USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1077 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 10 ASN : amide:sc= -0.032 X(o=-0.063,f=-0.22) USER MOD Set 1.2: A 89 GLN : amide:sc= -0.0315 X(o=-0.063,f=-0.25) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 140:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -160:sc= -0.221 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= -0.0424 (180deg=-0.263) USER MOD Single : A 31 THR OG1 : rot 33:sc= -0.242 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 37 LYS NZ :NH3+ 167:sc= -0.0248 (180deg=-0.203) USER MOD Single : A 39 LYS NZ :NH3+ -118:sc= 0.983 (180deg=-1.07) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0.577 (180deg=0.547) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= -0.0556 (180deg=-0.291) USER MOD Single : A 50 GLN : amide:sc= -0.0245 X(o=-0.024,f=-0.28) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -121:sc= 0.672 (180deg=-3.25!) USER MOD Single : A 87 GLN : amide:sc= -0.524 K(o=-0.52,f=-1.5) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0.066 X(o=0.066,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 98:sc= -0.824 USER MOD Single : A 111 ASN : amide:sc= -0.188 K(o=-0.19,f=-4.9!) USER MOD Single : A 116 LYS NZ :NH3+ 167:sc= 1.14 (180deg=0.969) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0.822 (180deg=0.822) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -1.953 -13.081 0.338 1.00 44.54 N ATOM 21 CA GLY A 2 -0.700 -12.350 0.599 1.00 44.34 C ATOM 22 C GLY A 2 -0.517 -11.174 -0.351 1.00 21.23 C ATOM 23 O GLY A 2 0.546 -11.029 -0.970 1.00 61.00 O ATOM 0 HA2 GLY A 2 -0.698 -11.989 1.627 1.00 44.34 H new ATOM 0 HA3 GLY A 2 0.145 -13.031 0.499 1.00 44.34 H new ATOM 27 N THR A 3 -1.571 -10.346 -0.494 1.00 11.42 N ATOM 28 CA THR A 3 -1.525 -9.129 -1.321 1.00 74.21 C ATOM 29 C THR A 3 -0.907 -7.969 -0.527 1.00 54.13 C ATOM 30 O THR A 3 -1.313 -7.694 0.605 1.00 14.03 O ATOM 31 CB THR A 3 -2.947 -8.706 -1.826 1.00 72.24 C ATOM 32 OG1 THR A 3 -3.544 -9.790 -2.558 1.00 74.45 O ATOM 33 CG2 THR A 3 -2.901 -7.448 -2.726 1.00 4.34 C ATOM 0 H THR A 3 -2.472 -10.503 -0.042 1.00 11.42 H new ATOM 0 HA THR A 3 -0.909 -9.357 -2.191 1.00 74.21 H new ATOM 0 HB THR A 3 -3.544 -8.465 -0.947 1.00 72.24 H new ATOM 0 HG1 THR A 3 -4.433 -9.523 -2.871 1.00 74.45 H new ATOM 0 HG21 THR A 3 -3.911 -7.195 -3.050 1.00 4.34 H new ATOM 0 HG22 THR A 3 -2.481 -6.614 -2.164 1.00 4.34 H new ATOM 0 HG23 THR A 3 -2.279 -7.647 -3.599 1.00 4.34 H new ATOM 41 N VAL A 4 0.059 -7.280 -1.135 1.00 54.13 N ATOM 42 CA VAL A 4 0.691 -6.106 -0.530 1.00 15.33 C ATOM 43 C VAL A 4 -0.078 -4.884 -1.041 1.00 64.41 C ATOM 44 O VAL A 4 -0.045 -4.600 -2.232 1.00 10.44 O ATOM 45 CB VAL A 4 2.224 -6.015 -0.914 1.00 32.30 C ATOM 46 CG1 VAL A 4 2.929 -4.849 -0.174 1.00 11.12 C ATOM 47 CG2 VAL A 4 2.940 -7.368 -0.653 1.00 14.23 C ATOM 0 H VAL A 4 0.425 -7.518 -2.057 1.00 54.13 H new ATOM 0 HA VAL A 4 0.653 -6.165 0.558 1.00 15.33 H new ATOM 0 HB VAL A 4 2.287 -5.803 -1.981 1.00 32.30 H new ATOM 0 HG11 VAL A 4 3.980 -4.817 -0.462 1.00 11.12 H new ATOM 0 HG12 VAL A 4 2.451 -3.907 -0.441 1.00 11.12 H new ATOM 0 HG13 VAL A 4 2.853 -5.002 0.902 1.00 11.12 H new ATOM 0 HG21 VAL A 4 3.992 -7.281 -0.924 1.00 14.23 H new ATOM 0 HG22 VAL A 4 2.858 -7.626 0.403 1.00 14.23 H new ATOM 0 HG23 VAL A 4 2.474 -8.148 -1.254 1.00 14.23 H new ATOM 57 N VAL A 5 -0.800 -4.198 -0.142 1.00 73.42 N ATOM 58 CA VAL A 5 -1.605 -3.004 -0.474 1.00 21.03 C ATOM 59 C VAL A 5 -0.979 -1.759 0.191 1.00 3.32 C ATOM 60 O VAL A 5 -0.933 -1.649 1.407 1.00 45.25 O ATOM 61 CB VAL A 5 -3.137 -3.192 -0.089 1.00 61.35 C ATOM 62 CG1 VAL A 5 -3.814 -4.229 -1.020 1.00 34.24 C ATOM 63 CG2 VAL A 5 -3.342 -3.608 1.385 1.00 74.35 C ATOM 0 H VAL A 5 -0.844 -4.455 0.844 1.00 73.42 H new ATOM 0 HA VAL A 5 -1.589 -2.860 -1.554 1.00 21.03 H new ATOM 0 HB VAL A 5 -3.605 -2.216 -0.221 1.00 61.35 H new ATOM 0 HG11 VAL A 5 -4.861 -4.342 -0.739 1.00 34.24 H new ATOM 0 HG12 VAL A 5 -3.751 -3.887 -2.053 1.00 34.24 H new ATOM 0 HG13 VAL A 5 -3.307 -5.189 -0.924 1.00 34.24 H new ATOM 0 HG21 VAL A 5 -4.407 -3.721 1.587 1.00 74.35 H new ATOM 0 HG22 VAL A 5 -2.836 -4.556 1.569 1.00 74.35 H new ATOM 0 HG23 VAL A 5 -2.928 -2.842 2.040 1.00 74.35 H new ATOM 73 N ILE A 6 -0.456 -0.832 -0.619 1.00 22.54 N ATOM 74 CA ILE A 6 0.289 0.339 -0.123 1.00 33.34 C ATOM 75 C ILE A 6 -0.617 1.576 -0.198 1.00 51.00 C ATOM 76 O ILE A 6 -0.954 2.027 -1.295 1.00 10.13 O ATOM 77 CB ILE A 6 1.619 0.611 -0.937 1.00 32.34 C ATOM 78 CG1 ILE A 6 2.576 -0.643 -0.976 1.00 32.14 C ATOM 79 CG2 ILE A 6 2.359 1.849 -0.370 1.00 12.41 C ATOM 80 CD1 ILE A 6 2.209 -1.724 -1.990 1.00 54.30 C ATOM 0 H ILE A 6 -0.535 -0.869 -1.635 1.00 22.54 H new ATOM 0 HA ILE A 6 0.581 0.130 0.906 1.00 33.34 H new ATOM 0 HB ILE A 6 1.325 0.813 -1.967 1.00 32.34 H new ATOM 0 HG12 ILE A 6 3.588 -0.298 -1.190 1.00 32.14 H new ATOM 0 HG13 ILE A 6 2.596 -1.093 0.017 1.00 32.14 H new ATOM 0 HG21 ILE A 6 3.271 2.021 -0.942 1.00 12.41 H new ATOM 0 HG22 ILE A 6 1.714 2.724 -0.444 1.00 12.41 H new ATOM 0 HG23 ILE A 6 2.614 1.674 0.675 1.00 12.41 H new ATOM 0 HD11 ILE A 6 2.932 -2.538 -1.932 1.00 54.30 H new ATOM 0 HD12 ILE A 6 1.213 -2.107 -1.769 1.00 54.30 H new ATOM 0 HD13 ILE A 6 2.220 -1.300 -2.994 1.00 54.30 H new ATOM 92 N VAL A 7 -1.022 2.105 0.966 1.00 52.03 N ATOM 93 CA VAL A 7 -1.864 3.307 1.039 1.00 44.42 C ATOM 94 C VAL A 7 -0.993 4.551 1.101 1.00 45.13 C ATOM 95 O VAL A 7 -0.179 4.717 2.014 1.00 61.43 O ATOM 96 CB VAL A 7 -2.843 3.283 2.259 1.00 32.01 C ATOM 97 CG1 VAL A 7 -3.742 4.555 2.307 1.00 42.22 C ATOM 98 CG2 VAL A 7 -3.687 2.008 2.209 1.00 13.31 C ATOM 0 H VAL A 7 -0.777 1.715 1.876 1.00 52.03 H new ATOM 0 HA VAL A 7 -2.474 3.324 0.136 1.00 44.42 H new ATOM 0 HB VAL A 7 -2.253 3.285 3.176 1.00 32.01 H new ATOM 0 HG11 VAL A 7 -4.407 4.498 3.169 1.00 42.22 H new ATOM 0 HG12 VAL A 7 -3.114 5.442 2.391 1.00 42.22 H new ATOM 0 HG13 VAL A 7 -4.335 4.616 1.395 1.00 42.22 H new ATOM 0 HG21 VAL A 7 -4.370 1.990 3.059 1.00 13.31 H new ATOM 0 HG22 VAL A 7 -4.260 1.987 1.282 1.00 13.31 H new ATOM 0 HG23 VAL A 7 -3.033 1.137 2.250 1.00 13.31 H new ATOM 108 N VAL A 8 -1.163 5.415 0.097 1.00 32.43 N ATOM 109 CA VAL A 8 -0.432 6.675 -0.017 1.00 72.05 C ATOM 110 C VAL A 8 -1.425 7.830 -0.150 1.00 52.14 C ATOM 111 O VAL A 8 -2.483 7.682 -0.768 1.00 31.32 O ATOM 112 CB VAL A 8 0.538 6.682 -1.247 1.00 4.23 C ATOM 113 CG1 VAL A 8 1.429 7.940 -1.240 1.00 4.24 C ATOM 114 CG2 VAL A 8 1.373 5.382 -1.317 1.00 41.45 C ATOM 0 H VAL A 8 -1.820 5.256 -0.667 1.00 32.43 H new ATOM 0 HA VAL A 8 0.170 6.791 0.884 1.00 72.05 H new ATOM 0 HB VAL A 8 -0.068 6.717 -2.152 1.00 4.23 H new ATOM 0 HG11 VAL A 8 2.093 7.920 -2.104 1.00 4.24 H new ATOM 0 HG12 VAL A 8 0.802 8.830 -1.284 1.00 4.24 H new ATOM 0 HG13 VAL A 8 2.023 7.960 -0.326 1.00 4.24 H new ATOM 0 HG21 VAL A 8 2.035 5.421 -2.182 1.00 41.45 H new ATOM 0 HG22 VAL A 8 1.968 5.282 -0.409 1.00 41.45 H new ATOM 0 HG23 VAL A 8 0.705 4.525 -1.409 1.00 41.45 H new ATOM 124 N SER A 9 -1.078 8.970 0.447 1.00 73.04 N ATOM 125 CA SER A 9 -1.850 10.211 0.341 1.00 30.52 C ATOM 126 C SER A 9 -0.891 11.399 0.498 1.00 52.13 C ATOM 127 O SER A 9 0.148 11.278 1.163 1.00 11.53 O ATOM 128 CB SER A 9 -2.962 10.258 1.423 1.00 74.44 C ATOM 129 OG SER A 9 -3.847 9.151 1.331 1.00 74.11 O ATOM 0 H SER A 9 -0.243 9.060 1.025 1.00 73.04 H new ATOM 0 HA SER A 9 -2.336 10.259 -0.633 1.00 30.52 H new ATOM 0 HB2 SER A 9 -2.504 10.274 2.412 1.00 74.44 H new ATOM 0 HB3 SER A 9 -3.528 11.183 1.319 1.00 74.44 H new ATOM 0 HG SER A 9 -4.070 8.835 2.231 1.00 74.11 H new ATOM 135 N ASN A 10 -1.235 12.538 -0.131 1.00 63.44 N ATOM 136 CA ASN A 10 -0.455 13.789 -0.003 1.00 41.23 C ATOM 137 C ASN A 10 -0.607 14.351 1.424 1.00 0.01 C ATOM 138 O ASN A 10 0.343 14.896 1.992 1.00 71.21 O ATOM 139 CB ASN A 10 -0.910 14.830 -1.060 1.00 12.01 C ATOM 140 CG ASN A 10 -0.134 16.155 -1.016 1.00 65.44 C ATOM 141 OD1 ASN A 10 1.052 16.194 -0.689 1.00 74.50 O ATOM 142 ND2 ASN A 10 -0.797 17.251 -1.355 1.00 64.40 N ATOM 0 H ASN A 10 -2.052 12.620 -0.736 1.00 63.44 H new ATOM 0 HA ASN A 10 0.598 13.571 -0.184 1.00 41.23 H new ATOM 0 HB2 ASN A 10 -0.804 14.393 -2.053 1.00 12.01 H new ATOM 0 HB3 ASN A 10 -1.970 15.038 -0.915 1.00 12.01 H new ATOM 0 HD21 ASN A 10 -0.325 18.155 -1.349 1.00 64.40 H new ATOM 0 HD22 ASN A 10 -1.780 17.191 -1.622 1.00 64.40 H new ATOM 149 N ASP A 11 -1.813 14.199 1.994 1.00 2.13 N ATOM 150 CA ASP A 11 -2.084 14.554 3.400 1.00 62.53 C ATOM 151 C ASP A 11 -1.803 13.357 4.309 1.00 3.33 C ATOM 152 O ASP A 11 -2.184 12.224 4.002 1.00 71.51 O ATOM 153 CB ASP A 11 -3.538 15.057 3.583 1.00 31.31 C ATOM 154 CG ASP A 11 -3.726 16.493 3.070 1.00 23.42 C ATOM 155 OD1 ASP A 11 -3.948 16.674 1.866 1.00 24.12 O ATOM 156 OD2 ASP A 11 -3.628 17.445 3.873 1.00 60.01 O ATOM 0 H ASP A 11 -2.624 13.829 1.499 1.00 2.13 H new ATOM 0 HA ASP A 11 -1.418 15.370 3.681 1.00 62.53 H new ATOM 0 HB2 ASP A 11 -4.220 14.392 3.053 1.00 31.31 H new ATOM 0 HB3 ASP A 11 -3.806 15.013 4.639 1.00 31.31 H new ATOM 161 N GLU A 12 -1.151 13.643 5.438 1.00 50.22 N ATOM 162 CA GLU A 12 -0.688 12.635 6.394 1.00 60.24 C ATOM 163 C GLU A 12 -1.836 12.182 7.309 1.00 31.22 C ATOM 164 O GLU A 12 -1.908 11.010 7.674 1.00 24.24 O ATOM 165 CB GLU A 12 0.473 13.228 7.219 1.00 55.24 C ATOM 166 CG GLU A 12 1.122 12.247 8.208 1.00 14.00 C ATOM 167 CD GLU A 12 2.228 12.903 9.043 1.00 50.24 C ATOM 168 OE1 GLU A 12 3.381 12.963 8.574 1.00 54.12 O ATOM 169 OE2 GLU A 12 1.942 13.365 10.173 1.00 35.02 O ATOM 0 H GLU A 12 -0.926 14.598 5.718 1.00 50.22 H new ATOM 0 HA GLU A 12 -0.337 11.756 5.854 1.00 60.24 H new ATOM 0 HB2 GLU A 12 1.239 13.593 6.534 1.00 55.24 H new ATOM 0 HB3 GLU A 12 0.104 14.091 7.773 1.00 55.24 H new ATOM 0 HG2 GLU A 12 0.357 11.847 8.874 1.00 14.00 H new ATOM 0 HG3 GLU A 12 1.538 11.403 7.658 1.00 14.00 H new ATOM 176 N ARG A 13 -2.738 13.124 7.666 1.00 45.44 N ATOM 177 CA ARG A 13 -3.904 12.828 8.529 1.00 24.52 C ATOM 178 C ARG A 13 -4.877 11.862 7.847 1.00 11.42 C ATOM 179 O ARG A 13 -5.615 11.154 8.528 1.00 53.31 O ATOM 180 CB ARG A 13 -4.657 14.110 8.932 1.00 54.11 C ATOM 181 CG ARG A 13 -3.796 15.161 9.667 1.00 41.44 C ATOM 182 CD ARG A 13 -4.600 16.436 10.031 1.00 62.42 C ATOM 183 NE ARG A 13 -3.741 17.561 10.447 1.00 43.02 N ATOM 184 CZ ARG A 13 -3.069 17.660 11.604 1.00 63.10 C ATOM 185 NH1 ARG A 13 -3.110 16.703 12.523 1.00 21.31 N ATOM 186 NH2 ARG A 13 -2.379 18.756 11.859 1.00 24.13 N ATOM 0 H ARG A 13 -2.680 14.098 7.369 1.00 45.44 H new ATOM 0 HA ARG A 13 -3.509 12.357 9.429 1.00 24.52 H new ATOM 0 HB2 ARG A 13 -5.076 14.566 8.035 1.00 54.11 H new ATOM 0 HB3 ARG A 13 -5.496 13.836 9.572 1.00 54.11 H new ATOM 0 HG2 ARG A 13 -3.388 14.720 10.577 1.00 41.44 H new ATOM 0 HG3 ARG A 13 -2.949 15.436 9.039 1.00 41.44 H new ATOM 0 HD2 ARG A 13 -5.196 16.740 9.171 1.00 62.42 H new ATOM 0 HD3 ARG A 13 -5.297 16.202 10.836 1.00 62.42 H new ATOM 0 HE ARG A 13 -3.649 18.338 9.792 1.00 43.02 H new ATOM 0 HH11 ARG A 13 -3.664 15.862 12.359 1.00 21.31 H new ATOM 0 HH12 ARG A 13 -2.588 16.808 13.393 1.00 21.31 H new ATOM 0 HH21 ARG A 13 -2.361 19.517 11.180 1.00 24.13 H new ATOM 0 HH22 ARG A 13 -1.864 18.842 12.735 1.00 24.13 H new ATOM 200 N ILE A 14 -4.892 11.878 6.497 1.00 73.55 N ATOM 201 CA ILE A 14 -5.660 10.909 5.697 1.00 3.33 C ATOM 202 C ILE A 14 -5.111 9.493 5.958 1.00 23.15 C ATOM 203 O ILE A 14 -5.874 8.582 6.215 1.00 23.03 O ATOM 204 CB ILE A 14 -5.639 11.263 4.156 1.00 40.34 C ATOM 205 CG1 ILE A 14 -6.284 12.665 3.902 1.00 35.55 C ATOM 206 CG2 ILE A 14 -6.341 10.176 3.296 1.00 3.01 C ATOM 207 CD1 ILE A 14 -7.742 12.801 4.332 1.00 60.41 C ATOM 0 H ILE A 14 -4.376 12.558 5.938 1.00 73.55 H new ATOM 0 HA ILE A 14 -6.705 10.952 6.004 1.00 3.33 H new ATOM 0 HB ILE A 14 -4.594 11.295 3.848 1.00 40.34 H new ATOM 0 HG12 ILE A 14 -5.696 13.417 4.427 1.00 35.55 H new ATOM 0 HG13 ILE A 14 -6.214 12.891 2.838 1.00 35.55 H new ATOM 0 HG21 ILE A 14 -6.302 10.462 2.245 1.00 3.01 H new ATOM 0 HG22 ILE A 14 -5.833 9.221 3.431 1.00 3.01 H new ATOM 0 HG23 ILE A 14 -7.381 10.081 3.608 1.00 3.01 H new ATOM 0 HD11 ILE A 14 -8.093 13.809 4.113 1.00 60.41 H new ATOM 0 HD12 ILE A 14 -8.351 12.078 3.788 1.00 60.41 H new ATOM 0 HD13 ILE A 14 -7.825 12.613 5.402 1.00 60.41 H new ATOM 219 N LEU A 15 -3.771 9.353 5.968 1.00 21.43 N ATOM 220 CA LEU A 15 -3.093 8.072 6.286 1.00 41.52 C ATOM 221 C LEU A 15 -3.429 7.589 7.712 1.00 71.42 C ATOM 222 O LEU A 15 -3.620 6.397 7.944 1.00 54.03 O ATOM 223 CB LEU A 15 -1.563 8.248 6.156 1.00 5.24 C ATOM 224 CG LEU A 15 -1.054 8.620 4.736 1.00 21.54 C ATOM 225 CD1 LEU A 15 0.421 9.059 4.782 1.00 22.31 C ATOM 226 CD2 LEU A 15 -1.283 7.444 3.756 1.00 22.14 C ATOM 0 H LEU A 15 -3.128 10.116 5.758 1.00 21.43 H new ATOM 0 HA LEU A 15 -3.449 7.322 5.579 1.00 41.52 H new ATOM 0 HB2 LEU A 15 -1.243 9.023 6.853 1.00 5.24 H new ATOM 0 HB3 LEU A 15 -1.080 7.321 6.466 1.00 5.24 H new ATOM 0 HG LEU A 15 -1.628 9.470 4.366 1.00 21.54 H new ATOM 0 HD11 LEU A 15 0.756 9.315 3.777 1.00 22.31 H new ATOM 0 HD12 LEU A 15 0.522 9.929 5.430 1.00 22.31 H new ATOM 0 HD13 LEU A 15 1.031 8.244 5.171 1.00 22.31 H new ATOM 0 HD21 LEU A 15 -0.921 7.720 2.766 1.00 22.14 H new ATOM 0 HD22 LEU A 15 -0.742 6.566 4.108 1.00 22.14 H new ATOM 0 HD23 LEU A 15 -2.348 7.217 3.703 1.00 22.14 H new ATOM 238 N GLU A 16 -3.492 8.548 8.651 1.00 42.21 N ATOM 239 CA GLU A 16 -3.737 8.272 10.082 1.00 22.44 C ATOM 240 C GLU A 16 -5.187 7.806 10.312 1.00 14.33 C ATOM 241 O GLU A 16 -5.436 6.831 11.028 1.00 2.00 O ATOM 242 CB GLU A 16 -3.416 9.537 10.922 1.00 64.51 C ATOM 243 CG GLU A 16 -1.963 10.030 10.768 1.00 65.55 C ATOM 244 CD GLU A 16 -1.619 11.210 11.684 1.00 55.24 C ATOM 245 OE1 GLU A 16 -2.196 12.301 11.501 1.00 51.45 O ATOM 246 OE2 GLU A 16 -0.772 11.056 12.596 1.00 25.15 O ATOM 0 H GLU A 16 -3.375 9.539 8.442 1.00 42.21 H new ATOM 0 HA GLU A 16 -3.080 7.464 10.403 1.00 22.44 H new ATOM 0 HB2 GLU A 16 -4.095 10.338 10.630 1.00 64.51 H new ATOM 0 HB3 GLU A 16 -3.608 9.323 11.973 1.00 64.51 H new ATOM 0 HG2 GLU A 16 -1.283 9.205 10.980 1.00 65.55 H new ATOM 0 HG3 GLU A 16 -1.795 10.323 9.732 1.00 65.55 H new ATOM 253 N GLU A 17 -6.126 8.510 9.672 1.00 50.53 N ATOM 254 CA GLU A 17 -7.567 8.216 9.744 1.00 11.14 C ATOM 255 C GLU A 17 -7.888 6.869 9.063 1.00 62.55 C ATOM 256 O GLU A 17 -8.595 6.022 9.627 1.00 72.11 O ATOM 257 CB GLU A 17 -8.335 9.386 9.084 1.00 21.41 C ATOM 258 CG GLU A 17 -9.862 9.225 9.060 1.00 32.11 C ATOM 259 CD GLU A 17 -10.585 10.528 8.705 1.00 54.20 C ATOM 260 OE1 GLU A 17 -10.493 10.962 7.540 1.00 12.54 O ATOM 261 OE2 GLU A 17 -11.247 11.124 9.590 1.00 34.40 O ATOM 0 H GLU A 17 -5.907 9.312 9.080 1.00 50.53 H new ATOM 0 HA GLU A 17 -7.878 8.122 10.784 1.00 11.14 H new ATOM 0 HB2 GLU A 17 -8.090 10.307 9.613 1.00 21.41 H new ATOM 0 HB3 GLU A 17 -7.980 9.502 8.060 1.00 21.41 H new ATOM 0 HG2 GLU A 17 -10.131 8.455 8.337 1.00 32.11 H new ATOM 0 HG3 GLU A 17 -10.203 