USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 969 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 108 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= -0.0107 (180deg=-0.115) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= -1.87! (180deg=-3.99!) USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= 1.09 (180deg=0.874) USER MOD Single : A 25 ASN : amide:sc= -0.647 X(o=-0.65,f=-0.16) USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00924) USER MOD Single : A 31 THR OG1 : rot 34:sc= 0.544 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 146:sc= 0.859 (180deg=-0.00989) USER MOD Single : A 41 SER OG : rot -79:sc= 1.22 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 0.592 (180deg=0.0194) USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 0.0485 (180deg=0.0479) USER MOD Single : A 72 LYS NZ :NH3+ -128:sc= 1.3 (180deg=0.765) USER MOD Single : A 73 SER OG : rot 64:sc= 0.201 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.934 F(o=-2.3,f=-0.93) USER MOD Single : A 88 ASN : amide:sc= 0.551 K(o=0.55,f=-0.0061) USER MOD Single : A 94 SER OG : rot -40:sc= 0.545 USER MOD Single : A 106 THR OG1 : rot 172:sc= 0.713 USER MOD Single : A 114 LYS NZ :NH3+ -120:sc= 1.18 (180deg=-1.12!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ILE A 3 1.883 3.742 6.859 1.00 32.13 N ATOM 35 CA ILE A 3 1.445 3.812 5.461 1.00 33.35 C ATOM 36 C ILE A 3 1.743 2.501 4.708 1.00 11.34 C ATOM 37 O ILE A 3 2.869 1.997 4.732 1.00 42.32 O ATOM 38 CB ILE A 3 2.099 5.013 4.726 1.00 20.43 C ATOM 39 CG1 ILE A 3 1.654 5.061 3.253 1.00 64.25 C ATOM 40 CG2 ILE A 3 3.622 4.954 4.836 1.00 24.25 C ATOM 41 CD1 ILE A 3 2.135 6.288 2.506 1.00 51.15 C ATOM 0 HA ILE A 3 0.365 3.960 5.472 1.00 33.35 H new ATOM 0 HB ILE A 3 1.763 5.930 5.209 1.00 20.43 H new ATOM 0 HG12 ILE A 3 2.021 4.170 2.743 1.00 64.25 H new ATOM 0 HG13 ILE A 3 0.565 5.026 3.211 1.00 64.25 H new ATOM 0 HG21 ILE A 3 4.058 5.806 4.313 1.00 24.25 H new ATOM 0 HG22 ILE A 3 3.912 4.985 5.886 1.00 24.25 H new ATOM 0 HG23 ILE A 3 3.984 4.029 4.387 1.00 24.25 H new ATOM 0 HD11 ILE A 3 1.781 6.249 1.476 1.00 51.15 H new ATOM 0 HD12 ILE A 3 1.746 7.184 2.990 1.00 51.15 H new ATOM 0 HD13 ILE A 3 3.225 6.315 2.514 1.00 51.15 H new ATOM 53 N VAL A 4 0.719 1.954 4.052 1.00 0.42 N ATOM 54 CA VAL A 4 0.847 0.700 3.295 1.00 1.42 C ATOM 55 C VAL A 4 0.223 0.840 1.895 1.00 44.22 C ATOM 56 O VAL A 4 -0.945 1.199 1.757 1.00 23.23 O ATOM 57 CB VAL A 4 0.173 -0.486 4.040 1.00 23.42 C ATOM 58 CG1 VAL A 4 0.257 -1.770 3.214 1.00 53.11 C ATOM 59 CG2 VAL A 4 0.800 -0.690 5.420 1.00 42.32 C ATOM 0 H VAL A 4 -0.216 2.360 4.028 1.00 0.42 H new ATOM 0 HA VAL A 4 1.913 0.492 3.198 1.00 1.42 H new ATOM 0 HB VAL A 4 -0.880 -0.240 4.177 1.00 23.42 H new ATOM 0 HG11 VAL A 4 -0.222 -2.584 3.758 1.00 53.11 H new ATOM 0 HG12 VAL A 4 -0.250 -1.623 2.260 1.00 53.11 H new ATOM 0 HG13 VAL A 4 1.303 -2.019 3.034 1.00 