USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 558 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 Single : A 1 MET CE :methyl 162:sc= -0.0326 (180deg=-0.393) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.42 (180deg=0.576) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0345 X(o=-0.034,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.2) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 8 HIS : no HD1:sc=-0.00961 X(o=-0.0096,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.00061) USER MOD Single : A 11 SER OG : rot -13:sc= 0.668 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 30 ASN : amide:sc= -3.15! K(o=-3.2!,f=-0.85) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.9!) USER MOD Single : A 73 HIS : no HD1:sc= -3.49! C(o=-3.5!,f=-5.3!) USER MOD Single : A 85 THR OG1 : rot 70:sc= 0.881 USER MOD Single : A 91 HIS : no HE2:sc= 1.07 K(o=1.1,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.101 65.495 12.136 1.00 0.00 N ATOM 2 CA MET A 1 -22.902 64.178 11.491 1.00 52.33 C ATOM 3 C MET A 1 -21.584 63.569 11.943 1.00 43.24 C ATOM 4 O MET A 1 -20.595 64.281 12.126 1.00 33.31 O ATOM 5 CB MET A 1 -22.915 64.307 9.960 1.00 11.21 C ATOM 6 CG MET A 1 -24.269 64.699 9.378 1.00 25.45 C ATOM 7 SD MET A 1 -24.726 66.415 9.722 1.00 10.34 S ATOM 8 CE MET A 1 -23.545 67.294 8.703 1.00 72.11 C ATOM 0 H1 MET A 1 -23.783 66.053 11.583 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.466 65.358 13.100 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.194 66.001 12.178 1.00 0.00 H new ATOM 0 HA MET A 1 -23.724 63.527 11.790 1.00 52.33 H new ATOM 0 HB2 MET A 1 -22.175 65.050 9.663 1.00 11.21 H new ATOM 0 HB3 MET A 1 -22.606 63.357 9.524 1.00 11.21 H new ATOM 0 HG2 MET A 1 -24.251 64.544 8.299 1.00 25.45 H new ATOM 0 HG3 MET A 1 -25.036 64.038 9.782 1.00 25.45 H new ATOM 0 HE1 MET A 1 -23.887 68.318 8.551 1.00 72.11 H new ATOM 0 HE2 MET A 1 -22.574 67.305 9.199 1.00 72.11 H new ATOM 0 HE3 MET A 1 -23.454 66.795 7.738 1.00 72.11 H new ATOM 20 N GLY A 2 -21.575 62.257 12.127 1.00 51.44 N ATOM 21 CA GLY A 2 -20.381 61.576 12.582 1.00 55.25 C ATOM 22 C GLY A 2 -20.557 60.074 12.586 1.00 71.02 C ATOM 23 O GLY A 2 -20.650 59.453 13.645 1.00 51.22 O ATOM 0 H GLY A 2 -22.378 61.649 11.968 1.00 51.44 H new ATOM 0 HA2 GLY A 2 -19.543 61.842 11.937 1.00 55.25 H new ATOM 0 HA3 GLY A 2 -20.130 61.915 13.587 1.00 55.25 H new ATOM 27 N SER A 3 -20.628 59.491 11.400 1.00 11.32 N ATOM 28 CA SER A 3 -20.791 58.051 11.256 1.00 12.30 C ATOM 29 C SER A 3 -19.486 57.412 10.782 1.00 53.40 C ATOM 30 O SER A 3 -19.489 56.342 10.173 1.00 41.11 O ATOM 31 CB SER A 3 -21.914 57.758 10.257 1.00 41.32 C ATOM 32 OG SER A 3 -23.096 58.473 10.590 1.00 34.43 O ATOM 0 H SER A 3 -20.575 59.997 10.516 1.00 11.32 H new ATOM 0 HA SER A 3 -21.052 57.625 12.225 1.00 12.30 H new ATOM 0 HB2 SER A 3 -21.591 58.031 9.252 1.00 41.32 H new ATOM 0 HB3 SER A 3 -22.124 56.688 10.245 1.00 41.32 H new ATOM 0 HG SER A 3 -23.797 58.270 9.936 1.00 34.43 H new ATOM 38 N SER A 4 -18.372 58.061 11.089 1.00 53.12 N ATOM 39 CA SER A 4 -17.073 57.615 10.611 1.00 54.21 C ATOM 40 C SER A 4 -16.399 56.676 11.612 1.00 55.44 C ATOM 41 O SER A 4 -16.024 57.075 12.717 1.00 0.31 O ATOM 42 CB SER A 4 -16.180 58.823 10.318 1.00 43.35 C ATOM 43 OG SER A 4 -16.761 59.643 9.312 1.00 24.23 O ATOM 0 H SER A 4 -18.343 58.900 11.668 1.00 53.12 H new ATOM 0 HA SER A 4 -17.226 57.054 9.689 1.00 54.21 H new ATOM 0 HB2 SER A 4 -16.034 59.404 11.229 1.00 43.35 H new ATOM 0 HB3 SER A 4 -15.196 58.484 9.995 1.00 43.35 H new ATOM 0 HG SER A 4 -16.178 60.411 9.139 1.00 24.23 H new ATOM 49 N HIS A 5 -16.268 55.418 11.218 1.00 0.04 N ATOM 50 CA HIS A 5 -15.573 54.424 12.022 1.00 35.11 C ATOM 51 C HIS A 5 -14.378 53.887 11.253 1.00 10.31 C ATOM 52 O HIS A 5 -14.534 53.231 10.224 1.00 54.34 O ATOM 53 CB HIS A 5 -16.505 53.269 12.412 1.00 41.23 C ATOM 54 CG HIS A 5 -17.550 53.644 13.416 1.00 43.32 C ATOM 55 ND1 HIS A 5 -18.825 53.122 13.404 1.00 73.43 N ATOM 56 CD2 HIS A 5 -17.503 54.487 14.475 1.00 21.23 C ATOM 57 CE1 HIS A 5 -19.516 53.631 14.406 1.00 52.43 C ATOM 58 NE2 HIS A 5 -18.738 54.461 15.073 1.00 10.10 N ATOM 0 H HIS A 5 -16.638 55.059 10.338 1.00 0.04 H new ATOM 0 HA HIS A 5 -15.233 54.906 12.939 1.00 35.11 H new ATOM 0 HB2 HIS A 5 -16.996 52.893 11.515 1.00 41.23 H new ATOM 0 HB3 HIS A 5 -15.906 52.452 12.814 1.00 41.23 H new ATOM 0 HD2 HIS A 5 -16.651 55.071 14.790 1.00 21.23 H new ATOM 0 HE1 HIS A 5 -20.546 53.406 14.641 1.00 52.43 H new ATOM 0 HE2 HIS A 5 -19.010 54.996 15.898 1.00 10.10 H new ATOM 67 N HIS A 6 -13.188 54.183 11.742 1.00 33.51 N ATOM 68 CA HIS A 6 -11.973 53.731 11.083 1.00 74.02 C ATOM 69 C HIS A 6 -11.285 52.671 11.934 1.00 13.43 C ATOM 70 O HIS A 6 -10.852 52.939 13.055 1.00 11.44 O ATOM 71 CB HIS A 6 -11.022 54.909 10.795 1.00 25.20 C ATOM 72 CG HIS A 6 -10.542 55.637 12.015 1.00 61.43 C ATOM 73 ND1 HIS A 6 -9.261 55.517 12.508 1.00 44.23 N ATOM 74 CD2 HIS A 6 -11.179 56.496 12.842 1.00 41.22 C ATOM 75 CE1 HIS A 6 -9.135 56.267 13.584 1.00 62.24 C ATOM 76 NE2 HIS A 6 -10.283 56.872 13.809 1.00 33.14 N ATOM 0 H HIS A 6 -13.035 54.731 12.588 1.00 33.51 H new ATOM 0 HA HIS A 6 -12.244 53.290 10.124 1.00 74.02 H new ATOM 0 HB2 HIS A 6 -10.157 54.535 10.248 1.00 25.20 H new ATOM 0 HB3 HIS A 6 -11.531 55.618 10.142 1.00 25.20 H new ATOM 0 HD2 HIS A 6 -12.204 56.825 12.757 1.00 41.22 H new ATOM 0 HE1 HIS A 6 -8.241 56.369 14.181 1.00 62.24 H new ATOM 0 HE2 HIS A 6 -10.474 57.515 14.577 1.00 33.14 H new ATOM 85 N HIS A 7 -11.214 51.461 11.406 1.00 30.11 N ATOM 86 CA HIS A 7 -10.582 50.361 12.116 1.00 61.32 C ATOM 87 C HIS A 7 -10.012 49.348 11.129 1.00 53.12 C ATOM 88 O HIS A 7 -10.658 48.991 10.144 1.00 44.41 O ATOM 89 CB HIS A 7 -11.574 49.676 13.077 1.00 73.35 C ATOM 90 CG HIS A 7 -12.760 49.052 12.405 1.00 2.13 C ATOM 91 ND1 HIS A 7 -12.805 47.725 12.047 1.00 52.25 N ATOM 92 CD2 HIS A 7 -13.950 49.579 12.034 1.00 11.41 C ATOM 93 CE1 HIS A 7 -13.969 47.460 11.486 1.00 40.21 C ATOM 94 NE2 HIS A 7 -14.686 48.568 11.466 1.00 31.41 N ATOM 0 H HIS A 7 -11.586 51.215 10.489 1.00 30.11 H new ATOM 0 HA HIS A 7 -9.765 50.769 12.710 1.00 61.32 H new ATOM 0 HB2 HIS A 7 -11.044 48.907 13.638 1.00 73.35 H new ATOM 0 HB3 HIS A 7 -11.927 50.412 13.800 1.00 73.35 H new ATOM 0 HD2 HIS A 7 -14.263 50.605 12.161 1.00 11.41 H new ATOM 0 HE1 HIS A 7 -14.283 46.499 11.107 1.00 40.21 H new ATOM 0 HE2 HIS A 7 -15.630 48.658 11.091 1.00 31.41 H new ATOM 103 N HIS A 8 -8.791 48.915 11.389 1.00 33.44 N ATOM 104 CA HIS A 8 -8.139 47.912 10.564 1.00 1.24 C ATOM 105 C HIS A 8 -7.157 47.106 11.400 1.00 62.12 C ATOM 106 O HIS A 8 -6.260 47.666 12.031 1.00 34.13 O ATOM 107 CB HIS A 8 -7.435 48.559 9.356 1.00 73.00 C ATOM 108 CG HIS A 8 -6.583 49.753 9.684 1.00 44.43 C ATOM 109 ND1 HIS A 8 -7.044 51.048 9.583 1.00 3.51 N ATOM 110 CD2 HIS A 8 -5.295 49.849 10.098 1.00 54.05 C ATOM 111 CE1 HIS A 8 -6.080 51.884 9.918 1.00 62.44 C ATOM 112 NE2 HIS A 8 -5.008 51.185 10.235 1.00 60.42 N ATOM 0 H HIS A 8 -8.227 49.245 12.172 1.00 33.44 H new ATOM 0 HA HIS A 8 -8.901 47.236 10.176 1.00 1.24 H new ATOM 0 HB2 HIS A 8 -6.811 47.807 8.873 1.00 73.00 H new ATOM 0 HB3 HIS A 8 -8.192 48.859 8.631 1.00 73.00 H new ATOM 0 HD2 HIS A 8 -4.620 49.027 10.285 1.00 54.05 H new ATOM 0 HE1 HIS A 8 -6.156 52.961 9.930 1.00 62.44 H new ATOM 0 HE2 HIS A 8 -4.113 51.573 10.533 1.00 60.42 H new ATOM 121 N HIS A 9 -7.334 45.793 11.412 1.00 2.12 N ATOM 122 CA HIS A 9 -6.514 44.928 12.245 1.00 23.24 C ATOM 123 C HIS A 9 -6.395 43.538 11.621 1.00 71.23 C ATOM 124 O HIS A 9 -7.208 42.652 11.891 1.00 11.03 O ATOM 125 CB HIS A 9 -7.116 44.830 13.654 1.00 33.44 C ATOM 126 CG HIS A 9 -6.105 44.590 14.737 1.00 61.33 C ATOM 127 ND1 HIS