8.879 10.036 1.00 32.11 H new ATOM 268 N LEU A 18 -7.319 6.693 7.864 1.00 53.24 N ATOM 269 CA LEU A 18 -7.469 5.481 7.036 1.00 1.01 C ATOM 270 C LEU A 18 -6.780 4.260 7.677 1.00 11.23 C ATOM 271 O LEU A 18 -7.186 3.119 7.420 1.00 71.33 O ATOM 272 CB LEU A 18 -6.942 5.746 5.591 1.00 5.00 C ATOM 273 CG LEU A 18 -7.975 6.356 4.578 1.00 3.41 C ATOM 274 CD1 LEU A 18 -8.617 7.668 5.088 1.00 62.21 C ATOM 275 CD2 LEU A 18 -7.325 6.549 3.191 1.00 43.03 C ATOM 0 H LEU A 18 -6.728 7.402 7.430 1.00 53.24 H new ATOM 0 HA LEU A 18 -8.531 5.242 6.975 1.00 1.01 H new ATOM 0 HB2 LEU A 18 -6.087 6.419 5.656 1.00 5.00 H new ATOM 0 HB3 LEU A 18 -6.576 4.804 5.182 1.00 5.00 H new ATOM 0 HG LEU A 18 -8.790 5.638 4.484 1.00 3.41 H new ATOM 0 HD11 LEU A 18 -9.322 8.041 4.345 1.00 62.21 H new ATOM 0 HD12 LEU A 18 -9.144 7.476 6.023 1.00 62.21 H new ATOM 0 HD13 LEU A 18 -7.839 8.412 5.256 1.00 62.21 H new ATOM 0 HD21 LEU A 18 -8.056 6.973 2.502 1.00 43.03 H new ATOM 0 HD22 LEU A 18 -6.475 7.225 3.279 1.00 43.03 H new ATOM 0 HD23 LEU A 18 -6.985 5.586 2.811 1.00 43.03 H new ATOM 287 N LEU A 19 -5.721 4.514 8.486 1.00 0.12 N ATOM 288 CA LEU A 19 -5.043 3.473 9.288 1.00 21.22 C ATOM 289 C LEU A 19 -6.066 2.741 10.153 1.00 34.43 C ATOM 290 O LEU A 19 -6.201 1.521 10.081 1.00 33.44 O ATOM 291 CB LEU A 19 -3.955 4.096 10.200 1.00 30.15 C ATOM 292 CG LEU A 19 -3.129 3.089 11.067 1.00 73.55 C ATOM 293 CD1 LEU A 19 -2.083 2.340 10.224 1.00 34.01 C ATOM 294 CD2 LEU A 19 -2.495 3.783 12.286 1.00 4.40 C ATOM 0 H LEU A 19 -5.317 5.444 8.598 1.00 0.12 H new ATOM 0 HA LEU A 19 -4.566 2.772 8.603 1.00 21.22 H new ATOM 0 HB2 LEU A 19 -3.263 4.659 9.574 1.00 30.15 H new ATOM 0 HB3 LEU A 19 -4.435 4.812 10.868 1.00 30.15 H new ATOM 0 HG LEU A 19 -3.824 2.341 11.449 1.00 73.55 H new ATOM 0 HD11 LEU A 19 -1.529 1.650 10.860 1.00 34.01 H new ATOM 0 HD12 LEU A 19 -2.585 1.782 9.434 1.00 34.01 H new ATOM 0 HD13 LEU A 19 -1.393 3.057 9.780 1.00 34.01 H new ATOM 0 HD21 LEU A 19 -1.929 3.054 12.866 1.00 4.40 H new ATOM 0 HD22 LEU A 19 -1.827 4.575 11.947 1.00 4.40 H new ATOM 0 HD23 LEU A 19 -3.280 4.212 12.909 1.00 4.40 H new ATOM 306 N GLU A 20 -6.816 3.543 10.918 1.00 61.53 N ATOM 307 CA GLU A 20 -7.802 3.063 11.888 1.00 12.33 C ATOM 308 C GLU A 20 -8.958 2.341 11.187 1.00 55.43 C ATOM 309 O GLU A 20 -9.555 1.436 11.765 1.00 14.25 O ATOM 310 CB GLU A 20 -8.302 4.246 12.746 1.00 34.14 C ATOM 311 CG GLU A 20 -7.154 5.076 13.357 1.00 53.42 C ATOM 312 CD GLU A 20 -7.656 6.202 14.271 1.00 71.52 C ATOM 313 OE1 GLU A 20 -8.112 7.238 13.743 1.00 1.41 O ATOM 314 OE2 GLU A 20 -7.631 6.044 15.515 1.00 70.10 O ATOM 0 H GLU A 20 -6.752 4.560 10.878 1.00 61.53 H new ATOM 0 HA GLU A 20 -7.329 2.335 12.548 1.00 12.33 H new ATOM 0 HB2 GLU A 20 -8.925 4.896 12.131 1.00 34.14 H new ATOM 0 HB3 GLU A 20 -8.934 3.864 13.548 1.00 34.14 H new ATOM 0 HG2 GLU A 20 -6.498 4.417 13.926 1.00 53.42 H new ATOM 0 HG3 GLU A 20 -6.555 5.506 12.554 1.00 53.42 H new ATOM 321 N VAL A 21 -9.257 2.757 9.935 1.00 25.42 N ATOM 322 CA VAL A 21 -10.267 2.103 9.081 1.00 71.11 C ATOM 323 C VAL A 21 -9.866 0.640 8.776 1.00 72.02 C ATOM 324 O VAL A 21 -10.717 -0.259 8.825 1.00 70.35 O ATOM 325 CB VAL A 21 -10.523 2.909 7.748 1.00 33.03 C ATOM 326 CG1 VAL A 21 -11.551 2.198 6.826 1.00 10.25 C ATOM 327 CG2 VAL A 21 -10.980 4.354 8.072 1.00 61.42 C ATOM 0 H VAL A 21 -8.803 3.556 9.491 1.00 25.42 H new ATOM 0 HA VAL A 21 -11.205 2.093 9.636 1.00 71.11 H new ATOM 0 HB VAL A 21 -9.580 2.952 7.202 1.00 33.03 H new ATOM 0 HG11 VAL A 21 -11.697 2.788 5.921 1.00 10.25 H new ATOM 0 HG12 VAL A 21 -11.178 1.209 6.559 1.00 10.25 H new ATOM 0 HG13 VAL A 21 -12.501 2.097 7.350 1.00 10.25 H new ATOM 0 HG21 VAL A 21 -11.153 4.898 7.143 1.00 61.42 H new ATOM 0 HG22 VAL A 21 -11.903 4.323 8.651 1.00 61.42 H new ATOM 0 HG23 VAL A 21 -10.206 4.859 8.650 1.00 61.42 H new ATOM 337 N VAL A 22 -8.565 0.406 8.501 1.00 25.34 N ATOM 338 CA VAL A 22 -8.028 -0.954 8.276 1.00 72.24 C ATOM 339 C VAL A 22 -8.049 -1.760 9.590 1.00 71.14 C ATOM 340 O VAL A 22 -8.544 -2.892 9.616 1.00 44.20 O ATOM 341 CB VAL A 22 -6.562 -0.934 7.705 1.00 23.11 C ATOM 342 CG1 VAL A 22 -6.018 -2.373 7.511 1.00 0.13 C ATOM 343 CG2 VAL A 22 -6.495 -0.130 6.389 1.00 62.22 C ATOM 0 H VAL A 22 -7.865 1.144 8.429 1.00 25.34 H new ATOM 0 HA VAL A 22 -8.670 -1.428 7.534 1.00 72.24 H new ATOM 0 HB VAL A 22 -5.924 -0.436 8.435 1.00 23.11 H new ATOM 0 HG11 VAL A 22 -5.003 -2.328 7.115 1.00 0.13 H new ATOM 0 HG12 VAL A 22 -6.011 -2.892 8.470 1.00 0.13 H new ATOM 0 HG13 VAL A 22 -6.657 -2.912 6.811 1.00 0.13 H new ATOM 0 HG21 VAL A 22 -5.472 -0.131 6.014 1.00 62.22 H new ATOM 0 HG22 VAL A 22 -7.153 -0.587 5.650 1.00 62.22 H new ATOM 0 HG23 VAL A 22 -6.813 0.896 6.573 1.00 62.22 H new ATOM 353 N LEU A 23 -7.523 -1.136 10.676 1.00 15.22 N ATOM 354 CA LEU A 23 -7.433 -1.756 12.017 1.00 72.32 C ATOM 355 C LEU A 23 -8.800 -2.258 12.518 1.00 44.33 C ATOM 356 O LEU A 23 -8.908 -3.379 13.016 1.00 1.31 O ATOM 357 CB LEU A 23 -6.798 -0.760 13.049 1.00 4.11 C ATOM 358 CG LEU A 23 -5.236 -0.776 13.168 1.00 40.13 C ATOM 359 CD1 LEU A 23 -4.548 -0.448 11.835 1.00 31.15 C ATOM 360 CD2 LEU A 23 -4.762 0.167 14.293 1.00 12.54 C ATOM 0 H LEU A 23 -7.150 -0.187 10.642 1.00 15.22 H new ATOM 0 HA LEU A 23 -6.783 -2.626 11.925 1.00 72.32 H new ATOM 0 HB2 LEU A 23 -7.109 0.250 12.784 1.00 4.11 H new ATOM 0 HB3 LEU A 23 -7.217 -0.975 14.032 1.00 4.11 H new ATOM 0 HG LEU A 23 -4.942 -1.792 13.429 1.00 40.13 H new ATOM 0 HD11 LEU A 23 -3.466 -0.471 11.968 1.00 31.15 H new ATOM 0 HD12 LEU A 23 -4.837 -1.185 11.085 1.00 31.15 H new ATOM 0 HD13 LEU A 23 -4.851 0.545 11.504 1.00 31.15 H new ATOM 0 HD21 LEU A 23 -3.674 0.139 14.357 1.00 12.54 H new ATOM 0 HD22 LEU A 23 -5.087 1.185 14.076 1.00 12.54 H new ATOM 0 HD23 LEU A 23 -5.189 -0.156 15.242 1.00 12.54 H new ATOM 372 N LYS A 24 -9.841 -1.424 12.368 1.00 51.31 N ATOM 373 CA LYS A 24 -11.192 -1.735 12.884 1.00 74.33 C ATOM 374 C LYS A 24 -11.903 -2.766 11.983 1.00 64.01 C ATOM 375 O LYS A 24 -12.739 -3.536 12.464 1.00 33.23 O ATOM 376 CB LYS A 24 -12.046 -0.440 13.006 1.00 40.34 C ATOM 377 CG LYS A 24 -12.476 0.174 11.658 1.00 71.54 C ATOM 378 CD LYS A 24 -13.274 1.487 11.801 1.00 22.04 C ATOM 379 CE LYS A 24 -13.762 2.013 10.445 1.00 21.03 C ATOM 380 NZ LYS A 24 -14.568 3.238 10.597 1.00 52.33 N ATOM 0 H LYS A 24 -9.777 -0.524 11.892 1.00 51.31 H new ATOM 0 HA LYS A 24 -11.080 -2.170 13.877 1.00 74.33 H new ATOM 0 HB2 LYS A 24 -12.939 -0.663 13.590 1.00 40.34 H new ATOM 0 HB3 LYS A 24 -11.477 0.304 13.564 1.00 40.34 H new ATOM 0 HG2 LYS A 24 -11.588 0.363 11.055 1.00 71.54 H new ATOM 0 HG3 LYS A 24 -13.082 -0.552 11.115 1.00 71.54 H new ATOM 0 HD2 LYS A 24 -14.130 1.322 12.455 1.00 22.04 H new ATOM 0 HD3 LYS A 24 -12.649 2.241 12.279 1.00 22.04 H new ATOM 0 HE2 LYS A 24 -12.905 2.218 9.804 1.00 21.03 H new ATOM 0 HE3 LYS A 24 -14.356 1.245 9.948 1.00 21.03 H new ATOM 0 HZ1 LYS A 24 -14.881 3.566 9.661 1.00 52.33 H new ATOM 0 HZ2 LYS A 24 -15.399 3.036 11.189 1.00 52.33 H new ATOM 0 HZ3 LYS A 24 -13.993 3.978 11.048 1.00 52.33 H new ATOM 394 N SER A 25 -11.559 -2.768 10.676 1.00 13.52 N ATOM 395 CA SER A 25 -12.157 -3.688 9.690 1.00 71.10 C ATOM 396 C SER A 25 -11.657 -5.120 9.946 1.00 43.31 C ATOM 397 O SER A 25 -12.460 -6.062 10.035 1.00 55.54 O ATOM 398 CB SER A 25 -11.820 -3.223 8.250 1.00 2.34 C ATOM 399 OG SER A 25 -12.460 -4.028 7.270 1.00 40.43 O ATOM 0 H SER A 25 -10.864 -2.136 10.280 1.00 13.52 H new ATOM 0 HA SER A 25 -13.242 -3.680 9.798 1.00 71.10 H new ATOM 0 HB2 SER A 25 -12.126 -2.185 8.123 1.00 2.34 H new ATOM 0 HB3 SER A 25 -10.741 -3.258 8.100 1.00 2.34 H new ATOM 0 HG SER A 25 -11.998 -3.927 6.412 1.00 40.43 H new ATOM 405 N ASP A 26 -10.326 -5.257 10.084 1.00 24.40 N ATOM 406 CA ASP A 26 -9.670 -6.516 10.463 1.00 1.44 C ATOM 407 C ASP A 26 -8.245 -6.215 10.983 1.00 11.52 C ATOM 408 O ASP A 26 -7.373 -5.834 10.192 1.00 14.54 O ATOM 409 CB ASP A 26 -9.626 -7.530 9.285 1.00 2.22 C ATOM 410 CG ASP A 26 -9.064 -8.905 9.709 1.00 33.54 C ATOM 411 OD1 ASP A 26 -9.626 -9.523 10.641 1.00 15.01 O ATOM 412 OD2 ASP A 26 -8.089 -9.385 9.105 1.00 71.21 O ATOM 0 H ASP A 26 -9.672 -4.489 9.934 1.00 24.40 H new ATOM 0 HA ASP A 26 -10.257 -6.982 11.255 1.00 1.44 H new ATOM 0 HB2 ASP A 26 -10.631 -7.660 8.884 1.00 2.22 H new ATOM 0 HB3 ASP A 26 -9.012 -7.122 8.482 1.00 2.22 H new ATOM 417 N PRO A 27 -7.996 -6.348 12.331 1.00 42.24 N ATOM 418 CA PRO A 27 -6.661 -6.101 12.933 1.00 63.53 C ATOM 419 C PRO A 27 -5.609 -7.157 12.527 1.00 45.00 C ATOM 420 O PRO A 27 -4.404 -6.908 12.666 1.00 14.30 O ATOM 421 CB PRO A 27 -6.924 -6.134 14.468 1.00 34.42 C ATOM 422 CG PRO A 27 -8.417 -6.094 14.629 1.00 25.13 C ATOM 423 CD PRO A 27 -8.985 -6.723 13.377 1.00 22.40 C ATOM 0 HA PRO A 27 -6.241 -5.156 12.589 1.00 63.53 H new ATOM 0 HB2 PRO A 27 -6.506 -7.035 14.917 1.00 34.42 H new ATOM 0 HB3 PRO A 27 -6.454 -5.284 14.963 1.00 34.42 H new ATOM 0 HG2 PRO A 27 -8.729 -6.642 15.518 1.00 25.13 H new ATOM 0 HG3 PRO A 27 -8.770 -5.069 14.746 1.00 25.13 H new ATOM 0 HD2 PRO A 27 -9.077 -7.805 13.476 1.00 22.40 H new ATOM 0 HD3 PRO A 27 -9.979 -6.338 13.148 1.00 22.40 H new ATOM 431 N ASN A 28 -6.075 -8.349 12.069 1.00 41.20 N ATOM 432 CA ASN A 28 -5.178 -9.444 11.618 1.00 23.14 C ATOM 433 C ASN A 28 -4.328 -8.975 10.428 1.00 0.45 C ATOM 434 O ASN A 28 -3.125 -9.275 10.354 1.00 61.02 O ATOM 435 CB ASN A 28 -5.986 -10.710 11.226 1.00 72.11 C ATOM 436 CG ASN A 28 -6.762 -11.343 12.384 1.00 64.41 C ATOM 437 OD1 ASN A 28 -6.317 -11.340 13.536 1.00 41.34 O ATOM 438 ND2 ASN A 28 -7.936 -11.883 12.093 1.00 61.35 N ATOM 0 H ASN A 28 -7.067 -8.575 12.003 1.00 41.20 H new ATOM 0 HA ASN A 28 -4.523 -9.704 12.449 1.00 23.14 H new ATOM 0 HB2 ASN A 28 -6.687 -10.449 10.433 1.00 72.11 H new ATOM 0 HB3 ASN A 28 -5.301 -11.451 10.814 1.00 72.11 H new ATOM 0 HD21 ASN A 28 -8.497 -12.311 12.830 1.00 61.35 H new ATOM 0 HD22 ASN A 28 -8.279 -11.871 11.132 1.00 61.35 H new ATOM 445 N VAL A 29 -4.977 -8.237 9.502 1.00 73.52 N ATOM 446 CA VAL A 29 -4.291 -7.550 8.395 1.00 15.42 C ATOM 447 C VAL A 29 -3.287 -6.528 8.975 1.00 10.22 C ATOM 448 O VAL A 29 -3.688 -5.594 9.683 1.00 12.44 O ATOM 449 CB VAL A 29 -5.317 -6.823 7.443 1.00 61.30 C ATOM 450 CG1 VAL A 29 -4.600 -6.020 6.335 1.00 53.31 C ATOM 451 CG2 VAL A 29 -6.316 -7.828 6.824 1.00 4.53 C ATOM 0 H VAL A 29 -5.988 -8.103 9.504 1.00 73.52 H new ATOM 0 HA VAL A 29 -3.761 -8.294 7.801 1.00 15.42 H new ATOM 0 HB VAL A 29 -5.877 -6.117 8.057 1.00 61.30 H new ATOM 0 HG11 VAL A 29 -5.341 -5.534 5.700 1.00 53.31 H new ATOM 0 HG12 VAL A 29 -3.960 -5.264 6.790 1.00 53.31 H new ATOM 0 HG13 VAL A 29 -3.992 -6.695 5.732 1.00 53.31 H new ATOM 0 HG21 VAL A 29 -7.010 -7.297 6.173 1.00 4.53 H new ATOM 0 HG22 VAL A 29 -5.771 -8.572 6.243 1.00 4.53 H new ATOM 0 HG23 VAL A 29 -6.872 -8.325 7.619 1.00 4.53 H new ATOM 461 N LYS A 30 -1.990 -6.741 8.688 1.00 52.53 N ATOM 462 CA LYS A 30 -0.896 -5.923 9.243 1.00 41.03 C ATOM 463 C LYS A 30 -0.874 -4.527 8.608 1.00 40.50 C ATOM 464 O LYS A 30 -1.274 -4.356 7.453 1.00 24.01 O ATOM 465 CB LYS A 30 0.467 -6.626 9.037 1.00 62.33 C ATOM 466 CG LYS A 30 0.602 -7.953 9.809 1.00 11.35 C ATOM 467 CD LYS A 30 1.997 -8.601 9.647 1.00 2.11 C ATOM 468 CE LYS A 30 2.177 -9.834 10.550 1.00 22.51 C ATOM 469 NZ LYS A 30 2.051 -9.493 11.995 1.00 22.32 N ATOM 0 H LYS A 30 -1.671 -7.484 8.066 1.00 52.53 H new ATOM 0 HA LYS A 30 -1.073 -5.808 10.312 1.00 41.03 H new ATOM 0 HB2 LYS A 30 0.610 -6.818 7.974 1.00 62.33 H new ATOM 0 HB3 LYS A 30 1.265 -5.952 9.349 1.00 62.33 H new ATOM 0 HG2 LYS A 30 0.410 -7.774 10.867 1.00 11.35 H new ATOM 0 HG3 LYS A 30 -0.160 -8.650 9.461 1.00 11.35 H new ATOM 0 HD2 LYS A 30 2.142 -8.891 8.606 1.00 2.11 H new ATOM 0 HD3 LYS A 30 2.766 -7.866 9.883 1.00 2.11 H new ATOM 0 HE2 LYS A 30 1.432 -10.586 10.289 1.00 22.51 H new ATOM 0 HE3 LYS A 30 3.156 -10.278 10.367 1.00 22.51 H new ATOM 0 HZ1 LYS A 30 2.408 -10.283 12.570 1.00 22.32 H new ATOM 0 HZ2 LYS A 30 2.606 -8.637 12.199 1.00 22.32 H new ATOM 0 HZ3 LYS A 30 1.052 -9.321 12.225 1.00 22.32 H new ATOM 483 N THR A 31 -0.402 -3.542 9.387 1.00 40.50 N ATOM 484 CA THR A 31 -0.289 -2.136 8.972 1.00 70.10 C ATOM 485 C THR A 31 1.048 -1.570 9.466 1.00 74.21 C ATOM 486 O THR A 31 1.329 -1.579 10.671 1.00 31.34 O ATOM 487 CB THR A 31 -1.462 -1.265 9.536 1.00 65.43 C ATOM 488 OG1 THR A 31 -1.579 -1.457 10.959 1.00 43.51 O ATOM 489 CG2 THR A 31 -2.802 -1.599 8.867 1.00 25.41 C ATOM 0 H THR A 31 -0.082 -3.704 10.342 1.00 40.50 H new ATOM 0 HA THR A 31 -0.341 -2.101 7.884 1.00 70.10 H new ATOM 0 HB THR A 31 -1.226 -0.224 9.316 1.00 65.43 H new ATOM 0 HG1 THR A 31 -0.690 -1.611 11.342 1.00 43.51 H new ATOM 0 HG21 THR A 31 -3.586 -0.971 9.289 1.00 25.41 H new ATOM 0 HG22 THR A 31 -2.729 -1.416 7.795 1.00 25.41 H new ATOM 0 HG23 THR A 31 -3.044 -2.647 9.041 1.00 25.41 H new ATOM 497 N VAL A 32 1.882 -1.100 8.520 1.00 43.32 N ATOM 498 CA VAL A 32 3.206 -0.538 8.814 1.00 51.24 C ATOM 499 C VAL A 32 3.270 0.888 8.242 1.00 41.13 C ATOM 500 O VAL A 32 3.201 1.070 7.024 1.00 42.20 O ATOM 501 CB VAL A 32 4.353 -1.427 8.193 1.00 54.34 C ATOM 502 CG1 VAL A 32 5.753 -0.894 8.582 1.00 52.41 C ATOM 503 CG2 VAL A 32 4.184 -2.911 8.595 1.00 0.30 C ATOM 0 H VAL A 32 1.652 -1.101 7.526 1.00 43.32 H new ATOM 0 HA VAL A 32 3.355 -0.517 9.894 1.00 51.24 H new ATOM 0 HB VAL A 32 4.271 -1.365 7.108 1.00 54.34 H new ATOM 0 HG11 VAL A 32 6.520 -1.529 8.138 1.00 52.41 H new ATOM 0 HG12 VAL A 32 5.869 0.126 8.215 1.00 52.41 H new ATOM 0 HG13 VAL A 32 5.857 -0.903 9.667 1.00 52.41 H new ATOM 0 HG21 VAL A 32 4.987 -3.501 8.154 1.00 0.30 H new ATOM 0 HG22 VAL A 32 4.222 -3.000 9.681 1.00 0.30 H new ATOM 0 HG23 VAL A 32 3.223 -3.279 8.234 1.00 0.30 H new ATOM 513 N ARG A 33 3.369 1.890 9.129 1.00 15.45 N ATOM 514 CA ARG A 33 3.477 3.307 8.748 1.00 4.34 C ATOM 515 C ARG A 33 4.910 3.778 9.056 1.00 45.51 C ATOM 516 O ARG A 33 5.239 4.081 10.213 1.00 0.12 O ATOM 517 CB ARG A 33 2.420 4.164 9.512 1.00 31.41 C ATOM 518 CG ARG A 33 2.480 5.679 9.190 1.00 14.44 C ATOM 519 CD ARG A 33 1.466 6.527 9.986 1.00 63.41 C ATOM 520 NE ARG A 33 1.771 7.968 9.863 1.00 14.24 N ATOM 521 CZ ARG A 33 1.485 8.912 10.776 1.00 30.21 C ATOM 522 NH1 ARG A 33 0.860 8.607 11.906 1.00 4.42 N ATOM 523 NH2 ARG A 33 1.871 10.158 10.570 1.00 75.45 N ATOM 0 H ARG A 33 3.376 1.739 10.138 1.00 15.45 H new ATOM 0 HA ARG A 33 3.275 3.428 7.684 1.00 4.34 H new ATOM 0 HB2 ARG A 33 1.424 3.792 9.272 1.00 31.41 H new ATOM 0 HB3 ARG A 33 2.562 4.026 10.584 1.00 31.41 H new ATOM 0 HG2 ARG A 33 3.486 6.045 9.396 1.00 14.44 H new ATOM 0 HG3 ARG A 33 2.301 5.822 8.124 1.00 14.44 H new ATOM 0 HD2 ARG A 33 0.458 6.332 9.621 1.00 63.41 H new ATOM 0 HD3 ARG A 33 1.487 6.235 11.036 1.00 63.41 H new ATOM 0 HE ARG A 33 2.240 8.273 9.010 1.00 14.24 H new ATOM 0 HH11 ARG A 33 0.588 7.642 12.094 1.00 4.42 H new ATOM 0 HH12 ARG A 33 0.652 9.337 12.587 1.00 4.42 H new ATOM 0 HH21 ARG A 33 2.383 10.400 9.722 