53.11 H new ATOM 0 HG21 VAL A 4 0.312 -1.525 5.922 1.00 42.32 H new ATOM 0 HG22 VAL A 4 1.863 -0.905 5.309 1.00 42.32 H new ATOM 0 HG23 VAL A 4 0.673 0.215 6.015 1.00 42.32 H new ATOM 69 N ILE A 5 1.005 0.558 0.858 1.00 13.52 N ATOM 70 CA ILE A 5 0.532 0.695 -0.527 1.00 22.03 C ATOM 71 C ILE A 5 0.248 -0.677 -1.165 1.00 2.03 C ATOM 72 O ILE A 5 1.107 -1.554 -1.183 1.00 40.35 O ATOM 73 CB ILE A 5 1.571 1.467 -1.376 1.00 42.05 C ATOM 74 CG1 ILE A 5 1.878 2.824 -0.717 1.00 54.12 C ATOM 75 CG2 ILE A 5 1.072 1.659 -2.810 1.00 43.01 C ATOM 76 CD1 ILE A 5 2.975 3.613 -1.399 1.00 64.22 C ATOM 0 H ILE A 5 1.968 0.233 0.944 1.00 13.52 H new ATOM 0 HA ILE A 5 -0.402 1.256 -0.503 1.00 22.03 H new ATOM 0 HB ILE A 5 2.490 0.882 -1.422 1.00 42.05 H new ATOM 0 HG12 ILE A 5 0.968 3.424 -0.706 1.00 54.12 H new ATOM 0 HG13 ILE A 5 2.160 2.655 0.322 1.00 54.12 H new ATOM 0 HG21 ILE A 5 1.820 2.204 -3.386 1.00 43.01 H new ATOM 0 HG22 ILE A 5 0.900 0.685 -3.269 1.00 43.01 H new ATOM 0 HG23 ILE A 5 0.140 2.225 -2.798 1.00 43.01 H new ATOM 0 HD11 ILE A 5 3.128 4.555 -0.872 1.00 64.22 H new ATOM 0 HD12 ILE A 5 3.900 3.036 -1.386 1.00 64.22 H new ATOM 0 HD13 ILE A 5 2.689 3.817 -2.431 1.00 64.22 H new ATOM 88 N VAL A 6 -0.965 -0.850 -1.685 1.00 33.11 N ATOM 89 CA VAL A 6 -1.391 -2.123 -2.283 1.00 62.25 C ATOM 90 C VAL A 6 -1.399 -2.053 -3.821 1.00 65.40 C ATOM 91 O VAL A 6 -2.116 -1.245 -4.413 1.00 44.32 O ATOM 92 CB VAL A 6 -2.806 -2.521 -1.784 1.00 14.20 C ATOM 93 CG1 VAL A 6 -3.250 -3.856 -2.384 1.00 51.11 C ATOM 94 CG2 VAL A 6 -2.844 -2.571 -0.257 1.00 1.35 C ATOM 0 H VAL A 6 -1.678 -0.121 -1.706 1.00 33.11 H new ATOM 0 HA VAL A 6 -0.669 -2.878 -1.971 1.00 62.25 H new ATOM 0 HB VAL A 6 -3.508 -1.757 -2.120 1.00 14.20 H new ATOM 0 HG11 VAL A 6 -4.245 -4.108 -2.016 1.00 51.11 H new ATOM 0 HG12 VAL A 6 -3.275 -3.776 -3.471 1.00 51.11 H new ATOM 0 HG13 VAL A 6 -2.547 -4.637 -2.094 1.00 51.11 H new ATOM 0 HG21 VAL A 6 -3.844 -2.852 0.073 1.00 1.35 H new ATOM 0 HG22 VAL A 6 -2.124 -3.307 0.101 1.00 1.35 H new ATOM 0 HG23 VAL A 6 -2.591 -1.590 0.146 1.00 1.35 H new ATOM 104 N VAL A 7 -0.609 -2.911 -4.464 1.00 54.12 N ATOM 105 CA VAL A 7 -0.507 -2.927 -5.932 1.00 31.02 C ATOM 106 C VAL A 7 -1.078 -4.226 -6.529 1.00 11.01 C ATOM 107 O VAL A 7 -0.526 -5.305 -6.316 1.00 70.13 O ATOM 108 CB VAL A 7 0.970 -2.773 -6.385 1.00 14.13 C ATOM 109 CG1 VAL A 7 1.091 -2.810 -7.910 1.00 40.43 C ATOM 110 CG2 VAL A 7 1.581 -1.490 -5.826 1.00 3.04 C ATOM 0 H VAL A 7 -0.028 -3.607 -3.996 1.00 54.12 H new ATOM 0 HA VAL A 7 -1.094 -2.084 -6.297 1.00 31.02 H new ATOM 0 HB VAL A 7 1.528 -3.620 -5.985 1.00 14.13 H new ATOM 0 HG11 VAL A 7 2.137 -2.700 -8.195 1.00 40.43 H new ATOM 0 HG12 VAL A 7 0.712 -3.762 -8.282 1.00 40.43 H new ATOM 0 HG13 VAL A 7 0.510 -1.995 -8.341 1.00 40.43 H new ATOM 0 HG21 VAL A 7 2.616 -1.405 -6.158 1.00 3.04 H new ATOM 0 HG22 VAL A 7 1.014 -0.631 -6.184 1.00 3.04 H new