A 9 -5.664 45.588 15.578 1.00 55.22 N ATOM 128 CD2 HIS A 9 -5.462 43.464 15.125 1.00 42.23 C ATOM 129 CE1 HIS A 9 -4.794 45.090 16.432 1.00 52.11 C ATOM 130 NE2 HIS A 9 -4.651 43.804 16.182 1.00 63.31 N ATOM 0 H HIS A 9 -8.036 45.305 10.856 1.00 2.12 H new ATOM 0 HA HIS A 9 -5.515 45.358 12.317 1.00 23.24 H new ATOM 0 HB2 HIS A 9 -7.654 45.752 13.872 1.00 33.44 H new ATOM 0 HB3 HIS A 9 -7.848 44.022 13.669 1.00 33.44 H new ATOM 0 HD2 HIS A 9 -5.566 42.483 14.687 1.00 42.23 H new ATOM 0 HE1 HIS A 9 -4.284 45.643 17.207 1.00 52.11 H new ATOM 0 HE2 HIS A 9 -4.039 43.165 16.690 1.00 63.31 H new ATOM 139 N HIS A 10 -5.396 43.367 10.767 1.00 52.01 N ATOM 140 CA HIS A 10 -5.129 42.085 10.121 1.00 34.11 C ATOM 141 C HIS A 10 -3.729 42.104 9.527 1.00 2.33 C ATOM 142 O HIS A 10 -3.335 43.092 8.903 1.00 3.22 O ATOM 143 CB HIS A 10 -6.178 41.767 9.035 1.00 71.51 C ATOM 144 CG HIS A 10 -6.214 42.731 7.883 1.00 13.43 C ATOM 145 ND1 HIS A 10 -7.087 43.797 7.817 1.00 52.31 N ATOM 146 CD2 HIS A 10 -5.489 42.771 6.738 1.00 72.22 C ATOM 147 CE1 HIS A 10 -6.897 44.448 6.685 1.00 31.25 C ATOM 148 NE2 HIS A 10 -5.936 43.848 6.014 1.00 4.14 N ATOM 0 H HIS A 10 -4.748 44.109 10.501 1.00 52.01 H new ATOM 0 HA HIS A 10 -5.196 41.297 10.871 1.00 34.11 H new ATOM 0 HB2 HIS A 10 -5.984 40.767 8.646 1.00 71.51 H new ATOM 0 HB3 HIS A 10 -7.164 41.743 9.500 1.00 71.51 H new ATOM 0 HD2 HIS A 10 -4.707 42.084 6.450 1.00 72.22 H new ATOM 0 HE1 HIS A 10 -7.439 45.325 6.363 1.00 31.25 H new ATOM 0 HE2 HIS A 10 -5.581 44.137 5.103 1.00 4.14 H new ATOM 157 N SER A 11 -2.970 41.040 9.749 1.00 63.54 N ATOM 158 CA SER A 11 -1.597 40.966 9.264 1.00 41.23 C ATOM 159 C SER A 11 -1.128 39.516 9.145 1.00 12.03 C ATOM 160 O SER A 11 -0.958 38.827 10.151 1.00 21.01 O ATOM 161 CB SER A 11 -0.663 41.738 10.204 1.00 53.30 C ATOM 162 OG SER A 11 -1.043 43.099 10.297 1.00 14.04 O ATOM 0 H SER A 11 -3.281 40.215 10.262 1.00 63.54 H new ATOM 0 HA SER A 11 -1.567 41.417 8.272 1.00 41.23 H new ATOM 0 HB2 SER A 11 -0.682 41.284 11.195 1.00 53.30 H new ATOM 0 HB3 SER A 11 0.362 41.668 9.841 1.00 53.30 H new ATOM 0 HG SER A 11 -1.691 43.307 9.592 1.00 14.04 H new ATOM 168 N SER A 12 -0.945 39.059 7.911 1.00 32.43 N ATOM 169 CA SER A 12 -0.386 37.737 7.647 1.00 15.21 C ATOM 170 C SER A 12 0.023 37.614 6.181 1.00 42.43 C ATOM 171 O SER A 12 -0.634 38.167 5.294 1.00 14.34 O ATOM 172 CB SER A 12 -1.393 36.642 8.015 1.00 21.21 C ATOM 173 OG SER A 12 -2.665 36.896 7.444 1.00 2.25 O ATOM 0 H SER A 12 -1.178 39.589 7.071 1.00 32.43 H new ATOM 0 HA SER A 12 0.502 37.610 8.267 1.00 15.21 H new ATOM 0 HB2 SER A 12 -1.024 35.676 7.670 1.00 21.21 H new ATOM 0 HB3 SER A 12 -1.485 36.580 9.099 1.00 21.21 H new ATOM 0 HG SER A 12 -3.285 36.180 7.695 1.00 2.25 H new ATOM 179 N GLY A 13 1.118 36.909 5.933 1.00 22.22 N ATOM 180 CA GLY A 13 1.592 36.724 4.577 1.00 74.25 C ATOM 181 C GLY A 13 3.099 36.572 4.515 1.00 61.23 C ATOM 182 O GLY A 13 3.835 37.539 4.720 1.00 45.34 O ATOM 0 H GLY A 13 1.688 36.460 6.650 1.00 22.22 H new ATOM 0 HA2 GLY A 13 1.121 35.840 4.146 1.00 74.25 H new ATOM 0 HA3 GLY A 13 1.289 37.576 3.968 1.00 74.25 H new ATOM 186 N ARG A 14 3.555 35.357 4.232 1.00 54.44 N ATOM 187 CA ARG A 14 4.979 35.056 4.143 1.00 53.22 C ATOM 188 C ARG A 14 5.190 33.632 3.648 1.00 3.31 C ATOM 189 O ARG A 14 5.789 33.409 2.596 1.00 34.10 O ATOM 190 CB ARG A 14 5.666 35.212 5.504 1.00 72.10 C ATOM 191 CG ARG A 14 7.163 34.943 5.452 1.00 53.41 C ATOM 192 CD ARG A 14 7.774 34.824 6.841 1.00 53.22 C ATOM 193 NE ARG A 14 9.219 34.598 6.778 1.00 21.13 N ATOM 194 CZ ARG A 14 9.892 33.767 7.581 1.00 64.41 C ATOM 195 NH1 ARG A 14 9.257 33.056 8.510 1.00 51.13 N ATOM 196 NH2 ARG A 14 11.204 33.642 7.449 1.00 52.23 N ATOM 0 H ARG A 14 2.950 34.555 4.058 1.00 54.44 H new ATOM 0 HA ARG A 14 5.418 35.763 3.439 1.00 53.22 H new ATOM 0 HB2 ARG A 14 5.497 36.223 5.876 1.00 72.10 H new ATOM 0 HB3 ARG A 14 5.205 34.529 6.217 1.00 72.10 H new ATOM 0 HG2 ARG A 14 7.346 34.023 4.896 1.00 53.41 H new ATOM 0 HG3 ARG A 14 7.656 35.748 4.908 1.00 53.41 H new ATOM 0 HD2 ARG A 14 7.572 35.733 7.407 1.00 53.22 H new ATOM 0 HD3 ARG A 14 7.300 34.003 7.378 1.00 53.22 H new ATOM 0 HE ARG A 14 9.749 35.110 6.073 1.00 21.13 H new ATOM 0 HH11 ARG A 14 8.246 33.142 8.615 1.00 51.13 H new ATOM 0 HH12 ARG A 14 9.781 32.425 9.117 1.00 51.13 H new ATOM 0 HH21 ARG A 14 11.698 34.179 6.736 1.00 52.23 H new ATOM 0 HH22 ARG A 14 11.720 33.009 8.060 1.00 52.23 H new ATOM 210 N GLU A 15 4.675 32.679 4.416 1.00 63.25 N ATOM 211 CA GLU A 15 4.929 31.268 4.169 1.00 40.13 C ATOM 212 C GLU A 15 4.213 30.774 2.916 1.00 71.42 C ATOM 213 O GLU A 15 3.021 31.015 2.726 1.00 72.12 O ATOM 214 CB GLU A 15 4.502 30.440 5.381 1.00 52.41 C ATOM 215 CG GLU A 15 5.191 30.859 6.670 1.00 14.03 C ATOM 216 CD GLU A 15 4.796 30.004 7.855 1.00 43.32 C ATOM 217 OE1 GLU A 15 3.758 30.294 8.486 1.00 43.12 O ATOM 218 OE2 GLU A 15 5.536 29.046 8.171 1.00 55.53 O ATOM 0 H GLU A 15 4.075 32.862 5.220 1.00 63.25 H new ATOM 0 HA GLU A 15 6.000 31.147 4.005 1.00 40.13 H new ATOM 0 HB2 GLU A 15 3.423 30.527 5.509 1.00 52.41 H new ATOM 0 HB3 GLU A 15 4.717 29.389 5.188 1.00 52.41 H new ATOM 0 HG2 GLU A 15 6.271 30.804 6.533 1.00 14.03 H new ATOM 0 HG3 GLU A 15 4.949 31.900 6.883 1.00 14.03 H new ATOM 341 N LEU A 23 2.315 10.899 -7.860 1.00 61.24 N ATOM 342 CA LEU A 23 2.175 9.872 -6.831 1.00 14.42 C ATOM 343 C LEU A 23 3.232 8.796 -7.018 1.00 30.02 C ATOM 344 O LEU A 23 3.307 8.169 -8.078 1.00 33.44 O ATOM 345 CB LEU A 23 0.785 9.212 -6.863 1.00 60.23 C ATOM 346 CG LEU A 23 -0.385 10.060 -6.355 1.00 74.33 C ATOM 347 CD1 LEU A 23 -0.981 10.899 -7.473 1.00 3.44 C ATOM 348 CD2 LEU A 23 -1.447 9.164 -5.738 1.00 3.55 C ATOM 0 HA LEU A 23 2.302 10.365 -5.867 1.00 14.42 H new ATOM 0 HB2 LEU A 23 0.571 8.916 -7.890 1.00 60.23 H new ATOM 0 HB3 LEU A 23 0.827 8.298 -6.270 1.00 60.23 H new ATOM 0 HG LEU A 23 -0.008 10.741 -5.592 1.00 74.33 H new ATOM 0 HD11 LEU A 23 -1.809 11.490 -7.082 1.00 3.44 H new ATOM 0 HD12 LEU A 23 -0.217 11.565 -7.875 1.00 3.44 H new ATOM 0 HD13 LEU A 23 -1.344 10.244 -8.265 1.00 3.44 H new ATOM 0 HD21 LEU A 23 -2.275 9.775 -5.379 1.00 3.55 H new ATOM 0 HD22 LEU A 23 -1.812 8.463 -6.488 1.00 3.55 H new ATOM 0 HD23 LEU A 23 -1.016 8.611 -4.903 1.00 3.55 H new ATOM 360 N ARG A 24 4.060 8.604 -6.010 1.00 64.40 N ATOM 361 CA ARG A 24 5.010 7.511 -6.014 1.00 11.00 C ATOM 362 C ARG A 24 4.626 6.484 -4.959 1.00 45.50 C ATOM 363 O ARG A 24 3.748 6.733 -4.134 1.00 11.25 O ATOM 364 CB ARG A 24 6.432 8.018 -5.789 1.00 23.14 C ATOM 365 CG ARG A 24 6.917 8.945 -6.892 1.00 74.44 C ATOM 366 CD ARG A 24 8.394 9.260 -6.750 1.00 65.02 C ATOM 367 NE ARG A 24 8.687 9.948 -5.497 1.00 10.12 N ATOM 368 CZ ARG A 24 9.740 9.678 -4.731 1.00 21.42 C ATOM 369 NH1 ARG A 24 10.591 8.720 -5.085 1.00 35.44 N ATOM 370 NH2 ARG A 24 9.941 10.368 -3.615 1.00 45.20 N ATOM 0 H ARG A 24 4.093 9.192 -5.177 1.00 64.40 H new ATOM 0 HA ARG A 24 4.983 7.033 -6.993 1.00 11.00 H new ATOM 0 HB2 ARG A 24 6.477 8.544 -4.835 1.00 23.14 H new ATOM 0 HB3 ARG A 24 7.108 7.166 -5.716 1.00 23.14 H new ATOM 0 HG2 ARG A 24 6.735 8.483 -7.862 1.00 74.44 H new ATOM 0 HG3 ARG A 24 6.343 9.871 -6.868 1.00 74.44 H new ATOM 0 HD2 ARG A 24 8.969 8.335 -6.799 1.00 65.02 H new ATOM 0 HD3 ARG A 24 8.715 9.879 -7.588 1.00 65.02 H new ATOM 0 HE ARG A 24 8.046 10.680 -5.190 1.00 10.12 H new ATOM 0 HH11 ARG A 24 10.436 8.192 -5.944 1.00 35.44 H new ATOM 0 HH12 ARG A 24 11.399 8.513 -4.498 1.00 35.44 H new ATOM 0 HH21 ARG A 24 9.288 11.104 -3.346 1.00 45.20 H new ATOM 0 HH22 ARG A 24 10.748 10.162 -3.026 1.00 45.20 H new ATOM 384 N GLU A 25 5.288 5.337 -4.981 1.00 30.53 N ATOM 385 CA GLU A 25 4.885 4.214 -4.152 1.00 64.43 C ATOM 386 C GLU A 25 5.414 