1.00 75.45 H new ATOM 0 HH22 ARG A 33 1.657 10.879 11.259 1.00 75.45 H new ATOM 537 N THR A 34 5.762 3.766 8.016 1.00 52.42 N ATOM 538 CA THR A 34 7.179 4.153 8.113 1.00 23.11 C ATOM 539 C THR A 34 7.750 4.430 6.714 1.00 25.03 C ATOM 540 O THR A 34 7.215 3.947 5.713 1.00 5.21 O ATOM 541 CB THR A 34 8.043 3.037 8.808 1.00 74.33 C ATOM 542 OG1 THR A 34 9.363 3.526 9.086 1.00 55.13 O ATOM 543 CG2 THR A 34 8.148 1.766 7.940 1.00 44.54 C ATOM 0 H THR A 34 5.483 3.485 7.076 1.00 52.42 H new ATOM 0 HA THR A 34 7.227 5.055 8.722 1.00 23.11 H new ATOM 0 HB THR A 34 7.539 2.777 9.739 1.00 74.33 H new ATOM 0 HG1 THR A 34 9.888 2.821 9.520 1.00 55.13 H new ATOM 0 HG21 THR A 34 8.753 1.021 8.457 1.00 44.54 H new ATOM 0 HG22 THR A 34 7.151 1.364 7.762 1.00 44.54 H new ATOM 0 HG23 THR A 34 8.615 2.014 6.987 1.00 44.54 H new ATOM 551 N ASP A 35 8.854 5.193 6.666 1.00 74.23 N ATOM 552 CA ASP A 35 9.624 5.429 5.433 1.00 35.43 C ATOM 553 C ASP A 35 10.542 4.222 5.123 1.00 4.44 C ATOM 554 O ASP A 35 10.801 3.924 3.947 1.00 31.20 O ATOM 555 CB ASP A 35 10.467 6.736 5.564 1.00 4.21 C ATOM 556 CG ASP A 35 11.433 6.961 4.375 1.00 21.33 C ATOM 557 OD1 ASP A 35 10.968 7.004 3.220 1.00 75.32 O ATOM 558 OD2 ASP A 35 12.668 7.069 4.589 1.00 12.11 O ATOM 0 H ASP A 35 9.239 5.665 7.484 1.00 74.23 H new ATOM 0 HA ASP A 35 8.924 5.547 4.606 1.00 35.43 H new ATOM 0 HB2 ASP A 35 9.793 7.589 5.642 1.00 4.21 H new ATOM 0 HB3 ASP A 35 11.042 6.698 6.489 1.00 4.21 H new ATOM 563 N ASP A 36 10.963 3.491 6.187 1.00 34.10 N ATOM 564 CA ASP A 36 12.096 2.553 6.123 1.00 71.50 C ATOM 565 C ASP A 36 11.765 1.373 5.193 1.00 41.10 C ATOM 566 O ASP A 36 10.862 0.580 5.474 1.00 53.14 O ATOM 567 CB ASP A 36 12.481 2.063 7.553 1.00 3.15 C ATOM 568 CG ASP A 36 13.742 1.177 7.591 1.00 44.22 C ATOM 569 OD1 ASP A 36 14.716 1.480 6.869 1.00 3.12 O ATOM 570 OD2 ASP A 36 13.769 0.177 8.347 1.00 14.24 O ATOM 0 H ASP A 36 10.524 3.540 7.106 1.00 34.10 H new ATOM 0 HA ASP A 36 12.959 3.072 5.707 1.00 71.50 H new ATOM 0 HB2 ASP A 36 12.639 2.931 8.193 1.00 3.15 H new ATOM 0 HB3 ASP A 36 11.644 1.505 7.973 1.00 3.15 H new ATOM 575 N LYS A 37 12.493 1.301 4.064 1.00 62.04 N ATOM 576 CA LYS A 37 12.201 0.352 2.982 1.00 24.00 C ATOM 577 C LYS A 37 12.525 -1.088 3.390 1.00 42.35 C ATOM 578 O LYS A 37 11.799 -2.010 3.011 1.00 15.30 O ATOM 579 CB LYS A 37 12.959 0.739 1.690 1.00 32.23 C ATOM 580 CG LYS A 37 14.495 0.691 1.775 1.00 22.24 C ATOM 581 CD LYS A 37 15.179 1.145 0.469 1.00 11.13 C ATOM 582 CE LYS A 37 15.016 2.646 0.193 1.00 4.41 C ATOM 583 NZ LYS A 37 15.471 3.505 1.317 1.00 52.54 N ATOM 0 H LYS A 37 13.298 1.899 3.879 1.00 62.04 H new ATOM 0 HA LYS A 37 11.131 0.404 2.782 1.00 24.00 H new ATOM 0 HB2 LYS A 37 12.637 0.073 0.889 1.00 32.23 H new ATOM 0 HB3 LYS A 37 12.661 1.748 1.405 1.00 32.23 H new ATOM 0 HG2 LYS A 37 14.829 1.327 2.595 1.00 22.24 H new ATOM 0 HG3 LYS A 37 14.810 -0.326 2.011 1.00 22.24 H new ATOM 0 HD2 LYS A 37 16.241 0.904 0.520 1.00 11.13 H new ATOM 0 HD3 LYS A 37 14.764 0.581 -0.366 1.00 11.13 H new ATOM 0 HE2 LYS A 37 15.578 2.906 -0.704 1.00 4.41 H new ATOM 0 HE3 LYS A 37 13.967 2.858 -0.015 1.00 4.41 H new ATOM 0 HZ1 LYS A 37 15.543 4.491 0.993 1.00 52.54 H new ATOM 0 HZ2 LYS A 37 14.787 3.446 2.098 1.00 52.54 H new ATOM 0 HZ3 LYS A 37 16.402 3.180 1.647 1.00 52.54 H new ATOM 597 N GLU A 38 13.609 -1.271 4.180 1.00 43.31 N ATOM 598 CA GLU A 38 14.018 -2.601 4.653 1.00 24.10 C ATOM 599 C GLU A 38 13.020 -3.125 5.698 1.00 33.25 C ATOM 600 O GLU A 38 12.830 -4.333 5.799 1.00 22.04 O ATOM 601 CB GLU A 38 15.473 -2.594 5.199 1.00 25.33 C ATOM 602 CG GLU A 38 15.715 -1.684 6.415 1.00 34.11 C ATOM 603 CD GLU A 38 17.150 -1.757 6.964 1.00 44.42 C ATOM 604 OE1 GLU A 38 18.031 -1.028 6.461 1.00 73.31 O ATOM 605 OE2 GLU A 38 17.405 -2.549 7.898 1.00 4.13 O ATOM 0 H GLU A 38 14.211 -0.512 4.499 1.00 43.31 H new ATOM 0 HA GLU A 38 14.008 -3.283 3.803 1.00 24.10 H new ATOM 0 HB2 GLU A 38 15.747 -3.614 5.469 1.00 25.33 H new ATOM 0 HB3 GLU A 38 16.143 -2.286 4.396 1.00 25.33 H new ATOM 0 HG2 GLU A 38 15.494 -0.654 6.137 1.00 34.11 H new ATOM 0 HG3 GLU A 38 15.018 -1.957 7.207 1.00 34.11 H new ATOM 612 N LYS A 39 12.372 -2.191 6.445 1.00 72.14 N ATOM 613 CA LYS A 39 11.250 -2.510 7.349 1.00 71.23 C ATOM 614 C LYS A 39 10.083 -3.113 6.559 1.00 41.41 C ATOM 615 O LYS A 39 9.572 -4.173 6.920 1.00 23.33 O ATOM 616 CB LYS A 39 10.767 -1.238 8.100 1.00 64.21 C ATOM 617 CG LYS A 39 9.544 -1.432 9.052 1.00 53.14 C ATOM 618 CD LYS A 39 9.895 -1.555 10.556 1.00 52.10 C ATOM 619 CE LYS A 39 10.654 -2.854 10.931 1.00 55.21 C ATOM 620 NZ LYS A 39 12.122 -2.753 10.690 1.00 1.31 N ATOM 0 H LYS A 39 12.617 -1.201 6.433 1.00 72.14 H new ATOM 0 HA LYS A 39 11.604 -3.237 8.080 1.00 71.23 H new ATOM 0 HB2 LYS A 39 11.600 -0.846 8.685 1.00 64.21 H new ATOM 0 HB3 LYS A 39 10.511 -0.478 7.361 1.00 64.21 H new ATOM 0 HG2 LYS A 39 8.864 -0.590 8.921 1.00 53.14 H new ATOM 0 HG3 LYS A 39 9.004 -2.328 8.746 1.00 53.14 H new ATOM 0 HD2 LYS A 39 10.501 -0.697 10.847 1.00 52.10 H new ATOM 0 HD3 LYS A 39 8.974 -1.506 11.137 1.00 52.10 H new ATOM 0 HE2 LYS A 39 10.477 -3.082 11.982 1.00 55.21 H new ATOM 0 HE3 LYS A 39 10.251 -3.685 10.352 1.00 55.21 H new ATOM 0 HZ1 LYS A 39 12.407 -3.458 9.981 1.00 1.31 H new ATOM 0 HZ2 LYS A 39 12.352 -1.800 10.343 1.00 1.31 H new ATOM 0 HZ3 LYS A 39 12.633 -2.930 11.578 1.00 1.31 H new ATOM 634 N VAL A 40 9.689 -2.421 5.467 1.00 44.23 N ATOM 635 CA VAL A 40 8.609 -2.883 4.569 1.00 73.12 C ATOM 636 C VAL A 40 8.931 -4.284 3.992 1.00 13.14 C ATOM 637 O VAL A 40 8.062 -5.153 3.972 1.00 42.04 O ATOM 638 CB VAL A 40 8.354 -1.861 3.397 1.00 72.54 C ATOM 639 CG1 VAL A 40 7.231 -2.343 2.444 1.00 21.10 C ATOM 640 CG2 VAL A 40 8.045 -0.444 3.954 1.00 24.03 C ATOM 0 H VAL A 40 10.107 -1.534 5.186 1.00 44.23 H new ATOM 0 HA VAL A 40 7.699 -2.949 5.165 1.00 73.12 H new ATOM 0 HB VAL A 40 9.271 -1.804 2.810 1.00 72.54 H new ATOM 0 HG11 VAL A 40 7.087 -1.610 1.651 1.00 21.10 H new ATOM 0 HG12 VAL A 40 7.512 -3.301 2.006 1.00 21.10 H new ATOM 0 HG13 VAL A 40 6.303 -2.458 3.004 1.00 21.10 H new ATOM 0 HG21 VAL A 40 7.873 0.243 3.125 1.00 24.03 H new ATOM 0 HG22 VAL A 40 7.155 -0.486 4.582 1.00 24.03 H new ATOM 0 HG23 VAL A 40 8.890 -0.094 4.546 1.00 24.03 H new ATOM 650 N LYS A 41 10.207 -4.491 3.583 1.00 25.41 N ATOM 651 CA LYS A 41 10.686 -5.773 3.004 1.00 73.55 C ATOM 652 C LYS A 41 10.599 -6.927 4.016 1.00 22.33 C ATOM 653 O LYS A 41 10.254 -8.059 3.643 1.00 60.42 O ATOM 654 CB LYS A 41 12.142 -5.643 2.501 1.00 61.12 C ATOM 655 CG LYS A 41 12.318 -4.680 1.317 1.00 51.32 C ATOM 656 CD LYS A 41 13.795 -4.539 0.913 1.00 42.40 C ATOM 657 CE LYS A 41 14.002 -3.568 -0.248 1.00 43.33 C ATOM 658 NZ LYS A 41 15.430 -3.501 -0.651 1.00 53.04 N ATOM 0 H LYS A 41 10.932 -3.776 3.645 1.00 25.41 H new ATOM 0 HA LYS A 41 10.031 -6.001 2.163 1.00 73.55 H new ATOM 0 HB2 LYS A 41 12.770 -5.305 3.325 1.00 61.12 H new ATOM 0 HB3 LYS A 41 12.503 -6.629 2.209 1.00 61.12 H new ATOM 0 HG2 LYS A 41 11.741 -5.041 0.466 1.00 51.32 H new ATOM 0 HG3 LYS A 41 11.918 -3.701 1.582 1.00 51.32 H new ATOM 0 HD2 LYS A 41 14.371 -4.198 1.773 1.00 42.40 H new ATOM 0 HD3 LYS A 41 14.186 -5.518 0.636 1.00 42.40 H new ATOM 0 HE2 LYS A 41 13.397 -3.881 -1.099 1.00 43.33 H new ATOM 0 HE3 LYS A 41 13.657 -2.575 0.040 1.00 43.33 H new ATOM 0 HZ1 LYS A 41 15.537 -2.833 -1.441 1.00 53.04 H new ATOM 0 HZ2 LYS A 41 16.003 -3.179 0.155 1.00 53.04 H new ATOM 0 HZ3 LYS A 41 15.751 -4.444 -0.949 1.00 53.04 H new ATOM 672 N GLU A 42 10.940 -6.622 5.292 1.00 44.34 N ATOM 673 CA GLU A 42 10.794 -7.573 6.409 1.00 41.43 C ATOM 674 C GLU A 42 9.337 -8.008 6.501 1.00 51.21 C ATOM 675 O GLU A 42 9.037 -9.186 6.418 1.00 41.21 O ATOM 676 CB GLU A 42 11.262 -6.947 7.758 1.00 65.12 C ATOM 677 CG GLU A 42 12.780 -6.717 7.854 1.00 13.15 C ATOM 678 CD GLU A 42 13.192 -5.896 9.088 1.00 73.33 C ATOM 679 OE1 GLU A 42 13.425 -6.487 10.163 1.00 1.53 O ATOM 680 OE2 GLU A 42 13.279 -4.654 8.989 1.00 65.55 O ATOM 0 H GLU A 42 11.320 -5.717 5.569 1.00 44.34 H new ATOM 0 HA GLU A 42 11.428 -8.439 6.218 1.00 41.43 H new ATOM 0 HB2 GLU A 42 10.752 -5.994 7.900 1.00 65.12 H new ATOM 0 HB3 GLU A 42 10.952 -7.599 8.575 1.00 65.12 H new ATOM 0 HG2 GLU A 42 13.286 -7.682 7.882 1.00 13.15 H new ATOM 0 HG3 GLU A 42 13.121 -6.205 6.954 1.00 13.15 H new ATOM 687 N GLU A 43 8.442 -7.020 6.569 1.00 73.20 N ATOM 688 CA GLU A 43 7.014 -7.238 6.806 1.00 51.53 C ATOM 689 C GLU A 43 6.292 -7.906 5.610 1.00 10.42 C ATOM 690 O GLU A 43 5.244 -8.529 5.808 1.00 11.14 O ATOM 691 CB GLU A 43 6.358 -5.914 7.250 1.00 53.32 C ATOM 692 CG GLU A 43 7.016 -5.284 8.497 1.00 22.44 C ATOM 693 CD GLU A 43 7.203 -6.279 9.661 1.00 34.41 C ATOM 694 OE1 GLU A 43 6.186 -6.730 10.241 1.00 34.23 O ATOM 695 OE2 GLU A 43 8.358 -6.623 9.993 1.00 54.05 O ATOM 0 H GLU A 43 8.691 -6.037 6.460 1.00 73.20 H new ATOM 0 HA GLU A 43 6.909 -7.959 7.616 1.00 51.53 H new ATOM 0 HB2 GLU A 43 6.404 -5.202 6.426 1.00 53.32 H new ATOM 0 HB3 GLU A 43 5.303 -6.093 7.458 1.00 53.32 H new ATOM 0 HG2 GLU A 43 7.987 -4.876 8.219 1.00 22.44 H new ATOM 0 HG3 GLU A 43 6.405 -4.448 8.838 1.00 22.44 H new ATOM 702 N ILE A 44 6.841 -7.748 4.378 1.00 34.31 N ATOM 703 CA ILE A 44 6.386 -8.497 3.171 1.00 21.11 C ATOM 704 C ILE A 44 6.467 -10.034 3.424 1.00 23.33 C ATOM 705 O ILE A 44 5.593 -10.802 2.984 1.00 73.11 O ATOM 706 CB ILE A 44 7.225 -8.088 1.889 1.00 24.22 C ATOM 707 CG1 ILE A 44 6.870 -6.636 1.428 1.00 62.41 C ATOM 708 CG2 ILE A 44 7.047 -9.088 0.712 1.00 12.34 C ATOM 709 CD1 ILE A 44 7.682 -6.135 0.246 1.00 65.24 C ATOM 0 H ILE A 44 7.608 -7.102 4.191 1.00 34.31 H new ATOM 0 HA ILE A 44 5.346 -8.233 2.980 1.00 21.11 H new ATOM 0 HB ILE A 44 8.274 -8.121 2.182 1.00 24.22 H new ATOM 0 HG12 ILE A 44 5.812 -6.599 1.168 1.00 62.41 H new ATOM 0 HG13 ILE A 44 7.016 -5.956 2.267 1.00 62.41 H new ATOM 0 HG21 ILE A 44 7.644 -8.759 -0.139 1.00 12.34 H new ATOM 0 HG22 ILE A 44 7.376 -10.079 1.024 1.00 12.34 H new ATOM 0 HG23 ILE A 44 5.996 -9.128 0.424 1.00 12.34 H new ATOM 0 HD11 ILE A 44 7.370 -5.121 -0.006 1.00 65.24 H new ATOM 0 HD12 ILE A 44 8.741 -6.135 0.506 1.00 65.24 H new ATOM 0 HD13 ILE A 44 7.518 -6.788 -0.611 1.00 65.24 H new ATOM 721 N GLU A 45 7.520 -10.455 4.176 1.00 73.24 N ATOM 722 CA GLU A 45 7.684 -11.851 4.636 1.00 43.33 C ATOM 723 C GLU A 45 6.511 -12.251 5.532 1.00 5.42 C ATOM 724 O GLU A 45 5.871 -13.268 5.289 1.00 2.40 O ATOM 725 CB GLU A 45 9.021 -12.050 5.394 1.00 20.10 C ATOM 726 CG GLU A 45 9.166 -13.428 6.071 1.00 22.51 C ATOM 727 CD GLU A 45 10.506 -13.610 6.784 1.00 61.13 C ATOM 728 OE1 GLU A 45 11.540 -13.710 6.091 1.00 13.44 O ATOM 729 OE2 GLU A 45 10.536 -13.647 8.035 1.00 50.14 O ATOM 0 H GLU A 45 8.272 -9.835 4.476 1.00 73.24 H new ATOM 0 HA GLU A 45 7.702 -12.491 3.754 1.00 43.33 H new ATOM 0 HB2 GLU A 45 9.846 -11.913 4.695 1.00 20.10 H new ATOM 0 HB3 GLU A 45 9.114 -11.273 6.153 1.00 20.10 H new ATOM 0 HG2 GLU A 45 8.358 -13.559 6.791 1.00 22.51 H new ATOM 0 HG3 GLU A 45 9.053 -14.209 5.319 1.00 22.51 H new ATOM 736 N LYS A 46 6.224 -11.405 6.528 1.00 11.13 N ATOM 737 CA LYS A 46 5.185 -11.670 7.538 1.00 45.03 C ATOM 738 C LYS A 46 3.774 -11.712 6.911 1.00 42.31 C ATOM 739 O LYS A 46 2.888 -12.419 7.404 1.00 54.04 O ATOM 740 CB LYS A 46 5.257 -10.641 8.701 1.00 40.12 C ATOM 741 CG LYS A 46 6.520 -10.774 9.608 1.00 33.45 C ATOM 742 CD LYS A 46 7.788 -10.171 8.974 1.00 3.34 C ATOM 743 CE LYS A 46 9.022 -10.194 9.881 1.00 51.13 C ATOM 744 NZ LYS A 46 8.831 -9.373 11.100 1.00 62.05 N ATOM 0 H LYS A 46 6.705 -10.515 6.659 1.00 11.13 H new ATOM 0 HA LYS A 46 5.381 -12.658 7.955 1.00 45.03 H new ATOM 0 HB2 LYS A 46 5.231 -9.635 8.281 1.00 40.12 H new ATOM 0 HB3 LYS A 46 4.367 -10.750 9.321 1.00 40.12 H new ATOM 0 HG2 LYS A 46 6.328 -10.281 10.561 1.00 33.45 H new ATOM 0 HG3 LYS A 46 6.695 -11.828 9.824 1.00 33.45 H new ATOM 0 HD2 LYS A 46 8.016 -10.716 8.058 1.00 3.34 H new ATOM 0 HD3 LYS A 46 7.581 -9.140 8.688 1.00 3.34 H new ATOM 0 HE2 LYS A 46 9.242 -11.222 10.167 1.00 51.13 H new ATOM 0 HE3 LYS A 46 9.886 -9.825 9.327 1.00 51.13 H new ATOM 0 HZ1 LYS A 46 9.722 -9.333 11.635 1.00 62.05 H new ATOM 0 HZ2 LYS A 46 8.546 -8.410 10.829 1.00 62.05 H new ATOM 0 HZ3 LYS A 46 8.090 -9.799 11.693 1.00 62.05 H new ATOM 758 N ALA A 47 3.591 -10.936 5.822 1.00 63.23 N ATOM 759 CA ALA A 47 2.340 -10.897 5.043 1.00 15.42 C ATOM 760 C ALA A 47 2.029 -12.273 4.424 1.00 42.43 C ATOM 761 O ALA A 47 0.954 -12.823 4.644 1.00 23.41 O ATOM 762 CB ALA A 47 2.439 -9.832 3.941 1.00 31.13 C ATOM 0 H ALA A 47 4.314 -10.315 5.458 1.00 63.23 H new ATOM 0 HA ALA A 47 1.526 -10.638 5.720 1.00 15.42 H new ATOM 0 HB1 ALA A 47 1.510 -9.811 3.371 1.00 31.13 H new ATOM 0 HB2 ALA A 47 2.610 -8.855 4.393 1.00 31.13 H new ATOM 0 HB3 ALA A 47 3.268 -10.073 3.275 1.00 31.13 H new ATOM 768 N ARG A 48 3.010 -12.829 3.681 1.00 24.11 N ATOM 769 CA ARG A 48 2.866 -14.142 3.004 1.00 51.31 C ATOM 770 C ARG A 48 2.942 -15.304 4.011 1.00 74.21 C ATOM 771 O ARG A 48 2.374 -16.379 3.780 1.00 62.10 O ATOM 772 CB ARG A 48 3.942 -14.313 1.902 1.00 43.51 C ATOM 773 CG ARG A 48 5.397 -14.457 2.401 1.00 34.02 C ATOM 774 CD ARG A 48 6.408 -14.588 1.257 1.00 62.13 C ATOM 775 NE ARG A 48 6.040 -15.663 0.313 1.00 41.30 N ATOM 776 CZ ARG A 48 6.777 -16.062 -0.726 1.00 62.13 C ATOM 777 NH1 ARG A 48 7.942 -15.490 -0.992 1.00 64.24 N ATOM 778 NH2 ARG A 48 6.310 -17.002 -1.538 1.00 64.23 N ATOM 0 H ARG A 48 3.917 -12.387 3.532 1.00 24.11 H new ATOM 0 HA ARG A 48 1.882 -14.165 2.537 1.00 51.31 H new ATOM 0 HB2 ARG A 48 3.692 -15.193 1.310 1.00 43.51 H new ATOM 0 HB3 ARG A 48 3.890 -13.454 1.233 1.00 43.51 H new ATOM 0 HG2 ARG A 48 5.655 -13.590 3.010 1.00 34.02 H new ATOM 0 HG3 ARG A 48 5.470 -15.333 3.046 1.00 34.02 H new ATOM 0 HD2 ARG A 48 6.473 -13.641 0.721 1.00 62.13 H new ATOM 0 HD3 ARG A 48 7.397 -14.790 1.669 1.00 62.13 H new ATOM 0 HE ARG A 48 5.151 -16.139 0.468 1.00 41.30 H new ATOM 0 HH11 ARG A 48 8.286 -14.735 -0.399 1.00 64.24 H new ATOM 0 HH12 ARG A 48 8.495 -15.805 -1.789 1.00 64.24 H new ATOM 0 HH21 ARG A 48 5.393 -17.415 -1.366 1.00 64.23 H new ATOM 0 HH22 ARG A 48 6.868 -17.312 -2.334 1.00 64.23 H new ATOM 792 N LYS A 49 3.655 -15.057 5.121 1.00 61.31 N ATOM 793 CA LYS A 49 3.842 -16.017 6.223 1.00 50.52 C ATOM 794 C LYS A 49 2.491 -16.327 6.887 1.00 4.42 C ATOM 795 O LYS A 49 2.197 -17.479 7.228 1.00 3.51 O ATOM 796 CB LYS A 49 4.838 -15.412 7.242 1.00 54.20 C ATOM 797 CG LYS A 49 5.268 -16.326 8.400 1.00 24.11 C ATOM 798 CD LYS A 49 6.347 -15.655 9.283 1.00 45.11 C ATOM 799 CE LYS A 49 6.931 -16.601 10.340 1.00 5.30 C ATOM 800 NZ LYS A 49 7.553 -17.803 9.719 1.00 52.41 N ATOM 0 H LYS A 49 4.127 -14.167 5.282 1.00 61.31 H new ATOM 0 HA LYS A 49 4.246 -16.954 5.841 1.00 50.52 H new ATOM 0 HB2 LYS A 49 5.732 -15.100 6.702 1.00 54.20 H new ATOM 0 HB3 LYS A 49 4.391 -14.512 7.664 1.00 54.20 H new ATOM 0 HG2 LYS A 49 4.400 -16.574 9.010 1.00 24.11 H new ATOM 0 HG3 LYS A 49 5.655 -17.263 