1704 OH TYR A 110 -2.790 1.514 -2.078 1.00 52.23 O ATOM 0 H TYR A 110 -8.519 -2.026 -7.077 1.00 70.24 H new ATOM 0 HA TYR A 110 -6.689 0.286 -6.832 1.00 32.14 H new ATOM 0 HB2 TYR A 110 -8.050 -0.125 -4.708 1.00 14.13 H new ATOM 0 HB3 TYR A 110 -7.316 -1.714 -4.629 1.00 14.13 H new ATOM 0 HD1 TYR A 110 -4.864 -1.935 -4.143 1.00 51.12 H new ATOM 0 HD2 TYR A 110 -6.812 1.853 -4.089 1.00 62.44 H new ATOM 0 HE1 TYR A 110 -2.975 -0.982 -2.893 1.00 31.22 H new ATOM 0 HE2 TYR A 110 -4.933 2.807 -2.835 1.00 62.14 H new ATOM 0 HH TYR A 110 -2.013 1.612 -2.667 1.00 52.23 H new ATOM 1714 N SER A 111 -4.738 -1.271 -7.133 1.00 44.41 N ATOM 1715 CA SER A 111 -3.612 -2.151 -7.423 1.00 15.10 C ATOM 1716 C SER A 111 -2.330 -1.332 -7.448 1.00 65.24 C ATOM 1717 O SER A 111 -2.307 -0.225 -7.986 1.00 63.32 O ATOM 1718 CB SER A 111 -3.800 -2.878 -8.763 1.00 42.22 C ATOM 1719 OG SER A 111 -3.886 -1.967 -9.848 1.00 14.33 O ATOM 0 H SER A 111 -4.493 -0.281 -7.100 1.00 44.41 H new ATOM 0 HA SER A 111 -3.553 -2.908 -6.641 1.00 15.10 H new ATOM 0 HB2 SER A 111 -2.966 -3.561 -8.927 1.00 42.22 H new ATOM 0 HB3 SER A 111 -4.705 -3.484 -8.724 1.00 42.22 H new ATOM 0 HG SER A 111 -4.003 -2.464 -10.684 1.00 14.33 H new ATOM 1725 N PHE A 112 -1.268 -1.853 -6.862 1.00 61.33 N ATOM 1726 CA PHE A 112 -0.014 -1.129 -6.831 1.00 73.14 C ATOM 1727 C PHE A 112 1.166 -2.022 -7.154 1.00 75.04 C ATOM 1728 O PHE A 112 1.030 -3.237 -7.291 1.00 63.11 O ATOM 1729 CB PHE A 112 0.187 -0.417 -5.496 1.00 52.15 C ATOM 1730 CG PHE A 112 -0.199 1.029 -5.564 1.00 72.44 C ATOM 1731 CD1 PHE A 112 -1.494 1.432 -5.293 1.00 73.33 C ATOM 1732 CD2 PHE A 112 0.736 1.986 -5.922 1.00 14.21 C ATOM 1733 CE1 PHE A 112 -1.849 2.762 -5.372 1.00 35.44 C ATOM 1734 CE2 PHE A 112 0.387 3.318 -6.000 1.00 44.21 C ATOM 1735 CZ PHE A 112 -0.908 3.706 -5.727 1.00 24.14 C ATOM 0 H PHE A 112 -1.249 -2.765 -6.406 1.00 61.33 H new ATOM 0 HA PHE A 112 -0.069 -0.370 -7.611 1.00 73.14 H new ATOM 0 HB2 PHE A 112 -0.406 -0.914 -4.728 1.00 52.15 H new ATOM 0 HB3 PHE A 112 1.232 -0.499 -5.196 1.00 52.15 H new ATOM 0 HD1 PHE A 112 -2.235 0.697 -5.016 1.00 73.33 H new ATOM 0 HD2 PHE A 112 1.750 1.686 -6.143 1.00 14.21 H new ATOM 0 HE1 PHE A 112 -2.863 3.064 -5.156 1.00 35.44 H new ATOM 0 HE2 PHE A 112 1.126 4.056 -6.274 1.00 44.21 H new ATOM 0 HZ PHE A 112 -1.185 4.748 -5.791 1.00 24.14 H new ATOM 1745 N GLU A 113 2.314 -1.390 -7.294 1.00 52.21 N ATOM 1746 CA GLU A 113 3.508 -2.043 -7.782 1.00 4.34 C ATOM 1747 C GLU A 113 4.714 -1.408 -7.112 1.00 4.15 C ATOM 1748 O GLU A 113 4.637 -0.260 -6.678 1.00 1.22 O ATOM 1749 CB GLU A 113 3.570 -1.864 -9.293 1.00 15.14 C ATOM 1750 CG GLU A 113 4.353 -2.922 -10.048 1.00 30.23 C ATOM 1751 CD GLU A 113 4.047 -2.872 -11.532 1.00 64.35 C ATOM 1752 OE1 GLU A 113 3.020 -3.455 -11.952 1.00 53.11 O ATOM 1753 OE2 GLU A 113 4.802 -2.228 -12.281 1.00 72.41 O ATOM 0 H GLU A 113 2.444 -0.403 -7.071 1.00 52.21 H new ATOM 0 HA GLU A 113 3.498 -3.108 -7.552 1.00 4.34 H new ATOM 0 