4.358 -2.730 1.00 21.43 C ATOM 387 O GLU A 25 6.574 4.717 -2.522 1.00 11.20 O ATOM 388 CB GLU A 25 5.380 2.904 -4.763 1.00 40.41 C ATOM 389 CG GLU A 25 4.719 1.671 -4.174 1.00 50.24 C ATOM 390 CD GLU A 25 5.138 0.403 -4.882 1.00 5.22 C ATOM 391 OE1 GLU A 25 5.162 0.394 -6.132 1.00 72.05 O ATOM 392 OE2 GLU A 25 5.426 -0.598 -4.198 1.00 34.20 O ATOM 0 H GLU A 25 6.106 5.161 -5.564 1.00 30.53 H new ATOM 0 HA GLU A 25 3.796 4.202 -4.109 1.00 64.43 H new ATOM 0 HB2 GLU A 25 5.201 2.924 -5.838 1.00 40.41 H new ATOM 0 HB3 GLU A 25 6.458 2.831 -4.621 1.00 40.41 H new ATOM 0 HG2 GLU A 25 4.973 1.595 -3.117 1.00 50.24 H new ATOM 0 HG3 GLU A 25 3.636 1.778 -4.235 1.00 50.24 H new ATOM 399 N LEU A 26 4.551 4.095 -1.758 1.00 71.34 N ATOM 400 CA LEU A 26 4.944 4.094 -0.357 1.00 53.20 C ATOM 401 C LEU A 26 5.235 2.672 0.102 1.00 3.31 C ATOM 402 O LEU A 26 6.381 2.321 0.386 1.00 24.22 O ATOM 403 CB LEU A 26 3.848 4.719 0.515 1.00 42.34 C ATOM 404 CG LEU A 26 3.841 6.250 0.583 1.00 44.21 C ATOM 405 CD1 LEU A 26 5.167 6.766 1.114 1.00 40.24 C ATOM 406 CD2 LEU A 26 3.549 6.851 -0.780 1.00 64.01 C ATOM 0 H LEU A 26 3.567 3.878 -1.917 1.00 71.34 H new ATOM 0 HA LEU A 26 5.848 4.693 -0.251 1.00 53.20 H new ATOM 0 HB2 LEU A 26 2.879 4.386 0.142 1.00 42.34 H new ATOM 0 HB3 LEU A 26 3.950 4.330 1.528 1.00 42.34 H new ATOM 0 HG LEU A 26 3.049 6.554 1.268 1.00 44.21 H new ATOM 0 HD11 LEU A 26 5.143 7.855 1.155 1.00 40.24 H new ATOM 0 HD12 LEU A 26 5.338 6.369 2.115 1.00 40.24 H new ATOM 0 HD13 LEU A 26 5.973 6.445 0.454 1.00 40.24 H new ATOM 0 HD21 LEU A 26 3.549 7.938 -0.706 1.00 64.01 H new ATOM 0 HD22 LEU A 26 4.315 6.535 -1.488 1.00 64.01 H new ATOM 0 HD23 LEU A 26 2.573 6.511 -1.126 1.00 64.01 H new ATOM 418 N LEU A 27 4.200 1.850 0.151 1.00 0.34 N ATOM 419 CA LEU A 27 4.355 0.454 0.531 1.00 62.45 C ATOM 420 C LEU A 27 3.426 -0.427 -0.285 1.00 72.43 C ATOM 421 O LEU A 27 2.424 0.042 -0.828 1.00 34.23 O ATOM 422 CB LEU A 27 4.102 0.236 2.032 1.00 4.23 C ATOM 423 CG LEU A 27 2.725 0.658 2.554 1.00 30.13 C ATOM 424 CD1 LEU A 27 2.319 -0.211 3.733 1.00 13.13 C ATOM 425 CD2 LEU A 27 2.740 2.120 2.972 1.00 55.22 C ATOM 0 H LEU A 27 3.242 2.125 -0.068 1.00 0.34 H new ATOM 0 HA LEU A 27 5.388 0.176 0.323 1.00 62.45 H new ATOM 0 HB2 LEU A 27 4.243 -0.822 2.253 1.00 4.23 H new ATOM 0 HB3 LEU A 27 4.862 0.782 2.590 1.00 4.23 H new ATOM 0 HG LEU A 27 1.999 0.529 1.751 1.00 30.13 H new ATOM 0 HD11 LEU A 27 1.339 0.100 4.094 1.00 13.13 H new ATOM 0 HD12 LEU A 27 2.276 -1.254 3.419 1.00 13.13 H new ATOM 0 HD13 LEU A 27 3.051 -0.103 4.533 1.00 13.13 H new ATOM 0 HD21 LEU A 27 1.754 2.403 3.340 1.00 55.22 H new ATOM 0 HD22 LEU A 27 3.478 2.265 3.761 1.00 55.22 H new ATOM 0 HD23 LEU A 27 2.999 2.741 2.114 1.00 55.22 H new ATOM 437 N ARG A 28 3.777 -1.699 -0.371 1.00 51.10 N ATOM 438 CA ARG A 28 2.991 -2.672 -1.110 1.00 30.43 C ATOM 439 C ARG A 28 2.919 -3.960 -0.303 1.00 3.42 C ATOM 440 O ARG A 28 3.877 -4.734 -0.263 1.00 44.42 O ATOM 441 CB ARG A 28 3.627 -2.934 -2.478 1.00 53.24 C ATOM 442 CG ARG A 28 2.715 -3.647 -3.466 1.00 24.13 C ATOM 443 CD ARG A 28 3.483 -4.090 -4.701 1.00 3.32 C ATOM 444 NE ARG A 28 4.382 -3.048 -5.193 1.00 54.12 N ATOM 445 CZ ARG A 28 5.382 -3.262 -6.048 1.00 63.51 C ATOM 446 NH1 ARG A 28 5.576 -4.465 -6.579 1.00 11.41 N ATOM 447 NH2 ARG A 28 6.175 -2.252 -6.385 1.00 1.34 N ATOM 0 H ARG A 28 4.613 -2.085 0.068 1.00 51.10 H new ATOM 0 HA ARG A 28 1.984 -2.287 -1.271 1.00 30.43 H new ATOM 0 HB2 ARG A 28 3.938 -1.982 -2.910 1.00 53.24 H new ATOM 0 HB3 ARG A 28 4.529 -3.530 -2.338 1.00 53.24 H new ATOM 0 HG2 ARG A 28 2.261 -4.514 -2.986 1.00 24.13 H new ATOM 0 HG3 ARG A 28 1.902 -2.983 -3.759 1.00 24.13 H new ATOM 0 HD2 ARG A 28 4.060 -4.985 -4.467 1.00 3.32 H new ATOM 0 HD3 ARG A 28 2.779 -4.361 -5.487 1.00 3.32 H new ATOM 0 HE ARG A 28 4.235 -2.095 -4.860 1.00 54.12 H new ATOM 0 HH11 ARG A 28 4.956 -5.237 -6.333 1.00 11.41 H new ATOM 0 HH12 ARG A 28 6.345 -4.616 -7.232 1.00 11.41 H new ATOM 0 HH21 ARG A 28 6.016 -1.325 -5.991 1.00 1.34 H new ATOM 0 HH22 ARG A 28 6.944 -2.403 -7.038 1.00 1.34 H new ATOM 461 N THR A 29 1.795 -4.174 0.356 1.00 14.02 N ATOM 462 CA THR A 29 1.653 -5.301 1.260 1.00 12.20 C ATOM 463 C THR A 29 0.626 -6.292 0.722 1.00 74.31 C ATOM 464 O THR A 29 -0.066 -6.014 -0.262 1.00 54.32 O ATOM 465 CB THR A 29 1.241 -4.824 2.674 1.00 0.51 C ATOM 466 OG1 THR A 29 1.103 -5.939 3.563 1.00 11.13 O ATOM 467 CG2 THR A 29 -0.063 -4.045 2.627 1.00 21.41 C ATOM 0 H THR A 29 0.967 -3.583 0.282 1.00 14.02 H new ATOM 0 HA THR A 29 2.619 -5.800 1.331 1.00 12.20 H new ATOM 0 HB THR A 29 2.028 -4.168 3.044 1.00 0.51 H new ATOM 0 HG1 THR A 29 0.844 -5.618 4.452 1.00 11.13 H new ATOM 0 HG21 THR A 29 -0.330 -3.721 3.633 1.00 21.41 H new ATOM 0 HG22 THR A 29 0.057 -3.172 1.985 1.00 21.41 H new ATOM 0 HG23 THR A 29 -0.853 -4.682 2.229 1.00 21.41 H new ATOM 475 N ASN A 30 0.551 -7.456 1.351 1.00 60.21 N ATOM 476 CA ASN A 30 -0.420 -8.473 0.978 1.00 24.04 C ATOM 477 C ASN A 30 -1.551 -8.507 2.002 1.00 32.31 C ATOM 478 O ASN A 30 -2.522 -9.247 1.851 1.00 63.30 O ATOM 479 CB ASN A 30 0.242 -9.857 0.899 1.00 11.40 C ATOM 480 CG ASN A 30 1.410 -9.921 -0.073 1.00 74.53 C ATOM 481 OD1 ASN A 30 2.333 -10.717 0.103 1.00 31.30 O ATOM 482 ND2 ASN A 30 1.388 -9.084 -1.099 1.00 32.35 N ATOM 0 H ASN A 30 1.157 -7.720 2.128 1.00 60.21 H new ATOM 0 HA ASN A 30 -0.821 -8.222 -0.004 1.00 24.04 H new ATOM 0 HB2 ASN A 30 0.591 -10.140 1.892 1.00 11.40 H new ATOM 0 HB3 ASN A 30 -0.507 -10.592 0.603 1.00 11.40 H new ATOM 0 HD21 ASN A 30 2.152 -9.085 -1.775 1.00 32.35 H new ATOM 0 HD22 ASN A 30 0.607 -8.438 -1.214 1.00 32.35 H new ATOM 489 N ASP A 31 -1.410 -7.697 3.043 1.00 14.21 N ATOM 490 CA ASP A 31 -2.371 -7.672 4.142 1.00 34.31 C ATOM 491 C ASP A 31 -3.243 -6.422 4.083 1.00 51.43 C ATOM 492 O ASP A 31 -2.862 -5.413 3.489 1.00 73.43 O ATOM 493 CB ASP A 31 -1.635 -7.741 5.486 1.00 61.23 C ATOM 494 CG ASP A 31 -2.557 -7.543 6.670 1.00 35.02 C ATOM 495 OD1 ASP A 31 -3.559 -8.280 6.781 1.00 44.21 O ATOM 496 OD2 ASP A 31 -2.295 -6.638 7.483 1.00 61.42 O ATOM 0 H ASP A 31 -0.634 -7.044 3.151 1.00 14.21 H new ATOM 0 HA ASP A 31 -3.021 -8.541 4.045 1.00 34.31 H new ATOM 0 HB2 ASP A 31 -1.140 -8.708 5.575 1.00 61.23 H new ATOM 0 HB3 ASP A 31 -0.855 -6.980 5.507 1.00 61.23 H new ATOM 501 N ALA A 32 -4.419 -6.499 4.692 1.00 63.31 N ATOM 502 CA ALA A 32 -5.341 -5.374 4.721 1.00 73.11 C ATOM 503 C ALA A 32 -5.533 -4.862 6.143 1.00 51.34 C ATOM 504 O ALA A 32 -6.030 -3.755 6.349 1.00 5.52 O ATOM 505 CB ALA A 32 -6.680 -5.772 4.117 1.00 2.00 C ATOM 0 H ALA A 32 -4.757 -7.332 5.174 1.00 63.31 H new ATOM 0 HA ALA A 32 -4.912 -4.568 4.125 1.00 73.11 H new ATOM 0 HB1 ALA A 32 -7.360 -4.920 4.146 1.00 2.00 H new ATOM 0 HB2 ALA A 32 -6.534 -6.085 3.083 1.00 2.00 H new ATOM 0 HB3 ALA A 32 -7.107 -6.596 4.689 1.00 2.00 H new ATOM 511 N VAL A 33 -5.120 -5.665 7.119 1.00 31.40 N ATOM 512 CA VAL A 33 -5.291 -5.319 8.526 1.00 24.02 C ATOM 513 C VAL A 33 -4.344 -4.193 8.924 1.00 43.35 C ATOM 514 O VAL A 33 -4.758 -3.195 9.517 1.00 20.31 O ATOM 515 CB VAL A 33 -5.049 -6.539 9.441 1.00 71.55 C ATOM 516 CG1 VAL A 33 -5.207 -6.161 10.905 1.00 24.53 C ATOM 517 CG2 VAL A 33 -5.990 -7.677 9.079 1.00 74.04 C ATOM 0 H VAL A 33 -4.663 -6.563 6.960 1.00 31.40 H new ATOM 0 HA VAL A 33 -6.321 -4.987 8.653 1.00 24.02 H new ATOM 0 HB VAL A 33 -4.024 -6.877 9.287 1.00 71.55 H new ATOM 0 HG11 VAL A 33 -5.031 -7.038 11.528 1.00 24.53 H new ATOM 0 HG12 VAL A 33 -4.486 -5.384 11.160 1.00 24.53 H new ATOM 0 HG13 VAL A 33 -6.217 -5.789 11.078 1.00 24.53 H new ATOM 0 HG21 VAL A 33 -5.803 -8.527 9.736 1.00 74.04 H new ATOM 0 HG22 VAL A 33 -7.022 -7.347 9.197 1.00 74.04 H new ATOM 0 HG23 VAL A 33 -5.821 -7.974 8.044 1.00 74.04 