8.000 1.00 24.11 H new ATOM 0 HD2 LYS A 49 7.153 -15.289 8.647 1.00 45.11 H new ATOM 0 HD3 LYS A 49 5.913 -14.787 9.780 1.00 45.11 H new ATOM 0 HE2 LYS A 49 7.677 -16.070 10.932 1.00 5.30 H new ATOM 0 HE3 LYS A 49 6.143 -16.912 11.025 1.00 5.30 H new ATOM 0 HZ1 LYS A 49 8.151 -18.286 10.420 1.00 52.41 H new ATOM 0 HZ2 LYS A 49 6.807 -18.451 9.395 1.00 52.41 H new ATOM 0 HZ3 LYS A 49 8.136 -17.513 8.908 1.00 52.41 H new ATOM 814 N GLN A 50 1.674 -15.277 7.039 1.00 21.24 N ATOM 815 CA GLN A 50 0.307 -15.378 7.577 1.00 35.52 C ATOM 816 C GLN A 50 -0.731 -15.492 6.442 1.00 34.14 C ATOM 817 O GLN A 50 -1.908 -15.774 6.699 1.00 20.43 O ATOM 818 CB GLN A 50 0.021 -14.144 8.465 1.00 3.14 C ATOM 819 CG GLN A 50 0.978 -14.000 9.660 1.00 70.20 C ATOM 820 CD GLN A 50 0.897 -15.163 10.664 1.00 51.33 C ATOM 821 OE1 GLN A 50 -0.161 -15.777 10.858 1.00 3.54 O ATOM 822 NE2 GLN A 50 2.013 -15.482 11.313 1.00 34.33 N ATOM 0 H GLN A 50 1.943 -14.325 6.791 1.00 21.24 H new ATOM 0 HA GLN A 50 0.227 -16.283 8.179 1.00 35.52 H new ATOM 0 HB2 GLN A 50 0.084 -13.245 7.852 1.00 3.14 H new ATOM 0 HB3 GLN A 50 -1.002 -14.206 8.837 1.00 3.14 H new ATOM 0 HG2 GLN A 50 2.000 -13.924 9.288 1.00 70.20 H new ATOM 0 HG3 GLN A 50 0.758 -13.068 10.180 1.00 70.20 H new ATOM 0 HE21 GLN A 50 2.872 -14.962 11.136 1.00 34.33 H new ATOM 0 HE22 GLN A 50 2.010 -16.247 11.988 1.00 34.33 H new ATOM 831 N GLY A 51 -0.279 -15.253 5.191 1.00 43.44 N ATOM 832 CA GLY A 51 -1.143 -15.285 4.004 1.00 24.13 C ATOM 833 C GLY A 51 -2.155 -14.136 3.957 1.00 32.13 C ATOM 834 O GLY A 51 -3.149 -14.208 3.234 1.00 10.20 O ATOM 0 H GLY A 51 0.695 -15.033 4.983 1.00 43.44 H new ATOM 0 HA2 GLY A 51 -0.521 -15.248 3.110 1.00 24.13 H new ATOM 0 HA3 GLY A 51 -1.680 -16.233 3.980 1.00 24.13 H new ATOM 838 N ARG A 52 -1.895 -13.078 4.727 1.00 62.05 N ATOM 839 CA ARG A 52 -2.809 -11.930 4.871 1.00 1.42 C ATOM 840 C ARG A 52 -2.370 -10.773 3.956 1.00 71.31 C ATOM 841 O ARG A 52 -1.217 -10.744 3.497 1.00 13.04 O ATOM 842 CB ARG A 52 -2.805 -11.444 6.345 1.00 4.04 C ATOM 843 CG ARG A 52 -3.150 -12.535 7.370 1.00 43.42 C ATOM 844 CD ARG A 52 -3.030 -12.032 8.813 1.00 74.10 C ATOM 845 NE ARG A 52 -3.044 -13.135 9.781 1.00 44.32 N ATOM 846 CZ ARG A 52 -2.712 -13.028 11.074 1.00 50.31 C ATOM 847 NH1 ARG A 52 -2.338 -11.858 11.595 1.00 2.31 N ATOM 848 NH2 ARG A 52 -2.712 -14.110 11.834 1.00 20.13 N ATOM 0 H ARG A 52 -1.039 -12.987 5.275 1.00 62.05 H new ATOM 0 HA ARG A 52 -3.812 -12.247 4.586 1.00 1.42 H new ATOM 0 HB2 ARG A 52 -1.820 -11.040 6.580 1.00 4.04 H new ATOM 0 HB3 ARG A 52 -3.518 -10.626 6.448 1.00 4.04 H new ATOM 0 HG2 ARG A 52 -4.166 -12.889 7.194 1.00 43.42 H new ATOM 0 HG3 ARG A 52 -2.486 -13.388 7.228 1.00 43.42 H new ATOM 0 HD2 ARG A 52 -2.106 -11.464 8.924 1.00 74.10 H new ATOM 0 HD3 ARG A 52 -3.852 -11.349 9.029 1.00 74.10 H new ATOM 0 HE ARG A 52 -3.329 -14.054 9.443 1.00 44.32 H new ATOM 0 HH11 ARG A 52 -2.301 -11.026 11.006 1.00 2.31 H new ATOM 0 HH12 ARG A 52 -2.089 -11.796 12.582 1.00 2.31 H new ATOM 0 HH21 ARG A 52 -2.963 -15.014 11.434 1.00 20.13 H new ATOM 0 HH22 ARG A 52 -2.461 -14.041 12.820 1.00 20.13 H new ATOM 862 N PRO A 53 -3.293 -9.806 3.657 1.00 53.30 N ATOM 863 CA PRO A 53 -2.894 -8.497 3.118 1.00 43.44 C ATOM 864 C PRO A 53 -2.033 -7.703 4.132 1.00 43.22 C ATOM 865 O PRO A 53 -2.131 -7.914 5.349 1.00 71.33 O ATOM 866 CB PRO A 53 -4.245 -7.781 2.810 1.00 33.25 C ATOM 867 CG PRO A 53 -5.274 -8.878 2.790 1.00 34.01 C ATOM 868 CD PRO A 53 -4.775 -9.923 3.766 1.00 65.34 C ATOM 0 HA PRO A 53 -2.267 -8.585 2.231 1.00 43.44 H new ATOM 0 HB2 PRO A 53 -4.478 -7.035 3.570 1.00 33.25 H new ATOM 0 HB3 PRO A 53 -4.206 -7.260 1.854 1.00 33.25 H new ATOM 0 HG2 PRO A 53 -6.254 -8.502 3.085 1.00 34.01 H new ATOM 0 HG3 PRO A 53 -5.382 -9.296 1.789 1.00 34.01 H new ATOM 0 HD2 PRO A 53 -5.122 -9.725 4.780 1.00 65.34 H new ATOM 0 HD3 PRO A 53 -5.121 -10.922 3.500 1.00 65.34 H new ATOM 876 N ILE A 54 -1.177 -6.816 3.620 1.00 23.12 N ATOM 877 CA ILE A 54 -0.361 -5.909 4.444 1.00 72.11 C ATOM 878 C ILE A 54 -0.502 -4.489 3.895 1.00 35.30 C ATOM 879 O ILE A 54 -0.422 -4.273 2.689 1.00 72.13 O ATOM 880 CB ILE A 54 1.149 -6.335 4.482 1.00 41.43 C ATOM 881 CG1 ILE A 54 1.969 -5.355 5.377 1.00 52.41 C ATOM 882 CG2 ILE A 54 1.749 -6.454 3.057 1.00 72.44 C ATOM 883 CD1 ILE A 54 3.448 -5.635 5.423 1.00 44.35 C ATOM 0 H ILE A 54 -1.027 -6.703 2.618 1.00 23.12 H new ATOM 0 HA ILE A 54 -0.723 -5.956 5.471 1.00 72.11 H new ATOM 0 HB ILE A 54 1.209 -7.328 4.928 1.00 41.43 H new ATOM 0 HG12 ILE A 54 1.816 -4.339 5.014 1.00 52.41 H new ATOM 0 HG13 ILE A 54 1.574 -5.394 6.392 1.00 52.41 H new ATOM 0 HG21 ILE A 54 2.796 -6.751 3.126 1.00 72.44 H new ATOM 0 HG22 ILE A 54 1.196 -7.204 2.491 1.00 72.44 H new ATOM 0 HG23 ILE A 54 1.678 -5.491 2.551 1.00 72.44 H new ATOM 0 HD11 ILE A 54 3.937 -4.905 6.068 1.00 44.35 H new ATOM 0 HD12 ILE A 54 3.616 -6.637 5.817 1.00 44.35 H new ATOM 0 HD13 ILE A 54 3.863 -5.566 4.417 1.00 44.35 H new ATOM 895 N VAL A 55 -0.716 -3.522 4.791 1.00 33.15 N ATOM 896 CA VAL A 55 -1.104 -2.164 4.412 1.00 63.03 C ATOM 897 C VAL A 55 -0.012 -1.168 4.834 1.00 11.13 C ATOM 898 O VAL A 55 0.169 -0.898 6.024 1.00 31.22 O ATOM 899 CB VAL A 55 -2.505 -1.791 5.031 1.00 15.14 C ATOM 900 CG1 VAL A 55 -3.122 -0.601 4.292 1.00 50.24 C ATOM 901 CG2 VAL A 55 -3.473 -2.992 5.005 1.00 32.20 C ATOM 0 H VAL A 55 -0.625 -3.660 5.798 1.00 33.15 H new ATOM 0 HA VAL A 55 -1.206 -2.112 3.328 1.00 63.03 H new ATOM 0 HB VAL A 55 -2.340 -1.514 6.072 1.00 15.14 H new ATOM 0 HG11 VAL A 55 -4.088 -0.359 4.734 1.00 50.24 H new ATOM 0 HG12 VAL A 55 -2.460 0.261 4.374 1.00 50.24 H new ATOM 0 HG13 VAL A 55 -3.258 -0.856 3.241 1.00 50.24 H new ATOM 0 HG21 VAL A 55 -4.429 -2.699 5.439 1.00 32.20 H new ATOM 0 HG22 VAL A 55 -3.626 -3.314 3.975 1.00 32.20 H new ATOM 0 HG23 VAL A 55 -3.049 -3.814 5.582 1.00 32.20 H new ATOM 911 N ILE A 56 0.723 -0.641 3.841 1.00 31.51 N ATOM 912 CA ILE A 56 1.878 0.249 4.066 1.00 23.14 C ATOM 913 C ILE A 56 1.437 1.719 3.912 1.00 41.23 C ATOM 914 O ILE A 56 1.076 2.143 2.811 1.00 1.21 O ATOM 915 CB ILE A 56 3.049 -0.071 3.053 1.00 11.34 C ATOM 916 CG1 ILE A 56 3.451 -1.583 3.121 1.00 65.52 C ATOM 917 CG2 ILE A 56 4.282 0.843 3.298 1.00 72.42 C ATOM 918 CD1 ILE A 56 3.975 -2.048 4.472 1.00 62.30 C ATOM 0 H ILE A 56 0.533 -0.820 2.855 1.00 31.51 H new ATOM 0 HA ILE A 56 2.249 0.082 5.077 1.00 23.14 H new ATOM 0 HB ILE A 56 2.680 0.138 2.049 1.00 11.34 H new ATOM 0 HG12 ILE A 56 2.583 -2.187 2.857 1.00 65.52 H new ATOM 0 HG13 ILE A 56 4.214 -1.775 2.366 1.00 65.52 H new ATOM 0 HG21 ILE A 56 5.067 0.595 2.584 1.00 72.42 H new ATOM 0 HG22 ILE A 56 3.993 1.886 3.171 1.00 72.42 H new ATOM 0 HG23 ILE A 56 4.653 0.690 4.312 1.00 72.42 H new ATOM 0 HD11 ILE A 56 4.227 -3.107 4.420 1.00 62.30 H new ATOM 0 HD12 ILE A 56 4.865 -1.476 4.733 1.00 62.30 H new ATOM 0 HD13 ILE A 56 3.209 -1.894 5.232 1.00 62.30 H new ATOM 930 N PHE A 57 1.453 2.475 5.024 1.00 72.42 N ATOM 931 CA PHE A 57 1.038 3.894 5.045 1.00 3.31 C ATOM 932 C PHE A 57 2.255 4.826 4.918 1.00 22.40 C ATOM 933 O PHE A 57 3.089 4.912 5.826 1.00 62.33 O ATOM 934 CB PHE A 57 0.235 4.201 6.335 1.00 44.42 C ATOM 935 CG PHE A 57 -1.168 3.610 6.329 1.00 22.34 C ATOM 936 CD1 PHE A 57 -1.403 2.295 6.718 1.00 55.41 C ATOM 937 CD2 PHE A 57 -2.251 4.377 5.913 1.00 43.31 C ATOM 938 CE1 PHE A 57 -2.679 1.775 6.691 1.00 62.32 C ATOM 939 CE2 PHE A 57 -3.519 3.851 5.882 1.00 14.32 C ATOM 940 CZ PHE A 57 -3.734 2.555 6.266 1.00 54.20 C ATOM 0 H PHE A 57 1.753 2.123 5.933 1.00 72.42 H new ATOM 0 HA PHE A 57 0.391 4.076 4.187 1.00 3.31 H new ATOM 0 HB2 PHE A 57 0.781 3.813 7.195 1.00 44.42 H new ATOM 0 HB3 PHE A 57 0.166 5.281 6.462 1.00 44.42 H new ATOM 0 HD1 PHE A 57 -0.579 1.677 7.044 1.00 55.41 H new ATOM 0 HD2 PHE A 57 -2.092 5.401 5.610 1.00 43.31 H new ATOM 0 HE1 PHE A 57 -2.853 0.756 7.003 1.00 62.32 H new ATOM 0 HE2 PHE A 57 -4.348 4.461 5.554 1.00 14.32 H new ATOM 0 HZ PHE A 57 -4.732 2.142 6.236 1.00 54.20 H new ATOM 950 N ILE A 58 2.344 5.505 3.764 1.00 71.44 N ATOM 951 CA ILE A 58 3.410 6.481 3.442 1.00 2.22 C ATOM 952 C ILE A 58 2.807 7.685 2.698 1.00 45.33 C ATOM 953 O ILE A 58 1.741 7.582 2.097 1.00 2.03 O ATOM 954 CB ILE A 58 4.540 5.838 2.553 1.00 14.42 C ATOM 955 CG1 ILE A 58 3.925 5.092 1.341 1.00 34.43 C ATOM 956 CG2 ILE A 58 5.458 4.905 3.380 1.00 50.41 C ATOM 957 CD1 ILE A 58 4.939 4.433 0.444 1.00 13.22 C ATOM 0 H ILE A 58 1.666 5.393 3.010 1.00 71.44 H new ATOM 0 HA ILE A 58 3.857 6.803 4.383 1.00 2.22 H new ATOM 0 HB ILE A 58 5.164 6.647 2.174 1.00 14.42 H new ATOM 0 HG12 ILE A 58 3.233 4.334 1.708 1.00 34.43 H new ATOM 0 HG13 ILE A 58 3.340 5.799 0.752 1.00 34.43 H new ATOM 0 HG21 ILE A 58 6.225 4.481 2.732 1.00 50.41 H new ATOM 0 HG22 ILE A 58 5.933 5.476 4.178 1.00 50.41 H new ATOM 0 HG23 ILE A 58 4.864 4.101 3.813 1.00 50.41 H new ATOM 0 HD11 ILE A 58 4.427 3.934 -0.379 1.00 13.22 H new ATOM 0 HD12 ILE A 58 5.617 5.188 0.045 1.00 13.22 H new ATOM 0 HD13 ILE A 58 5.508 3.700 1.015 1.00 13.22 H new ATOM 969 N ARG A 59 3.495 8.829 2.761 1.00 32.03 N ATOM 970 CA ARG A 59 3.061 10.074 2.089 1.00 4.42 C ATOM 971 C ARG A 59 3.602 10.100 0.640 1.00 40.41 C ATOM 972 O ARG A 59 4.525 9.343 0.322 1.00 15.31 O ATOM 973 CB ARG A 59 3.560 11.295 2.915 1.00 25.33 C ATOM 974 CG ARG A 59 2.968 12.662 2.499 1.00 31.34 C ATOM 975 CD ARG A 59 3.565 13.833 3.306 1.00 10.12 C ATOM 976 NE ARG A 59 3.027 15.133 2.884 1.00 11.31 N ATOM 977 CZ ARG A 59 3.395 16.325 3.380 1.00 1.51 C ATOM 978 NH1 ARG A 59 4.336 16.424 4.324 1.00 64.04 N ATOM 979 NH2 ARG A 59 2.816 17.423 2.920 1.00 23.43 N ATOM 0 H ARG A 59 4.369 8.926 3.277 1.00 32.03 H new ATOM 0 HA ARG A 59 1.973 10.119 2.035 1.00 4.42 H new ATOM 0 HB2 ARG A 59 3.327 11.121 3.966 1.00 25.33 H new ATOM 0 HB3 ARG A 59 4.646 11.348 2.834 1.00 25.33 H new ATOM 0 HG2 ARG A 59 3.151 12.826 1.437 1.00 31.34 H new ATOM 0 HG3 ARG A 59 1.887 12.644 2.637 1.00 31.34 H new ATOM 0 HD2 ARG A 59 3.358 13.684 4.366 1.00 10.12 H new ATOM 0 HD3 ARG A 59 4.649 13.836 3.190 1.00 10.12 H new ATOM 0 HE ARG A 59 2.315 15.130 2.154 1.00 11.31 H new ATOM 0 HH11 ARG A 59 4.790 15.584 4.682 1.00 64.04 H new ATOM 0 HH12 ARG A 59 4.600 17.340 4.687 1.00 64.04 H new ATOM 0 HH21 ARG A 59 2.099 17.357 2.197 1.00 23.43 H new ATOM 0 HH22 ARG A 59 3.086 18.335 3.288 1.00 23.43 H new ATOM 993 N GLY A 60 3.012 10.974 -0.219 1.00 43.02 N ATOM 994 CA GLY A 60 3.370 11.086 -1.655 1.00 64.03 C ATOM 995 C GLY A 60 4.865 11.277 -1.952 1.00 11.02 C ATOM 996 O GLY A 60 5.321 10.952 -3.054 1.00 52.11 O ATOM 0 H GLY A 60 2.276 11.619 0.067 1.00 43.02 H new ATOM 0 HA2 GLY A 60 3.028 10.187 -2.168 1.00 64.03 H new ATOM 0 HA3 GLY A 60 2.822 11.925 -2.083 1.00 64.03 H new ATOM 1000 N ALA A 61 5.616 11.810 -0.968 1.00 4.01 N ATOM 1001 CA ALA A 61 7.084 11.953 -1.053 1.00 3.42 C ATOM 1002 C ALA A 61 7.767 10.576 -0.927 1.00 1.23 C ATOM 1003 O ALA A 61 8.557 10.175 -1.784 1.00 45.34 O ATOM 1004 CB ALA A 61 7.583 12.906 0.049 1.00 63.51 C ATOM 0 H ALA A 61 5.223 12.154 -0.092 1.00 4.01 H new ATOM 0 HA ALA A 61 7.342 12.374 -2.025 1.00 3.42 H new ATOM 0 HB1 ALA A 61 8.666 13.007 -0.020 1.00 63.51 H new ATOM 0 HB2 ALA A 61 7.119 13.884 -0.078 1.00 63.51 H new ATOM 0 HB3 ALA A 61 7.318 12.503 1.026 1.00 63.51 H new ATOM 1010 N TYR A 62 7.403 9.862 0.149 1.00 71.43 N ATOM 1011 CA TYR A 62 7.940 8.528 0.498 1.00 25.41 C ATOM 1012 C TYR A 62 7.552 7.458 -0.541 1.00 32.32 C ATOM 1013 O TYR A 62 8.221 6.434 -0.658 1.00 34.13 O ATOM 1014 CB TYR A 62 7.453 8.110 1.908 1.00 32.12 C ATOM 1015 CG TYR A 62 7.757 9.144 2.998 1.00 15.20 C ATOM 1016 CD1 TYR A 62 9.069 9.546 3.262 1.00 4.22 C ATOM 1017 CD2 TYR A 62 6.738 9.733 3.747 1.00 71.42 C ATOM 1018 CE1 TYR A 62 9.348 10.477 4.234 1.00 61.22 C ATOM 1019 CE2 TYR A 62 7.015 10.670 4.719 1.00 30.14 C ATOM 1020 CZ TYR A 62 8.319 11.037 4.956 1.00 74.34 C ATOM 1021 OH TYR A 62 8.597 11.968 5.925 1.00 61.35 O ATOM 0 H TYR A 62 6.712 10.199 0.819 1.00 71.43 H new ATOM 0 HA TYR A 62 9.028 8.601 0.498 1.00 25.41 H new ATOM 0 HB2 TYR A 62 6.377 7.937 1.874 1.00 32.12 H new ATOM 0 HB3 TYR A 62 7.920 7.163 2.178 1.00 32.12 H new ATOM 0 HD1 TYR A 62 9.879 9.117 2.691 1.00 4.22 H new ATOM 0 HD2 TYR A 62 5.713 9.449 3.562 1.00 71.42 H new ATOM 0 HE1 TYR A 62 10.370 10.768 4.430 1.00 61.22 H new ATOM 0 HE2 TYR A 62 6.213 11.113 5.291 1.00 30.14 H new ATOM 0 HH TYR A 62 7.761 12.266 6.341 1.00 61.35 H new ATOM 1031 N GLU A 63 6.422 7.699 -1.239 1.00 43.24 N ATOM 1032 CA GLU A 63 5.797 6.749 -2.180 1.00 23.32 C ATOM 1033 C GLU A 63 6.781 6.185 -3.225 1.00 62.30 C ATOM 1034 O GLU A 63 6.726 4.986 -3.522 1.00 41.52 O ATOM 1035 CB GLU A 63 4.604 7.430 -2.880 1.00 45.23 C ATOM 1036 CG GLU A 63 3.815 6.504 -3.829 1.00 1.21 C ATOM 1037 CD GLU A 63 2.730 7.212 -4.651 1.00 33.53 C ATOM 1038 OE1 GLU A 63 3.067 8.141 -5.391 1.00 71.25 O ATOM 1039 OE2 GLU A 63 1.545 6.810 -4.594 1.00 75.02 O ATOM 0 H GLU A 63 5.909 8.577 -1.162 1.00 43.24 H new ATOM 0 HA GLU A 63 5.456 5.896 -1.594 1.00 23.32 H new ATOM 0 HB2 GLU A 63 3.925 7.818 -2.121 1.00 45.23 H new ATOM 0 HB3 GLU A 63 4.970 8.286 -3.447 1.00 45.23 H new ATOM 0 HG2 GLU A 63 4.515 6.023 -4.512 1.00 1.21 H new ATOM 0 HG3 GLU A 63 3.350 5.713 -3.241 1.00 1.21 H new ATOM 1046 N GLU A 64 7.709 7.040 -3.720 1.00 0.01 N ATOM 1047 CA GLU A 64 8.661 6.678 -4.798 1.00 12.02 C ATOM 1048 C GLU A 64 9.515 5.433 -4.434 1.00 21.23 C ATOM 1049 O GLU A 64 9.962 4.710 -5.324 1.00 1.04 O ATOM 1050 CB GLU A 64 9.550 7.902 -5.195 1.00 13.10 C ATOM 1051 CG GLU A 64 10.694 8.309 -4.208 1.00 14.21 C ATOM 1052 CD GLU A 64 12.050 7.607 -4.475 1.00 35.42 C ATOM 1053 OE1 GLU A 64 12.635 7.838 -5.560 1.00 1.20 O ATOM 1054 OE2 GLU A 64 12.533 6.825 -3.623 1.00 24.25 O ATOM 0 H GLU A 64 7.818 7.997 -3.384 1.00 0.01 H new ATOM 0 HA GLU A 64 8.072 6.400 -5.672 1.00 12.02 H new ATOM 0 HB2 GLU A 64 10.001 7.691 -6.165 1.00 13.10 H new ATOM 0 HB3 GLU A 64 8.897 8.764 -5.328 1.00 13.10 H new ATOM 0 HG2 GLU A 64 10.840 9.388 -4.265 1.00 14.21 H new ATOM 0 HG3 GLU A 64 10.376 8.084 -3.190 1.00 14.21 H new ATOM 1061 N VAL A 65 9.732 5.223 -3.115 1.00 22.12 N ATOM 1062 CA VAL A 65 10.513 4.101 -2.572 1.00 32.32 C ATOM 1063 C VAL A 65 9.906 2.723 -2.948 1.00 52.03 C ATOM 1064 O VAL A 65 10.654 1.774 -3.234 1.00 63.11 O ATOM 1065 CB VAL A 65 10.654 4.209 -1.003 1.00 21.01 C ATOM 1066 CG1 VAL A 65 11.486 3.058 -0.436 1.00 20.10 C ATOM 1067 CG2 VAL A 65 11.244 5.579 -0.576 1.00 14.20 C ATOM 0 H VAL A 65 9.362 5.840 -2.392 1.00 22.12 H new ATOM 0 HA VAL A 65 11.502 4.168 -3.026 1.00 32.32 H new ATOM 0 HB VAL A 65 9.650 4.135 -0.585 1.00 21.01 H new ATOM 0 HG11 VAL A 65 11.563 3.163 0.646 1.00 20.10 H new ATOM 0 HG12 VAL A 65 11.005 2.109 -0.675 1.00 20.10 H new ATOM 0 HG13 VAL A 65 12.484 3.080 -0.875 1.00 20.10 H new ATOM 0 HG21 VAL A 65 11.326 5.617 0.510 1.00 14.20 H new ATOM 0 HG22 VAL A 65 12.232 5.704 -1.020 1.00 14.20 H new ATOM 0 HG23 VAL A 65 10.589 6.380 -0.918 1.00 