ATOM 0 HG23 VAL A 7 1.550 -1.517 -4.737 1.00 3.04 H new ATOM 120 N PHE A 8 -2.176 -4.121 -7.285 1.00 1.40 N ATOM 121 CA PHE A 8 -2.767 -5.283 -7.978 1.00 1.25 C ATOM 122 C PHE A 8 -1.999 -5.623 -9.267 1.00 70.52 C ATOM 123 O PHE A 8 -2.576 -5.713 -10.355 1.00 21.21 O ATOM 124 CB PHE A 8 -4.251 -5.028 -8.294 1.00 20.41 C ATOM 125 CG PHE A 8 -5.163 -5.145 -7.095 1.00 22.22 C ATOM 126 CD1 PHE A 8 -5.256 -4.119 -6.164 1.00 60.51 C ATOM 127 CD2 PHE A 8 -5.930 -6.288 -6.899 1.00 55.44 C ATOM 128 CE1 PHE A 8 -6.088 -4.234 -5.066 1.00 71.42 C ATOM 129 CE2 PHE A 8 -6.762 -6.404 -5.802 1.00 32.45 C ATOM 130 CZ PHE A 8 -6.843 -5.376 -4.887 1.00 10.04 C ATOM 0 H PHE A 8 -2.677 -3.246 -7.436 1.00 1.40 H new ATOM 0 HA PHE A 8 -2.691 -6.139 -7.307 1.00 1.25 H new ATOM 0 HB2 PHE A 8 -4.355 -4.030 -8.721 1.00 20.41 H new ATOM 0 HB3 PHE A 8 -4.577 -5.736 -9.056 1.00 20.41 H new ATOM 0 HD1 PHE A 8 -4.672 -3.221 -6.299 1.00 60.51 H new ATOM 0 HD2 PHE A 8 -5.875 -7.096 -7.614 1.00 55.44 H new ATOM 0 HE1 PHE A 8 -6.147 -3.430 -4.348 1.00 71.42 H new ATOM 0 HE2 PHE A 8 -7.349 -7.300 -5.661 1.00 32.45 H new ATOM 0 HZ PHE A 8 -7.496 -5.464 -4.031 1.00 10.04 H new ATOM 140 N SER A 9 -0.695 -5.827 -9.130 1.00 3.50 N ATOM 141 CA SER A 9 0.170 -6.176 -10.263 1.00 31.35 C ATOM 142 C SER A 9 1.501 -6.752 -9.777 1.00 54.04 C ATOM 143 O SER A 9 2.306 -6.054 -9.160 1.00 43.01 O ATOM 144 CB SER A 9 0.436 -4.953 -11.157 1.00 61.42 C ATOM 145 OG SER A 9 1.346 -5.268 -12.206 1.00 54.01 O ATOM 0 H SER A 9 -0.204 -5.757 -8.239 1.00 3.50 H new ATOM 0 HA SER A 9 -0.353 -6.932 -10.849 1.00 31.35 H new ATOM 0 HB2 SER A 9 -0.503 -4.599 -11.582 1.00 61.42 H new ATOM 0 HB3 SER A 9 0.840 -4.140 -10.554 1.00 61.42 H new ATOM 0 HG SER A 9 1.495 -4.473 -12.759 1.00 54.01 H new ATOM 151 N THR A 10 1.726 -8.033 -10.053 1.00 5.30 N ATOM 152 CA THR A 10 2.977 -8.702 -9.667 1.00 64.44 C ATOM 153 C THR A 10 4.159 -8.289 -10.559 1.00 75.15 C ATOM 154 O THR A 10 5.295 -8.709 -10.325 1.00 11.21 O ATOM 155 CB THR A 10 2.831 -10.243 -9.708 1.00 54.13 C ATOM 156 OG1 THR A 10 2.393 -10.668 -11.010 1.00 55.42 O ATOM 157 CG2 THR A 10 1.839 -10.729 -8.655 1.00 54.54 C ATOM 0 H THR A 10 1.062 -8.634 -10.542 1.00 5.30 H new ATOM 0 HA THR A 10 3.184 -8.383 -8.646 1.00 64.44 H new ATOM 0 HB THR A 10 3.808 -10.676 -9.493 1.00 54.13 H new ATOM 0 HG1 THR A 10 2.306 -11.644 -11.023 1.00 55.42 H new ATOM 0 HG21 THR A 10 1.756 -11.815 -8.707 1.00 54.54 H new ATOM 0 HG22 THR A 10 2.189 -10.438 -7.664 1.00 54.54 H new ATOM 0 HG23 THR A 10 0.863 -10.282 -8.841 1.00 54.54 H new ATOM 165 N ASP A 11 3.894 -7.464 -11.573 1.00 3.32 N ATOM 166 CA ASP A 11 4.939 -7.003 -12.491 1.00 43.03 C ATOM 167 C ASP A 11 5.874 -5.993 -11.814 1.00 42.41 C ATOM 168 O ASP A 11 5.474 -4.869 -11.497 1.00 51.32 O ATOM 169 CB ASP A 11 4.309 -6.393 -13.744 1.00 4.41 C ATOM 170 CG ASP A 11 3.474 -7.402 -14.508 1.00 75.00 C ATOM 171 OD1 ASP A 11 