HB2 GLU A 113 2.551 -1.846 -9.681 1.00 15.14 H new ATOM 0 HB3 GLU A 113 4.010 -0.890 -9.508 1.00 15.14 H new ATOM 0 HG2 GLU A 113 5.421 -2.772 -9.888 1.00 30.23 H new ATOM 0 HG3 GLU A 113 4.108 -3.909 -9.656 1.00 30.23 H new ATOM 1760 N LYS A 114 5.806 -2.151 -7.004 1.00 2.31 N ATOM 1761 CA LYS A 114 7.013 -1.645 -6.374 1.00 65.34 C ATOM 1762 C LYS A 114 7.673 -0.589 -7.257 1.00 14.31 C ATOM 1763 O LYS A 114 8.461 -0.908 -8.150 1.00 35.11 O ATOM 1764 CB LYS A 114 7.968 -2.804 -6.094 1.00 44.41 C ATOM 1765 CG LYS A 114 7.327 -3.913 -5.274 1.00 42.25 C ATOM 1766 CD LYS A 114 8.284 -5.067 -5.023 1.00 74.31 C ATOM 1767 CE LYS A 114 9.400 -4.688 -4.059 1.00 63.31 C ATOM 1768 NZ LYS A 114 10.255 -5.858 -3.734 1.00 20.02 N ATOM 0 H LYS A 114 5.879 -3.109 -7.346 1.00 2.31 H new ATOM 0 HA LYS A 114 6.754 -1.171 -5.427 1.00 65.34 H new ATOM 0 HB2 LYS A 114 8.320 -3.215 -7.040 1.00 44.41 H new ATOM 0 HB3 LYS A 114 8.843 -2.427 -5.565 1.00 44.41 H new ATOM 0 HG2 LYS A 114 6.990 -3.509 -4.320 1.00 42.25 H new ATOM 0 HG3 LYS A 114 6.443 -4.283 -5.794 1.00 42.25 H new ATOM 0 HD2 LYS A 114 7.730 -5.915 -4.620 1.00 74.31 H new ATOM 0 HD3 LYS A 114 8.718 -5.390 -5.969 1.00 74.31 H new ATOM 0 HE2 LYS A 114 10.011 -3.900 -4.499 1.00 63.31 H new ATOM 0 HE3 LYS A 114 8.970 -4.284 -3.143 1.00 63.31 H new ATOM 0 HZ1 LYS A 114 11.006 -5.567 -3.075 1.00 20.02 H new ATOM 0 HZ2 LYS A 114 9.675 -6.600 -3.292 1.00 20.02 H new ATOM 0 HZ3 LYS A 114 10.684 -6.228 -4.606 1.00 20.02 H new ATOM 1782 N VAL A 115 7.318 0.665 -7.015 1.00 32.03 N ATOM 1783 CA VAL A 115 7.800 1.775 -7.822 1.00 72.41 C ATOM 1784 C VAL A 115 9.138 2.284 -7.298 1.00 4.14 C ATOM 1785 O VAL A 115 9.319 2.456 -6.093 1.00 41.41 O ATOM 1786 CB VAL A 115 6.784 2.940 -7.842 1.00 33.41 C ATOM 1787 CG1 VAL A 115 7.269 4.072 -8.737 1.00 52.01 C ATOM 1788 CG2 VAL A 115 5.419 2.449 -8.297 1.00 1.10 C ATOM 0 H VAL A 115 6.692 0.940 -6.258 1.00 32.03 H new ATOM 0 HA VAL A 115 7.927 1.403 -8.839 1.00 72.41 H new ATOM 0 HB VAL A 115 6.693 3.327 -6.827 1.00 33.41 H new ATOM 0 HG11 VAL A 115 6.536 4.879 -8.733 1.00 52.01 H new ATOM 0 HG12 VAL A 115 8.223 4.447 -8.365 1.00 52.01 H new ATOM 0 HG13 VAL A 115 7.396 3.702 -9.754 1.00 52.01 H new ATOM 0 HG21 VAL A 115 4.717 3.282 -8.305 1.00 1.10 H new ATOM 0 HG22 VAL A 115 5.498 2.032 -9.301 1.00 1.10 H new ATOM 0 HG23 VAL A 115 5.062 1.680 -7.612 1.00 1.10 H new ATOM 1798 N LYS A 116 10.071 2.508 -8.214 1.00 52.34 N ATOM 1799 CA LYS A 116 11.381 3.037 -7.864 1.00 3.12 C ATOM 1800 C LYS A 116 11.385 4.563 -7.940 1.00 62.45 C ATOM 1801 O LYS A 116 10.437 5.178 -8.435 1.00 13.00 O ATOM 1802 CB LYS A 116 12.458 2.437 -8.769 1.00 3.35 C ATOM 1803 CG LYS A 116 12.160 2.573 -10.253 1.00 70.14 C ATOM 1804 CD LYS A 116 13.152 1.786 -11.094 1.00 2.14 C ATOM 1805 CE LYS A 116 13.074 0.296 -10.800 1.00 44.21 C ATOM 1806 NZ LYS A 116 14.051 -0.482 -11.605 1.00 30.31 N ATOM 0 H LYS A 116 9.943 2.330 -9.210 1.00 52.34 H new ATOM 0 HA LYS A 116 11.606 2.754 -6.836 1.00 3.12 H new ATOM 0 HB2 LYS A 116 13.411 2.921 -8.554 1.00 3.35 H new ATOM 0 HB3 LYS A 116 12.575 1.381 -8.527 1.00 3.35 H new ATOM 0 HG2 LYS A 116 11.149 2.220 -10.456 1.00 70.14 H new ATOM 0 HG3 LYS A 116 12.194 3.625 -10.537 1.00 70.14 H new ATOM 0 HD2 LYS A 116 12.953 1.960 -12.151 1.00 2.14 H new ATOM 0 HD3 LYS A 116 14.162 2.144 -10.897 1.00 2.14 H new ATOM 0 HE2 LYS A 116 13.260 0.125 -9.740 1.00 44.21 H new ATOM 0 HE3 LYS A 116 12.066 -0.062 -11.008 1.00 44.21 H new ATOM 0 HZ1 LYS A 116 13.965 -1.492 -11.374 1.00 30.31 H new ATOM 0 HZ2 LYS A 116 13.858 -0.340 -12.617 1.00 30.31 H new ATOM 0 HZ3 LYS A 116 15.015 -0.159 -11.388 1.00 30.31 H new ATOM 1820 N ALA A 117 12.464 5.168 -7.474 1.00 71.15 N ATOM 1821 CA ALA A 117 12.492 6.608 -7.262 1.00 42.41 C ATOM 1822 C ALA A 117 12.919 7.377 -8.508 1.00 11.44 C ATOM 1823 O ALA A 117 14.108 7.532 -8.779 1.00 24.31 O ATOM 1824 CB ALA A 117 13.403 6.949 -6.092 1.00 11.53 C ATOM 0 H ALA A 117 13.331 4.687 -7.235 1.00 71.15 H new ATOM 0 HA ALA A 117 11.472 6.917 -7.032 1.00 42.41 H new ATOM 0 HB1 ALA A 117 13.416 8.029 -5.943 1.00 11.53 H new ATOM 0 HB2 ALA A 117 13.033 6.463 -5.189 1.00 11.53 H new ATOM 0 HB3 ALA A 117 14.414 6.600 -6.304 1.00 11.53 H new ATOM 1830 N HIS A 118 11.937 7.825 -9.281 1.00 74.42 N ATOM 1831 CA HIS A 118 12.193 8.762 -10.375 1.00 0.41 C ATOM 1832 C HIS A 118 11.210 9.929 -10.298 1.00 4.13 C ATOM 1833 O HIS A 118 11.225 10.828 -11.136 1.00 22.23 O ATOM 1834 CB HIS A 118 12.106 8.071 -11.750 1.00 61.53 C ATOM 1835 CG HIS A 118 10.734 7.596 -12.146 1.00 25.22 C ATOM 1836 ND1 HIS A 118 10.381 6.266 -12.186 1.00 51.44 N ATOM 1837 CD2 HIS A 118 9.634 8.282 -12.539 1.00 62.25 C ATOM 1838 CE1 HIS A 118 9.127 6.154 -12.582 1.00 73.10 C ATOM 1839 NE2 HIS A 118 8.651 7.365 -12.800 1.00 35.11 N ATOM 0 H HIS A 118 10.959 7.558 -9.174 1.00 74.42 H new ATOM 0 HA HIS A 118 13.210 9.140 -10.266 1.00 0.41 H new ATOM 0 HB2 HIS A 118 12.466 8.765 -12.510 1.00 61.53 H new ATOM 0 HB3 HIS A 118 12.783 7.217 -11.752 1.00 61.53 H new ATOM 0 HD2 HIS A 118 9.548 9.355 -12.630 1.00 62.25 H new ATOM 0 HE1 HIS A 118 8.583 5.229 -12.706 1.00 73.10 H new ATOM 0 HE2 HIS A 118 7.705 7.583 -13.112 1.00 35.11 H new ATOM 1848 N SER A 119 10.345 9.885 -9.295 1.00 23.12 N ATOM 1849 CA SER A 119 9.326 10.909 -9.105 1.00 32.20 C ATOM 1850 C SER A 119 9.000 11.034 -7.616 1.00 61.32 C ATOM 1851 O SER A 119 7.855 11.263 -7.233 1.00 4.31 O ATOM 1852 CB SER A 119 8.070 10.556 -9.910 1.00 41.15 C ATOM 1853 OG SER A 119 7.174 11.654 -9.981 1.00 44.10 O ATOM 0 H SER A 119 10.329 9.144 -8.594 1.00 23.12 H new ATOM 0 HA SER A 119 9.701 11.868 -9.463 1.00 32.20 H new ATOM 0 HB2 SER A 119 8.355 10.252 -10.917 1.00 41.15 H new ATOM 0 HB3 SER A 119 7.569 9.705 -9.450 1.00 41.15 H new ATOM 0 HG SER A 119 6.986 11.982 -9.077 1.00 44.10 H new ATOM 1859 N GLY A 120 10.023 10.877 -6.786 1.00 11.01 N ATOM 1860 CA GLY A 120 9.831 10.889 -5.349 1.00 31.15 C ATOM 1861 C GLY A 120 9.354 