14.20 H new ATOM 1077 N VAL A 66 8.551 2.634 -2.955 1.00 20.01 N ATOM 1078 CA VAL A 66 7.815 1.371 -3.232 1.00 3.31 C ATOM 1079 C VAL A 66 8.197 0.774 -4.592 1.00 21.43 C ATOM 1080 O VAL A 66 8.220 -0.434 -4.723 1.00 30.00 O ATOM 1081 CB VAL A 66 6.249 1.528 -3.113 1.00 54.21 C ATOM 1082 CG1 VAL A 66 5.481 0.219 -3.472 1.00 20.13 C ATOM 1083 CG2 VAL A 66 5.884 1.994 -1.701 1.00 51.43 C ATOM 0 H VAL A 66 7.940 3.430 -2.770 1.00 20.01 H new ATOM 0 HA VAL A 66 8.125 0.674 -2.453 1.00 3.31 H new ATOM 0 HB VAL A 66 5.940 2.278 -3.842 1.00 54.21 H new ATOM 0 HG11 VAL A 66 4.409 0.387 -3.372 1.00 20.13 H new ATOM 0 HG12 VAL A 66 5.709 -0.067 -4.499 1.00 20.13 H new ATOM 0 HG13 VAL A 66 5.787 -0.580 -2.796 1.00 20.13 H new ATOM 0 HG21 VAL A 66 4.802 2.102 -1.622 1.00 51.43 H new ATOM 0 HG22 VAL A 66 6.230 1.259 -0.974 1.00 51.43 H new ATOM 0 HG23 VAL A 66 6.360 2.954 -1.500 1.00 51.43 H new ATOM 1093 N ARG A 67 8.565 1.641 -5.554 1.00 15.13 N ATOM 1094 CA ARG A 67 9.041 1.236 -6.905 1.00 62.50 C ATOM 1095 C ARG A 67 10.153 0.163 -6.802 1.00 50.22 C ATOM 1096 O ARG A 67 10.140 -0.839 -7.522 1.00 72.00 O ATOM 1097 CB ARG A 67 9.605 2.506 -7.599 1.00 52.00 C ATOM 1098 CG ARG A 67 10.437 2.289 -8.894 1.00 31.45 C ATOM 1099 CD ARG A 67 11.302 3.524 -9.222 1.00 53.30 C ATOM 1100 NE ARG A 67 12.276 3.792 -8.136 1.00 0.41 N ATOM 1101 CZ ARG A 67 12.488 4.976 -7.530 1.00 21.32 C ATOM 1102 NH1 ARG A 67 11.807 6.065 -7.886 1.00 44.04 N ATOM 1103 NH2 ARG A 67 13.359 5.059 -6.531 1.00 64.34 N ATOM 0 H ARG A 67 8.543 2.652 -5.422 1.00 15.13 H new ATOM 0 HA ARG A 67 8.217 0.807 -7.475 1.00 62.50 H new ATOM 0 HB2 ARG A 67 8.768 3.161 -7.839 1.00 52.00 H new ATOM 0 HB3 ARG A 67 10.229 3.037 -6.880 1.00 52.00 H new ATOM 0 HG2 ARG A 67 11.078 1.416 -8.774 1.00 31.45 H new ATOM 0 HG3 ARG A 67 9.767 2.081 -9.728 1.00 31.45 H new ATOM 0 HD2 ARG A 67 11.833 3.362 -10.160 1.00 53.30 H new ATOM 0 HD3 ARG A 67 10.661 4.394 -9.364 1.00 53.30 H new ATOM 0 HE ARG A 67 12.840 3.004 -7.817 1.00 0.41 H new ATOM 0 HH11 ARG A 67 11.111 6.011 -8.629 1.00 44.04 H new ATOM 0 HH12 ARG A 67 11.982 6.953 -7.415 1.00 44.04 H new ATOM 0 HH21 ARG A 67 13.865 4.228 -6.225 1.00 64.34 H new ATOM 0 HH22 ARG A 67 13.522 5.954 -6.070 1.00 64.34 H new ATOM 1117 N ASP A 68 11.093 0.394 -5.869 1.00 34.20 N ATOM 1118 CA ASP A 68 12.229 -0.510 -5.605 1.00 3.25 C ATOM 1119 C ASP A 68 11.776 -1.742 -4.801 1.00 33.14 C ATOM 1120 O ASP A 68 12.203 -2.864 -5.068 1.00 54.20 O ATOM 1121 CB ASP A 68 13.345 0.263 -4.856 1.00 53.12 C ATOM 1122 CG ASP A 68 13.767 1.559 -5.587 1.00 4.41 C ATOM 1123 OD1 ASP A 68 13.897 1.539 -6.830 1.00 74.44 O ATOM 1124 OD2 ASP A 68 13.957 2.603 -4.930 1.00 25.24 O ATOM 0 H ASP A 68 11.087 1.220 -5.271 1.00 34.20 H new ATOM 0 HA ASP A 68 12.625 -0.867 -6.556 1.00 3.25 H new ATOM 0 HB2 ASP A 68 12.998 0.513 -3.853 1.00 53.12 H new ATOM 0 HB3 ASP A 68 14.215 -0.384 -4.741 1.00 53.12 H new ATOM 1129 N ILE A 69 10.880 -1.495 -3.826 1.00 31.21 N ATOM 1130 CA ILE A 69 10.290 -2.531 -2.945 1.00 64.25 C ATOM 1131 C ILE A 69 9.449 -3.561 -3.765 1.00 24.12 C ATOM 1132 O ILE A 69 9.327 -4.732 -3.367 1.00 44.54 O ATOM 1133 CB ILE A 69 9.417 -1.866 -1.810 1.00 52.43 C ATOM 1134 CG1 ILE A 69 10.261 -0.822 -1.004 1.00 23.03 C ATOM 1135 CG2 ILE A 69 8.808 -2.925 -0.856 1.00 1.20 C ATOM 1136 CD1 ILE A 69 9.479 -0.054 0.052 1.00 41.33 C ATOM 0 H ILE A 69 10.538 -0.556 -3.622 1.00 31.21 H new ATOM 0 HA ILE A 69 11.108 -3.075 -2.473 1.00 64.25 H new ATOM 0 HB ILE A 69 8.590 -1.348 -2.296 1.00 52.43 H new ATOM 0 HG12 ILE A 69 11.088 -1.340 -0.519 1.00 23.03 H new ATOM 0 HG13 ILE A 69 10.697 -0.109 -1.704 1.00 23.03 H new ATOM 0 HG21 ILE A 69 8.215 -2.426 -0.090 1.00 1.20 H new ATOM 0 HG22 ILE A 69 8.171 -3.603 -1.424 1.00 1.20 H new ATOM 0 HG23 ILE A 69 9.610 -3.492 -0.382 1.00 1.20 H new ATOM 0 HD11 ILE A 69 10.143 0.646 0.560 1.00 41.33 H new ATOM 0 HD12 ILE A 69 8.668 0.497 -0.425 1.00 41.33 H new ATOM 0 HD13 ILE A 69 9.065 -0.753 0.778 1.00 41.33 H new ATOM 1148 N VAL A 70 8.882 -3.088 -4.910 1.00 52.11 N ATOM 1149 CA VAL A 70 8.133 -3.920 -5.874 1.00 0.14 C ATOM 1150 C VAL A 70 8.993 -5.116 -6.312 1.00 54.54 C ATOM 1151 O VAL A 70 8.521 -6.254 -6.286 1.00 51.23 O ATOM 1152 CB VAL A 70 7.685 -3.091 -7.153 1.00 15.25 C ATOM 1153 CG1 VAL A 70 7.168 -4.010 -8.283 1.00 0.31 C ATOM 1154 CG2 VAL A 70 6.611 -2.037 -6.794 1.00 61.50 C ATOM 0 H VAL A 70 8.937 -2.107 -5.185 1.00 52.11 H new ATOM 0 HA VAL A 70 7.232 -4.272 -5.372 1.00 0.14 H new ATOM 0 HB VAL A 70 8.573 -2.574 -7.517 1.00 15.25 H new ATOM 0 HG11 VAL A 70 6.872 -3.403 -9.139 1.00 0.31 H new ATOM 0 HG12 VAL A 70 7.958 -4.698 -8.582 1.00 0.31 H new ATOM 0 HG13 VAL A 70 6.309 -4.577 -7.926 1.00 0.31 H new ATOM 0 HG21 VAL A 70 6.326 -1.487 -7.691 1.00 61.50 H new ATOM 0 HG22 VAL A 70 5.735 -2.537 -6.381 1.00 61.50 H new ATOM 0 HG23 VAL A 70 7.014 -1.343 -6.056 1.00 61.50 H new ATOM 1164 N GLU A 71 10.271 -4.821 -6.659 1.00 35.40 N ATOM 1165 CA GLU A 71 11.251 -5.822 -7.110 1.00 72.20 C ATOM 1166 C GLU A 71 11.355 -6.976 -6.100 1.00 41.10 C ATOM 1167 O GLU A 71 11.258 -8.139 -6.491 1.00 75.51 O ATOM 1168 CB GLU A 71 12.647 -5.172 -7.323 1.00 60.44 C ATOM 1169 CG GLU A 71 13.745 -6.160 -7.776 1.00 30.52 C ATOM 1170 CD GLU A 71 15.146 -5.538 -7.796 1.00 15.42 C ATOM 1171 OE1 GLU A 71 15.504 -4.873 -8.792 1.00 53.22 O ATOM 1172 OE2 GLU A 71 15.902 -5.716 -6.811 1.00 13.34 O ATOM 0 H GLU A 71 10.646 -3.873 -6.631 1.00 35.40 H new ATOM 0 HA GLU A 71 10.905 -6.223 -8.063 1.00 72.20 H new ATOM 0 HB2 GLU A 71 12.557 -4.381 -8.067 1.00 60.44 H new ATOM 0 HB3 GLU A 71 12.961 -4.700 -6.392 1.00 60.44 H new ATOM 0 HG2 GLU A 71 13.747 -7.022 -7.109 1.00 30.52 H new ATOM 0 HG3 GLU A 71 13.504 -6.529 -8.773 1.00 30.52 H new ATOM 1179 N TYR A 72 11.492 -6.618 -4.801 1.00 63.31 N ATOM 1180 CA TYR A 72 11.573 -7.583 -3.688 1.00 42.21 C ATOM 1181 C TYR A 72 10.330 -8.499 -3.668 1.00 13.30 C ATOM 1182 O TYR A 72 10.457 -9.722 -3.626 1.00 70.24 O ATOM 1183 CB TYR A 72 11.711 -6.838 -2.322 1.00 71.40 C ATOM 1184 CG TYR A 72 11.829 -7.777 -1.102 1.00 4.44 C ATOM 1185 CD1 TYR A 72 10.693 -8.250 -0.425 1.00 70.45 C ATOM 1186 CD2 TYR A 72 13.072 -8.220 -0.648 1.00 73.34 C ATOM 1187 CE1 TYR A 72 10.799 -9.117 0.644 1.00 72.54 C ATOM 1188 CE2 TYR A 72 13.177 -9.092 0.419 1.00 11.32 C ATOM 1189 CZ TYR A 72 12.041 -9.537 1.059 1.00 3.05 C ATOM 1190 OH TYR A 72 12.152 -10.423 2.112 1.00 24.50 O ATOM 0 H TYR A 72 11.549 -5.646 -4.499 1.00 63.31 H new ATOM 0 HA TYR A 72 12.458 -8.200 -3.841 1.00 42.21 H new ATOM 0 HB2 TYR A 72 12.590 -6.195 -2.358 1.00 71.40 H new ATOM 0 HB3 TYR A 72 10.846 -6.189 -2.185 1.00 71.40 H new ATOM 0 HD1 TYR A 72 9.714 -7.928 -0.748 1.00 70.45 H new ATOM 0 HD2 TYR A 72 13.969 -7.875 -1.140 1.00 73.34 H new ATOM 0 HE1 TYR A 72 9.911 -9.464 1.152 1.00 72.54 H new ATOM 0 HE2 TYR A 72 14.149 -9.425 0.751 1.00 11.32 H new ATOM 0 HH TYR A 72 13.098 -10.618 2.277 1.00 24.50 H new ATOM 1200 N ALA A 73 9.140 -7.873 -3.709 1.00 43.44 N ATOM 1201 CA ALA A 73 7.845 -8.573 -3.664 1.00 14.32 C ATOM 1202 C ALA A 73 7.636 -9.483 -4.895 1.00 14.51 C ATOM 1203 O ALA A 73 6.953 -10.505 -4.801 1.00 52.43 O ATOM 1204 CB ALA A 73 6.703 -7.561 -3.527 1.00 20.13 C ATOM 0 H ALA A 73 9.050 -6.859 -3.775 1.00 43.44 H new ATOM 0 HA ALA A 73 7.847 -9.222 -2.788 1.00 14.32 H new ATOM 0 HB1 ALA A 73 5.750 -8.090 -3.495 1.00 20.13 H new ATOM 0 HB2 ALA A 73 6.832 -6.989 -2.608 1.00 20.13 H new ATOM 0 HB3 ALA A 73 6.713 -6.883 -4.381 1.00 20.13 H new ATOM 1210 N GLN A 74 8.217 -9.092 -6.051 1.00 33.24 N ATOM 1211 CA GLN A 74 8.175 -9.908 -7.286 1.00 21.52 C ATOM 1212 C GLN A 74 9.128 -11.113 -7.173 1.00 54.25 C ATOM 1213 O GLN A 74 8.869 -12.164 -7.772 1.00 53.33 O ATOM 1214 CB GLN A 74 8.510 -9.057 -8.540 1.00 50.15 C ATOM 1215 CG GLN A 74 7.513 -7.907 -8.802 1.00 43.44 C ATOM 1216 CD GLN A 74 7.771 -7.158 -10.111 1.00 4.13 C ATOM 1217 OE1 GLN A 74 8.901 -7.097 -10.602 1.00 31.42 O ATOM 1218 NE2 GLN A 74 6.737 -6.557 -10.680 1.00 12.35 N ATOM 0 H GLN A 74 8.723 -8.212 -6.155 1.00 33.24 H new ATOM 0 HA GLN A 74 7.158 -10.282 -7.403 1.00 21.52 H new ATOM 0 HB2 GLN A 74 9.510 -8.639 -8.426 1.00 50.15 H new ATOM 0 HB3 GLN A 74 8.535 -9.709 -9.413 1.00 50.15 H new ATOM 0 HG2 GLN A 74 6.501 -8.312 -8.818 1.00 43.44 H new ATOM 0 HG3 GLN A 74 7.561 -7.200 -7.973 1.00 43.44 H new ATOM 0 HE21 GLN A 74 5.812 -6.622 -10.255 1.00 12.35 H new ATOM 0 HE22 GLN A 74 6.866 -6.029 -11.543 1.00 12.35 H new ATOM 1227 N LYS A 75 10.227 -10.960 -6.396 1.00 24.40 N ATOM 1228 CA LYS A 75 11.133 -12.093 -6.064 1.00 61.13 C ATOM 1229 C LYS A 75 10.412 -13.069 -5.120 1.00 25.43 C ATOM 1230 O LYS A 75 10.638 -14.285 -5.163 1.00 72.02 O ATOM 1231 CB LYS A 75 12.472 -11.608 -5.422 1.00 22.40 C ATOM 1232 CG LYS A 75 13.249 -10.562 -6.258 1.00 40.43 C ATOM 1233 CD LYS A 75 13.432 -10.973 -7.739 1.00 13.40 C ATOM 1234 CE LYS A 75 14.157 -9.904 -8.568 1.00 60.44 C ATOM 1235 NZ LYS A 75 14.319 -10.336 -9.978 1.00 54.44 N ATOM 0 H LYS A 75 10.509 -10.069 -5.988 1.00 24.40 H new ATOM 0 HA LYS A 75 11.389 -12.600 -6.994 1.00 61.13 H new ATOM 0 HB2 LYS A 75 12.256 -11.182 -4.442 1.00 22.40 H new ATOM 0 HB3 LYS A 75 13.115 -12.473 -5.259 1.00 22.40 H new ATOM 0 HG2 LYS A 75 12.721 -9.609 -6.215 1.00 40.43 H new ATOM 0 HG3 LYS A 75 14.229 -10.404 -5.809 1.00 40.43 H new ATOM 0 HD2 LYS A 75 13.994 -11.906 -7.786 1.00 13.40 H new ATOM 0 HD3 LYS A 75 12.455 -11.168 -8.181 1.00 13.40 H new ATOM 0 HE2 LYS A 75 13.595 -8.971 -8.533 1.00 60.44 H new ATOM 0 HE3 LYS A 75 15.136 -9.704 -8.132 1.00 60.44 H new ATOM 0 HZ1 LYS A 75 14.812 -9.594 -10.514 1.00 54.44 H new ATOM 0 HZ2 LYS A 75 14.875 -11.214 -10.010 1.00 54.44 H new ATOM 0 HZ3 LYS A 75 13.383 -10.504 -10.399 1.00 54.44 H new ATOM 1249 N GLU A 76 9.537 -12.502 -4.271 1.00 53.51 N ATOM 1250 CA GLU A 76 8.645 -13.258 -3.383 1.00 72.30 C ATOM 1251 C GLU A 76 7.499 -13.919 -4.181 1.00 31.14 C ATOM 1252 O GLU A 76 6.893 -14.886 -3.715 1.00 44.42 O ATOM 1253 CB GLU A 76 8.066 -12.318 -2.291 1.00 3.42 C ATOM 1254 CG GLU A 76 9.111 -11.674 -1.369 1.00 12.11 C ATOM 1255 CD GLU A 76 9.909 -12.701 -0.559 1.00 30.25 C ATOM 1256 OE1 GLU A 76 9.357 -13.251 0.411 1.00 3.53 O ATOM 1257 OE2 GLU A 76 11.074 -12.985 -0.902 1.00 73.02 O ATOM 0 H GLU A 76 9.430 -11.491 -4.183 1.00 53.51 H new ATOM 0 HA GLU A 76 9.224 -14.049 -2.906 1.00 72.30 H new ATOM 0 HB2 GLU A 76 7.497 -11.527 -2.779 1.00 3.42 H new ATOM 0 HB3 GLU A 76 7.364 -12.885 -1.680 1.00 3.42 H new ATOM 0 HG2 GLU A 76 9.799 -11.079 -1.969 1.00 12.11 H new ATOM 0 HG3 GLU A 76 8.611 -10.989 -0.684 1.00 12.11 H new ATOM 1264 N GLY A 77 7.216 -13.381 -5.387 1.00 4.54 N ATOM 1265 CA GLY A 77 6.135 -13.879 -6.245 1.00 43.23 C ATOM 1266 C GLY A 77 4.753 -13.452 -5.763 1.00 21.53 C ATOM 1267 O GLY A 77 3.741 -14.050 -6.153 1.00 42.23 O ATOM 0 H GLY A 77 7.730 -12.595 -5.785 1.00 4.54 H new ATOM 0 HA2 GLY A 77 6.288 -13.517 -7.262 1.00 43.23 H new ATOM 0 HA3 GLY A 77 6.181 -14.967 -6.284 1.00 43.23 H new ATOM 1271 N LEU A 78 4.726 -12.413 -4.906 1.00 74.43 N ATOM 1272 CA LEU A 78 3.500 -11.898 -4.281 1.00 32.42 C ATOM 1273 C LEU A 78 2.839 -10.823 -5.148 1.00 10.14 C ATOM 1274 O LEU A 78 3.427 -10.328 -6.119 1.00 43.31 O ATOM 1275 CB LEU A 78 3.813 -11.306 -2.878 1.00 2.35 C ATOM 1276 CG LEU A 78 4.461 -12.281 -1.854 1.00 71.35 C ATOM 1277 CD1 LEU A 78 4.718 -11.570 -0.512 1.00 44.20 C ATOM 1278 CD2 LEU A 78 3.616 -13.568 -1.675 1.00 43.30 C ATOM 0 H LEU A 78 5.565 -11.905 -4.628 1.00 74.43 H new ATOM 0 HA LEU A 78 2.810 -12.735 -4.179 1.00 32.42 H new ATOM 0 HB2 LEU A 78 4.478 -10.452 -3.006 1.00 2.35 H new ATOM 0 HB3 LEU A 78 2.885 -10.926 -2.451 1.00 2.35 H new ATOM 0 HG LEU A 78 5.426 -12.594 -2.253 1.00 71.35 H new ATOM 0 HD11 LEU A 78 5.172 -12.270 0.190 1.00 44.20 H new ATOM 0 HD12 LEU A 78 5.391 -10.727 -0.670 1.00 44.20 H new ATOM 0 HD13 LEU A 78 3.774 -11.209 -0.105 1.00 44.20 H new ATOM 0 HD21 LEU A 78 4.101 -14.224 -0.952 1.00 43.30 H new ATOM 0 HD22 LEU A 78 2.622 -13.303 -1.315 1.00 43.30 H new ATOM 0 HD23 LEU A 78 3.530 -14.083 -2.632 1.00 43.30 H new ATOM 1290 N ARG A 79 1.611 -10.471 -4.750 1.00 4.20 N ATOM 1291 CA ARG A 79 0.788 -9.461 -5.410 1.00 33.50 C ATOM 1292 C ARG A 79 1.239 -8.072 -4.910 1.00 62.14 C ATOM 1293 O ARG A 79 1.302 -7.854 -3.700 1.00 62.31 O ATOM 1294 CB ARG A 79 -0.713 -9.730 -5.050 1.00 44.42 C ATOM 1295 CG ARG A 79 -1.746 -9.354 -6.132 1.00 45.45 C ATOM 1296 CD ARG A 79 -1.796 -7.857 -6.495 1.00 22.35 C ATOM 1297 NE ARG A 79 -2.761 -7.628 -7.575 1.00 74.14 N ATOM 1298 CZ ARG A 79 -2.540 -6.926 -8.690 1.00 73.55 C ATOM 1299 NH1 ARG A 79 -1.376 -6.325 -8.923 1.00 22.32 N ATOM 1300 NH2 ARG A 79 -3.486 -6.865 -9.598 1.00 11.32 N ATOM 0 H ARG A 79 1.155 -10.893 -3.941 1.00 4.20 H new ATOM 0 HA ARG A 79 0.898 -9.500 -6.494 1.00 33.50 H new ATOM 0 HB2 ARG A 79 -0.827 -10.789 -4.820 1.00 44.42 H new ATOM 0 HB3 ARG A 79 -0.952 -9.179 -4.140 1.00 44.42 H new ATOM 0 HG2 ARG A 79 -1.527 -9.924 -7.035 1.00 45.45 H new ATOM 0 HG3 ARG A 79 -2.734 -9.663 -5.792 1.00 45.45 H new ATOM 0 HD2 ARG A 79 -2.075 -7.272 -5.618 1.00 22.35 H new ATOM 0 HD3 ARG A 79 -0.807 -7.517 -6.803 1.00 22.35 H new ATOM 0 HE ARG A 79 -3.686 -8.043 -7.465 1.00 74.14 H new ATOM 0 HH11 ARG A 79 -0.621 -6.393 -8.240 1.00 22.32 H new ATOM 0 HH12 ARG A 79 -1.238 -5.796 -9.784 1.00 22.32 H new ATOM 0 HH21 ARG A 79 -4.371 -7.349 -9.446 1.00 11.32 H new ATOM 0 HH22 ARG A 79 -3.336 -6.334 -10.456 1.00 11.32 H new ATOM 1314 N VAL A 80 1.584 -7.157 -5.836 1.00 13.41 N ATOM 1315 CA VAL A 80 1.909 -5.757 -5.497 1.00 3.22 C ATOM 1316 C VAL A 80 0.759 -4.851 -5.977 1.00 64.43 C ATOM 1317 O VAL A 80 0.429 -4.835 -7.172 1.00 1.25 O ATOM 1318 CB VAL A 80 3.263 -5.273 -6.139 1.00 73.14 C ATOM 1319 CG1 VAL A 80 3.699 -3.917 -5.526 1.00 75.31 C ATOM 1320 CG2 VAL A 80 4.375 -6.343 -6.012 1.00 35.34 C ATOM 0 H VAL A 80 1.645 -7.364 -6.833 1.00 13.41 H new ATOM 0 HA VAL A 80 2.031 -5.697 -4.415 1.00 3.22 H new ATOM 0 HB VAL A 80 3.095 -5.124 -7.206 1.00 73.14 H new ATOM 0 HG11 VAL A 80 4.636 -3.597 -5.981 1.00 75.31 H new ATOM 0 HG12 VAL A 80 2.930 -3.168 -5.715 1.00 75.31 H new ATOM 0 HG13 VAL A 80 3.838 -4.032 -4.451 1.00 75.31 H new ATOM 0 HG21 VAL A 80 5.293 -5.970 -6.467 1.00 35.34 H new ATOM 0 HG22 VAL A 80 4.554 -6.558 -4.959 1.00 35.34 H new ATOM 0 HG23 VAL A 80 4.062 -7.255 -6.521 1.00 35.34 H new ATOM 1330 N LEU A 81 0.141 -4.139 -5.034 1.00 31.22 N ATOM 1331 CA LEU A 81 -1.022 -3.279 -5.281 1.00 34.32 C ATOM 1332 C LEU A 81 -0.864 -1.988 -4.470 1.00 25.01 C ATOM 1333 O LEU A 81 -0.836 -2.049 -3.256 1.00 22.32 O ATOM 1334 CB LEU A 81 -2.307 -4.039 -4.855 1.00 25.11 C ATOM 1335 CG LEU A 81 -3.661 -3.378 -5.238 1.00 30.24 C ATOM 1336 CD1 LEU A 81 -3.762 -3.202 -6.758 1.00 10.32 C ATOM 1337 CD2 LEU A 81 -4.847 -4.193 -4.680 1.00 33.34 C ATOM 0 H LEU A 81 0.438 -4.142 -4.058 1.00 31.22 H new ATOM 0 HA LEU A 81 -1.096 -3.025 -6.338 1.00 34.32 H new ATOM 0 HB2 LEU A 81 -2.277 -5.035 -5.296 1.00 25.11 H new ATOM 0 HB3 LEU A 81 -2.284 -4.169 -3.773 1.00 25.11 H new ATOM 0 HG LEU A 81 -3.704 -2.387 -4.785 1.00 30.24 H new ATOM 0 HD11 LEU A 81 -4.716 -2.738 -7.008 1.00 10.32 H new ATOM 0 HD12 LEU A 81 -2.947 -2.567 -7.106 1.00 10.32 H new ATOM 0 HD13 LEU A 81 -3.694 -4.176 -7.242 1.00 10.32 H new ATOM 0 HD21 LEU A 81 -5.784 -3.711 -4.961 1.00 33.34 H new ATOM 0 HD22 LEU A 81 -4.821 -5.202 -5.091 1.00 33.34 H new ATOM 0 HD23 LEU A 81 -4.776 -4.242 -3.593 1.00 33.34 H new ATOM 1349 N VAL A 82 -0.728 -0.823 -5.114 1.00 73.11 N ATOM 1350 CA VAL A 82 -0.634 0.462 -4.377 1.00 22.34 C ATOM 1351 C VAL A 82 -1.979 1.200 -4.477 1.00 32.01 C ATOM 1352 O VAL A 82 -2.339 1.684 -5.552 1.00 41.14 O ATOM 1353 CB VAL A 82 0.529 1.368 -4.936 1.00 34.23 C ATOM 1354 CG1 VAL A 82 0.692 2.673 -4.112 1.00 51.00 C ATOM 1355 CG2 VAL A 82 1.856 0.575 -5.028 1.00 34.45 C ATOM 0 H VAL A 82 -0.680 -0.733 -6.129 1.00 73.11 H new ATOM 0 HA VAL A 82 -0.406 0.247 -3.333 1.00 22.34 H new ATOM 0 HB VAL A 82 0.254 1.669 -5.947 1.00 34.23 H new ATOM 0 HG11 VAL A 82 1.504 3.268 -4.530 1.00 51.00 H new ATOM 0 HG12 VAL A 82 -0.235 3.245 -4.150 1.00 51.00 H new ATOM 0 HG13 VAL A 82 0.922 2.423 -3.076 1.00 51.00 H new ATOM 0 HG21 VAL A 82 2.641 1.224 -5.416 1.00 34.45 H new ATOM 0 HG22 VAL A 82 2.137 0.219 -4.037 1.00 34.45 H new ATOM 0 HG23 VAL A 82 1.725 -0.277 -5.696 1.00 34.45 H new ATOM 1365 N ILE A 83 -2.702 1.307 -3.347 1.00 61.22 N ATOM 1366 CA ILE A 83 -4.015 1.979 -3.296 1.00 21.00 C ATOM 1367 C ILE A 83 -3.793 3.392 -2.730 1.00 12.04 C ATOM 1368 O ILE A 83 -3.586 3.559 -1.533 1.00 64.30 O ATOM 1369 CB ILE A 83 -5.016 1.181 -2.373 1.00 30.40 C ATOM 1370 CG1 ILE A 83 -5.099 -0.315 -2.814 1.00 42.30 C ATOM 1371 CG2 ILE A 83 -6.425 1.837 -2.366 1.00 14.15 C ATOM 1372 CD1 ILE A 83 -5.867 -1.215 -1.860 1.00 4.20 C ATOM 0 H ILE A 83 -2.396 0.933 -2.449 1.00 61.22 H new ATOM 0 HA ILE A 83 -4.450 2.025 -4.295 1.00 21.00 H new ATOM 0 HB ILE A 83 -4.631 1.217 -1.354 1.00 30.40 H new ATOM 0 HG12 ILE A 83 -5.568 -0.365 -3.797 1.00 42.30 H new ATOM 0 HG13 ILE A 83 -4.087 -0.704 -2.924 1.00 42.30 H new ATOM 0 HG21 ILE A 83 -7.090 1.263 -1.721 1.00 14.15 H new ATOM 0 HG22 ILE A 83 -6.349 2.858 -1.992 1.00 14.15 H new ATOM 0 HG23 ILE A 83 -6.825 1.850 -3.380 1.00 14.15 H new ATOM 0 HD11 ILE A 83 -5.873 -2.234 -2.247 1.00 4.20 H new ATOM 0 HD12 ILE A 83 -5.388 -1.201 -0.881 1.00 4.20 H new ATOM 0 HD13 ILE A 83 -6.892 -0.856 -1.767 1.00 4.20 H new ATOM 1384 N LYS A 84 -3.843 4.401 -3.597 1.00 53.43 N ATOM 1385 CA LYS A 84 -3.395 5.761 -3.260 1.00 21.23 C ATOM 1386 C LYS A 84 -4.356 6.834 -3.776 1.00 14.32 C ATOM 1387 O LYS A 84 -4.955 6.706 -4.852 1.00 5.20 O ATOM 1388 CB LYS A 84 -1.923 5.965 -3.728 1.00 74.03 C ATOM 1389 CG LYS A 84 -1.566 5.557 -5.181 1.00 63.50 C ATOM 1390 CD LYS A 84 -1.831 6.670 -6.222 1.00 51.50 C ATOM 1391 CE LYS A 84 -0.973 6.508 -7.490 1.00 13.34 C ATOM 1392 NZ LYS A 84 0.491 6.638 -7.196 1.00 11.31 N ATOM 0 H LYS A 84 -4.193 4.305 -4.550 1.00 53.43 H new ATOM 0 HA LYS A 84 -3.410 5.876 -2.176 1.00 21.23 H new ATOM 0 HB2 LYS A 84 -1.675 7.019 -3.605 1.00 74.03 H new ATOM 0 HB3 LYS A 84 -1.276 5.404 -3.053 1.00 74.03 H new ATOM 0 HG2 LYS A 84 -0.514 5.276 -5.222 1.00 63.50 H new ATOM 0 HG3 LYS A 84 -2.142 4.673 -5.453 1.00 63.50 H new ATOM 0 HD2 LYS A 84 -2.886 6.662 -6.497 1.00 51.50 H new ATOM 0 HD3 LYS A 84 -1.627 7.641 -5.771 1.00 51.50 H new ATOM 0 HE2 LYS A 84 -1.168 5.534 -7.938 1.00 13.34 H new ATOM 0 HE3 LYS A 84 -1.264 7.260 -8.223 1.00 13.34 H new ATOM 0 HZ1 LYS A 84 0.889 7.421 -7.753 1.00 11.31 H new ATOM 0 HZ2 LYS A 84 0.626 6.830 -6.183 1.00 11.31 H new ATOM 0 HZ3 LYS A 84 0.976 5.753 -7.448 1.00 11.31 H new ATOM 1406 N VAL A 85 -4.502 7.890 -2.962 1.00 64.24 N ATOM 1407 CA VAL A 85 -5.341 9.048 -3.256 1.00 51.13 C ATOM 1408 C VAL A 85 -4.550 9.964 -4.188 1.00 4.21 C ATOM 1409 O VAL A 85 -3.572 10.581 -3.753 1.00 23.42 O ATOM 1410 CB VAL A 85 -5.696 9.837 -1.934 1.00 63.34 C ATOM 1411 CG1 VAL A 85 -6.571 11.083 -2.219 1.00 43.23 C ATOM 1412 CG2 VAL A 85 -6.353 8.919 -0.890 1.00 62.43 C ATOM 0 H VAL A 85 -4.027 7.958 -2.062 1.00 64.24 H new ATOM 0 HA VAL A 85 -6.273 8.719 -3.716 1.00 51.13 H new ATOM 0 HB VAL A 85 -4.755 10.195 -1.515 1.00 63.34 H new ATOM 0 HG11 VAL A 85 -6.791 11.595 -1.282 1.00 43.23 H new ATOM 0 HG12 VAL A 85 -6.035 11.759 -2.885 1.00 43.23 H new ATOM 0 HG13 VAL A 85 -7.503 10.773 -2.691 1.00 43.23 H new ATOM 0 HG21 VAL A 85 -6.584 9.494 0.007 1.00 62.43 H new ATOM 0 HG22 VAL A 85 -7.273 8.501 -1.300 1.00 62.43 H new ATOM 0 HG23 VAL A 85 -5.669 8.110 -0.635 1.00 62.43 H new ATOM 1422 N ALA A 86 -4.956 9.986 -5.481 1.00 34.02 N ATOM 1423 CA ALA A 86 -4.254 10.728 -6.536 1.00 23.34 C ATOM 1424 C ALA A 86 -4.133 12.203 -6.187 1.00 0.13 C ATOM 1425 O ALA A 86 -3.026 12.752 -6.192 1.00 42.42 O ATOM 1426 CB ALA A 86 -4.930 10.536 -7.900 1.00 52.02 C ATOM 0 H ALA A 86 -5.781 9.487 -5.813 1.00 34.02 H new ATOM 0 HA ALA A 86 -3.246 10.320 -6.607 1.00 23.34 H new ATOM 0 HB1 ALA A 86 -4.385 11.098 -8.658 1.00 52.02 H new ATOM 0 HB2 ALA A 86 -4.928 9.478 -8.162 1.00 52.02 H new ATOM 0 HB3 ALA A 86 -5.958 10.895 -7.850 1.00 52.02 H new ATOM 1432 N GLN A 87 -5.300 12.830 -5.901 1.00 51.40 N ATOM 1433 CA GLN A 87 -5.391 14.182 -5.311 1.00 64.13 C ATOM 1434 C GLN A 87 -4.707 15.255 -6.216 1.00 44.52 C ATOM 1435 O GLN A 87 -4.423 16.371 -5.767 1.00 3.11 O ATOM 1436 CB GLN A 87 -4.769 14.127 -3.874 1.00 54.32 C ATOM 1437 CG GLN A 87 -5.139 15.287 -2.936 1.00 23.04 C ATOM 1438 CD GLN A 87 -4.460 15.196 -1.567 1.00 65.02 C ATOM 1439 OE1 GLN A 87 -4.196 14.111 -1.041 1.00 33.41 O ATOM 1440 NE2 GLN A 87 -4.152 16.338 -0.984 1.00 43.34 N ATOM 0 H GLN A 87 -6.211 12.405 -6.076 1.00 51.40 H new ATOM 0 HA GLN A 87 -6.435 14.488 -5.239 1.00 64.13 H new ATOM 0 HB2 GLN A 87 -5.075 13.193 -3.403 1.00 54.32 H new ATOM 0 HB3 GLN A 87 -3.684 14.095 -3.970 1.00 54.32 H new ATOM 0 HG2 GLN A 87 -4.864 16.230 -3.409 1.00 23.04 H new ATOM 0 HG3 GLN A 87 -6.220 15.303 -2.798 1.00 23.04 H new ATOM 0 HE21 GLN A 87 -4.381 17.221 -1.440 1.00 43.34 H new ATOM 0 HE22 GLN A 87 -3.685 16.338 -0.077 1.00 43.34 H new ATOM 1449 N ASP A 88 -4.501 14.888 -7.507 1.00 45.44 N ATOM 1450 CA ASP A 88 -3.760 15.681 -8.516 1.00 73.44 C ATOM 1451 C ASP A 88 -2.347 16.080 -7.993 1.00 41.10 C ATOM 1452 O ASP A 88 -2.135 17.202 -7.526 1.00 45.32 O ATOM 1453 CB ASP A 88 -4.603 16.913 -8.973 1.00 70.20 C ATOM 1454 CG ASP A 88 -3.981 17.689 -10.155 1.00 25.13 C ATOM 1455 OD1 ASP A 88 -4.129 17.245 -11.317 1.00 35.34 O ATOM 1456 OD2 ASP A 88 -3.351 18.745 -9.932 1.00 23.44 O ATOM 0 H ASP A 88 -4.856 14.009 -7.882 1.00 45.44 H new ATOM 0 HA ASP A 88 -3.598 15.060 -9.397 1.00 73.44 H new ATOM 0 HB2 ASP A 88 -5.600 16.575 -9.257 1.00 70.20 H new ATOM 0 HB3 ASP A 88 -4.725 17.592 -8.129 1.00 70.20 H new ATOM 1461 N GLN A 89 -1.400 15.115 -8.030 1.00 51.15 N ATOM 1462 CA GLN A 89 -0.025 15.276 -7.485 1.00 4.22 C ATOM 1463 C GLN A 89 0.985 14.675 -8.482 1.00 42.22 C ATOM 1464 O GLN A 89 0.954 13.471 -8.716 1.00 63.01 O ATOM 1465 CB GLN A 89 0.104 14.555 -6.101 1.00 32.14 C ATOM 1466 CG GLN A 89 -0.851 15.065 -4.998 1.00 30.11 C ATOM 1467 CD GLN A 89 -0.629 16.532 -4.618 1.00 11.01 C ATOM 1468 OE1 GLN A 89 0.492 17.047 -4.664 1.00 24.30 O ATOM 1469 NE2 GLN A 89 -1.702 17.226 -4.264 1.00 45.42 N ATOM 0 H GLN A 89 -1.566 14.196 -8.440 1.00 51.15 H new ATOM 0 HA GLN A 89 0.181 16.337 -7.342 1.00 4.22 H new ATOM 0 HB2 GLN A 89 -0.073 13.489 -6.247 1.00 32.14 H new ATOM 0 HB3 GLN A 89 1.130 14.662 -5.748 1.00 32.14 H new ATOM 0 HG2 GLN A 89 -1.880 14.938 -5.334 1.00 30.11 H new ATOM 0 HG3 GLN A 89 -0.728 14.446 -4.109 1.00 30.11 H new ATOM 0 HE21 GLN A 89 -2.616 16.773 -4.235 1.00 45.42 H new ATOM 0 HE22 GLN A 89 -1.614 18.213 -4.021 1.00 45.42 H new ATOM 1478 N GLU A 90 1.884 15.518 -9.028 1.00 61.11 N ATOM 1479 CA GLU A 90 2.806 15.155 -10.136 1.00 31.34 C ATOM 1480 C GLU A 90 3.778 14.015 -9.762 1.00 40.42 C ATOM 1481 O GLU A 90 3.983 13.094 -10.556 1.00 34.24 O ATOM 1482 CB GLU A 90 3.616 16.404 -10.574 1.00 74.41 C ATOM 1483 CG GLU A 90 4.637 16.141 -11.704 1.00 54.51 C ATOM 1484 CD GLU A 90 5.491 17.365 -12.034 1.00 60.34 C ATOM 1485 OE1 GLU A 90 6.365 17.713 -11.212 1.00 60.02 O ATOM 1486 OE2 GLU A 90 5.296 17.989 -13.102 1.00 45.14 O ATOM 0 H GLU A 90 1.996 16.482 -8.713 1.00 61.11 H new ATOM 0 HA GLU A 90 2.187 14.793 -10.957 1.00 31.34 H new ATOM 0 HB2 GLU A 90 2.920 17.176 -10.903 1.00 74.41 H new ATOM 0 HB3 GLU A 90 4.146 16.800 -9.708 1.00 74.41 H new ATOM 0 HG2 GLU A 90 5.289 15.318 -11.413 1.00 54.51 H new ATOM 0 HG3 GLU A 90 4.105 15.824 -12.601 1.00 54.51 H new ATOM 1493 N LEU A 91 4.374 14.109 -8.556 1.00 3.20 N ATOM 1494 CA LEU A 91 5.350 13.109 -8.041 1.00 12.14 C ATOM 1495 C LEU A 91 4.672 11.740 -7.882 1.00 53.41 C ATOM 1496 O LEU A 91 5.269 10.686 -8.140 1.00 63.03 O ATOM 1497 CB LEU A 91 5.955 13.578 -6.679 1.00 61.15 C ATOM 1498 CG LEU A 91 7.009 14.742 -6.742 1.00 72.00 C ATOM 1499 CD1 LEU A 91 8.256 14.327 -7.560 1.00 20.45 C ATOM 1500 CD2 LEU A 91 6.400 16.071 -7.267 1.00 43.34 C ATOM 0 H LEU A 91 4.197 14.876 -7.908 1.00 3.20 H new ATOM 0 HA LEU A 91 6.162 13.017 -8.762 1.00 12.14 H new ATOM 0 HB2 LEU A 91 5.136 13.894 -6.033 1.00 61.15 H new ATOM 0 HB3 LEU A 91 6.425 12.719 -6.201 1.00 61.15 H new ATOM 0 HG LEU A 91 7.328 14.932 -5.717 1.00 72.00 H new ATOM 0 HD11 LEU A 91 8.966 15.153 -7.585 1.00 20.45 H new ATOM 0 HD12 LEU A 91 8.724 13.460 -7.094 1.00 20.45 H new ATOM 0 HD13 LEU A 91 7.956 14.075 -8.577 1.00 20.45 H new ATOM 0 HD21 LEU A 91 7.171 16.841 -7.290 1.00 43.34 H new ATOM 0 HD22 LEU A 91 6.008 15.919 -8.273 1.00 43.34 H new ATOM 0 HD23 LEU A 91 5.592 16.387 -6.607 1.00 43.34 H new ATOM 1512 N LEU A 92 3.399 11.803 -7.489 1.00 43.52 N ATOM 1513 CA LEU A 92 2.530 10.640 -7.314 1.00 43.21 C ATOM 1514 C LEU A 92 2.144 10.036 -8.675 1.00 3.42 C ATOM 1515 O LEU A 92 2.026 8.813 -8.810 1.00 74.04 O ATOM 1516 CB LEU A 92 1.297 11.074 -6.465 1.00 15.33 C ATOM 1517 CG LEU A 92 0.073 10.088 -6.350 1.00 53.04 C ATOM 1518 CD1 LEU A 92 -0.654 10.256 -4.993 1.00 21.22 C ATOM 1519 CD2 LEU A 92 -0.929 10.283 -7.533 1.00 63.35 C ATOM 0 H LEU A 92 2.933 12.686 -7.279 1.00 43.52 H new ATOM 0 HA LEU A 92 3.052 9.847 -6.778 1.00 43.21 H new ATOM 0 HB2 LEU A 92 1.649 11.284 -5.455 1.00 15.33 H new ATOM 0 HB3 LEU A 92 0.927 12.014 -6.875 1.00 15.33 H new ATOM 0 HG LEU A 92 0.468 9.073 -6.405 1.00 53.04 H new ATOM 0 HD11 LEU A 92 -1.494 9.563 -4.942 1.00 21.22 H new ATOM 0 HD12 LEU A 92 0.040 10.045 -4.180 1.00 21.22 H new ATOM 0 HD13 LEU A 92 -1.021 11.278 -4.901 1.00 21.22 H new ATOM 0 HD21 LEU A 92 -1.761 9.588 -7.423 1.00 63.35 H new ATOM 0 HD22 LEU A 92 -1.307 11.305 -7.525 1.00 63.35 H new ATOM 0 HD23 LEU A 92 -0.419 10.092 -8.477 1.00 63.35 H new ATOM 1531 N GLU A 93 1.940 10.922 -9.672 1.00 4.20 N ATOM 1532 CA GLU A 93 1.589 10.544 -11.056 1.00 34.44 C ATOM 1533 C GLU A 93 2.794 9.923 -11.786 1.00 44.14 C ATOM 1534 O GLU A 93 2.617 9.101 -12.696 1.00 30.53 O ATOM 1535 CB GLU A 93 1.054 11.791 -11.810 1.00 52.12 C ATOM 1536 CG GLU A 93 -0.334 12.275 -11.323 1.00 3.25 C ATOM 1537 CD GLU A 93 -0.765 13.610 -11.942 1.00 60.11 C ATOM 1538 OE1 GLU A 93 -0.987 13.657 -13.173 1.00 53.31 O ATOM 1539 OE2 GLU A 93 -0.898 14.623 -11.211 1.00 74.02 O ATOM 0 H GLU A 93 2.015 11.930 -9.537 1.00 4.20 H new ATOM 0 HA GLU A 93 0.807 9.785 -11.030 1.00 34.44 H new ATOM 0 HB2 GLU A 93 1.771 12.605 -11.699 1.00 52.12 H new ATOM 0 HB3 GLU A 93 0.994 11.562 -12.874 1.00 52.12 H new ATOM 0 HG2 GLU A 93 -1.079 11.516 -11.560 1.00 3.25 H new ATOM 0 HG3 GLU A 93 -0.315 12.375 -10.238 1.00 3.25 H new ATOM 1546 N ARG A 94 4.008 10.315 -11.360 1.00 42.15 N ATOM 1547 CA ARG A 94 5.264 9.754 -11.874 1.00 64.41 C ATOM 1548 C ARG A 94 5.409 8.291 -11.422 1.00 30.53 C ATOM 1549 O ARG A 94 5.697 7.408 -12.235 1.00 13.13 O ATOM 1550 CB ARG A 94 6.470 10.610 -11.393 1.00 74.40 C ATOM 1551 CG ARG A 94 7.863 10.036 -11.762 1.00 34.30 C ATOM 1552 CD ARG A 94 8.056 9.852 -13.278 1.00 14.33 C ATOM 1553 NE ARG A 94 9.401 9.359 -13.605 1.00 13.44 N ATOM 1554 CZ ARG A 94 9.910 9.258 -14.841 1.00 51.45 C ATOM 1555 NH1 ARG A 94 9.192 9.609 -15.908 1.00 14.32 N ATOM 1556 NH2 ARG A 94 11.148 8.806 -15.000 1.00 22.52 N ATOM 0 H ARG A 94 4.143 11.032 -10.647 1.00 42.15 H new ATOM 0 HA ARG A 94 5.247 9.775 -12.964 1.00 64.41 H new ATOM 0 HB2 ARG A 94 6.380 11.610 -11.818 1.00 74.40 H new ATOM 0 HB3 ARG A 94 6.412 10.718 -10.310 1.00 74.40 H new ATOM 0 HG2 ARG A 94 8.637 10.703 -11.381 1.00 34.30 H new ATOM 0 HG3 ARG A 94 7.997 9.075 -11.265 1.00 34.30 H new ATOM 0 HD2 ARG A 94 7.311 9.152 -13.656 1.00 14.33 H new ATOM 0 HD3 ARG A 94 7.885 10.803 -13.783 1.00 14.33 H new ATOM 0 HE ARG A 94 9.996 9.070 -12.828 1.00 13.44 H new ATOM 0 HH11 ARG A 94 8.242 9.960 -15.790 1.00 14.32 H new ATOM 0 HH12 ARG A 94 9.593 9.526 -16.842 1.00 14.32 H new ATOM 0 HH21 ARG A 94 11.702 8.540 -14.186 1.00 22.52 H new ATOM 0 HH22 ARG A 94 11.545 8.725 -15.936 1.00 22.52 H new ATOM 1570 N PHE A 95 5.192 8.066 -10.111 1.00 33.13 N ATOM 1571 CA PHE A 95 5.195 6.726 -9.501 1.00 61.24 C ATOM 1572 C PHE A 95 4.080 5.854 -10.107 1.00 41.31 C ATOM 1573 O PHE A 95 4.278 4.659 -10.363 1.00 42.52 O ATOM 1574 CB PHE A 95 5.003 6.851 -7.968 1.00 52.04 C ATOM 1575 CG PHE A 95 4.865 5.515 -7.238 1.00 63.42 C ATOM 1576 CD1 PHE A 95 5.989 4.834 -6.781 1.00 11.14 C ATOM 1577 CD2 PHE A 95 3.607 4.937 -7.017 1.00 32.14 C ATOM 1578 CE1 PHE A 95 5.860 3.629 -6.127 1.00 13.41 C ATOM 1579 CE2 PHE A 95 3.488 3.735 -6.364 1.00 64.12 C ATOM 1580 CZ PHE A 95 4.611 3.083 -5.918 1.00 22.51 C ATOM 0 H PHE A 95 5.009 8.815 -9.443 1.00 33.13 H new ATOM 0 HA PHE A 95 6.153 6.248 -9.705 1.00 61.24 H new ATOM 0 HB2 PHE A 95 5.852 7.393 -7.551 1.00 52.04 H new ATOM 0 HB3 PHE A 95 4.114 7.451 -7.773 1.00 52.04 H new ATOM 0 HD1 PHE A 95 6.971 5.254 -6.941 1.00 11.14 H new ATOM 0 HD2 PHE A 95 2.719 5.444 -7.365 1.00 32.14 H new ATOM 0 HE1 PHE A 95 6.740 3.110 -5.777 1.00 13.41 H new ATOM 0 HE2 PHE A 95 2.512 3.303 -6.201 1.00 64.12 H new ATOM 0 HZ PHE A 95 4.516 2.139 -5.402 1.00 22.51 H new ATOM 1590 N TYR A 96 2.910 6.484 -10.303 1.00 10.04 N ATOM 1591 CA TYR A 96 1.721 5.856 -10.897 1.00 14.15 C ATOM 1592 C TYR A 96 2.081 5.227 -12.253 1.00 22.34 C ATOM 1593 O TYR A 96 1.909 4.029 -12.447 1.00 43.21 O ATOM 1594 CB TYR A 96 0.609 6.936 -11.033 1.00 70.11 C ATOM 1595 CG TYR A 96 -0.637 6.540 -11.838 1.00 23.32 C ATOM 1596 CD1 TYR A 96 -1.542 5.609 -11.340 1.00 10.30 C ATOM 1597 CD2 TYR A 96 -0.911 7.107 -13.088 1.00 20.42 C ATOM 1598 CE1 TYR A 96 -2.673 5.251 -12.052 1.00 65.15 C ATOM 1599 CE2 TYR A 96 -2.040 6.752 -13.803 1.00 61.15 C ATOM 1600 CZ TYR A 96 -2.918 5.823 -13.281 1.00 45.22 C ATOM 1601 OH TYR A 96 -4.050 5.469 -13.993 1.00 11.42 O ATOM 0 H TYR A 96 2.763 7.461 -10.048 1.00 10.04 H new ATOM 0 HA TYR A 96 1.351 5.053 -10.260 1.00 14.15 H new ATOM 0 HB2 TYR A 96 0.290 7.225 -10.032 