4.046 -8.412 -14.978 1.00 62.01 O ATOM 172 OD2 ASP A 11 2.249 -7.195 -14.645 1.00 55.32 O ATOM 0 H ASP A 11 2.964 -7.100 -11.780 1.00 3.32 H new ATOM 0 HA ASP A 11 5.538 -7.866 -12.780 1.00 43.03 H new ATOM 0 HB2 ASP A 11 3.684 -5.546 -13.460 1.00 4.41 H new ATOM 0 HB3 ASP A 11 5.094 -6.006 -14.393 1.00 4.41 H new ATOM 177 N GLU A 12 7.126 -6.396 -11.609 1.00 13.51 N ATOM 178 CA GLU A 12 8.098 -5.569 -10.890 1.00 54.23 C ATOM 179 C GLU A 12 8.379 -4.246 -11.618 1.00 72.25 C ATOM 180 O GLU A 12 8.683 -3.237 -10.982 1.00 10.13 O ATOM 181 CB GLU A 12 9.411 -6.334 -10.684 1.00 3.20 C ATOM 182 CG GLU A 12 10.389 -5.620 -9.753 1.00 21.21 C ATOM 183 CD GLU A 12 11.743 -6.303 -9.688 1.00 3.43 C ATOM 184 OE1 GLU A 12 11.874 -7.307 -8.960 1.00 34.42 O ATOM 185 OE2 GLU A 12 12.680 -5.828 -10.368 1.00 32.44 O ATOM 0 H GLU A 12 7.494 -7.291 -11.930 1.00 13.51 H new ATOM 0 HA GLU A 12 7.659 -5.333 -9.920 1.00 54.23 H new ATOM 0 HB2 GLU A 12 9.188 -7.321 -10.277 1.00 3.20 H new ATOM 0 HB3 GLU A 12 9.889 -6.488 -11.652 1.00 3.20 H new ATOM 0 HG2 GLU A 12 10.521 -4.592 -10.091 1.00 21.21 H new ATOM 0 HG3 GLU A 12 9.962 -5.573 -8.751 1.00 21.21 H new ATOM 192 N GLU A 13 8.280 -4.247 -12.949 1.00 31.44 N ATOM 193 CA GLU A 13 8.489 -3.022 -13.732 1.00 2.35 C ATOM 194 C GLU A 13 7.414 -1.975 -13.416 1.00 21.43 C ATOM 195 O GLU A 13 7.723 -0.810 -13.173 1.00 25.03 O ATOM 196 CB GLU A 13 8.504 -3.328 -15.232 1.00 63.32 C ATOM 197 CG GLU A 13 9.619 -4.278 -15.645 1.00 34.32 C ATOM 198 CD GLU A 13 9.705 -4.459 -17.149 1.00 14.31 C ATOM 199 OE1 GLU A 13 8.968 -5.306 -17.695 1.00 34.41 O ATOM 200 OE2 GLU A 13 10.508 -3.748 -17.794 1.00 14.00 O ATOM 0 H GLU A 13 8.059 -5.073 -13.505 1.00 31.44 H new ATOM 0 HA GLU A 13 9.460 -2.613 -13.452 1.00 2.35 H new ATOM 0 HB2 GLU A 13 7.545 -3.760 -15.516 1.00 63.32 H new ATOM 0 HB3 GLU A 13 8.609 -2.394 -15.785 1.00 63.32 H new ATOM 0 HG2 GLU A 13 10.571 -3.898 -15.274 1.00 34.32 H new ATOM 0 HG3 GLU A 13 9.457 -5.248 -15.175 1.00 34.32 H new ATOM 207 N THR A 14 6.152 -2.394 -13.419 1.00 52.42 N ATOM 208 CA THR A 14 5.046 -1.522 -12.996 1.00 35.03 C ATOM 209 C THR A 14 5.257 -1.066 -11.547 1.00 14.32 C ATOM 210 O THR A 14 5.091 0.108 -11.212 1.00 5.45 O ATOM 211 CB THR A 14 3.680 -2.251 -13.111 1.00 1.30 C ATOM 212 OG1 THR A 14 3.510 -2.773 -14.442 1.00 5.03 O ATOM 213 CG2 THR A 14 2.518 -1.317 -12.779 1.00 43.01 C ATOM 0 H THR A 14 5.864 -3.329 -13.708 1.00 52.42 H new ATOM 0 HA THR A 14 5.035 -0.655 -13.657 1.00 35.03 H new ATOM 0 HB THR A 14 3.679 -3.069 -12.390 1.00 1.30 H new ATOM 0 HG1 THR A 14 2.647 -3.233 -14.505 1.00 5.03 H new ATOM 0 HG21 THR A 14 1.577 -1.860 -12.870 1.00 43.01 H new ATOM 0 HG22 THR A 14 2.627 -0.948 -11.759 1.00 43.01 H new ATOM 0 HG23 THR A 14 2.519 -0.475 -13.471 1.00 43.01 H new ATOM 221 N LEU A 15 5.649 -2.015 -10.702 1.00 71.04 N ATOM 222 CA LEU A 15 5.980 -1.744 -9.298 1.00 21.42 C ATOM 223 C LEU A 