12.230 -4.829 1.00 42.44 C ATOM 1862 O GLY A 120 10.149 13.150 -4.634 1.00 73.23 O ATOM 0 H GLY A 120 10.989 10.741 -7.085 1.00 11.01 H new ATOM 0 HA2 GLY A 120 9.106 10.121 -5.078 1.00 31.15 H new ATOM 0 HA3 GLY A 120 10.770 10.628 -4.860 1.00 31.15 H new ATOM 1866 N ASN A 121 8.049 12.350 -4.631 1.00 61.10 N ATOM 1867 CA ASN A 121 7.468 13.553 -4.048 1.00 15.32 C ATOM 1868 C ASN A 121 7.607 13.511 -2.535 1.00 0.24 C ATOM 1869 O ASN A 121 7.751 12.435 -1.948 1.00 43.30 O ATOM 1870 CB ASN A 121 5.994 13.706 -4.448 1.00 34.23 C ATOM 1871 CG ASN A 121 5.824 13.942 -5.936 1.00 45.32 C ATOM 1872 OD1 ASN A 121 6.702 14.505 -6.592 1.00 64.33 O ATOM 1873 ND2 ASN A 121 4.693 13.524 -6.481 1.00 54.43 N ATOM 0 H ASN A 121 7.370 11.627 -4.866 1.00 61.10 H new ATOM 0 HA ASN A 121 8.008 14.418 -4.433 1.00 15.32 H new ATOM 0 HB2 ASN A 121 5.446 12.809 -4.160 1.00 34.23 H new ATOM 0 HB3 ASN A 121 5.555 14.538 -3.898 1.00 34.23 H new ATOM 0 HD21 ASN A 121 4.525 13.664 -7.477 1.00 54.43 H new ATOM 0 HD22 ASN A 121 3.990 13.062 -5.905 1.00 54.43 H new ATOM 1880 N GLU A 122 7.545 14.676 -1.904 1.00 61.14 N ATOM 1881 CA GLU A 122 7.809 14.788 -0.474 1.00 62.53 C ATOM 1882 C GLU A 122 6.683 14.182 0.356 1.00 21.10 C ATOM 1883 O GLU A 122 6.853 13.920 1.544 1.00 54.53 O ATOM 1884 CB GLU A 122 8.037 16.249 -0.091 1.00 71.34 C ATOM 1885 CG GLU A 122 9.196 16.879 -0.844 1.00 25.14 C ATOM 1886 CD GLU A 122 9.494 18.296 -0.405 1.00 53.44 C ATOM 1887 OE1 GLU A 122 8.683 19.200 -0.699 1.00 74.31 O ATOM 1888 OE2 GLU A 122 10.549 18.515 0.227 1.00 50.54 O ATOM 0 H GLU A 122 7.314 15.559 -2.360 1.00 61.14 H new ATOM 0 HA GLU A 122 8.714 14.221 -0.256 1.00 62.53 H new ATOM 0 HB2 GLU A 122 7.129 16.818 -0.289 1.00 71.34 H new ATOM 0 HB3 GLU A 122 8.227 16.314 0.980 1.00 71.34 H new ATOM 0 HG2 GLU A 122 10.087 16.267 -0.703 1.00 25.14 H new ATOM 0 HG3 GLU A 122 8.972 16.876 -1.911 1.00 25.14 H new ATOM 1895 N PHE A 123 5.537 13.949 -0.272 1.00 71.53 N ATOM 1896 CA PHE A 123 4.441 13.255 0.393 1.00 75.53 C ATOM 1897 C PHE A 123 4.807 11.792 0.607 1.00 61.12 C ATOM 1898 O PHE A 123 4.452 11.186 1.616 1.00 50.20 O ATOM 1899 CB PHE A 123 3.149 13.365 -0.422 1.00 73.04 C ATOM 1900 CG PHE A 123 2.671 14.780 -0.600 1.00 55.45 C ATOM 1901 CD1 PHE A 123 2.281 15.535 0.497 1.00 22.33 C ATOM 1902 CD2 PHE A 123 2.610 15.355 -1.859 1.00 73.25 C ATOM 1903 CE1 PHE A 123 1.841 16.836 0.338 1.00 21.40 C ATOM 1904 CE2 PHE A 123 2.170 16.656 -2.022 1.00 25.54 C ATOM 1905 CZ PHE A 123 1.787 17.397 -0.922 1.00 30.30 C ATOM 0 H PHE A 123 5.343 14.228 -1.234 1.00 71.53 H new ATOM 0 HA PHE A 123 4.271 13.726 1.361 1.00 75.53 H new ATOM 0 HB2 PHE A 123 3.308 12.918 -1.403 1.00 73.04 H new ATOM 0 HB3 PHE A 123 2.368 12.785 0.070 1.00 73.04 H new ATOM 0 HD1 PHE A 123 2.322 15.102 1.485 1.00 22.33 H new ATOM 0 HD2 PHE A 123 2.910 14.781 -2.723 1.00 73.25 H new ATOM 0 HE1 PHE A 123 1.540 17.413 1.200 1.00 21.40 H new ATOM 0 HE2 PHE A 123 2.126 17.092 -3.009 1.00 25.54 H new