H new ATOM 527 N LEU A 34 -3.074 -4.356 8.580 1.00 13.31 N ATOM 528 CA LEU A 34 -2.051 -3.366 8.883 1.00 72.03 C ATOM 529 C LEU A 34 -2.387 -2.025 8.230 1.00 33.34 C ATOM 530 O LEU A 34 -2.080 -0.962 8.771 1.00 32.44 O ATOM 531 CB LEU A 34 -0.684 -3.856 8.394 1.00 72.11 C ATOM 532 CG LEU A 34 0.503 -2.980 8.792 1.00 1.33 C ATOM 533 CD1 LEU A 34 0.654 -2.946 10.304 1.00 63.32 C ATOM 534 CD2 LEU A 34 1.778 -3.479 8.133 1.00 12.31 C ATOM 0 H LEU A 34 -2.725 -5.176 8.084 1.00 13.31 H new ATOM 0 HA LEU A 34 -2.016 -3.227 9.964 1.00 72.03 H new ATOM 0 HB2 LEU A 34 -0.518 -4.862 8.779 1.00 72.11 H new ATOM 0 HB3 LEU A 34 -0.711 -3.931 7.307 1.00 72.11 H new ATOM 0 HG LEU A 34 0.316 -1.964 8.445 1.00 1.33 H new ATOM 0 HD11 LEU A 34 1.504 -2.318 10.571 1.00 63.32 H new ATOM 0 HD12 LEU A 34 -0.253 -2.539 10.751 1.00 63.32 H new ATOM 0 HD13 LEU A 34 0.819 -3.957 10.676 1.00 63.32 H new ATOM 0 HD21 LEU A 34 2.613 -2.843 8.428 1.00 12.31 H new ATOM 0 HD22 LEU A 34 1.973 -4.504 8.448 1.00 12.31 H new ATOM 0 HD23 LEU A 34 1.664 -3.448 7.049 1.00 12.31 H new ATOM 546 N LEU A 35 -3.043 -2.085 7.078 1.00 73.20 N ATOM 547 CA LEU A 35 -3.396 -0.882 6.335 1.00 62.42 C ATOM 548 C LEU A 35 -4.438 -0.051 7.077 1.00 13.32 C ATOM 549 O LEU A 35 -4.549 1.152 6.846 1.00 10.34 O ATOM 550 CB LEU A 35 -3.915 -1.237 4.942 1.00 61.14 C ATOM 551 CG LEU A 35 -2.880 -1.844 3.996 1.00 12.21 C ATOM 552 CD1 LEU A 35 -3.507 -2.140 2.648 1.00 72.54 C ATOM 553 CD2 LEU A 35 -1.691 -0.911 3.838 1.00 10.43 C ATOM 0 H LEU A 35 -3.342 -2.955 6.637 1.00 73.20 H new ATOM 0 HA LEU A 35 -2.489 -0.286 6.236 1.00 62.42 H new ATOM 0 HB2 LEU A 35 -4.742 -1.939 5.048 1.00 61.14 H new ATOM 0 HB3 LEU A 35 -4.319 -0.335 4.482 1.00 61.14 H new ATOM 0 HG LEU A 35 -2.526 -2.781 4.426 1.00 12.21 H new ATOM 0 HD11 LEU A 35 -2.757 -2.572 1.985 1.00 72.54 H new ATOM 0 HD12 LEU A 35 -4.328 -2.845 2.776 1.00 72.54 H new ATOM 0 HD13 LEU A 35 -3.887 -1.216 2.213 1.00 72.54 H new ATOM 0 HD21 LEU A 35 -0.964 -1.360 3.161 1.00 10.43 H new ATOM 0 HD22 LEU A 35 -2.028 0.042 3.429 1.00 10.43 H new ATOM 0 HD23 LEU A 35 -1.227 -0.745 4.810 1.00 10.43 H new ATOM 565 N SER A 36 -5.200 -0.681 7.963 1.00 40.14 N ATOM 566 CA SER A 36 -6.173 0.043 8.770 1.00 45.45 C ATOM 567 C SER A 36 -5.459 0.964 9.759 1.00 71.44 C ATOM 568 O SER A 36 -5.899 2.087 10.012 1.00 40.22 O ATOM 569 CB SER A 36 -7.089 -0.939 9.507 1.00 73.13 C ATOM 570 OG SER A 36 -7.793 -1.764 8.588 1.00 1.44 O ATOM 0 H SER A 36 -5.163 -1.685 8.140 1.00 40.14 H new ATOM 0 HA SER A 36 -6.788 0.657 8.112 1.00 45.45 H new ATOM 0 HB2 SER A 36 -6.497 -1.560 10.179 1.00 73.13 H new ATOM 0 HB3 SER A 36 -7.798 -0.388 10.124 1.00 73.13 H new ATOM 0 HG SER A 36 -8.370 -2.384 9.081 1.00 1.44 H new ATOM 576 N ALA A 37 -4.333 0.497 10.287 1.00 30.42 N ATOM 577 CA ALA A 37 -3.533 1.297 11.200 1.00 35.45 C ATOM 578 C ALA A 37 -2.828 2.416 10.444 1.00 53.22 C ATOM 579 O ALA A 37 -2.829 3.573 10.872 1.00 42.13 O ATOM 580 CB ALA A 37 -2.522 0.418 11.921 1.00 74.11 C ATOM 0 H ALA A 37 -3.956 -0.431 10.097 1.00 30.42 H new ATOM 0 HA ALA A 37 -4.192 1.746 11.943 1.00 35.45 H new ATOM 0 HB1 ALA A 37 -1.929 1.029 12.602 1.00 74.11 H new ATOM 0 HB2 ALA A 37 -3.047 -0.351 12.487 1.00 74.11 H new ATOM 0 HB3 ALA A 37 -1.865 -0.054 11.191 1.00 74.11 H new ATOM 586 N VAL A 38 -2.244 2.064 9.305 1.00 2.53 N ATOM 587 CA VAL A 38 -1.551 3.032 8.457 1.00 22.52 C ATOM 588 C VAL A 38 -2.523 4.082 7.918 1.00 22.33 C ATOM 589 O VAL A 38 -2.226 5.280 7.901 1.00 14.35 O ATOM 590 CB VAL A 38 -0.843 2.329 7.275 1.00 61.55 C ATOM 591 CG1 VAL A 38 -0.158 3.339 6.371 1.00 50.14 C ATOM 592 CG2 VAL A 38 0.159 1.302 7.777 1.00 2.14 C ATOM 0 H VAL A 38 -2.236 1.110 8.944 1.00 2.53 H new ATOM 0 HA VAL A 38 -0.801 3.527 9.074 1.00 22.52 H new ATOM 0 HB VAL A 38 -1.605 1.811 6.692 1.00 61.55 H new ATOM 0 HG11 VAL A 38 0.332 2.818 5.548 1.00 50.14 H new ATOM 0 HG12 VAL A 38 -0.899 4.031 5.972 1.00 50.14 H new ATOM 0 HG13 VAL A 38 0.586 3.894 6.943 1.00 50.14 H new ATOM 0 HG21 VAL A 38 0.644 0.821 6.927 1.00 2.14 H new ATOM 0 HG22 VAL A 38 0.911 1.797 8.391 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -0.358 0.550 8.373 1.00 2.14 H new ATOM 602 N GLY A 39 -3.693 3.622 7.492 1.00 33.25 N ATOM 603 CA GLY A 39 -4.704 4.515 6.963 1.00 41.44 C ATOM 604 C GLY A 39 -5.161 5.530 7.984 1.00 44.44 C ATOM 605 O GLY A 39 -5.408 6.689 7.645 1.00 62.23 O ATOM 0 H GLY A 39 -3.960 2.638 7.504 1.00 33.25 H new ATOM 0 HA2 GLY A 39 -4.307 5.034 6.090 1.00 41.44 H new ATOM 0 HA3 GLY A 39 -5.560 3.932 6.625 1.00 41.44 H new ATOM 609 N ALA A 40 -5.260 5.098 9.238 1.00 75.25 N ATOM 610 CA ALA A 40 -5.661 5.981 10.323 1.00 52.53 C ATOM 611 C ALA A 40 -4.633 7.087 10.536 1.00 65.32 C ATOM 612 O ALA A 40 -4.978 8.198 10.934 1.00 30.22 O ATOM 613 CB ALA A 40 -5.862 5.188 11.605 1.00 1.15 C ATOM 0 H ALA A 40 -5.067 4.139 9.526 1.00 75.25 H new ATOM 0 HA ALA A 40 -6.607 6.447 10.049 1.00 52.53 H new ATOM 0 HB1 ALA A 40 -6.162 5.863 12.407 1.00 1.15 H new ATOM 0 HB2 ALA A 40 -6.639 4.439 11.452 1.00 1.15 H new ATOM 0 HB3 ALA A 40 -4.930 4.693 11.877 1.00 1.15 H new ATOM 619 N LEU A 41 -3.371 6.781 10.265 1.00 2.44 N ATOM 620 CA LEU A 41 -2.307 7.773 10.369 1.00 11.12 C ATOM 621 C LEU A 41 -2.438 8.802 9.254 1.00 3.45 C ATOM 622 O LEU A 41 -2.445 10.005 9.502 1.00 61.14 O ATOM 623 CB LEU A 41 -0.934 7.099 10.292 1.00 73.13 C ATOM 624 CG LEU A 41 -0.647 6.059 11.377 1.00 33.43 C ATOM 625 CD1 LEU A 41 0.710 5.418 11.147 1.00 42.22 C ATOM 626 CD2 LEU A 41 -0.707 6.697 12.758 1.00 34.05 C ATOM 0 H LEU A 41 -3.059 5.855 9.972 1.00 2.44 H new ATOM 0 HA LEU A 41 -2.398 8.275 11.332 1.00 11.12 H new ATOM 0 HB2 LEU A 41 -0.839 6.618 9.318 1.00 73.13 H new ATOM 0 HB3 LEU A 41 -0.167 7.871 10.342 1.00 73.13 H new ATOM 0 HG LEU A 41 -1.411 5.284 11.324 1.00 33.43 H new ATOM 0 HD11 LEU A 41 0.901 4.680 11.926 1.00 42.22 H new ATOM 0 HD12 LEU A 41 0.721 4.928 10.173 1.00 42.22 H new ATOM 0 HD13 LEU A 41 1.484 6.185 11.176 1.00 42.22 H new ATOM 0 HD21 LEU A 41 -0.500 5.942 13.517 1.00 34.05 H new ATOM 0 HD22 LEU A 41 0.036 7.491 12.824 1.00 34.05 H new ATOM 0 HD23 LEU A 41 -1.700 7.115 12.923 1.00 34.05 H new ATOM 638 N LEU A 42 -2.555 8.307 8.027 1.00 61.41 N ATOM 639 CA LEU A 42 -2.688 9.157 6.847 1.00 33.34 C ATOM 640 C LEU A 42 -3.916 10.060 6.959 1.00 3.32 C ATOM 641 O LEU A 42 -3.822 11.282 6.826 1.00 41.24 O ATOM 642 CB LEU A 42 -2.795 8.284 5.593 1.00 72.32 C ATOM 643 CG LEU A 42 -1.623 7.325 5.360 1.00 4.54 C ATOM 644 CD1 LEU A 42 -1.962 6.324 4.267 1.00 2.32 C ATOM 645 CD2 LEU A 42 -0.362 8.095 4.995 1.00 32.04 C ATOM 0 H LEU A 42 -2.560 7.308 7.821 1.00 61.41 H new ATOM 0 HA LEU A 42 -1.804 9.791 6.776 1.00 33.34 H new ATOM 0 HB2 LEU A 42 -3.714 7.701 5.654 1.00 72.32 H new ATOM 0 HB3 LEU A 42 -2.888 8.935 4.724 1.00 72.32 H new ATOM 0 HG LEU A 42 -1.440 6.781 6.287 1.00 4.54 H new ATOM 0 HD11 LEU A 42 -1.118 5.651 4.115 1.00 2.32 H new ATOM 0 HD12 LEU A 42 -2.838 5.746 4.562 1.00 2.32 H new ATOM 0 HD13 LEU A 42 -2.173 6.856 3.339 1.00 2.32 H new ATOM 0 HD21 LEU A 42 0.458 7.395 4.834 1.00 32.04 H new ATOM 0 HD22 LEU A 42 -0.536 8.666 4.083 1.00 32.04 H new ATOM 0 HD23 LEU A 42 -0.104 8.776 5.806 1.00 32.04 H new ATOM 657 N ASP A 43 -5.058 9.443 7.223 1.00 22.04 N ATOM 658 CA ASP A 43 -6.328 10.155 7.342 1.00 54.13 C ATOM 659 C ASP A 43 -6.344 11.051 8.578 1.00 32.13 C ATOM 660 O ASP A 43 -6.927 12.138 8.562 1.00 51.34 O ATOM 661 CB ASP A 43 -7.480 9.148 7.410 1.00 51.54 C ATOM 662 CG ASP A 43 -8.804 9.787 7.772 1.00 24.44 C ATOM 663 OD1 ASP A 43 -9.418 10.435 6.900 1.00 33.41 O ATOM 664 OD2 ASP A 43 -9.237 9.641 8.933 1.00 13.34 O ATOM 0 H ASP A 43 -5.134 8.435 7.361 1.00 22.04 H new ATOM 0 HA ASP A 43 -6.449 10.789 6.464 1.00 54.13 