1.00 70.11 H new ATOM 0 HB3 TYR A 96 1.047 7.820 -11.496 1.00 70.11 H new ATOM 0 HD1 TYR A 96 -1.358 5.156 -10.377 1.00 10.30 H new ATOM 0 HD2 TYR A 96 -0.228 7.835 -13.501 1.00 20.42 H new ATOM 0 HE1 TYR A 96 -3.362 4.525 -11.645 1.00 65.15 H new ATOM 0 HE2 TYR A 96 -2.234 7.200 -14.766 1.00 61.15 H new ATOM 0 HH TYR A 96 -4.073 5.965 -14.838 1.00 11.42 H new ATOM 1611 N GLU A 97 2.684 6.047 -13.124 1.00 42.42 N ATOM 1612 CA GLU A 97 3.072 5.662 -14.491 1.00 33.15 C ATOM 1613 C GLU A 97 4.230 4.635 -14.490 1.00 53.04 C ATOM 1614 O GLU A 97 4.282 3.747 -15.357 1.00 14.23 O ATOM 1615 CB GLU A 97 3.481 6.938 -15.262 1.00 13.24 C ATOM 1616 CG GLU A 97 3.811 6.714 -16.749 1.00 41.00 C ATOM 1617 CD GLU A 97 4.191 8.015 -17.464 1.00 20.45 C ATOM 1618 OE1 GLU A 97 3.299 8.860 -17.697 1.00 45.53 O ATOM 1619 OE2 GLU A 97 5.381 8.215 -17.779 1.00 42.42 O ATOM 0 H GLU A 97 2.921 7.013 -12.897 1.00 42.42 H new ATOM 0 HA GLU A 97 2.223 5.182 -14.979 1.00 33.15 H new ATOM 0 HB2 GLU A 97 2.672 7.665 -15.189 1.00 13.24 H new ATOM 0 HB3 GLU A 97 4.350 7.378 -14.773 1.00 13.24 H new ATOM 0 HG2 GLU A 97 4.633 6.003 -16.833 1.00 41.00 H new ATOM 0 HG3 GLU A 97 2.950 6.267 -17.246 1.00 41.00 H new ATOM 1626 N GLN A 98 5.123 4.767 -13.488 1.00 14.10 N ATOM 1627 CA GLN A 98 6.340 3.946 -13.342 1.00 62.24 C ATOM 1628 C GLN A 98 5.997 2.443 -13.241 1.00 22.04 C ATOM 1629 O GLN A 98 6.497 1.639 -14.025 1.00 44.41 O ATOM 1630 CB GLN A 98 7.125 4.415 -12.076 1.00 30.11 C ATOM 1631 CG GLN A 98 8.391 3.601 -11.730 1.00 21.14 C ATOM 1632 CD GLN A 98 9.483 3.699 -12.792 1.00 32.14 C ATOM 1633 OE1 GLN A 98 10.334 4.592 -12.743 1.00 72.32 O ATOM 1634 NE2 GLN A 98 9.475 2.786 -13.755 1.00 61.01 N ATOM 0 H GLN A 98 5.016 5.459 -12.746 1.00 14.10 H new ATOM 0 HA GLN A 98 6.961 4.078 -14.228 1.00 62.24 H new ATOM 0 HB2 GLN A 98 7.413 5.457 -12.216 1.00 30.11 H new ATOM 0 HB3 GLN A 98 6.450 4.383 -11.221 1.00 30.11 H new ATOM 0 HG2 GLN A 98 8.789 3.949 -10.777 1.00 21.14 H new ATOM 0 HG3 GLN A 98 8.116 2.555 -11.597 1.00 21.14 H new ATOM 0 HE21 GLN A 98 8.757 2.062 -13.765 1.00 61.01 H new ATOM 0 HE22 GLN A 98 10.187 2.808 -14.485 1.00 61.01 H new ATOM 1643 N LEU A 99 5.096 2.103 -12.307 1.00 23.54 N ATOM 1644 CA LEU A 99 4.699 0.704 -12.025 1.00 10.21 C ATOM 1645 C LEU A 99 3.864 0.120 -13.166 1.00 11.54 C ATOM 1646 O LEU A 99 3.913 -1.084 -13.421 1.00 15.23 O ATOM 1647 CB LEU A 99 3.941 0.605 -10.671 1.00 45.54 C ATOM 1648 CG LEU A 99 4.842 0.622 -9.391 1.00 44.53 C ATOM 1649 CD1 LEU A 99 5.630 1.934 -9.271 1.00 65.22 C ATOM 1650 CD2 LEU A 99 4.010 0.343 -8.127 1.00 12.23 C ATOM 0 H LEU A 99 4.618 2.788 -11.722 1.00 23.54 H new ATOM 0 HA LEU A 99 5.610 0.110 -11.947 1.00 10.21 H new ATOM 0 HB2 LEU A 99 3.235 1.433 -10.608 1.00 45.54 H new ATOM 0 HB3 LEU A 99 3.355 -0.314 -10.669 1.00 45.54 H new ATOM 0 HG LEU A 99 5.573 -0.181 -9.490 1.00 44.53 H new ATOM 0 HD11 LEU A 99 6.244 1.909 -8.371 1.00 65.22 H new ATOM 0 HD12 LEU A 99 6.271 2.054 -10.144 1.00 65.22 H new ATOM 0 HD13 LEU A 99 4.935 2.772 -9.213 1.00 65.22 H new ATOM 0 HD21 LEU A 99 4.660 0.360 -7.252 1.00 12.23 H new ATOM 0 HD22 LEU A 99 3.240 1.107 -8.022 1.00 12.23 H new ATOM 0 HD23 LEU A 99 3.540 -0.637 -8.210 1.00 12.23 H new ATOM 1662 N LYS A 100 3.104 0.992 -13.844 1.00 54.24 N ATOM 1663 CA LYS A 100 2.269 0.619 -15.001 1.00 35.21 C ATOM 1664 C LYS A 100 3.151 0.222 -16.206 1.00 45.43 C ATOM 1665 O LYS A 100 2.747 -0.600 -17.033 1.00 23.53 O ATOM 1666 CB LYS A 100 1.329 1.805 -15.341 1.00 61.24 C ATOM 1667 CG LYS A 100 0.342 2.149 -14.199 1.00 32.10 C ATOM 1668 CD LYS A 100 -0.811 1.127 -14.040 1.00 5.30 C ATOM 1669 CE LYS A 100 -1.822 1.201 -15.195 1.00 32.04 C ATOM 1670 NZ LYS A 100 -2.898 0.189 -15.057 1.00 3.24 N ATOM 0 H LYS A 100 3.049 1.982 -13.606 1.00 54.24 H new ATOM 0 HA LYS A 100 1.661 -0.252 -14.755 1.00 35.21 H new ATOM 0 HB2 LYS A 100 1.932 2.684 -15.568 1.00 61.24 H new ATOM 0 HB3 LYS A 100 0.763 1.565 -16.241 1.00 61.24 H new ATOM 0 HG2 LYS A 100 0.893 2.209 -13.261 1.00 32.10 H new ATOM 0 HG3 LYS A 100 -0.083 3.136 -14.383 1.00 32.10 H new ATOM 0 HD2 LYS A 100 -0.396 0.120 -13.988 1.00 5.30 H new ATOM 0 HD3 LYS A 100 -1.327 1.309 -13.097 1.00 5.30 H new ATOM 0 HE2 LYS A 100 -2.263 2.197 -15.227 1.00 32.04 H new ATOM 0 HE3 LYS A 100 -1.303 1.051 -16.142 1.00 32.04 H new ATOM 0 HZ1 LYS A 100 -3.558 0.273 -15.856 1.00 3.24 H new ATOM 0 HZ2 LYS A 100 -2.480 -0.763 -15.052 1.00 3.24 H new ATOM 0 HZ3 LYS A 100 -3.411 0.347 -14.166 1.00 3.24 H new ATOM 1684 N LYS A 101 4.361 0.817 -16.275 1.00 4.32 N ATOM 1685 CA LYS A 101 5.393 0.453 -17.266 1.00 44.13 C ATOM 1686 C LYS A 101 5.961 -0.944 -16.951 1.00 14.34 C ATOM 1687 O LYS A 101 6.097 -1.785 -17.849 1.00 23.45 O ATOM 1688 CB LYS A 101 6.548 1.492 -17.253 1.00 31.42 C ATOM 1689 CG LYS A 101 7.704 1.197 -18.252 1.00 22.13 C ATOM 1690 CD LYS A 101 8.964 2.060 -17.999 1.00 11.23 C ATOM 1691 CE LYS A 101 8.665 3.564 -17.970 1.00 23.54 C ATOM 1692 NZ LYS A 101 9.893 4.378 -17.788 1.00 60.54 N ATOM 0 H LYS A 101 4.649 1.564 -15.643 1.00 4.32 H new ATOM 0 HA LYS A 101 4.932 0.443 -18.253 1.00 44.13 H new ATOM 0 HB2 LYS A 101 6.135 2.476 -17.477 1.00 31.42 H new ATOM 0 HB3 LYS A 101 6.961 1.542 -16.246 1.00 31.42 H new ATOM 0 HG2 LYS A 101 7.974 0.143 -18.184 1.00 22.13 H new ATOM 0 HG3 LYS A 101 7.350 1.371 -19.268 1.00 22.13 H new ATOM 0 HD2 LYS A 101 9.414 1.766 -17.051 1.00 11.23 H new ATOM 0 HD3 LYS A 101 9.699 1.856 -18.777 1.00 11.23 H new ATOM 0 HE2 LYS A 101 8.175 3.853 -18.900 1.00 23.54 H new ATOM 0 HE3 LYS A 101 7.966 3.778 -17.161 1.00 23.54 H new ATOM 0 HZ1 LYS A 101 9.642 5.387 -17.775 1.00 60.54 H new ATOM 0 HZ2 LYS A 101 10.349 4.123 -16.889 1.00 60.54 H new ATOM 0 HZ3 LYS A 101 10.550 4.195 -18.573 1.00 60.54 H new ATOM 1706 N ASP A 102 6.295 -1.162 -15.663 1.00 73.20 N ATOM 1707 CA ASP A 102 6.894 -2.426 -15.178 1.00 24.22 C ATOM 1708 C ASP A 102 5.915 -3.608 -15.307 1.00 53.01 C ATOM 1709 O ASP A 102 6.318 -4.722 -15.651 1.00 40.30 O ATOM 1710 CB ASP A 102 7.373 -2.277 -13.701 1.00 32.32 C ATOM 1711 CG ASP A 102 8.644 -1.408 -13.573 1.00 42.03 C ATOM 1712 OD1 ASP A 102 9.763 -1.954 -13.721 1.00 23.40 O ATOM 1713 OD2 ASP A 102 8.534 -0.182 -13.353 1.00 23.21 O ATOM 0 H ASP A 102 6.158 -0.468 -14.928 1.00 73.20 H new ATOM 0 HA ASP A 102 7.757 -2.640 -15.808 1.00 24.22 H new ATOM 0 HB2 ASP A 102 6.574 -1.835 -13.107 1.00 32.32 H new ATOM 0 HB3 ASP A 102 7.570 -3.265 -13.285 1.00 32.32 H new ATOM 1718 N GLY A 103 4.631 -3.344 -15.045 1.00 11.12 N ATOM 1719 CA GLY A 103 3.592 -4.375 -15.060 1.00 33.02 C ATOM 1720 C GLY A 103 3.092 -4.656 -13.656 1.00 61.31 C ATOM 1721 O GLY A 103 3.145 -5.792 -13.177 1.00 30.34 O ATOM 0 H GLY A 103 4.285 -2.412 -14.817 1.00 11.12 H new ATOM 0 HA2 GLY A 103 2.762 -4.052 -15.689 1.00 33.02 H new ATOM 0 HA3 GLY A 103 3.988 -5.290 -15.500 1.00 33.02 H new ATOM 1725 N VAL A 104 2.644 -3.581 -12.984 1.00 4.14 N ATOM 1726 CA VAL A 104 2.160 -3.606 -11.587 1.00 54.04 C ATOM 1727 C VAL A 104 0.910 -2.714 -11.490 1.00 12.34 C ATOM 1728 O VAL A 104 0.802 -1.715 -12.218 1.00 53.21 O ATOM 1729 CB VAL A 104 3.261 -3.083 -10.578 1.00 2.35 C ATOM 1730 CG1 VAL A 104 2.770 -3.108 -9.111 1.00 61.03 C ATOM 1731 CG2 VAL A 104 4.581 -3.870 -10.718 1.00 52.40 C ATOM 0 H VAL A 104 2.606 -2.651 -13.402 1.00 4.14 H new ATOM 0 HA VAL A 104 1.926 -4.636 -11.316 1.00 54.04 H new ATOM 0 HB VAL A 104 3.452 -2.044 -10.845 1.00 2.35 H new ATOM 0 HG11 VAL A 104 3.560 -2.740 -8.457 1.00 61.03 H new ATOM 0 HG12 VAL A 104 1.890 -2.472 -9.011 1.00 61.03 H new ATOM 0 HG13 VAL A 104 2.513 -4.129 -8.831 1.00 61.03 H new ATOM 0 HG21 VAL A 104 5.313 -3.482 -10.009 1.00 52.40 H new ATOM 0 HG22 VAL A 104 4.399 -4.925 -10.512 1.00 52.40 H new ATOM 0 HG23 VAL A 104 4.965 -3.760 -11.732 1.00 52.40 H new ATOM 1741 N ASP A 105 -0.026 -3.069 -10.590 1.00 14.32 N ATOM 1742 CA ASP A 105 -1.290 -2.336 -10.421 1.00 72.13 C ATOM 1743 C ASP A 105 -1.186 -1.286 -9.310 1.00 74.14 C ATOM 1744 O ASP A 105 -0.819 -1.591 -8.176 1.00 1.44 O ATOM 1745 CB ASP A 105 -2.466 -3.305 -10.147 1.00 54.34 C ATOM 1746 CG ASP A 105 -2.849 -4.092 -11.404 1.00 21.31 C ATOM 1747 OD1 ASP A 105 -2.285 -5.174 -11.648 1.00 71.02 O ATOM 1748 OD2 ASP A 105 -3.701 -3.609 -12.175 1.00 3.12 O ATOM 0 H ASP A 105 0.074 -3.868 -9.964 1.00 14.32 H new ATOM 0 HA ASP A 105 -1.489 -1.814 -11.357 1.00 72.13 H new ATOM 0 HB2 ASP A 105 -2.190 -3.998 -9.352 1.00 54.34 H new ATOM 0 HB3 ASP A 105 -3.329 -2.741 -9.793 1.00 54.34 H new ATOM 1753 N VAL A 106 -1.490 -0.044 -9.693 1.00 63.11 N ATOM 1754 CA VAL A 106 -1.680 1.101 -8.793 1.00 35.33 C ATOM 1755 C VAL A 106 -3.144 1.573 -8.930 1.00 41.43 C ATOM 1756 O VAL A 106 -3.583 1.975 -10.018 1.00 40.11 O ATOM 1757 CB VAL A 106 -0.684 2.292 -9.134 1.00 3.32 C ATOM 1758 CG1 VAL A 106 0.721 2.061 -8.554 1.00 3.33 C ATOM 1759 CG2 VAL A 106 -0.583 2.501 -10.654 1.00 23.22 C ATOM 0 H VAL A 106 -1.616 0.203 -10.674 1.00 63.11 H new ATOM 0 HA VAL A 106 -1.465 0.793 -7.770 1.00 35.33 H new ATOM 0 HB VAL A 106 -1.098 3.187 -8.669 1.00 3.32 H new ATOM 0 HG11 VAL A 106 1.365 2.902 -8.814 1.00 3.33 H new ATOM 0 HG12 VAL A 106 0.657 1.975 -7.469 1.00 3.33 H new ATOM 0 HG13 VAL A 106 1.139 1.143 -8.967 1.00 3.33 H new ATOM 0 HG21 VAL A 106 0.104 3.321 -10.864 1.00 23.22 H new ATOM 0 HG22 VAL A 106 -0.213 1.589 -11.123 1.00 23.22 H new ATOM 0 HG23 VAL A 106 -1.568 2.741 -11.054 1.00 23.22 H new ATOM 1769 N ARG A 107 -3.904 1.478 -7.837 1.00 61.44 N ATOM 1770 CA ARG A 107 -5.290 1.950 -7.775 1.00 53.25 C ATOM 1771 C ARG A 107 -5.322 3.421 -7.353 1.00 45.03 C ATOM 1772 O ARG A 107 -4.975 3.743 -6.215 1.00 73.10 O ATOM 1773 CB ARG A 107 -6.116 1.093 -6.764 1.00 24.52 C ATOM 1774 CG ARG A 107 -6.221 -0.412 -7.102 1.00 53.41 C ATOM 1775 CD ARG A 107 -6.693 -0.664 -8.544 1.00 51.41 C ATOM 1776 NE ARG A 107 -7.872 0.146 -8.889 1.00 1.04 N ATOM 1777 CZ ARG A 107 -8.451 0.210 -10.094 1.00 54.20 C ATOM 1778 NH1 ARG A 107 -7.986 -0.492 -11.122 1.00 44.05 N ATOM 1779 NH2 ARG A 107 -9.466 1.036 -10.265 1.00 53.20 N ATOM 0 H ARG A 107 -3.573 1.068 -6.963 1.00 61.44 H new ATOM 0 HA ARG A 107 -5.735 1.849 -8.765 1.00 53.25 H new ATOM 0 HB2 ARG A 107 -5.668 1.196 -5.776 1.00 24.52 H new ATOM 0 HB3 ARG A 107 -7.123 1.505 -6.702 1.00 24.52 H new ATOM 0 HG2 ARG A 107 -5.249 -0.882 -6.955 1.00 53.41 H new ATOM 0 HG3 ARG A 107 -6.914 -0.889 -6.409 1.00 53.41 H new ATOM 0 HD2 ARG A 107 -5.882 -0.436 -9.236 1.00 51.41 H new ATOM 0 HD3 ARG A 107 -6.930 -1.721 -8.668 1.00 51.41 H new ATOM 0 HE ARG A 107 -8.284 0.708 -8.144 1.00 1.04 H new ATOM 0 HH11 ARG A 107 -7.172 -1.095 -11.001 1.00 44.05 H new ATOM 0 HH12 ARG A 107 -8.443 -0.428 -12.032 1.00 44.05 H new ATOM 0 HH21 ARG A 107 -9.794 1.609 -9.487 1.00 53.20 H new ATOM 0 HH22 ARG A 107 -9.923 1.101 -11.175 1.00 53.20 H new ATOM 1793 N VAL A 108 -5.695 4.317 -8.283 1.00 62.14 N ATOM 1794 CA VAL A 108 -6.011 5.712 -7.944 1.00 73.33 C ATOM 1795 C VAL A 108 -7.483 5.795 -7.528 1.00 10.24 C ATOM 1796 O VAL A 108 -8.390 5.510 -8.313 1.00 4.43 O ATOM 1797 CB VAL A 108 -5.698 6.738 -9.116 1.00 31.13 C ATOM 1798 CG1 VAL A 108 -4.176 6.961 -9.258 1.00 2.24 C ATOM 1799 CG2 VAL A 108 -6.320 6.299 -10.473 1.00 70.11 C ATOM 0 H VAL A 108 -5.785 4.098 -9.275 1.00 62.14 H new ATOM 0 HA VAL A 108 -5.362 6.007 -7.120 1.00 73.33 H new ATOM 0 HB VAL A 108 -6.167 7.683 -8.843 1.00 31.13 H new ATOM 0 HG11 VAL A 108 -3.986 7.667 -10.066 1.00 2.24 H new ATOM 0 HG12 VAL A 108 -3.778 7.361 -8.325 1.00 2.24 H new ATOM 0 HG13 VAL A 108 -3.689 6.012 -9.483 1.00 2.24 H new ATOM 0 HG21 VAL A 108 -6.076 7.034 -11.240 1.00 70.11 H new ATOM 0 HG22 VAL A 108 -5.917 5.328 -10.761 1.00 70.11 H new ATOM 0 HG23 VAL A 108 -7.403 6.227 -10.371 1.00 70.11 H new ATOM 1809 N THR A 109 -7.695 6.116 -6.254 1.00 72.14 N ATOM 1810 CA THR A 109 -9.026 6.361 -5.693 1.00 33.11 C ATOM 1811 C THR A 109 -9.405 7.840 -5.903 1.00 71.34 C ATOM 1812 O THR A 109 -10.593 8.187 -5.946 1.00 40.33 O ATOM 1813 CB THR A 109 -9.042 5.994 -4.188 1.00 64.34 C ATOM 1814 OG1 THR A 109 -8.041 6.766 -3.496 1.00 70.14 O ATOM 1815 CG2 THR A 109 -8.776 4.492 -3.978 1.00 62.45 C ATOM 0 H THR A 109 -6.942 6.215 -5.573 1.00 72.14 H new ATOM 0 HA THR A 109 -9.760 5.736 -6.202 1.00 33.11 H new ATOM 0 HB THR A 109 -10.030 6.222 -3.788 1.00 64.34 H new ATOM 0 HG1 THR A 109 -8.462 7.543 -3.073 1.00 70.14 H new ATOM 0 HG21 THR A 109 -8.793 4.265 -2.912 1.00 62.45 H new ATOM 0 HG22 THR A 109 -9.547 3.912 -4.485 1.00 62.45 H new ATOM 0 HG23 THR A 109 -7.799 4.235 -4.388 1.00 62.45 H new ATOM 1823 N ASP A 110 -8.343 8.687 -6.037 1.00 70.21 N ATOM 1824 CA ASP A 110 -8.408 10.127 -6.405 1.00 10.30 C ATOM 1825 C ASP A 110 -8.910 11.004 -5.245 1.00 23.20 C ATOM 1826 O ASP A 110 -8.225 11.950 -4.833 1.00 10.42 O ATOM 1827 CB ASP A 110 -9.233 10.377 -7.701 1.00 50.41 C ATOM 1828 CG ASP A 110 -8.759 9.517 -8.888 1.00 74.53 C ATOM 1829 OD1 ASP A 110 -7.696 9.820 -9.464 1.00 71.21 O ATOM 1830 OD2 ASP A 110 -9.453 8.539 -9.259 1.00 54.31 O ATOM 0 H ASP A 110 -7.385 8.371 -5.885 1.00 70.21 H new ATOM 0 HA ASP A 110 -7.382 10.427 -6.618 1.00 10.30 H new ATOM 0 HB2 ASP A 110 -10.284 10.166 -7.503 1.00 50.41 H new ATOM 0 HB3 ASP A 110 -9.164 11.431 -7.972 1.00 50.41 H new ATOM 1835 N ASN A 111 -10.117 10.703 -4.760 1.00 31.43 N ATOM 1836 CA ASN A 111 -10.668 11.285 -3.532 1.00 52.21 C ATOM 1837 C ASN A 111 -10.237 10.434 -2.319 1.00 34.40 C ATOM 1838 O ASN A 111 -9.914 9.243 -2.448 1.00 54.41 O ATOM 1839 CB ASN A 111 -12.212 11.381 -3.658 1.00 1.21 C ATOM 1840 CG ASN A 111 -12.935 11.878 -2.398 1.00 51.04 C ATOM 1841 OD1 ASN A 111 -13.330 11.089 -1.535 1.00 54.43 O ATOM 1842 ND2 ASN A 111 -13.092 13.181 -2.267 1.00 32.20 N ATOM 0 H ASN A 111 -10.747 10.041 -5.213 1.00 31.43 H new ATOM 0 HA ASN A 111 -10.282 12.293 -3.381 1.00 52.21 H new ATOM 0 HB2 ASN A 111 -12.453 12.049 -4.485 1.00 1.21 H new ATOM 0 HB3 ASN A 111 -12.602 10.397 -3.919 1.00 1.21 H new ATOM 0 HD21 ASN A 111 -13.549 13.559 -1.437 1.00 32.20 H new ATOM 0 HD22 ASN A 111 -12.756 13.811 -2.996 1.00 32.20 H new ATOM 1849 N GLU A 112 -10.270 11.073 -1.154 1.00 73.42 N ATOM 1850 CA GLU A 112 -9.695 10.571 0.100 1.00 41.03 C ATOM 1851 C GLU A 112 -10.630 9.555 0.759 1.00 70.11 C ATOM 1852 O GLU A 112 -10.193 8.509 1.255 1.00 63.32 O ATOM 1853 CB GLU A 112 -9.427 11.762 1.067 1.00 21.22 C ATOM 1854 CG GLU A 112 -8.703 12.974 0.415 1.00 32.03 C ATOM 1855 CD GLU A 112 -9.623 13.918 -0.386 1.00 41.53 C ATOM 1856 OE1 GLU A 112 -10.426 14.647 0.232 1.00 10.21 O ATOM 1857 OE2 GLU A 112 -9.564 13.925 -1.637 1.00 25.15 O ATOM 0 H GLU A 112 -10.712 11.986 -1.048 1.00 73.42 H new ATOM 0 HA GLU A 112 -8.754 10.069 -0.124 1.00 41.03 H new ATOM 0 HB2 GLU A 112 -10.378 12.101 1.477 1.00 21.22 H new ATOM 0 HB3 GLU A 112 -8.828 11.405 1.905 1.00 21.22 H new ATOM 0 HG2 GLU A 112 -8.208 13.549 1.198 1.00 32.03 H new ATOM 0 HG3 GLU A 112 -7.922 12.600 -0.248 1.00 32.03 H new ATOM 1864 N ASP A 113 -11.926 9.898 0.757 1.00 14.15 N