15 7.184 -0.784 -9.175 1.00 32.45 C ATOM 224 O LEU A 15 7.294 -0.016 -8.214 1.00 24.23 O ATOM 225 CB LEU A 15 6.288 -3.074 -8.595 1.00 71.52 C ATOM 226 CG LEU A 15 6.665 -2.979 -7.110 1.00 32.20 C ATOM 227 CD1 LEU A 15 5.510 -2.404 -6.289 1.00 75.43 C ATOM 228 CD2 LEU A 15 7.078 -4.351 -6.585 1.00 24.54 C ATOM 0 H LEU A 15 5.748 -2.995 -10.967 1.00 71.04 H new ATOM 0 HA LEU A 15 5.127 -1.259 -8.824 1.00 21.42 H new ATOM 0 HB2 LEU A 15 5.416 -3.721 -8.687 1.00 71.52 H new ATOM 0 HB3 LEU A 15 7.105 -3.562 -9.126 1.00 71.52 H new ATOM 0 HG LEU A 15 7.512 -2.300 -7.010 1.00 32.20 H new ATOM 0 HD11 LEU A 15 5.802 -2.347 -5.240 1.00 75.43 H new ATOM 0 HD12 LEU A 15 5.267 -1.406 -6.653 1.00 75.43 H new ATOM 0 HD13 LEU A 15 4.637 -3.049 -6.388 1.00 75.43 H new ATOM 0 HD21 LEU A 15 7.343 -4.272 -5.531 1.00 24.54 H new ATOM 0 HD22 LEU A 15 6.249 -5.049 -6.699 1.00 24.54 H new ATOM 0 HD23 LEU A 15 7.937 -4.713 -7.149 1.00 24.54 H new ATOM 240 N ARG A 16 8.083 -0.834 -10.157 1.00 73.04 N ATOM 241 CA ARG A 16 9.268 0.033 -10.187 1.00 63.52 C ATOM 242 C ARG A 16 8.875 1.518 -10.203 1.00 42.13 C ATOM 243 O ARG A 16 9.561 2.354 -9.615 1.00 73.51 O ATOM 244 CB ARG A 16 10.131 -0.307 -11.412 1.00 74.02 C ATOM 245 CG ARG A 16 11.400 0.531 -11.553 1.00 13.23 C ATOM 246 CD ARG A 16 12.367 0.321 -10.392 1.00 62.35 C ATOM 247 NE ARG A 16 13.618 1.044 -10.599 1.00 32.11 N ATOM 248 CZ ARG A 16 14.521 1.249 -9.678 1.00 35.02 C ATOM 249 NH1 ARG A 16 14.360 0.803 -8.472 1.00 12.23 N ATOM 250 NH2 ARG A 16 15.599 1.895 -9.972 1.00 63.22 N ATOM 0 H ARG A 16 8.015 -1.471 -10.951 1.00 73.04 H new ATOM 0 HA ARG A 16 9.845 -0.146 -9.280 1.00 63.52 H new ATOM 0 HB2 ARG A 16 10.411 -1.359 -11.361 1.00 74.02 H new ATOM 0 HB3 ARG A 16 9.527 -0.181 -12.311 1.00 74.02 H new ATOM 0 HG2 ARG A 16 11.898 0.276 -12.488 1.00 13.23 H new ATOM 0 HG3 ARG A 16 11.131 1.586 -11.612 1.00 13.23 H new ATOM 0 HD2 ARG A 16 11.902 0.655 -9.465 1.00 62.35 H new ATOM 0 HD3 ARG A 16 12.575 -0.743 -10.279 1.00 62.35 H new ATOM 0 HE ARG A 16 13.800 1.416 -11.531 1.00 32.11 H new ATOM 0 HH11 ARG A 16 13.517 0.282 -8.229 1.00 12.23 H new ATOM 0 HH12 ARG A 16 15.076 0.973 -7.766 1.00 12.23 H new ATOM 0 HH21 ARG A 16 15.743 2.243 -10.920 1.00 63.22 H new ATOM 0 HH22 ARG A 16 16.307 2.058 -9.256 1.00 63.22 H new ATOM 264 N LYS A 17 7.761 1.832 -10.869 1.00 21.43 N ATOM 265 CA LYS A 17 7.239 3.207 -10.915 1.00 63.42 C ATOM 266 C LYS A 17 6.955 3.736 -9.499 1.00 34.53 C ATOM 267 O LYS A 17 7.322 4.859 -9.156 1.00 53.13 O ATOM 268 CB LYS A 17 5.958 3.273 -11.770 1.00 21.24 C ATOM 269 CG LYS A 17 6.198 3.268 -13.282 1.00 21.13 C ATOM 270 CD LYS A 17 6.897 1.999 -13.755 1.00 10.30 C ATOM 271 CE LYS A 17 7.076 1.975 -15.267 1.00 34.22 C ATOM 272 NZ LYS A 17 7.908 3.108 -15.754 1.00 4.24 N ATOM 0 H LYS A 17 7.200 1.154 -11.385 1.00 21.43 H new ATOM 0 HA LYS A 17 8.001 3.838 -11.373 1.00 63.42 H new ATOM 0 HB2 LYS A 