ATOM 0 HZ PHE A 123 1.446 18.414 -1.047 1.00 30.30 H new ATOM 1915 N ASN A 124 5.545 11.238 -0.348 1.00 61.20 N ATOM 1916 CA ASN A 124 6.025 9.864 -0.253 1.00 41.11 C ATOM 1917 C ASN A 124 7.214 9.801 0.694 1.00 63.11 C ATOM 1918 O ASN A 124 7.464 8.786 1.333 1.00 52.21 O ATOM 1919 CB ASN A 124 6.419 9.335 -1.636 1.00 52.10 C ATOM 1920 CG ASN A 124 6.738 7.850 -1.620 1.00 42.10 C ATOM 1921 OD1 ASN A 124 5.848 7.019 -1.771 1.00 43.10 O ATOM 1922 ND2 ASN A 124 8.006 7.503 -1.449 1.00 61.10 N ATOM 0 H ASN A 124 5.825 11.722 -1.201 1.00 61.20 H new ATOM 0 HA ASN A 124 5.223 9.237 0.137 1.00 41.11 H new ATOM 0 HB2 ASN A 124 5.606 9.521 -2.338 1.00 52.10 H new ATOM 0 HB3 ASN A 124 7.287 9.886 -1.999 1.00 52.10 H new ATOM 0 HD21 ASN A 124 8.268 6.517 -1.440 1.00 61.10 H new ATOM 0 HD22 ASN A 124 8.719 8.222 -1.326 1.00 61.10 H new ATOM 1929 N ASP A 125 7.936 10.912 0.780 1.00 32.43 N ATOM 1930 CA ASP A 125 9.112 11.023 1.643 1.00 54.34 C ATOM 1931 C ASP A 125 8.768 10.694 3.097 1.00 42.42 C ATOM 1932 O ASP A 125 9.592 10.156 3.832 1.00 23.42 O ATOM 1933 CB ASP A 125 9.699 12.436 1.536 1.00 31.33 C ATOM 1934 CG ASP A 125 10.940 12.636 2.384 1.00 73.20 C ATOM 1935 OD1 ASP A 125 12.001 12.085 2.033 1.00 25.22 O ATOM 1936 OD2 ASP A 125 10.869 13.377 3.388 1.00 71.21 O ATOM 0 H ASP A 125 7.726 11.761 0.256 1.00 32.43 H new ATOM 0 HA ASP A 125 9.855 10.298 1.309 1.00 54.34 H new ATOM 0 HB2 ASP A 125 9.942 12.643 0.494 1.00 31.33 H new ATOM 0 HB3 ASP A 125 8.942 13.160 1.836 1.00 31.33 H new ATOM 1941 N TYR A 126 7.536 10.986 3.501 1.00 2.43 N ATOM 1942 CA TYR A 126 7.102 10.727 4.870 1.00 3.44 C ATOM 1943 C TYR A 126 6.949 9.234 5.154 1.00 21.41 C ATOM 1944 O TYR A 126 7.372 8.758 6.208 1.00 23.02 O ATOM 1945 CB TYR A 126 5.809 11.480 5.180 1.00 52.42 C ATOM 1946 CG TYR A 126 6.063 12.895 5.643 1.00 41.33 C ATOM 1947 CD1 TYR A 126 6.360 13.907 4.737 1.00 62.32 C ATOM 1948 CD2 TYR A 126 6.033 13.213 6.995 1.00 60.44 C ATOM 1949 CE1 TYR A 126 6.616 15.196 5.166 1.00 23.23 C ATOM 1950 CE2 TYR A 126 6.291 14.497 7.432 1.00 53.10 C ATOM 1951 CZ TYR A 126 6.581 15.484 6.516 1.00 22.22 C ATOM 1952 OH TYR A 126 6.848 16.763 6.949 1.00 11.10 O ATOM 0 H TYR A 126 6.822 11.401 2.902 1.00 2.43 H new ATOM 0 HA TYR A 126 7.884 11.097 5.532 1.00 3.44 H new ATOM 0 HB2 TYR A 126 5.181 11.499 4.289 1.00 52.42 H new ATOM 0 HB3 TYR A 126 5.255 10.943 5.950 1.00 52.42 H new ATOM 0 HD1 TYR A 126 6.391 13.682 3.681 1.00 62.32 H new ATOM 0 HD2 TYR A 126 5.804 12.443 7.717 1.00 60.44 H new ATOM 0 HE1 TYR A 126 6.842 15.972 4.450 1.00 23.23 H new ATOM 0 HE2 TYR A 126 6.266 14.726 8.487 1.00 53.10 H new ATOM 0 HH TYR A 126 6.781 16.798 7.926 1.00 11.10 H new ATOM 1962 N VAL A 127 6.354 8.489 4.229 1.00 13.53 N ATOM 1963 CA VAL A 127 6.244 7.044 4.404 1.00 51.10 C ATOM 1964 C VAL A 127 7.597 6.388 4.160 1.00 63.13 C ATOM 1965 O VAL A 127 7.913 5.354 4.746 1.00 4.23 O ATOM 1966 CB VAL A 127 5.163 6.405 3.499 1.00 54.53 C ATOM 1967 CG1 VAL A 127 3.784 