H new ATOM 0 HB2 ASP A 43 -7.576 8.648 6.446 1.00 51.54 H new ATOM 0 HB3 ASP A 43 -7.241 8.380 8.145 1.00 51.54 H new ATOM 669 N GLY A 44 -5.685 10.595 9.641 1.00 41.13 N ATOM 670 CA GLY A 44 -5.627 11.354 10.879 1.00 54.21 C ATOM 671 C GLY A 44 -4.867 12.653 10.725 1.00 63.25 C ATOM 672 O GLY A 44 -4.946 13.532 11.582 1.00 11.43 O ATOM 0 H GLY A 44 -5.186 9.706 9.666 1.00 41.13 H new ATOM 0 HA2 GLY A 44 -6.640 11.567 11.219 1.00 54.21 H new ATOM 0 HA3 GLY A 44 -5.153 10.748 11.651 1.00 54.21 H new ATOM 676 N ALA A 45 -4.120 12.772 9.640 1.00 52.31 N ATOM 677 CA ALA A 45 -3.410 14.000 9.343 1.00 2.20 C ATOM 678 C ALA A 45 -4.161 14.814 8.298 1.00 64.24 C ATOM 679 O ALA A 45 -4.685 15.886 8.598 1.00 64.33 O ATOM 680 CB ALA A 45 -1.997 13.696 8.873 1.00 43.22 C ATOM 0 H ALA A 45 -3.991 12.031 8.951 1.00 52.31 H new ATOM 0 HA ALA A 45 -3.348 14.592 10.256 1.00 2.20 H new ATOM 0 HB1 ALA A 45 -1.478 14.629 8.654 1.00 43.22 H new ATOM 0 HB2 ALA A 45 -1.461 13.157 9.655 1.00 43.22 H new ATOM 0 HB3 ALA A 45 -2.037 13.083 7.972 1.00 43.22 H new ATOM 686 N ASP A 46 -4.243 14.257 7.090 1.00 62.14 N ATOM 687 CA ASP A 46 -4.802 14.947 5.919 1.00 3.33 C ATOM 688 C ASP A 46 -4.396 14.199 4.661 1.00 73.33 C ATOM 689 O ASP A 46 -5.034 14.305 3.612 1.00 30.24 O ATOM 690 CB ASP A 46 -4.283 16.393 5.819 1.00 3.11 C ATOM 691 CG ASP A 46 -4.752 17.107 4.563 1.00 31.43 C ATOM 692 OD1 ASP A 46 -5.829 17.734 4.602 1.00 31.12 O ATOM 693 OD2 ASP A 46 -4.043 17.049 3.535 1.00 30.41 O ATOM 0 H ASP A 46 -3.923 13.309 6.891 1.00 62.14 H new ATOM 0 HA ASP A 46 -5.887 14.972 6.025 1.00 3.33 H new ATOM 0 HB2 ASP A 46 -4.614 16.953 6.694 1.00 3.11 H new ATOM 0 HB3 ASP A 46 -3.193 16.384 5.840 1.00 3.11 H new ATOM 698 N ILE A 47 -3.348 13.400 4.818 1.00 33.44 N ATOM 699 CA ILE A 47 -2.620 12.806 3.706 1.00 3.21 C ATOM 700 C ILE A 47 -3.533 12.097 2.711 1.00 65.24 C ATOM 701 O ILE A 47 -4.067 11.017 2.992 1.00 51.22 O ATOM 702 CB ILE A 47 -1.569 11.809 4.222 1.00 15.11 C ATOM 703 CG1 ILE A 47 -0.773 12.438 5.367 1.00 21.43 C ATOM 704 CG2 ILE A 47 -0.639 11.393 3.091 1.00 22.51 C ATOM 705 CD1 ILE A 47 0.151 11.475 6.075 1.00 74.22 C ATOM 0 H ILE A 47 -2.976 13.144 5.733 1.00 33.44 H new ATOM 0 HA ILE A 47 -2.135 13.630 3.183 1.00 3.21 H new ATOM 0 HB ILE A 47 -2.076 10.919 4.596 1.00 15.11 H new ATOM 0 HG12 ILE A 47 -0.185 13.267 4.974 1.00 21.43 H new ATOM 0 HG13 ILE A 47 -1.470 12.857 6.093 1.00 21.43 H new ATOM 0 HG21 ILE A 47 0.101 10.687 3.469 1.00 22.51 H new ATOM 0 HG22 ILE A 47 -1.219 10.921 2.298 1.00 22.51 H new ATOM 0 HG23 ILE A 47 -0.132 12.273 2.695 1.00 22.51 H new ATOM 0 HD11 ILE A 47 0.679 11.997 6.873 1.00 74.22 H new ATOM 0 HD12 ILE A 47 -0.432 10.658 6.500 1.00 74.22 H new ATOM 0 HD13 ILE A 47 0.873 11.074 5.364 1.00 74.22 H new ATOM 717 N GLY A 48 -3.716 12.728 1.554 1.00 20.42 N ATOM 718 CA GLY A 48 -4.435 12.105 0.465 1.00 14.10 C ATOM 719 C GLY A 48 -3.742 10.846 0.000 1.00 32.32 C ATOM 720 O GLY A 48 -2.628 10.898 -0.525 1.00 40.11 O ATOM 0 H GLY A 48 -3.374 13.668 1.354 1.00 20.42 H new ATOM 0 HA2 GLY A 48 -5.450 11.867 0.785 1.00 14.10 H new ATOM 0 HA3 GLY A 48 -4.519 12.805 -0.366 1.00 14.10 H new ATOM 724 N HIS A 49 -4.396 9.717 0.198 1.00 3.21 N ATOM 725 CA HIS A 49 -3.791 8.428 -0.083 1.00 44.54 C ATOM 726 C HIS A 49 -4.686 7.603 -0.988 1.00 50.32 C ATOM 727 O HIS A 49 -5.885 7.469 -0.741 1.00 54.25 O ATOM 728 CB HIS A 49 -3.499 7.677 1.225 1.00 75.32 C ATOM 729 CG HIS A 49 -4.695 7.481 2.112 1.00 22.11 C ATOM 730 ND1 HIS A 49 -5.177 8.458 2.960 1.00 63.25 N ATOM 731 CD2 HIS A 49 -5.496 6.405 2.289 1.00 32.55 C ATOM 732 CE1 HIS A 49 -6.221 7.989 3.621 1.00 24.13 C ATOM 733 NE2 HIS A 49 -6.434 6.745 3.231 1.00 61.14 N ATOM 0 H HIS A 49 -5.351 9.666 0.554 1.00 3.21 H new ATOM 0 HA HIS A 49 -2.847 8.595 -0.601 1.00 44.54 H new ATOM 0 HB2 HIS A 49 -3.079 6.701 0.982 1.00 75.32 H new ATOM 0 HB3 HIS A 49 -2.737 8.223 1.780 1.00 75.32 H new ATOM 0 HD1 HIS A 49 -4.788 9.396 3.061 1.00 63.25 H new ATOM 0 HD2 HIS A 49 -5.413 5.455 1.783 1.00 32.55 H new ATOM 0 HE1 HIS A 49 -6.801 8.530 4.354 1.00 24.13 H new ATOM 742 N LEU A 50 -4.102 7.068 -2.041 1.00 3.22 N ATOM 743 CA LEU A 50 -4.836 6.241 -2.979 1.00 75.32 C ATOM 744 C LEU A 50 -4.449 4.782 -2.801 1.00 42.30 C ATOM 745 O LEU A 50 -3.308 4.394 -3.062 1.00 32.21 O ATOM 746 CB LEU A 50 -4.586 6.691 -4.425 1.00 24.10 C ATOM 747 CG LEU A 50 -5.312 7.977 -4.858 1.00 4.04 C ATOM 748 CD1 LEU A 50 -4.740 9.202 -4.158 1.00 11.55 C ATOM 749 CD2 LEU A 50 -5.238 8.146 -6.366 1.00 41.40 C ATOM 0 H LEU A 50 -3.116 7.192 -2.270 1.00 3.22 H new ATOM 0 HA LEU A 50 -5.901 6.352 -2.774 1.00 75.32 H new ATOM 0 HB2 LEU A 50 -3.514 6.837 -4.561 1.00 24.10 H new ATOM 0 HB3 LEU A 50 -4.885 5.884 -5.094 1.00 24.10 H new ATOM 0 HG LEU A 50 -6.358 7.883 -4.565 1.00 4.04 H new ATOM 0 HD11 LEU A 50 -5.276 10.092 -4.487 1.00 11.55 H new ATOM 0 HD12 LEU A 50 -4.851 9.090 -3.079 1.00 11.55 H new ATOM 0 HD13 LEU A 50 -3.683 9.302 -4.406 1.00 11.55 H new ATOM 0 HD21 LEU A 50 -5.756 9.060 -6.656 1.00 41.40 H new ATOM 0 HD22 LEU A 50 -4.194 8.207 -6.674 1.00 41.40 H new ATOM 0 HD23 LEU A 50 -5.710 7.292 -6.851 1.00 41.40 H new ATOM 761 N VAL A 51 -5.393 3.989 -2.321 1.00 31.31 N ATOM 762 CA VAL A 51 -5.167 2.566 -2.117 1.00 54.00 C ATOM 763 C VAL A 51 -5.653 1.769 -3.324 1.00 30.32 C ATOM 764 O VAL A 51 -6.853 1.588 -3.531 1.00 5.12 O ATOM 765 CB VAL A 51 -5.852 2.061 -0.823 1.00 63.44 C ATOM 766 CG1 VAL A 51 -5.089 2.542 0.405 1.00 64.41 C ATOM 767 CG2 VAL A 51 -7.300 2.529 -0.750 1.00 64.45 C ATOM 0 H VAL A 51 -6.327 4.308 -2.064 1.00 31.31 H new ATOM 0 HA VAL A 51 -4.093 2.414 -2.005 1.00 54.00 H new ATOM 0 HB VAL A 51 -5.844 0.971 -0.844 1.00 63.44 H new ATOM 0 HG11 VAL A 51 -5.583 2.179 1.306 1.00 64.41 H new ATOM 0 HG12 VAL A 51 -4.069 2.160 0.372 1.00 64.41 H new ATOM 0 HG13 VAL A 51 -5.069 3.632 0.417 1.00 64.41 H new ATOM 0 HG21 VAL A 51 -7.756 2.160 0.169 1.00 64.45 H new ATOM 0 HG22 VAL A 51 -7.331 3.619 -0.758 1.00 64.45 H new ATOM 0 HG23 VAL A 51 -7.851 2.144 -1.608 1.00 64.45 H new ATOM 999 N PRO A 67 -2.054 -6.834 -4.692 1.00 1.22 N ATOM 1000 CA PRO A 67 -2.808 -6.968 -3.445 1.00 65.20 C ATOM 1001 C PRO A 67 -3.294 -5.622 -2.933 1.00 14.31 C ATOM 1002 O PRO A 67 -4.488 -5.339 -2.954 1.00 43.34 O ATOM 1003 CB PRO A 67 -1.801 -7.586 -2.465 1.00 12.31 C ATOM 1004 CG PRO A 67 -0.700 -8.111 -3.318 1.00 70.05 C ATOM 1005 CD PRO A 67 -0.649 -7.216 -4.520 1.00 71.32 C ATOM 0 HA PRO A 67 -3.705 -7.573 -3.575 1.00 65.20 H new ATOM 0 HB2 PRO A 67 -1.432 -6.843 -1.758 1.00 12.31 H new ATOM 0 HB3 PRO A 67 -2.260 -8.383 -1.879 1.00 12.31 H new ATOM 0 HG2 PRO A 67 0.249 -8.099 -2.782 1.00 70.05 H new ATOM 0 HG3 PRO A 67 -0.890 -9.144 -3.608 1.00 70.05 H new ATOM 0 HD2 PRO A 67 -0.010 -6.349 -4.353 1.00 71.32 H new ATOM 0 HD3 PRO A 67 -0.260 -7.735 -5.396 1.00 71.32 H new ATOM 1013 N ARG A 68 -2.359 -4.797 -2.482 1.00 44.23 N ATOM 1014 CA ARG A 68 -2.666 -3.444 -2.046 1.00 30.13 C ATOM 1015 C ARG A 68 -1.421 -2.576 -2.100 1.00 42.51 C ATOM 1016 O ARG A 68 -0.434 -2.835 -1.408 1.00 64.12 O ATOM 1017 CB ARG A 68 -3.261 -3.440 -0.634 1.00 32.24 C ATOM 1018 CG ARG A 68 -4.778 -3.321 -0.625 1.00 23.12 C ATOM 1019 CD ARG A 68 -5.229 -1.924 -1.032 1.00 23.35 C ATOM 1020 NE ARG A 68 -6.625 -1.892 -1.462 1.00 75.34 N ATOM 1021 CZ ARG A 68 -7.608 -1.278 -0.803 1.00 72.35 C ATOM 1022 NH1 ARG A 68 -7.388 -0.704 0.377 1.00 41.04 N ATOM 1023 NH2 ARG A 68 -8.820 -1.255 -1.329 1.00 55.22 N ATOM 0 H ARG A 68 -1.373 -5.046 -2.409 1.00 44.23 H new ATOM 0 HA ARG A 68 -3.411 -3.031 -2.726 1.00 30.13 H new ATOM 0 HB2 ARG A 68 -2.972 -4.358 -0.122 1.00 32.24 H new ATOM 0 HB3 ARG A 68 -2.834 -2.611 -0.069 1.00 32.24 H new ATOM 0 HG2 ARG A 68 -5.206 -4.056 -1.307 