17 5.322 2.425 -11.514 1.00 21.24 H new ATOM 0 HB3 LYS A 17 5.407 4.176 -11.506 1.00 21.24 H new ATOM 0 HG2 LYS A 17 5.244 3.368 -13.799 1.00 21.13 H new ATOM 0 HG3 LYS A 17 6.800 4.135 -13.554 1.00 21.13 H new ATOM 0 HD2 LYS A 17 7.872 1.921 -13.273 1.00 10.30 H new ATOM 0 HD3 LYS A 17 6.318 1.129 -13.445 1.00 10.30 H new ATOM 0 HE2 LYS A 17 7.540 1.034 -15.561 1.00 34.22 H new ATOM 0 HE3 LYS A 17 6.098 2.012 -15.747 1.00 34.22 H new ATOM 0 HZ1 LYS A 17 8.130 2.968 -16.760 1.00 4.24 H new ATOM 0 HZ2 LYS A 17 7.385 3.999 -15.635 1.00 4.24 H new ATOM 0 HZ3 LYS A 17 8.792 3.150 -15.207 1.00 4.24 H new ATOM 286 N PHE A 18 6.312 2.907 -8.679 1.00 14.54 N ATOM 287 CA PHE A 18 6.004 3.268 -7.292 1.00 63.42 C ATOM 288 C PHE A 18 7.289 3.454 -6.473 1.00 22.34 C ATOM 289 O PHE A 18 7.448 4.443 -5.756 1.00 22.33 O ATOM 290 CB PHE A 18 5.123 2.187 -6.646 1.00 40.41 C ATOM 291 CG PHE A 18 3.834 1.945 -7.389 1.00 61.21 C ATOM 292 CD1 PHE A 18 3.772 1.013 -8.415 1.00 72.22 C ATOM 293 CD2 PHE A 18 2.688 2.658 -7.071 1.00 61.34 C ATOM 294 CE1 PHE A 18 2.597 0.800 -9.108 1.00 43.30 C ATOM 295 CE2 PHE A 18 1.510 2.446 -7.758 1.00 71.44 C ATOM 296 CZ PHE A 18 1.466 1.516 -8.777 1.00 33.53 C ATOM 0 H PHE A 18 5.992 1.977 -8.950 1.00 14.54 H new ATOM 0 HA PHE A 18 5.463 4.214 -7.301 1.00 63.42 H new ATOM 0 HB2 PHE A 18 5.684 1.254 -6.593 1.00 40.41 H new ATOM 0 HB3 PHE A 18 4.894 2.479 -5.621 1.00 40.41 H new ATOM 0 HD1 PHE A 18 4.654 0.447 -8.675 1.00 72.22 H new ATOM 0 HD2 PHE A 18 2.718 3.388 -6.276 1.00 61.34 H new ATOM 0 HE1 PHE A 18 2.564 0.074 -9.907 1.00 43.30 H new ATOM 0 HE2 PHE A 18 0.624 3.007 -7.499 1.00 71.44 H new ATOM 0 HZ PHE A 18 0.545 1.349 -9.316 1.00 33.53 H new ATOM 306 N LYS A 19 8.208 2.496 -6.597 1.00 2.03 N ATOM 307 CA LYS A 19 9.477 2.540 -5.865 1.00 33.21 C ATOM 308 C LYS A 19 10.302 3.791 -6.223 1.00 53.10 C ATOM 309 O LYS A 19 10.919 4.403 -5.350 1.00 31.44 O ATOM 310 CB LYS A 19 10.294 1.264 -6.134 1.00 24.44 C ATOM 311 CG LYS A 19 9.619 -0.011 -5.626 1.00 10.53 C ATOM 312 CD LYS A 19 10.518 -1.242 -5.760 1.00 0.11 C ATOM 313 CE LYS A 19 10.755 -1.636 -7.215 1.00 14.42 C ATOM 314 NZ LYS A 19 11.647 -2.821 -7.328 1.00 42.23 N ATOM 0 H LYS A 19 8.098 1.679 -7.198 1.00 2.03 H new ATOM 0 HA LYS A 19 9.242 2.595 -4.802 1.00 33.21 H new ATOM 0 HB2 LYS A 19 10.466 1.172 -7.206 1.00 24.44 H new ATOM 0 HB3 LYS A 19 11.271 1.361 -5.661 1.00 24.44 H new ATOM 0 HG2 LYS A 19 9.342 0.120 -4.580 1.00 10.53 H new ATOM 0 HG3 LYS A 19 8.696 -0.176 -6.182 1.00 10.53 H new ATOM 0 HD2 LYS A 19 11.476 -1.042 -5.280 1.00 0.11 H new ATOM 0 HD3 LYS A 19 10.064 -2.079 -5.229 1.00 0.11 H new ATOM 0 HE2 LYS A 19 9.800 -1.853 -7.693 1.00 14.42 H new ATOM 0 HE3 LYS A 19 11.196 -0.796 -7.752 1.00 14.42 H new ATOM 0 HZ1 LYS A 19 11.784 -3.058 -8.331 1.00 42.23 H new ATOM 0 HZ2 LYS A 19 12.567 -2.605 -6.894 1.00 42.23 H new ATOM 0 HZ3 LYS A 19 11.214 -3.629 -6.837 