6.908 3.891 1.00 5.52 C ATOM 1968 CG2 VAL A 127 5.432 6.677 2.028 1.00 54.23 C ATOM 0 H VAL A 127 5.948 8.851 3.367 1.00 13.53 H new ATOM 0 HA VAL A 127 5.929 6.870 5.433 1.00 51.10 H new ATOM 0 HB VAL A 127 5.201 5.326 3.645 1.00 54.53 H new ATOM 0 HG11 VAL A 127 3.033 6.451 3.247 1.00 5.52 H new ATOM 0 HG12 VAL A 127 3.582 6.643 4.929 1.00 5.52 H new ATOM 0 HG13 VAL A 127 3.747 7.992 3.779 1.00 5.52 H new ATOM 0 HG21 VAL A 127 4.653 6.213 1.424 1.00 54.23 H new ATOM 0 HG22 VAL A 127 5.436 7.753 1.852 1.00 54.23 H new ATOM 0 HG23 VAL A 127 6.401 6.261 1.752 1.00 54.23 H new ATOM 1978 N ASP A 128 8.400 7.023 3.314 1.00 12.31 N ATOM 1979 CA ASP A 128 9.775 6.601 3.085 1.00 53.51 C ATOM 1980 C ASP A 128 10.569 6.673 4.385 1.00 15.22 C ATOM 1981 O ASP A 128 11.260 5.724 4.757 1.00 43.14 O ATOM 1982 CB ASP A 128 10.416 7.493 2.016 1.00 22.41 C ATOM 1983 CG ASP A 128 11.899 7.242 1.834 1.00 63.25 C ATOM 1984 OD1 ASP A 128 12.270 6.386 1.005 1.00 62.23 O ATOM 1985 OD2 ASP A 128 12.712 7.923 2.497 1.00 54.33 O ATOM 0 H ASP A 128 8.118 7.839 2.771 1.00 12.31 H new ATOM 0 HA ASP A 128 9.781 5.569 2.734 1.00 53.51 H new ATOM 0 HB2 ASP A 128 9.908 7.331 1.065 1.00 22.41 H new ATOM 0 HB3 ASP A 128 10.262 8.538 2.285 1.00 22.41 H new ATOM 1990 N MET A 129 10.442 7.798 5.082 1.00 13.24 N ATOM 1991 CA MET A 129 11.102 7.980 6.369 1.00 22.22 C ATOM 1992 C MET A 129 10.614 6.960 7.384 1.00 43.42 C ATOM 1993 O MET A 129 11.417 6.368 8.103 1.00 15.30 O ATOM 1994 CB MET A 129 10.885 9.394 6.913 1.00 51.45 C ATOM 1995 CG MET A 129 11.662 10.464 6.165 1.00 33.25 C ATOM 1996 SD MET A 129 11.566 12.080 6.957 1.00 2.22 S ATOM 1997 CE MET A 129 9.799 12.370 6.923 1.00 72.14 C ATOM 0 H MET A 129 9.887 8.598 4.776 1.00 13.24 H new ATOM 0 HA MET A 129 12.169 7.831 6.205 1.00 22.22 H new ATOM 0 HB2 MET A 129 9.822 9.632 6.868 1.00 51.45 H new ATOM 0 HB3 MET A 129 11.173 9.417 7.964 1.00 51.45 H new ATOM 0 HG2 MET A 129 12.707 10.163 6.091 1.00 33.25 H new ATOM 0 HG3 MET A 129 11.279 10.540 5.147 1.00 33.25 H new ATOM 0 HE1 MET A 129 9.584 13.358 7.331 1.00 72.14 H new ATOM 0 HE2 MET A 129 9.441 12.317 5.895 1.00 72.14 H new ATOM 0 HE3 MET A 129 9.294 11.612 7.523 1.00 72.14 H new ATOM 2007 N LYS A 130 9.300 6.751 7.442 1.00 72.21 N ATOM 2008 CA LYS A 130 8.728 5.770 8.362 1.00 64.45 C ATOM 2009 C LYS A 130 9.271 4.370 8.078 1.00 72.23 C ATOM 2010 O LYS A 130 9.648 3.644 8.999 1.00 21.21 O ATOM 2011 CB LYS A 130 7.195 5.769 8.295 1.00 4.33 C ATOM 2012 CG LYS A 130 6.546 6.942 9.016 1.00 63.13 C ATOM 2013 CD LYS A 130 5.046 6.731 9.181 1.00 51.23 C ATOM 2014 CE LYS A 130 4.423 7.801 10.065 1.00 51.50 C ATOM 2015 NZ LYS A 130 2.977 7.552 10.323 1.00 75.01 N ATOM 0 H LYS A 130 8.616 7.244 6.868 1.00 72.21 H new ATOM 0 HA LYS A 130 9.024 6.058 9.371 1.00 64.45 H new ATOM 0 HB2 LYS A 130 6.887 5.782 7.250 1.00 4.33 H new ATOM 0 HB3 LYS A 130 6.823 4.839 8.726 1.00 4.33 H new ATOM 0 HG2 LYS A 130 7.007 7.069 9.995 1.00 63.13 H new ATOM 0 HG3 LYS