1.00 23.12 H new ATOM 0 HG3 ARG A 68 -5.157 -3.551 0.371 1.00 23.12 H new ATOM 0 HD2 ARG A 68 -5.095 -1.243 -0.192 1.00 23.35 H new ATOM 0 HD3 ARG A 68 -4.594 -1.562 -1.841 1.00 23.35 H new ATOM 0 HE ARG A 68 -6.865 -2.374 -2.328 1.00 75.34 H new ATOM 0 HH11 ARG A 68 -6.456 -0.730 0.791 1.00 41.04 H new ATOM 0 HH12 ARG A 68 -8.151 -0.238 0.868 1.00 41.04 H new ATOM 0 HH21 ARG A 68 -8.994 -1.703 -2.228 1.00 55.22 H new ATOM 0 HH22 ARG A 68 -9.581 -0.789 -0.836 1.00 55.22 H new ATOM 1037 N ARG A 69 -1.465 -1.563 -2.944 1.00 24.10 N ATOM 1038 CA ARG A 69 -0.369 -0.616 -3.056 1.00 55.32 C ATOM 1039 C ARG A 69 -0.835 0.754 -2.577 1.00 74.43 C ATOM 1040 O ARG A 69 -1.919 1.216 -2.944 1.00 21.30 O ATOM 1041 CB ARG A 69 0.151 -0.558 -4.504 1.00 51.44 C ATOM 1042 CG ARG A 69 -0.888 -0.106 -5.519 1.00 73.11 C ATOM 1043 CD ARG A 69 -0.502 -0.491 -6.940 1.00 43.34 C ATOM 1044 NE ARG A 69 0.745 0.136 -7.384 1.00 73.35 N ATOM 1045 CZ ARG A 69 1.419 -0.254 -8.467 1.00 1.05 C ATOM 1046 NH1 ARG A 69 0.952 -1.242 -9.220 1.00 23.01 N ATOM 1047 NH2 ARG A 69 2.540 0.363 -8.817 1.00 75.11 N ATOM 0 H ARG A 69 -2.251 -1.373 -3.565 1.00 24.10 H new ATOM 0 HA ARG A 69 0.459 -0.942 -2.427 1.00 55.32 H new ATOM 0 HB2 ARG A 69 1.003 0.120 -4.546 1.00 51.44 H new ATOM 0 HB3 ARG A 69 0.515 -1.545 -4.788 1.00 51.44 H new ATOM 0 HG2 ARG A 69 -1.853 -0.550 -5.273 1.00 73.11 H new ATOM 0 HG3 ARG A 69 -1.009 0.975 -5.457 1.00 73.11 H new ATOM 0 HD2 ARG A 69 -0.400 -1.574 -7.002 1.00 43.34 H new ATOM 0 HD3 ARG A 69 -1.306 -0.208 -7.619 1.00 43.34 H new ATOM 0 HE ARG A 69 1.118 0.912 -6.836 1.00 73.35 H new ATOM 0 HH11 ARG A 69 0.077 -1.704 -8.971 1.00 23.01 H new ATOM 0 HH12 ARG A 69 1.468 -1.540 -10.048 1.00 23.01 H new ATOM 0 HH21 ARG A 69 2.891 1.140 -8.257 1.00 75.11 H new ATOM 0 HH22 ARG A 69 3.051 0.060 -9.646 1.00 75.11 H new ATOM 1061 N VAL A 70 -0.036 1.385 -1.732 1.00 41.44 N ATOM 1062 CA VAL A 70 -0.403 2.667 -1.158 1.00 53.13 C ATOM 1063 C VAL A 70 0.467 3.774 -1.731 1.00 22.25 C ATOM 1064 O VAL A 70 1.692 3.747 -1.591 1.00 3.04 O ATOM 1065 CB VAL A 70 -0.269 2.656 0.378 1.00 15.42 C ATOM 1066 CG1 VAL A 70 -0.710 3.988 0.970 1.00 54.42 C ATOM 1067 CG2 VAL A 70 -1.074 1.513 0.978 1.00 61.22 C ATOM 0 H VAL A 70 0.871 1.029 -1.429 1.00 41.44 H new ATOM 0 HA VAL A 70 -1.446 2.852 -1.414 1.00 53.13 H new ATOM 0 HB VAL A 70 0.782 2.505 0.625 1.00 15.42 H new ATOM 0 HG11 VAL A 70 -0.607 3.956 2.055 1.00 54.42 H new ATOM 0 HG12 VAL A 70 -0.088 4.788 0.569 1.00 54.42 H new ATOM 0 HG13 VAL A 70 -1.752 4.174 0.710 1.00 54.42 H new ATOM 0 HG21 VAL A 70 -0.966 1.522 2.063 1.00 61.22 H new ATOM 0 HG22 VAL A 70 -2.125 1.632 0.717 1.00 61.22 H new ATOM 0 HG23 VAL A 70 -0.708 0.565 0.585 1.00 61.22 H new ATOM 1077 N LEU A 71 -0.167 4.722 -2.399 1.00 2.51 N ATOM 1078 CA LEU A 71 0.537 5.871 -2.951 1.00 31.21 C ATOM 1079 C LEU A 71 -0.108 7.162 -2.457 1.00 32.33 C ATOM 1080 O LEU A 71 -1.327 7.226 -2.274 1.00 33.23 O ATOM 1081 CB LEU A 71 0.535 5.848 -4.487 1.00 51.13 C ATOM 1082 CG LEU A 71 1.351 4.730 -5.155 1.00 62.20 C ATOM 1083 CD1 LEU A 71 0.639 3.390 -5.060 1.00 11.42 C ATOM 1084 CD2 LEU A 71 1.629 5.079 -6.609 1.00 54.33 C ATOM 0 H LEU A 71 -1.172 4.720 -2.574 1.00 2.51 H new ATOM 0 HA LEU A 71 1.572 5.823 -2.612 1.00 31.21 H new ATOM 0 HB2 LEU A 71 -0.498 5.766 -4.826 1.00 51.13 H new ATOM 0 HB3 LEU A 71 0.913 6.806 -4.843 1.00 51.13 H new ATOM 0 HG LEU A 71 2.298 4.642 -4.623 1.00 62.20 H new ATOM 0 HD11 LEU A 71 1.243 2.622 -5.542 1.00 11.42 H new ATOM 0 HD12 LEU A 71 0.491 3.130 -4.012 1.00 11.42 H new ATOM 0 HD13 LEU A 71 -0.328 3.456 -5.558 1.00 11.42 H new ATOM 0 HD21 LEU A 71 2.208 4.279 -7.071 1.00 54.33 H new ATOM 0 HD22 LEU A 71 0.685 5.198 -7.141 1.00 54.33 H new ATOM 0 HD23 LEU A 71 2.193 6.010 -6.658 1.00 54.33 H new ATOM 1096 N VAL A 72 0.710 8.177 -2.222 1.00 12.22 N ATOM 1097 CA VAL A 72 0.210 9.481 -1.807 1.00 42.35 C ATOM 1098 C VAL A 72 0.772 10.565 -2.715 1.00 75.34 C ATOM 1099 O VAL A 72 1.711 10.320 -3.470 1.00 53.12 O ATOM 1100 CB VAL A 72 0.564 9.812 -0.334 1.00 35.30 C ATOM 1101 CG1 VAL A 72 -0.034 8.783 0.614 1.00 75.31 C ATOM 1102 CG2 VAL A 72 2.068 9.904 -0.133 1.00 23.41 C ATOM 0 H VAL A 72 1.725 8.123 -2.312 1.00 12.22 H new ATOM 0 HA VAL A 72 -0.877 9.445 -1.886 1.00 42.35 H new ATOM 0 HB VAL A 72 0.132 10.786 -0.105 1.00 35.30 H new ATOM 0 HG11 VAL A 72 0.229 9.038 1.641 1.00 75.31 H new ATOM 0 HG12 VAL A 72 -1.119 8.778 0.508 1.00 75.31 H new ATOM 0 HG13 VAL A 72 0.359 7.795 0.374 1.00 75.31 H new ATOM 0 HG21 VAL A 72 2.282 10.137 0.910 1.00 23.41 H new ATOM 0 HG22 VAL A 72 2.529 8.951 -0.394 1.00 23.41 H new ATOM 0 HG23 VAL A 72 2.473 10.690 -0.771 1.00 23.41 H new ATOM 1112 N HIS A 73 0.188 11.753 -2.652 1.00 55.52 N ATOM 1113 CA HIS A 73 0.670 12.873 -3.452 1.00 5.33 C ATOM 1114 C HIS A 73 2.034 13.348 -2.943 1.00 41.21 C ATOM 1115 O HIS A 73 2.229 13.513 -1.737 1.00 60.33 O ATOM 1116 CB HIS A 73 -0.352 14.030 -3.472 1.00 45.13 C ATOM 1117 CG HIS A 73 -0.628 14.681 -2.141 1.00 55.21 C ATOM 1118 ND1 HIS A 73 -0.783 16.045 -1.993 1.00 43.35 N ATOM 1119 CD2 HIS A 73 -0.805 14.154 -0.902 1.00 60.22 C ATOM 1120 CE1 HIS A 73 -1.035 16.326 -0.730 1.00 62.54 C ATOM 1121 NE2 HIS A 73 -1.056 15.198 -0.047 1.00 13.43 N ATOM 0 H HIS A 73 -0.615 11.967 -2.060 1.00 55.52 H new ATOM 0 HA HIS A 73 0.790 12.528 -4.479 1.00 5.33 H new ATOM 0 HB2 HIS A 73 0.005 14.794 -4.162 1.00 45.13 H new ATOM 0 HB3 HIS A 73 -1.293 13.653 -3.873 1.00 45.13 H new ATOM 0 HD2 HIS A 73 -0.757 13.108 -0.638 1.00 60.22 H new ATOM 0 HE1 HIS A 73 -1.197 17.313 -0.323 1.00 62.54 H new ATOM 0 HE2 HIS A 73 -1.231 15.115 0.955 1.00 13.43 H new ATOM 1130 N GLU A 74 2.964 13.561 -3.876 1.00 55.11 N ATOM 1131 CA GLU A 74 4.341 13.972 -3.560 1.00 52.43 C ATOM 1132 C GLU A 74 4.376 15.188 -2.638 1.00 32.43 C ATOM 1133 O GLU A 74 5.310 15.364 -1.856 1.00 72.55 O ATOM 1134 CB GLU A 74 5.098 14.304 -4.846 1.00 50.45 C ATOM 1135 CG GLU A 74 5.236 13.132 -5.798 1.00 22.43 C ATOM 1136 CD GLU A 74 5.954 11.956 -5.174 1.00 1.53 C ATOM 1137 OE1 GLU A 74 7.186 12.051 -4.968 1.00 34.14 O ATOM 1138 OE2 GLU A 74 5.294 10.938 -4.905 1.00 34.44 O ATOM 0 H GLU A 74 2.787 13.454 -4.875 1.00 55.11 H new ATOM 0 HA GLU A 74 4.816 13.137 -3.046 1.00 52.43 H new ATOM 0 HB2 GLU A 74 4.584 15.117 -5.359 1.00 50.45 H new ATOM 0 HB3 GLU A 74 6.092 14.668 -4.587 1.00 50.45 H new ATOM 0 HG2 GLU A 74 4.245 12.816 -6.125 1.00 22.43 H new ATOM 0 HG3 GLU A 74 5.778 13.453 -6.687 1.00 22.43 H new ATOM 1145 N ASP A 75 3.339 16.007 -2.736 1.00 11.12 N ATOM 1146 CA ASP A 75 3.206 17.231 -1.948 1.00 0.23 C ATOM 1147 C ASP A 75 3.234 16.953 -0.440 1.00 55.22 C ATOM 1148 O ASP A 75 3.475 17.852 0.361 1.00 1.31 O ATOM 1149 CB ASP A 75 1.903 17.931 -2.345 1.00 61.14 C ATOM 1150 CG ASP A 75 1.680 19.252 -1.641 1.00 42.22 C ATOM 1151 OD1 ASP A 75 2.380 20.228 -1.968 1.00 15.21 O ATOM 1152 OD2 ASP A 75 0.775 19.327 -0.781 1.00 71.00 O ATOM 0 H ASP A 75 2.557 15.842 -3.370 1.00 11.12 H new ATOM 0 HA ASP A 75 4.058 17.876 -2.161 1.00 0.23 H new ATOM 0 HB2 ASP A 75 1.906 18.100 -3.422 1.00 61.14 H new ATOM 0 HB3 ASP A 75 1.065 17.269 -2.128 1.00 61.14 H new ATOM 1157 N ASP A 76 3.006 15.701 -0.054 1.00 64.13 N ATOM 1158 CA ASP A 76 3.011 15.328 1.357 1.00 44.04 C ATOM 1159 C ASP A 76 3.870 14.084 1.563 1.00 1.24 C ATOM 1160 O ASP A 76 3.848 13.466 2.622 1.00 71.51 O ATOM 1161 CB ASP A 76 1.582 15.059 1.838 1.00 50.21 C ATOM 1162 CG ASP A 76 1.416 15.242 3.338 1.00 34.31 C ATOM 1163 OD1 ASP A 76 1.597 14.263 4.086 1.00 62.42 O ATOM 1164 OD2 ASP A 76 1.085 16.366 3.767 1.00 33.21 O ATOM 0 H ASP A 76 2.816 14.931 -0.695 1.00 64.13 H new ATOM 0 HA ASP A 76 3.429 16.151 1.936 1.00 44.04 H new ATOM 0 HB2 ASP A 76 0.897 15.729 1.318 