ATOM 1865 CA ASP A 113 -12.998 9.049 1.295 1.00 51.14 C ATOM 1866 C ASP A 113 -13.219 7.834 0.394 1.00 14.32 C ATOM 1867 O ASP A 113 -13.644 6.781 0.875 1.00 3.42 O ATOM 1868 CB ASP A 113 -14.302 9.857 1.475 1.00 45.31 C ATOM 1869 CG ASP A 113 -14.126 10.993 2.490 1.00 23.52 C ATOM 1870 OD1 ASP A 113 -14.357 10.759 3.697 1.00 34.31 O ATOM 1871 OD2 ASP A 113 -13.732 12.113 2.092 1.00 10.31 O ATOM 0 H ASP A 113 -12.263 10.783 0.377 1.00 14.15 H new ATOM 0 HA ASP A 113 -12.694 8.690 2.278 1.00 51.14 H new ATOM 0 HB2 ASP A 113 -14.610 10.271 0.515 1.00 45.31 H new ATOM 0 HB3 ASP A 113 -15.100 9.192 1.806 1.00 45.31 H new ATOM 1876 N GLU A 114 -12.941 7.996 -0.922 1.00 23.22 N ATOM 1877 CA GLU A 114 -12.950 6.875 -1.880 1.00 22.34 C ATOM 1878 C GLU A 114 -11.901 5.816 -1.499 1.00 61.14 C ATOM 1879 O GLU A 114 -12.143 4.625 -1.678 1.00 13.55 O ATOM 1880 CB GLU A 114 -12.728 7.349 -3.340 1.00 62.20 C ATOM 1881 CG GLU A 114 -13.917 8.129 -3.937 1.00 42.12 C ATOM 1882 CD GLU A 114 -15.251 7.349 -3.901 1.00 40.55 C ATOM 1883 OE1 GLU A 114 -15.329 6.254 -4.490 1.00 31.51 O ATOM 1884 OE2 GLU A 114 -16.224 7.823 -3.278 1.00 10.20 O ATOM 0 H GLU A 114 -12.708 8.896 -1.341 1.00 23.22 H new ATOM 0 HA GLU A 114 -13.941 6.425 -1.827 1.00 22.34 H new ATOM 0 HB2 GLU A 114 -11.840 7.980 -3.375 1.00 62.20 H new ATOM 0 HB3 GLU A 114 -12.527 6.480 -3.966 1.00 62.20 H new ATOM 0 HG2 GLU A 114 -14.038 9.064 -3.390 1.00 42.12 H new ATOM 0 HG3 GLU A 114 -13.687 8.391 -4.970 1.00 42.12 H new ATOM 1891 N ALA A 115 -10.748 6.263 -0.965 1.00 44.22 N ATOM 1892 CA ALA A 115 -9.697 5.352 -0.470 1.00 31.41 C ATOM 1893 C ALA A 115 -10.122 4.692 0.842 1.00 64.43 C ATOM 1894 O ALA A 115 -9.940 3.494 1.016 1.00 53.21 O ATOM 1895 CB ALA A 115 -8.374 6.096 -0.291 1.00 34.24 C ATOM 0 H ALA A 115 -10.520 7.252 -0.865 1.00 44.22 H new ATOM 0 HA ALA A 115 -9.552 4.570 -1.215 1.00 31.41 H new ATOM 0 HB1 ALA A 115 -7.614 5.405 0.074 1.00 34.24 H new ATOM 0 HB2 ALA A 115 -8.057 6.510 -1.248 1.00 34.24 H new ATOM 0 HB3 ALA A 115 -8.505 6.904 0.429 1.00 34.24 H new ATOM 1901 N LYS A 116 -10.724 5.503 1.734 1.00 32.31 N ATOM 1902 CA LYS A 116 -11.202 5.081 3.063 1.00 13.31 C ATOM 1903 C LYS A 116 -12.180 3.899 2.970 1.00 14.23 C ATOM 1904 O LYS A 116 -11.983 2.863 3.617 1.00 31.22 O ATOM 1905 CB LYS A 116 -11.872 6.316 3.699 1.00 14.24 C ATOM 1906 CG LYS A 116 -12.517 6.123 5.084 1.00 65.42 C ATOM 1907 CD LYS A 116 -13.181 7.430 5.573 1.00 1.32 C ATOM 1908 CE LYS A 116 -12.162 8.553 5.847 1.00 32.13 C ATOM 1909 NZ LYS A 116 -12.818 9.859 6.127 1.00 5.25 N ATOM 0 H LYS A 116 -10.895 6.491 1.545 1.00 32.31 H new ATOM 0 HA LYS A 116 -10.372 4.727 3.674 1.00 13.31 H new ATOM 0 HB2 LYS A 116 -11.123 7.104 3.780 1.00 14.24 H new ATOM 0 HB3 LYS A 116 -12.640 6.676 3.014 1.00 14.24 H new ATOM 0 HG2 LYS A 116 -13.262 5.329 5.035 1.00 65.42 H new ATOM 0 HG3 LYS A 116 -11.760 5.805 5.801 1.00 65.42 H new ATOM 0 HD2 LYS A 116 -13.897 7.770 4.825 1.00 1.32 H new ATOM 0 HD3 LYS A 116 -13.744 7.227 6.484 1.00 1.32 H new ATOM 0 HE2 LYS A 116 -11.538 8.274 6.696 1.00 32.13 H new ATOM 0 HE3 LYS A 116 -11.502 8.658 4.986 1.00 32.13 H new ATOM 0 HZ1 LYS A 116 -12.118 10.522 6.517 1.00 5.25 H new ATOM 0 HZ2 LYS A 116 -13.209 10.247 5.245 1.00 5.25 H new ATOM 0 HZ3 LYS A 116 -13.586 9.721 6.815 1.00 5.25 H new ATOM 1923 N LYS A 117 -13.206 4.062 2.123 1.00 41.55 N ATOM 1924 CA LYS A 117 -14.212 3.023 1.887 1.00 32.24 C ATOM 1925 C LYS A 117 -13.587 1.822 1.154 1.00 10.53 C ATOM 1926 O LYS A 117 -13.974 0.688 1.406 1.00 74.42 O ATOM 1927 CB LYS A 117 -15.418 3.593 1.092 1.00 52.53 C ATOM 1928 CG LYS A 117 -15.072 4.135 -0.317 1.00 13.24 C ATOM 1929 CD LYS A 117 -16.242 4.885 -0.995 1.00 41.10 C ATOM 1930 CE LYS A 117 -17.446 3.983 -1.296 1.00 11.12 C ATOM 1931 NZ LYS A 117 -18.584 4.756 -1.857 1.00 22.12 N ATOM 0 H LYS A 117 -13.360 4.915 1.585 1.00 41.55 H new ATOM 0 HA LYS A 117 -14.581 2.677 2.853 1.00 32.24 H new ATOM 0 HB2 LYS A 117 -16.170 2.810 0.990 1.00 52.53 H new ATOM 0 HB3 LYS A 117 -15.871 4.396 1.673 1.00 52.53 H new ATOM 0 HG2 LYS A 117 -14.217 4.807 -0.239 1.00 13.24 H new ATOM 0 HG3 LYS A 117 -14.767 3.304 -0.952 1.00 13.24 H new ATOM 0 HD2 LYS A 117 -16.562 5.704 -0.351 1.00 41.10 H new ATOM 0 HD3 LYS A 117 -15.889 5.331 -1.925 1.00 41.10 H new ATOM 0 HE2 LYS A 117 -17.151 3.206 -2.001 1.00 11.12 H new ATOM 0 HE3 LYS A 117 -17.762 3.481 -0.382 1.00 11.12 H new ATOM 0 HZ1 LYS A 117 -19.379 4.114 -2.048 1.00 22.12 H new ATOM 0 HZ2 LYS A 117 -18.881 5.482 -1.174 1.00 22.12 H new ATOM 0 HZ3 LYS A 117 -18.289 5.215 -2.743 1.00 22.12 H new ATOM 1945 N ARG A 118 -12.597 2.093 0.269 1.00 21.21 N ATOM 1946 CA ARG A 118 -11.913 1.053 -0.534 1.00 72.04 C ATOM 1947 C ARG A 118 -10.987 0.185 0.319 1.00 41.04 C ATOM 1948 O ARG A 118 -10.751 -0.962 -0.035 1.00 13.21 O ATOM 1949 CB ARG A 118 -11.122 1.665 -1.745 1.00 71.43 C ATOM 1950 CG ARG A 118 -11.764 1.370 -3.115 1.00 34.03 C ATOM 1951 CD ARG A 118 -13.185 1.947 -3.257 1.00 60.25 C ATOM 1952 NE ARG A 118 -13.836 1.476 -4.485 1.00 11.22 N ATOM 1953 CZ ARG A 118 -14.639 2.201 -5.267 1.00 15.14 C ATOM 1954 NH1 ARG A 118 -14.918 3.468 -4.979 1.00 42.33 N ATOM 1955 NH2 ARG A 118 -15.169 1.643 -6.337 1.00 51.43 N ATOM 0 H ARG A 118 -12.252 3.037 0.093 1.00 21.21 H new ATOM 0 HA ARG A 118 -12.701 0.415 -0.934 1.00 72.04 H new ATOM 0 HB2 ARG A 118 -11.049 2.744 -1.612 1.00 71.43 H new ATOM 0 HB3 ARG A 118 -10.105 1.274 -1.738 1.00 71.43 H new ATOM 0 HG2 ARG A 118 -11.132 1.782 -3.901 1.00 34.03 H new ATOM 0 HG3 ARG A 118 -11.800 0.291 -3.267 1.00 34.03 H new ATOM 0 HD2 ARG A 118 -13.784 1.659 -2.393 1.00 60.25 H new ATOM 0 HD3 ARG A 118 -13.138 3.036 -3.264 1.00 60.25 H new ATOM 0 HE ARG A 118 -13.660 0.511 -4.765 1.00 11.22 H new ATOM 0 HH11 ARG A 118 -14.516 3.903 -4.148 1.00 42.33 H new ATOM 0 HH12 ARG A 118 -15.534 4.006 -5.589 1.00 42.33 H new ATOM 0 HH21 ARG A 118 -14.964 0.669 -6.559 1.00 51.43 H new ATOM 0 HH22 ARG A 118 -15.784 2.185 -6.943 1.00 51.43 H new ATOM 1969 N LEU A 119 -10.454 0.734 1.427 1.00 65.11 N ATOM 1970 CA LEU A 119 -9.556 -0.034 2.308 1.00 12.30 C ATOM 1971 C LEU A 119 -10.305 -1.202 2.919 1.00 42.03 C ATOM 1972 O LEU A 119 -9.808 -2.314 2.906 1.00 30.40 O ATOM 1973 CB LEU A 119 -8.914 0.851 3.404 1.00 2.23 C ATOM 1974 CG LEU A 119 -7.955 1.961 2.878 1.00 0.11 C ATOM 1975 CD1 LEU A 119 -7.154 2.593 4.018 1.00 42.35 C ATOM 1976 CD2 LEU A 119 -7.033 1.424 1.760 1.00 72.02 C ATOM 0 H LEU A 119 -10.627 1.693 1.730 1.00 65.11 H new ATOM 0 HA LEU A 119 -8.738 -0.417 1.698 1.00 12.30 H new ATOM 0 HB2 LEU A 119 -9.710 1.323 3.981 1.00 2.23 H new ATOM 0 HB3 LEU A 119 -8.361 0.209 4.090 1.00 2.23 H new ATOM 0 HG LEU A 119 -8.569 2.748 2.441 1.00 0.11 H new ATOM 0 HD11 LEU A 119 -6.495 3.363 3.617 1.00 42.35 H new ATOM 0 HD12 LEU A 119 -7.838 3.041 4.739 1.00 42.35 H new ATOM 0 HD13 LEU A 119 -6.557 1.826 4.512 1.00 42.35 H new ATOM 0 HD21 LEU A 119 -6.377 2.223 1.415 1.00 72.02 H new ATOM 0 HD22 LEU A 119 -6.431 0.602 2.148 1.00 72.02 H new ATOM 0 HD23 LEU A 119 -7.640 1.068 0.928 1.00 72.02 H new ATOM 1988 N LYS A 120 -11.523 -0.923 3.394 1.00 44.31 N ATOM 1989 CA LYS A 120 -12.420 -1.932 3.963 1.00 71.12 C ATOM 1990 C LYS A 120 -12.991 -2.853 2.853 1.00 73.33 C ATOM 1991 O LYS A 120 -12.950 -4.075 2.974 1.00 31.21 O ATOM 1992 CB LYS A 120 -13.567 -1.211 4.709 1.00 13.43 C ATOM 1993 CG LYS A 120 -14.621 -2.157 5.335 1.00 30.31 C ATOM 1994 CD LYS A 120 -15.830 -1.390 5.912 1.00 54.15 C ATOM 1995 CE LYS A 120 -16.933 -2.318 6.424 1.00 3.13 C ATOM 1996 NZ LYS A 120 -18.110 -1.555 6.913 1.00 62.43 N ATOM 0 H LYS A 120 -11.917 0.018 3.394 1.00 44.31 H new ATOM 0 HA LYS A 120 -11.863 -2.560 4.659 1.00 71.12 H new ATOM 0 HB2 LYS A 120 -13.138 -0.593 5.498 1.00 13.43 H new ATOM 0 HB3 LYS A 120 -14.069 -0.538 4.014 1.00 13.43 H new ATOM 0 HG2 LYS A 120 -14.968 -2.861 4.579 1.00 30.31 H new ATOM 0 HG3 LYS A 120 -14.155 -2.743 6.127 1.00 30.31 H new ATOM 0 HD2 LYS A 120 -15.493 -0.750 6.727 1.00 54.15 H new ATOM 0 HD3 LYS A 120 -16.240 -0.736 5.142 1.00 54.15 H new ATOM 0 HE2 LYS A 120 -17.242 -2.991 5.625 1.00 3.13 H new ATOM 0 HE3 LYS A 120 -16.541 -2.939 7.230 1.00 3.13 H new ATOM 0 HZ1 LYS A 120 -18.837 -2.217 7.252 1.00 62.43 H new ATOM 0 HZ2 LYS A 120 -17.820 -0.931 7.693 1.00 62.43 H new ATOM 0 HZ3 LYS A 120 -18.499 -0.982 6.137 1.00 62.43 H new ATOM 2010 N GLU A 121 -13.474 -2.227 1.765 1.00 35.35 N ATOM 2011 CA GLU A 121 -14.186 -2.898 0.645 1.00 52.52 C ATOM 2012 C GLU A 121 -13.298 -3.960 -0.039 1.00 32.04 C ATOM 2013 O GLU A 121 -13.742 -5.087 -0.317 1.00 44.45 O ATOM 2014 CB GLU A 121 -14.674 -1.787 -0.346 1.00 43.12 C ATOM 2015 CG GLU A 121 -15.473 -2.248 -1.600 1.00 41.34 C ATOM 2016 CD GLU A 121 -14.629 -2.388 -2.887 1.00 24.10 C ATOM 2017 OE1 GLU A 121 -14.320 -1.359 -3.531 1.00 75.22 O ATOM 2018 OE2 GLU A 121 -14.288 -3.522 -3.263 1.00 51.11 O ATOM 0 H GLU A 121 -13.382 -1.220 1.630 1.00 35.35 H new ATOM 0 HA GLU A 121 -15.049 -3.448 1.020 1.00 52.52 H new ATOM 0 HB2 GLU A 121 -15.297 -1.087 0.212 1.00 43.12 H new ATOM 0 HB3 GLU A 121 -13.800 -1.233 -0.688 1.00 43.12 H new ATOM 0 HG2 GLU A 121 -15.942 -3.208 -1.383 1.00 41.34 H new ATOM 0 HG3 GLU A 121 -16.277 -1.535 -1.784 1.00 41.34 H new ATOM 2025 N LEU A 122 -12.037 -3.576 -0.290 1.00 1.11 N ATOM 2026 CA LEU A 122 -11.017 -4.456 -0.882 1.00 13.22 C ATOM 2027 C LEU A 122 -10.437 -5.437 0.164 1.00 43.45 C ATOM 2028 O LEU A 122 -10.030 -6.540 -0.206 1.00 42.14 O ATOM 2029 CB LEU A 122 -9.896 -3.605 -1.549 1.00 23.51 C ATOM 2030 CG LEU A 122 -10.383 -2.600 -2.656 1.00 44.11 C ATOM 2031 CD1 LEU A 122 -9.232 -1.717 -3.189 1.00 0.14 C ATOM 2032 CD2 LEU A 122 -11.101 -3.334 -3.799 1.00 72.31 C ATOM 0 H LEU A 122 -11.693 -2.638 -0.086 1.00 1.11 H new ATOM 0 HA LEU A 122 -11.493 -5.061 -1.653 1.00 13.22 H new ATOM 0 HB2 LEU A 122 -9.380 -3.041 -0.772 1.00 23.51 H new ATOM 0 HB3 LEU A 122 -9.165 -4.281 -1.992 1.00 23.51 H new ATOM 0 HG LEU A 122 -11.103 -1.931 -2.184 1.00 44.11 H new ATOM 0 HD11 LEU A 122 -9.616 -1.039 -3.951 1.00 0.14 H new ATOM 0 HD12 LEU A 122 -8.808 -1.138 -2.369 1.00 0.14 H new ATOM 0 HD13 LEU A 122 -8.459 -2.350 -3.623 1.00 0.14 H new ATOM 0 HD21 LEU A 122 -11.425 -2.612 -4.548 1.00 72.31 H new ATOM 0 HD22 LEU A 122 -10.419 -4.050 -4.257 1.00 72.31 H new ATOM 0 HD23 LEU A 122 -11.969 -3.862 -3.404 1.00 72.31 H new ATOM 2044 N LEU A 123 -10.404 -5.028 1.466 1.00 73.24 N ATOM 2045 CA LEU A 123 -9.889 -5.878 2.594 1.00 25.54 C ATOM 2046 C LEU A 123 -10.700 -7.176 2.708 1.00 24.14 C ATOM 2047 O LEU A 123 -10.138 -8.259 2.927 1.00 34.23 O ATOM 2048 CB LEU A 123 -9.949 -5.116 3.972 1.00 10.23 C ATOM 2049 CG LEU A 123 -8.637 -5.084 4.822 1.00 22.31 C ATOM 2050 CD1 LEU A 123 -7.480 -4.386 4.063 1.00 60.15 C ATOM 2051 CD2 LEU A 123 -8.908 -4.420 6.195 1.00 25.23 C ATOM 0 H LEU A 123 -10.729 -4.109 1.766 1.00 73.24 H new ATOM 0 HA LEU A 123 -8.849 -6.111 2.367 1.00 25.54 H new ATOM 0 HB2 LEU A 123 -10.252 -4.087 3.777 1.00 10.23 H new ATOM 0 HB3 LEU A 123 -10.734 -5.571 4.577 1.00 10.23 H new ATOM 0 HG LEU A 123 -8.317 -6.111 4.998 1.00 22.31 H new ATOM 0 HD11 LEU A 123 -6.586 -4.383 4.686 1.00 60.15 H new ATOM 0 HD12 LEU A 123 -7.276 -4.924 3.137 1.00 60.15 H new ATOM 0 HD13 LEU A 123 -7.764 -3.359 3.832 1.00 60.15 H new ATOM 0 HD21 LEU A 123 -7.988 -4.403 6.779 1.00 25.23 H new ATOM 0 HD22 LEU A 123 -9.260 -3.400 6.043 1.00 25.23 H new ATOM 0 HD23 LEU A 123 -9.667 -4.989 6.731 1.00 25.23 H new ATOM 2063 N GLU A 124 -12.031 -7.020 2.579 1.00 2.04 N ATOM 2064 CA GLU A 124 -13.000 -8.131 2.630 1.00 73.41 C ATOM 2065 C GLU A 124 -12.734 -9.141 1.501 1.00 65.41 C ATOM 2066 O GLU A 124 -12.946 -10.340 1.669 1.00 72.33 O ATOM 2067 CB GLU A 124 -14.447 -7.580 2.529 1.00 35.50 C ATOM 2068 CG GLU A 124 -14.832 -6.573 3.638 1.00 24.31 C ATOM 2069 CD GLU A 124 -16.195 -5.902 3.402 1.00 13.43 C ATOM 2070 OE1 GLU A 124 -16.315 -5.133 2.425 1.00 42.24 O ATOM 2071 OE2 GLU A 124 -17.155 -6.146 4.175 1.00 32.10 O ATOM 0 H GLU A 124 -12.468 -6.110 2.435 1.00 2.04 H new ATOM 0 HA GLU A 124 -12.883 -8.647 3.583 1.00 73.41 H new ATOM 0 HB2 GLU A 124 -14.571 -7.097 1.560 1.00 35.50 H new ATOM 0 HB3 GLU A 124 -15.144 -8.418 2.560 1.00 35.50 H new ATOM 0 HG2 GLU A 124 -14.850 -7.089 4.598 1.00 24.31 H new ATOM 0 HG3 GLU A 124 -14.062 -5.804 3.704 1.00 24.31 H new ATOM 2078 N LYS A 125 -12.239 -8.630 0.359 1.00 70.20 N ATOM 2079 CA LYS A 125 -11.898 -9.445 -0.826 1.00 3.31 C ATOM 2080 C LYS A 125 -10.405 -9.850 -0.818 1.00 62.21 C ATOM 2081 O LYS A 125 -9.864 -10.241 -1.859 1.00 13.31 O ATOM 2082 CB LYS A 125 -12.238 -8.636 -2.101 1.00 75.33 C ATOM 2083 CG LYS A 125 -13.698 -8.155 -2.177 1.00 10.14 C ATOM 2084 CD LYS A 125 -14.001 -7.344 -3.453 1.00 22.53 C ATOM 2085 CE LYS A 125 -15.441 -6.807 -3.467 1.00 22.43 C ATOM 2086 NZ LYS A 125 -15.676 -5.836 -2.374 1.00 73.35 N ATOM 0 H LYS A 125 -12.062 -7.634 0.230 1.00 70.20 H new ATOM 0 HA LYS A 125 -12.481 -10.366 -0.807 1.00 3.31 H new ATOM 0 HB2 LYS A 125 -11.579 -7.769 -2.153 1.00 75.33 H new ATOM 0 HB3 LYS A 125 -12.025 -9.251 -2.975 1.00 75.33 H new ATOM 0 HG2 LYS A 125 -14.362 -9.019 -2.136 1.00 10.14 H new ATOM 0 HG3 LYS A 125 -13.919 -7.542 -1.303 1.00 10.14 H new ATOM 0 HD2 LYS A 125 -13.303 -6.510 -3.527 1.00 22.53 H new ATOM 0 HD3 LYS A 125 -13.840 -7.973 -4.329 1.00 22.53 H new ATOM 0 HE2 LYS A 125 -15.642 -6.330 -4.426 1.00 22.43 H new ATOM 0 HE3 LYS A 125 -16.140 -7.638 -3.372 1.00 22.43 H new ATOM 0 HZ1 LYS A 125 -16.658 -5.496 -2.417 1.00 73.35 H new ATOM 0 HZ2 LYS A 125 -15.509 -6.298 -1.457 1.00 73.35 H new ATOM 0 HZ3 LYS A 125 -15.026 -5.031 -2.479 1.00 73.35 H new ATOM 2100 N VAL A 126 -9.764 -9.748 0.374 1.00 31.02 N ATOM 2101 CA VAL A 126 -8.343 -10.114 0.612 1.00 33.33 C ATOM 2102 C VAL A 126 -7.394 -9.288 -0.307 1.00 31.00 C ATOM 2103 O VAL A 126 -6.518 -9.823 -1.010 1.00 34.32 O ATOM 2104 CB VAL A 126 -8.107 -11.688 0.496 1.00 3.31 C ATOM 2105 CG1 VAL A 126 -6.711 -12.110 1.024 1.00 5.45 C ATOM 2106 CG2 VAL A 126 -9.228 -12.490 1.221 1.00 23.22 C ATOM 0 H VAL A 126 -10.229 -9.402 1.213 1.00 31.02 H new ATOM 0 HA VAL A 126 -8.094 -9.852 1.640 1.00 33.33 H new ATOM 0 HB VAL A 126 -8.146 -11.929 -0.566 1.00 3.31 H new ATOM 0 HG11 VAL A 126 -6.596 -13.189 0.925 1.00 5.45 H new ATOM 0 HG12 VAL A 126 -5.936 -11.608 0.445 1.00 5.45 H new ATOM 0 HG13 VAL A 126 -6.619 -11.830 2.073 1.00 5.45 H new ATOM 0 HG21 VAL A 126 -9.034 -13.558 1.121 1.00 23.22 H new ATOM 0 HG22 VAL A 126 -9.243 -12.221 2.277 1.00 23.22 H new ATOM 0 HG23 VAL A 126 -10.193 -12.253 0.773 1.00 23.22 H new ATOM 2116 N GLY A 127 -7.612 -7.959 -0.279 1.00 33.10 N ATOM 2117 CA GLY A 127 -6.791 -6.995 -1.014 1.00 53.23 C ATOM 2118 C GLY A 127 -7.003 -7.074 -2.524 1.00 64.45 C ATOM 2119 O GLY A 127 -6.055 -7.312 -3.276 1.00 33.02 O ATOM 0 H GLY A 127 -8.366 -7.529 0.257 1.00 33.10 H new ATOM 0 HA2 GLY A 127 -7.025 -5.987 -0.670 1.00 53.23 H new ATOM 0 HA3 GLY A 127 -5.739 -7.173 -0.789 1.00 53.23 H new