A 130 6.727 7.860 8.457 1.00 63.13 H new ATOM 0 HD2 LYS A 130 4.567 6.743 8.202 1.00 51.23 H new ATOM 0 HD3 LYS A 130 4.862 5.748 9.614 1.00 51.23 H new ATOM 0 HE2 LYS A 130 4.957 7.841 11.014 1.00 51.50 H new ATOM 0 HE3 LYS A 130 4.542 8.775 9.591 1.00 51.50 H new ATOM 0 HZ1 LYS A 130 2.663 8.131 11.128 1.00 75.01 H new ATOM 0 HZ2 LYS A 130 2.425 7.804 9.478 1.00 75.01 H new ATOM 0 HZ3 LYS A 130 2.832 6.546 10.543 1.00 75.01 H new ATOM 2029 N ALA A 131 9.330 4.009 6.803 1.00 43.34 N ATOM 2030 CA ALA A 131 9.861 2.713 6.396 1.00 4.40 C ATOM 2031 C ALA A 131 11.323 2.570 6.808 1.00 22.31 C ATOM 2032 O ALA A 131 11.727 1.548 7.364 1.00 35.32 O ATOM 2033 CB ALA A 131 9.712 2.532 4.893 1.00 12.05 C ATOM 0 H ALA A 131 9.016 4.596 6.030 1.00 43.34 H new ATOM 0 HA ALA A 131 9.289 1.935 6.902 1.00 4.40 H new ATOM 0 HB1 ALA A 131 10.112 1.561 4.602 1.00 12.05 H new ATOM 0 HB2 ALA A 131 8.657 2.586 4.623 1.00 12.05 H new ATOM 0 HB3 ALA A 131 10.260 3.320 4.376 1.00 12.05 H new ATOM 2039 N LYS A 132 12.107 3.611 6.553 1.00 41.43 N ATOM 2040 CA LYS A 132 13.524 3.608 6.898 1.00 24.04 C ATOM 2041 C LYS A 132 13.729 3.612 8.410 1.00 30.10 C ATOM 2042 O LYS A 132 14.665 2.994 8.912 1.00 72.44 O ATOM 2043 CB LYS A 132 14.230 4.798 6.247 1.00 15.00 C ATOM 2044 CG LYS A 132 14.379 4.637 4.743 1.00 13.34 C ATOM 2045 CD LYS A 132 14.884 5.904 4.078 1.00 34.01 C ATOM 2046 CE LYS A 132 15.081 5.691 2.587 1.00 50.01 C ATOM 2047 NZ LYS A 132 15.115 6.975 1.845 1.00 44.01 N ATOM 0 H LYS A 132 11.785 4.470 6.107 1.00 41.43 H new ATOM 0 HA LYS A 132 13.965 2.689 6.512 1.00 24.04 H new ATOM 0 HB2 LYS A 132 13.669 5.708 6.458 1.00 15.00 H new ATOM 0 HB3 LYS A 132 15.216 4.921 6.695 1.00 15.00 H new ATOM 0 HG2 LYS A 132 15.068 3.819 4.533 1.00 13.34 H new ATOM 0 HG3 LYS A 132 13.417 4.361 4.312 1.00 13.34 H new ATOM 0 HD2 LYS A 132 14.174 6.714 4.243 1.00 34.01 H new ATOM 0 HD3 LYS A 132 15.826 6.208 4.534 1.00 34.01 H new ATOM 0 HE2 LYS A 132 16.011 5.149 2.417 1.00 50.01 H new ATOM 0 HE3 LYS A 132 14.274 5.069 2.199 1.00 50.01 H new ATOM 0 HZ1 LYS A 132 14.995 6.792 0.828 1.00 44.01 H new ATOM 0 HZ2 LYS A 132 14.345 7.590 2.179 1.00 44.01 H new ATOM 0 HZ3 LYS A 132 16.028 7.445 2.007 1.00 44.01 H new ATOM 2061 N SER A 133 12.841 4.287 9.131 1.00 52.21 N ATOM 2062 CA SER A 133 12.901 4.314 10.589 1.00 21.41 C ATOM 2063 C SER A 133 12.732 2.910 11.160 1.00 14.00 C ATOM 2064 O SER A 133 13.406 2.529 12.117 1.00 1.31 O ATOM 2065 CB SER A 133 11.817 5.236 11.154 1.00 24.30 C ATOM 2066 OG SER A 133 11.983 6.566 10.690 1.00 5.24 O ATOM 0 H SER A 133 12.071 4.823 8.731 1.00 52.21 H new ATOM 0 HA SER A 133 13.879 4.697 10.880 1.00 21.41 H new ATOM 0 HB2 SER A 133 10.834 4.867 10.863 1.00 24.30 H new ATOM 0 HB3 SER A 133 11.854 5.221 12.243 1.00 24.30 H new ATOM 0 HG SER A 133 11.519 6.674 9.834 1.00 5.24 H new ATOM 2072 N ALA A 134 11.846 2.137 10.550 1.00 32.11 N ATOM 2073 CA ALA A 134 11.571 0.782 11.005 1.00 60.53 C ATOM 2074 C ALA A 134 12.741 -0.151 10.700 1.00 22.51 C ATOM 2075 O ALA A 134 12.911 -1.180 11.349 1.00 72.11 O ATOM 2076 CB ALA A 134 10.296 0.263 10.360 1.00 33.54 C ATOM 0 H ALA A 134 11.304 2.426 9.736 1.00 32.11 H new ATOM 0 HA ALA A 134 11.437 0.807 12.086 1.00 60.53 H new ATOM 0 HB1 ALA A 134 10.099 -0.751 10.707 1.00 33.54 H new ATOM 0 HB2 ALA A 134 9.461 0.908 10.633 1.00 33.54 H new ATOM 0 HB3 ALA A 134 10.412 0.259 9.276 1.00 33.54 H new ATOM 2082 N LEU A 135 13.555 0.222 9.720 1.00 3.50 N ATOM 2083 CA LEU A 135 14.666 -0.622 9.291 1.00 51.31 C ATOM 2084 C LEU A 135 15.982 -0.188 9.937 1.00 70.25 C ATOM 2085 O LEU A 135 16.948 -0.954 9.981 1.00 63.01 O ATOM 2086 CB LEU A 135 14.797 -0.581 7.767 1.00 22.04 C ATOM 2087 CG LEU A 135 13.593 -1.125 6.991 1.00 30.21 C ATOM 2088 CD1 LEU A 135 13.799 -0.955 5.493 1.00 71.10 C ATOM 2089 CD2 LEU A 135 13.352 -2.590 7.328 1.00 4.14 C ATOM 0 H LEU A 135 13.468 1.100 9.208 1.00 3.50 H new ATOM 0 HA LEU A 135 14.453 -1.642 9.612 1.00 51.31 H new ATOM 0 HB2 LEU A 135 14.969 0.451 7.461 1.00 22.04 H new ATOM 0 HB3 LEU A 135 15.681 -1.150 7.479 1.00 22.04 H new ATOM 0 HG LEU A 135 12.713 -0.554 7.287 1.00 30.21 H new ATOM 0 HD11 LEU A 135 12.933 -1.347 4.960 1.00 71.10 H new ATOM 0 HD12 LEU A 135 13.920 0.103 5.260 1.00 71.10 H new ATOM 0 HD13 LEU A 135 14.692 -1.499 5.185 1.00 71.10 H new ATOM 0 HD21 LEU A 135 12.493 -2.956 6.766 1.00 4.14 H new ATOM 0 HD22 LEU A 135 14.234 -3.174 7.064 1.00 4.14 H new ATOM 0 HD23 LEU A 135 13.157 -2.690 8.396 1.00 4.14 H new ATOM 2101 N GLY A 136 16.010 1.034 10.450 1.00 73.33 N ATOM 2102 CA GLY A 136 17.221 1.555 11.063 1.00 44.25 C ATOM 2103 C GLY A 136 18.072 2.338 10.079 1.00 71.13 C ATOM 2104 O GLY A 136 19.285 2.491 10.266 1.00 24.10 O ATOM 0 H GLY A 136 15.217 1.676 10.454 1.00 73.33 H new ATOM 0 HA2 GLY A 136 16.954 2.198 11.901 1.00 44.25 H new ATOM 0 HA3 GLY A 136 17.805 0.729 11.469 1.00 44.25 H new ATOM 2108 N ILE A 137 17.431 2.833 9.030 1.00 11.54 N ATOM 2109 CA ILE A 137 18.108 3.602 7.997 1.00 32.55 C ATOM 2110 C ILE A 137 18.081 5.086 8.359 1.00 3.34 C ATOM 2111 O ILE A 137 17.140 5.548 9.005 1.00 42.12 O ATOM 2112 CB ILE A 137 17.440 3.384 6.616 1.00 52.43 C ATOM 2113 CG1 ILE A 137 17.357 1.890 6.295 1.00 21.30 C ATOM 2114 CG2 ILE A 137 18.204 4.114 5.521 1.00 61.14 C ATOM 2115 CD1 ILE A 137 16.664 1.583 4.984 1.00 62.44 C ATOM 0 H ILE A 137 16.431 2.713 8.872 1.00 11.54 H new ATOM 0 HA ILE A 137 19.141 3.261 7.934 1.00 32.55 H new ATOM 0 HB ILE A 137 16.430 3.793 6.660 1.00 52.43 H new ATOM 0 HG12 ILE A 137 18.366 1.478 6.267 1.00 21.30 H new ATOM 0 HG13 ILE A 137 16.828 1.384 7.102 1.00 21.30 H new ATOM 0 HG21 ILE A 137 17.715 3.945 4.562 1.00 61.14 H new ATOM 0 HG22 ILE A 137 18.219 5.182 5.738 1.00 61.14 H new ATOM 0 HG23 ILE A 137 19.226 3.738 5.478 1.00 61.14 H new ATOM 0 HD11 ILE A 137 16.644 0.505 4.827 1.00 62.44 H new ATOM 0 HD12 ILE A 137 15.643 1.964 5.014 1.00 62.44 H new ATOM 0 HD13 ILE A 137 17.205 2.059 4.166 1.00 62.44 H new