1.00 50.21 H new ATOM 0 HB3 ASP A 76 1.299 14.042 1.568 1.00 50.21 H new ATOM 1169 N LEU A 77 4.650 13.740 0.544 1.00 55.31 N ATOM 1170 CA LEU A 77 5.438 12.505 0.552 1.00 73.10 C ATOM 1171 C LEU A 77 6.375 12.464 1.760 1.00 24.24 C ATOM 1172 O LEU A 77 6.387 11.492 2.518 1.00 4.33 O ATOM 1173 CB LEU A 77 6.252 12.391 -0.743 1.00 45.13 C ATOM 1174 CG LEU A 77 6.382 10.979 -1.335 1.00 50.11 C ATOM 1175 CD1 LEU A 77 6.975 10.007 -0.330 1.00 64.21 C ATOM 1176 CD2 LEU A 77 5.030 10.479 -1.822 1.00 21.52 C ATOM 0 H LEU A 77 4.756 14.299 -0.303 1.00 55.31 H new ATOM 0 HA LEU A 77 4.750 11.662 0.620 1.00 73.10 H new ATOM 0 HB2 LEU A 77 5.796 13.037 -1.493 1.00 45.13 H new ATOM 0 HB3 LEU A 77 7.253 12.778 -0.555 1.00 45.13 H new ATOM 0 HG LEU A 77 7.063 11.037 -2.184 1.00 50.11 H new ATOM 0 HD11 LEU A 77 7.053 9.018 -0.782 1.00 64.21 H new ATOM 0 HD12 LEU A 77 7.967 10.349 -0.034 1.00 64.21 H new ATOM 0 HD13 LEU A 77 6.332 9.955 0.549 1.00 64.21 H new ATOM 0 HD21 LEU A 77 5.141 9.478 -2.238 1.00 21.52 H new ATOM 0 HD22 LEU A 77 4.331 10.449 -0.987 1.00 21.52 H new ATOM 0 HD23 LEU A 77 4.649 11.151 -2.591 1.00 21.52 H new ATOM 1188 N ALA A 78 7.138 13.536 1.939 1.00 32.32 N ATOM 1189 CA ALA A 78 8.113 13.613 3.016 1.00 34.51 C ATOM 1190 C ALA A 78 7.439 13.554 4.385 1.00 51.32 C ATOM 1191 O ALA A 78 7.973 12.959 5.323 1.00 54.32 O ATOM 1192 CB ALA A 78 8.946 14.878 2.887 1.00 52.30 C ATOM 0 H ALA A 78 7.098 14.367 1.348 1.00 32.32 H new ATOM 0 HA ALA A 78 8.771 12.748 2.933 1.00 34.51 H new ATOM 0 HB1 ALA A 78 9.671 14.921 3.700 1.00 52.30 H new ATOM 0 HB2 ALA A 78 9.472 14.872 1.932 1.00 52.30 H new ATOM 0 HB3 ALA A 78 8.294 15.750 2.936 1.00 52.30 H new ATOM 1198 N GLY A 79 6.263 14.162 4.492 1.00 55.35 N ATOM 1199 CA GLY A 79 5.550 14.174 5.754 1.00 71.23 C ATOM 1200 C GLY A 79 4.941 12.825 6.073 1.00 44.23 C ATOM 1201 O GLY A 79 5.094 12.311 7.183 1.00 4.42 O ATOM 0 H GLY A 79 5.792 14.646 3.728 1.00 55.35 H new ATOM 0 HA2 GLY A 79 6.233 14.462 6.554 1.00 71.23 H new ATOM 0 HA3 GLY A 79 4.764 14.928 5.719 1.00 71.23 H new ATOM 1205 N ALA A 80 4.269 12.246 5.085 1.00 2.03 N ATOM 1206 CA ALA A 80 3.614 10.955 5.242 1.00 71.40 C ATOM 1207 C ALA A 80 4.600 9.870 5.654 1.00 52.30 C ATOM 1208 O ALA A 80 4.322 9.079 6.556 1.00 51.01 O ATOM 1209 CB ALA A 80 2.910 10.563 3.953 1.00 31.40 C ATOM 0 H ALA A 80 4.164 12.657 4.157 1.00 2.03 H new ATOM 0 HA ALA A 80 2.877 11.052 6.039 1.00 71.40 H new ATOM 0 HB1 ALA A 80 2.424 9.596 4.083 1.00 31.40 H new ATOM 0 HB2 ALA A 80 2.161 11.315 3.704 1.00 31.40 H new ATOM 0 HB3 ALA A 80 3.639 10.497 3.146 1.00 31.40 H new ATOM 1215 N ARG A 81 5.759 9.839 5.005 1.00 3.25 N ATOM 1216 CA ARG A 81 6.749 8.807 5.278 1.00 12.14 C ATOM 1217 C ARG A 81 7.196 8.831 6.733 1.00 4.23 C ATOM 1218 O ARG A 81 7.198 7.794 7.393 1.00 34.12 O ATOM 1219 CB ARG A 81 7.962 8.938 4.356 1.00 32.41 C ATOM 1220 CG ARG A 81 7.661 8.591 2.909 1.00 55.24 C ATOM 1221 CD ARG A 81 8.931 8.299 2.130 1.00 4.33 C ATOM 1222 NE ARG A 81 9.654 7.150 2.679 1.00 54.52 N ATOM 1223 CZ ARG A 81 10.352 6.282 1.945 1.00 63.23 C ATOM 1224 NH1 ARG A 81 10.447 6.439 0.632 1.00 31.24 N ATOM 1225 NH2 ARG A 81 10.954 5.251 2.529 1.00 63.04 N ATOM 0 H ARG A 81 6.034 10.513 4.290 1.00 3.25 H new ATOM 0 HA ARG A 81 6.268 7.849 5.082 1.00 12.14 H new ATOM 0 HB2 ARG A 81 8.338 9.960 4.406 1.00 32.41 H new ATOM 0 HB3 ARG A 81 8.757 8.287 4.720 1.00 32.41 H new ATOM 0 HG2 ARG A 81 7.002 7.723 2.871 1.00 55.24 H new ATOM 0 HG3 ARG A 81 7.127 9.417 2.439 1.00 55.24 H new ATOM 0 HD2 ARG A 81 8.681 8.106 1.087 1.00 4.33 H new ATOM 0 HD3 ARG A 81 9.577 9.177 2.146 1.00 4.33 H new ATOM 0 HE ARG A 81 9.622 7.004 3.688 1.00 54.52 H new ATOM 0 HH11 ARG A 81 9.985 7.227 0.178 1.00 31.24 H new ATOM 0 HH12 ARG A 81 10.982 5.772 0.076 1.00 31.24 H new ATOM 0 HH21 ARG A 81 10.882 5.123 3.538 1.00 63.04 H new ATOM 0 HH22 ARG A 81 11.488 4.587 1.968 1.00 63.04 H new ATOM 1239 N ARG A 82 7.554 10.007 7.244 1.00 31.31 N ATOM 1240 CA ARG A 82 8.032 10.100 8.617 1.00 64.23 C ATOM 1241 C ARG A 82 6.925 9.745 9.597 1.00 72.40 C ATOM 1242 O ARG A 82 7.182 9.139 10.632 1.00 41.14 O ATOM 1243 CB ARG A 82 8.582 11.488 8.933 1.00 30.32 C ATOM 1244 CG ARG A 82 9.240 11.552 10.303 1.00 45.52 C ATOM 1245 CD ARG A 82 9.945 12.873 10.550 1.00 60.43 C ATOM 1246 NE ARG A 82 10.710 12.835 11.794 1.00 70.13 N ATOM 1247 CZ ARG A 82 11.985 13.197 11.899 1.00 35.11 C ATOM 1248 NH1 ARG A 82 12.632 13.679 10.845 1.00 2.22 N ATOM 1249 NH2 ARG A 82 12.621 13.078 13.058 1.00 61.24 N ATOM 0 H ARG A 82 7.523 10.892 6.738 1.00 31.31 H new ATOM 0 HA ARG A 82 8.846 9.383 8.723 1.00 64.23 H new ATOM 0 HB2 ARG A 82 9.308 11.771 8.171 1.00 30.32 H new ATOM 0 HB3 ARG A 82 7.772 12.216 8.887 1.00 30.32 H new ATOM 0 HG2 ARG A 82 8.484 11.398 11.073 1.00 45.52 H new ATOM 0 HG3 ARG A 82 9.959 10.738 10.395 1.00 45.52 H new ATOM 0 HD2 ARG A 82 10.611 13.095 9.716 1.00 60.43 H new ATOM 0 HD3 ARG A 82 9.211 13.678 10.595 1.00 60.43 H new ATOM 0 HE ARG A 82 10.235 12.510 12.636 1.00 70.13 H new ATOM 0 HH11 ARG A 82 12.151 13.773 9.950 1.00 2.22 H new ATOM 0 HH12 ARG A 82 13.610 13.956 10.930 1.00 2.22 H new ATOM 0 HH21 ARG A 82 12.132 12.708 13.873 1.00 61.24 H new ATOM 0 HH22 ARG A 82 13.599 13.357 13.134 1.00 61.24 H new ATOM 1263 N LEU A 83 5.694 10.112 9.263 1.00 2.12 N ATOM 1264 CA LEU A 83 4.548 9.794 10.102 1.00 4.44 C ATOM 1265 C LEU A 83 4.384 8.278 10.220 1.00 72.24 C ATOM 1266 O LEU A 83 4.151 7.749 11.308 1.00 74.34 O ATOM 1267 CB LEU A 83 3.279 10.419 9.517 1.00 65.50 C ATOM 1268 CG LEU A 83 2.024 10.252 10.370 1.00 75.33 C ATOM 1269 CD1 LEU A 83 2.185 10.961 11.703 1.00 74.53 C ATOM 1270 CD2 LEU A 83 0.806 10.780 9.633 1.00 12.41 C ATOM 0 H LEU A 83 5.465 10.631 8.415 1.00 2.12 H new ATOM 0 HA LEU A 83 4.716 10.206 11.097 1.00 4.44 H new ATOM 0 HB2 LEU A 83 3.455 11.483 9.361 1.00 65.50 H new ATOM 0 HB3 LEU A 83 3.095 9.980 8.537 1.00 65.50 H new ATOM 0 HG LEU A 83 1.879 9.189 10.561 1.00 75.33 H new ATOM 0 HD11 LEU A 83 1.280 10.830 12.296 1.00 74.53 H new ATOM 0 HD12 LEU A 83 3.035 10.539 12.239 1.00 74.53 H new ATOM 0 HD13 LEU A 83 2.356 12.024 11.532 1.00 74.53 H new ATOM 0 HD21 LEU A 83 -0.079 10.653 10.256 1.00 12.41 H new ATOM 0 HD22 LEU A 83 0.945 11.838 9.412 1.00 12.41 H new ATOM 0 HD23 LEU A 83 0.677 10.228 8.702 1.00 12.41 H new ATOM 1282 N LEU A 84 4.537 7.587 9.097 1.00 55.14 N ATOM 1283 CA LEU A 84 4.436 6.131 9.060 1.00 61.33 C ATOM 1284 C LEU A 84 5.604 5.478 9.789 1.00 64.15 C ATOM 1285 O LEU A 84 5.482 4.370 10.309 1.00 33.31 O ATOM 1286 CB LEU A 84 4.372 5.631 7.612 1.00 61.34 C ATOM 1287 CG LEU A 84 2.961 5.512 7.013 1.00 64.14 C ATOM 1288 CD1 LEU A 84 2.183 6.814 7.155 1.00 74.31 C ATOM 1289 CD2 LEU A 84 3.047 5.101 5.551 1.00 72.55 C ATOM 0 H LEU A 84 4.733 8.015 8.192 1.00 55.14 H new ATOM 0 HA LEU A 84 3.515 5.850 9.571 1.00 61.33 H new ATOM 0 HB2 LEU A 84 4.957 6.306 6.987 1.00 61.34 H new ATOM 0 HB3 LEU A 84 4.852 4.654 7.562 1.00 61.34 H new ATOM 0 HG LEU A 84 2.423 4.744 7.568 1.00 64.14 H new ATOM 0 HD11 LEU A 84 1.190 6.694 6.721 1.00 74.31 H new ATOM 0 HD12 LEU A 84 2.089 7.068 8.211 1.00 74.31 H new ATOM 0 HD13 LEU A 84 2.712 7.613 6.635 1.00 74.31 H new ATOM 0 HD21 LEU A 84 2.042 5.020 5.136 1.00 72.55 H new ATOM 0 HD22 LEU A 84 3.610 5.851 4.995 1.00 72.55 H new ATOM 0 HD23 LEU A 84 3.551 4.138 5.473 1.00 72.55 H new ATOM 1301 N THR A 85 6.740 6.153 9.813 1.00 12.00 N ATOM 1302 CA THR A 85 7.902 5.658 10.534 1.00 31.31 C ATOM 1303 C THR A 85 7.749 5.893 12.034 1.00 33.03 C ATOM 1304 O THR A 85 7.924 4.980 12.844 1.00 64.01 O ATOM 1305 CB THR A 85 9.190 6.353 10.050 1.00 42.52 C ATOM 1306 OG1 THR A 85 9.258 6.319 8.621 1.00 13.31 O ATOM 1307 CG2 THR A 85 10.419 5.675 10.632 1.00 34.13 C ATOM 0 H THR A 85 6.884 7.046 9.342 1.00 12.00 H new ATOM 0 HA THR A 85 7.974 4.588 10.338 1.00 31.31 H new ATOM 0 HB THR A 85 9.167 7.389 10.389 1.00 42.52 H new ATOM 0 HG1 THR A 85 8.570 6.908 8.247 1.00 13.31 H new ATOM 0 HG21 THR A 85 11.316 6.182 10.277 1.00 34.13 H new ATOM 0 HG22 THR A 85 10.381 5.724 11.720 1.00 34.13 H new ATOM 0 HG23 THR A 85 10.443 4.632 10.317 1.00 34.13 H new ATOM 1315 N ASP A 86 7.384 7.120 12.378 1.00 51.21 N ATOM 1316 CA ASP A 86 7.355 7.575 13.763 1.00 45.33 C ATOM 1317 C ASP A 86 6.264 6.878 14.575 1.00 14.11 C ATOM 1318 O ASP A 86 6.506 6.437 15.698 1.00 65.02 O ATOM 1319 CB ASP A 86 7.140 9.093 13.789 1.00 42.14 C ATOM 1320 CG ASP A 86 7.239 9.683 15.179 1.00 63.34 C ATOM 1321 OD1 ASP A 86 8.365 10.019 15.605 1.00 41.12 O ATOM 1322 OD2 ASP A 86 6.194 9.837 15.844 1.00 35.23 O ATOM 0 H ASP A 86 7.099 7.830 11.704 1.00 51.21 H new ATOM 0 HA ASP A 86 8.310 7.321 14.223 1.00 45.33 H new ATOM 0 HB2 ASP A 86 7.879 9.570 13.145 1.00 42.14 H new ATOM 0 HB3 ASP A 86 6.159 9.322 13.373 1.00 42.14 H new ATOM 1327 N ALA A 87 5.072 6.759 14.002 1.00 35.24 N ATOM 1328 CA ALA A 87 3.943 6.195 14.733 1.00 44.43 C ATOM 1329 C ALA A 87 3.349 4.992 14.013 1.00 15.30 C ATOM 1330 O ALA A 87 2.168 4.677 14.175 1.00 40.42 O ATOM 1331 CB ALA A 87 2.885 7.267 14.961 1.00 32.43 C ATOM 0 H ALA A 87 4.863 7.042 13.045 1.00 35.24 H new ATOM 0 HA ALA A 87 4.307 5.843 15.698 1.00 44.43 H new ATOM 0 HB1 ALA A 87 2.045 6.839 15.507 1.00 32.43 H new ATOM 0 HB2 ALA A 87 3.315 8.085 15.539 1.00 32.43 H new ATOM 0 HB3 ALA A 87 2.537 7.645 14.000 1.00 32.43 H new ATOM 1337 N GLY A 88 4.178 4.298 13.257 1.00 65.02 N ATOM 1338 CA GLY A 88 3.713 3.119 12.566 1.00 72.01 C ATOM 1339 C GLY A 88 4.731 2.003 12.590 1.00 73.54 C ATOM 1340 O GLY A 88 4.662 1.109 13.432 1.00 24.23 O ATOM 0 H GLY A 88 5.161 4.528 13.109 1.00 65.02 H new ATOM 0 HA2 GLY A 88 2.787 2.773 13.025 1.00 72.01 H new ATOM 0 HA3 GLY A 88 3.481 3.374 11.532 1.00 72.01 H new ATOM 1344 N LEU A 89 5.702 2.090 11.694 1.00 22.33 N ATOM 1345 CA LEU A 89 6.680 1.023 11.496 1.00 13.11 C ATOM 1346 C LEU A 89 7.696 1.398 10.417 1.00 63.01 C ATOM 1347 O LEU A 89 8.898 1.408 10.672 1.00 52.33 O ATOM 1348 CB LEU A 89 5.971 -0.299 11.135 1.00 34.44 C ATOM 1349 CG LEU A 89 4.843 -0.190 10.096 1.00 25.34 C ATOM 1350 CD1 LEU A 89 5.287 -0.714 8.738 1.00 42.51 C ATOM 1351 CD2 LEU A 89 3.608 -0.935 10.577 1.00 52.45 C ATOM 0 H LEU A 89 5.837 2.897 11.085 1.00 22.33 H new ATOM 0 HA LEU A 89 7.221 0.885 12.432 1.00 13.11 H new ATOM 0 HB2 LEU A 89 6.718 -1.000 10.761 1.00 34.44 H new ATOM 0 HB3 LEU A 89 5.559 -0.729 12.048 1.00 34.44 H new ATOM 0 HG LEU A 89 4.595 0.865 9.980 1.00 25.34 H new ATOM 0 HD11 LEU A 89 4.466 -0.623 8.027 1.00 42.51 H new ATOM 0 HD12 LEU A 89 6.139 -0.134 8.385 1.00 42.51 H new ATOM 0 HD13 LEU A 89 5.574 -1.762 8.828 1.00 42.51 H new ATOM 0 HD21 LEU A 89 2.818 -0.849 9.831 1.00 52.45 H new ATOM 0 HD22 LEU A 89 3.853 -1.987 10.727 1.00 52.45 H new ATOM 0 HD23 LEU A 89 3.267 -0.504 11.518 1.00 52.45 H new ATOM 1363 N ALA A 90 7.197 1.702 9.214 1.00 12.15 N ATOM 1364 CA ALA A 90 8.042 2.022 8.053 1.00 71.10 C ATOM 1365 C ALA A 90 8.973 0.867 7.685 1.00 74.44 C ATOM 1366 O ALA A 90 9.977 1.057 6.999 1.00 44.35 O ATOM 1367 CB ALA A 90 8.854 3.278 8.307 1.00 11.43 C ATOM 0 H ALA A 90 6.197 1.734 9.015 1.00 12.15 H new ATOM 0 HA ALA A 90 7.371 2.193 7.211 1.00 71.10 H new ATOM 0 HB1 ALA A 90 9.471 3.495 7.435 1.00 11.43 H new ATOM 0 HB2 ALA A 90 8.181 4.115 8.493 1.00 11.43 H new ATOM 0 HB3 ALA A 90 9.494 3.128 9.176 1.00 11.43 H new ATOM 1373 N HIS A 91 8.621 -0.331 8.118 1.00 23.03 N ATOM 1374 CA HIS A 91 9.463 -1.497 7.889 1.00 33.45 C ATOM 1375 C HIS A 91 8.934 -2.321 6.721 1.00 30.04 C ATOM 1376 O HIS A 91 9.692 -2.988 6.020 1.00 51.32 O ATOM 1377 CB HIS A 91 9.529 -2.352 9.158 1.00 33.13 C ATOM 1378 CG HIS A 91 10.483 -3.505 9.059 1.00 64.13 C ATOM 1379 ND1 HIS A 91 10.091 -4.781 8.719 1.00 61.52 N ATOM 1380 CD2 HIS A 91 11.822 -3.568 9.254 1.00 3.32 C ATOM 1381 CE1 HIS A 91 11.143 -5.576 8.709 1.00 34.24 C ATOM 1382 NE2 HIS A 91 12.206 -4.864 9.029 1.00 73.13 N ATOM 0 H HIS A 91 7.760 -0.524 8.629 1.00 23.03 H new ATOM 0 HA HIS A 91 10.468 -1.157 7.639 1.00 33.45 H new ATOM 0 HB2 HIS A 91 9.822 -1.720 9.996 1.00 33.13 H new ATOM 0 HB3 HIS A 91 8.533 -2.734 9.380 1.00 33.13 H new ATOM 0 HD1 HIS A 91 9.135 -5.067 8.508 1.00 61.52 H new ATOM 0 HD2 HIS A 91 12.467 -2.749 9.535 1.00 3.32 H new ATOM 0 HE1 HIS A 91 11.135 -6.631 8.478 1.00 34.24 H new ATOM 1391 N GLU A 92 7.625 -2.265 6.521 1.00 23.34 N ATOM 1392 CA GLU A 92 6.975 -3.001 5.442 1.00 51.55 C ATOM 1393 C GLU A 92 6.810 -2.117 4.209 1.00 4.13 C ATOM 1394 O GLU A 92 6.162 -2.502 3.234 1.00 4.53 O ATOM 1395 CB GLU A 92 5.611 -3.527 5.906 1.00 62.44 C ATOM 1396 CG GLU A 92 5.683 -4.758 6.809 1.00 44.33 C ATOM 1397 CD GLU A 92 6.539 -4.551 8.042 1.00 5.23 C ATOM 1398 OE1 GLU A 92 6.199 -3.688 8.872 1.00 53.34 O ATOM 1399 OE2 GLU A 92 7.561 -5.255 8.189 1.00 75.45 O ATOM 0 H GLU A 92 6.987 -1.714 7.095 1.00 23.34 H new ATOM 0 HA GLU A 92 7.606 -3.848 5.174 1.00 51.55 H new ATOM 0 HB2 GLU A 92 5.090 -2.731 6.438 1.00 62.44 H new ATOM 0 HB3 GLU A 92 5.011 -3.769 5.029 1.00 62.44 H new ATOM 0 HG2 GLU A 92 4.674 -5.032 7.118 1.00 44.33 H new ATOM 0 HG3 GLU A 92 6.080 -5.596 6.237 1.00 44.33 H new ATOM 1406 N LEU A 93 7.391 -0.923 4.261 1.00 60.12 N ATOM 1407 CA LEU A 93 7.362 -0.013 3.130 1.00 3.01 C ATOM 1408 C LEU A 93 8.291 -0.495 2.029 1.00 24.10 C ATOM 1409 O LEU A 93 9.307 -1.137 2.294 1.00 14.42 O ATOM 1410 CB LEU A 93 7.727 1.407 3.560 1.00 71.33 C ATOM 1411 CG LEU A 93 6.570 2.229 4.132 1.00 14.54 C ATOM 1412 CD1 LEU A 93 6.052 1.633 5.432 1.00 74.15 C ATOM 1413 CD2 LEU A 93 6.995 3.675 4.331 1.00 32.21 C ATOM 0 H LEU A 93 7.888 -0.566 5.077 1.00 60.12 H new ATOM 0 HA LEU A 93 6.345 0.004 2.738 1.00 3.01 H new ATOM 0 HB2 LEU A 93 8.518 1.352 4.308 1.00 71.33 H new ATOM 0 HB3 LEU A 93 8.138 1.936 2.700 1.00 71.33 H new ATOM 0 HG LEU A 93 5.752 2.203 3.412 1.00 14.54 H new ATOM 0 HD11 LEU A 93 5.231 2.242 5.810 1.00 74.15 H new ATOM 0 HD12 LEU A 93 5.698 0.618 5.251 1.00 74.15 H new ATOM 0 HD13 LEU A 93 6.856 1.611 6.168 1.00 74.15 H new ATOM 0 HD21 LEU A 93 6.161 4.247 4.738 1.00 32.21 H new ATOM 0 HD22 LEU A 93 7.835 3.715 5.024 1.00 32.21 H new ATOM 0 HD23 LEU A 93 7.294 4.102 3.373 1.00 32.21 H new ATOM 1425 N ARG A 94 7.938 -0.162 0.799 1.00 60.11 N ATOM 1426 CA ARG A 94 8.637 -0.671 -0.367 1.00 61.13 C ATOM 1427 C ARG A 94 9.175 0.488 -1.190 1.00 71.11 C ATOM 1428 O ARG A 94 10.387 0.657 -1.315 1.00 53.44 O ATOM 1429 CB ARG A 94 7.677 -1.525 -1.195 1.00 64.43 C ATOM 1430 CG ARG A 94 8.346 -2.383 -2.255 1.00 4.01 C ATOM 1431 CD ARG A 94 7.330 -3.313 -2.896 1.00 20.53 C ATOM 1432 NE ARG A 94 7.929 -4.254 -3.839 1.00 72.34 N ATOM 1433 CZ ARG A 94 7.935 -5.573 -3.660 1.00 43.34 C ATOM 1434 NH1 ARG A 94 7.520 -6.094 -2.510 1.00 64.54 N ATOM 1435 NH2 ARG A 94 8.394 -6.368 -4.617 1.00 65.04 N ATOM 0 H ARG A 94 7.163 0.465 0.582 1.00 60.11 H new ATOM 0 HA ARG A 94 9.479 -1.289 -0.055 1.00 61.13 H new ATOM 0 HB2 ARG A 94 7.116 -2.174 -0.522 1.00 64.43 H new ATOM 0 HB3 ARG A 94 6.955 -0.869 -1.680 1.00 64.43 H new ATOM 0 HG2 ARG A 94 8.798 -1.747 -3.016 1.00 4.01 H new ATOM 0 HG3 ARG A 94 9.151 -2.965 -1.807 1.00 4.01 H new ATOM 0 HD2 ARG A 94 6.813 -3.870 -2.115 1.00 20.53 H new ATOM 0 HD3 ARG A 94 6.578 -2.718 -3.414 1.00 20.53 H new ATOM 0 HE ARG A 94 8.367 -3.880 -4.681 1.00 72.34 H new ATOM 0 HH11 ARG A 94 7.195 -5.483 -1.761 1.00 64.54 H new ATOM 0 HH12 ARG A 94 7.526 -7.105 -2.377 1.00 64.54 H new ATOM 0 HH21 ARG A 94 8.742 -5.969 -5.489 1.00 65.04 H new ATOM 0 HH22 ARG A 94 8.399 -7.379 -4.481 1.00 65.04 H new