1.00 42.23 H new ATOM 328 N ASP A 20 10.302 4.168 -7.500 1.00 61.10 N ATOM 329 CA ASP A 20 11.033 5.359 -7.952 1.00 65.32 C ATOM 330 C ASP A 20 10.463 6.637 -7.311 1.00 14.43 C ATOM 331 O ASP A 20 11.209 7.481 -6.819 1.00 14.51 O ATOM 332 CB ASP A 20 10.989 5.471 -9.483 1.00 50.24 C ATOM 333 CG ASP A 20 11.827 6.632 -10.003 1.00 72.30 C ATOM 334 OD1 ASP A 20 13.064 6.482 -10.100 1.00 54.14 O ATOM 335 OD2 ASP A 20 11.258 7.705 -10.301 1.00 72.31 O ATOM 0 H ASP A 20 9.807 3.671 -8.241 1.00 61.10 H new ATOM 0 HA ASP A 20 12.071 5.252 -7.636 1.00 65.32 H new ATOM 0 HB2 ASP A 20 11.348 4.541 -9.923 1.00 50.24 H new ATOM 0 HB3 ASP A 20 9.956 5.598 -9.806 1.00 50.24 H new ATOM 340 N ILE A 21 9.135 6.767 -7.315 1.00 35.23 N ATOM 341 CA ILE A 21 8.465 7.945 -6.747 1.00 50.34 C ATOM 342 C ILE A 21 8.728 8.090 -5.238 1.00 22.54 C ATOM 343 O ILE A 21 9.108 9.164 -4.765 1.00 53.42 O ATOM 344 CB ILE A 21 6.935 7.897 -7.005 1.00 11.20 C ATOM 345 CG1 ILE A 21 6.649 7.918 -8.520 1.00 2.53 C ATOM 346 CG2 ILE A 21 6.226 9.056 -6.302 1.00 12.33 C ATOM 347 CD1 ILE A 21 5.180 7.796 -8.877 1.00 51.52 C ATOM 0 H ILE A 21 8.499 6.072 -7.705 1.00 35.23 H new ATOM 0 HA ILE A 21 8.887 8.814 -7.251 1.00 50.34 H new ATOM 0 HB ILE A 21 6.545 6.967 -6.591 1.00 11.20 H new ATOM 0 HG12 ILE A 21 7.037 8.846 -8.939 1.00 2.53 H new ATOM 0 HG13 ILE A 21 7.195 7.102 -8.993 1.00 2.53 H new ATOM 0 HG21 ILE A 21 5.155 9.000 -6.498 1.00 12.33 H new ATOM 0 HG22 ILE A 21 6.402 8.993 -5.228 1.00 12.33 H new ATOM 0 HG23 ILE A 21 6.615 10.002 -6.678 1.00 12.33 H new ATOM 0 HD11 ILE A 21 5.066 7.819 -9.961 1.00 51.52 H new ATOM 0 HD12 ILE A 21 4.789 6.855 -8.491 1.00 51.52 H new ATOM 0 HD13 ILE A 21 4.628 8.626 -8.436 1.00 51.52 H new ATOM 359 N ILE A 22 8.541 7.008 -4.485 1.00 65.13 N ATOM 360 CA ILE A 22 8.754 7.036 -3.031 1.00 22.42 C ATOM 361 C ILE A 22 10.214 7.388 -2.686 1.00 34.41 C ATOM 362 O ILE A 22 10.481 8.228 -1.816 1.00 64.12 O ATOM 363 CB ILE A 22 8.380 5.681 -2.382 1.00 11.01 C ATOM 364 CG1 ILE A 22 6.927 5.299 -2.725 1.00 2.21 C ATOM 365 CG2 ILE A 22 8.579 5.741 -0.867 1.00 32.22 C ATOM 366 CD1 ILE A 22 6.514 3.936 -2.211 1.00 45.22 C ATOM 0 H ILE A 22 8.244 6.103 -4.851 1.00 65.13 H new ATOM 0 HA ILE A 22 8.101 7.811 -2.628 1.00 22.42 H new ATOM 0 HB ILE A 22 9.039 4.912 -2.785 1.00 11.01 H new ATOM 0 HG12 ILE A 22 6.256 6.051 -2.310 1.00 2.21 H new ATOM 0 HG13 ILE A 22 6.801 5.322 -3.808 1.00 2.21 H new ATOM 0 HG21 ILE A 22 8.312 4.780 -0.427 1.00 32.22 H new ATOM 0 HG22 ILE A 22 9.623 5.964 -0.646 1.00 32.22 H new ATOM 0 HG23 ILE A 22 7.945 6.522 -0.447 1.00 32.22 H new ATOM 0 HD11 ILE A 22 5.479 3.739 -2.492 1.00 45.22 H new ATOM 0 HD12 ILE A 22 7.159 3.172 -2.645 1.00 45.22 H new ATOM 0 HD13 ILE A 22 6.606 3.914 -1.125 1.00 45.22 H new ATOM 378 N LYS A 23 11.160 6.755 -3.377 1.00 24.41 N ATOM 379 CA LYS A 23 12.579 7.088 -3.209 1.00 61.03 C ATOM 380 C LYS A 23 12.856 8.530 -3.665 1.00 23.33 C ATOM 381 O LYS A 23 13.695 9.223 -3.088 1.00 45.42 O ATOM 382 CB LYS A 23 13.466 6.110 -3.992 1.00 33.22 C ATOM 383 CG LYS A 23 13.379 4.669 -3.494 1.00 4.04 C ATOM 384 CD LYS A 23 14.209 3.699 -4.342 1.00 25.21 C ATOM 385 CE LYS A 23 15.715 3.812 -4.082 1.00 64.00 C ATOM 386 NZ LYS A 23 16.278 5.129 -4.488 1.00 13.05 N ATOM 0 H LYS A 23 10.975 6.014 -4.054 1.00 24.41 H new ATOM 0 HA LYS A 23 12.820 7.003 -2.149 1.00 61.03 H new ATOM 0 HB2 LYS A 23 13.183 6.139 -5.044 1.00 33.22 H new ATOM 0 HB3 LYS A 23 14.502 6.444 -3.931 1.00 33.22 H new ATOM 0 HG2 LYS A 23 13.721 4.625 -2.460 1.00 4.04 H new ATOM 0 HG3 LYS A 23 12.337 4.349 -3.499 1.00 4.04 H new ATOM 0 HD2 LYS A 23 13.886 2.678 -4.137 1.00 25.21 H new ATOM 0 HD3 LYS A 23 14.013 3.889 -5.397 1.00 25.21 H new ATOM 0 HE2 LYS A 23 15.908 3.652 -3.021 1.00 64.00 H new ATOM 0 HE3 LYS A 23 16.232 3.020 -4.623 1.00 64.00 H new ATOM 0 HZ1 LYS A 23 17.259 5.003 -4.808 1.00 13.05 H new ATOM 0 HZ2 LYS A 23 15.709 5.526 -5.263 1.00 13.05 H new ATOM 0 HZ3 LYS A 23 16.259 5.780 -3.677 1.00 13.05 H new ATOM 400 N LYS A 24 12.129 8.971 -4.692 1.00 51.20 N ATOM 401 CA LYS A 24 12.228 10.343 -5.205 1.00 53.55 C ATOM 402 C LYS A 24 11.791 11.362 -4.137 1.00 44.41 C ATOM 403 O LYS A 24 12.367 12.446 -4.020 1.00 75.10 O ATOM 404 CB LYS A 24 11.351 10.486 -6.456 1.00 4.40 C ATOM 405 CG LYS A 24 11.568 11.774 -7.244 1.00 74.11 C ATOM 406 CD LYS A 24 10.563 11.914 -8.389 1.00 21.42 C ATOM 407 CE LYS A 24 10.508 10.666 -9.270 1.00 62.10 C ATOM 408 NZ LYS A 24 11.812 10.371 -9.922 1.00 64.33 N ATOM 0 H LYS A 24 11.456 8.391 -5.193 1.00 51.20 H new ATOM 0 HA LYS A 24 13.268 10.545 -5.462 1.00 53.55 H new ATOM 0 HB2 LYS A 24 11.540 9.638 -7.114 1.00 4.40 H new ATOM 0 HB3 LYS A 24 10.304 10.431 -6.157 1.00 4.40 H new ATOM 0 HG2 LYS A 24 11.478 12.629 -6.575 1.00 74.11 H new ATOM 0 HG3 LYS A 24 12.581 11.788 -7.646 1.00 74.11 H new ATOM 0 HD2 LYS A 24 9.573 12.110 -7.978 1.00 21.42 H new ATOM 0 HD3 LYS A 24 10.830 12.776 -9.000 1.00 21.42 H new ATOM 0 HE2 LYS A 24 10.206 9.811 -8.665 1.00 62.10 H new ATOM 0 HE3 LYS A 24 9.744 10.799 -10.036 1.00 62.10 H new ATOM 0 HZ1 LYS A 24 11.796 9.406 -10.309 1.00 64.33 H new ATOM 0 HZ2 LYS A 24 11.977 11.050 -10.692 1.00 64.33 H new ATOM 0 HZ3 LYS A 24 12.576 10.450 -9.221 1.00 64.33 H new ATOM 422 N ASN A 25 10.756 11.009 -3.377 1.00 4.31 N ATOM 423 CA ASN A 25 10.287 11.840 -2.261 1.00 42.22 C ATOM 424 C ASN A 25 11.296 11.833 -1.101 1.00 65.53 C ATOM 425 O ASN A 25 11.509 12.850 -0.441 1.00 63.41 O ATOM 426 CB ASN A 25 8.916 11.354 -1.771 1.00 73.44 C ATOM 427 CG ASN A 25 7.819 11.519 -2.812 1.00 61.12 C ATOM 428 OD1 ASN A 25 6.891 10.726 -2.877 1.00 65.43 O ATOM 429 ND2 ASN A 25 7.909 12.553 -3.628 1.00 23.44 N ATOM 0 H ASN A 25 10.222 10.150 -3.512 1.00 4.31 H new ATOM 0 HA ASN A 25 10.192 12.864 -2.623 1.00 42.22 H new ATOM 0 HB2 ASN A 25 8.988 10.303 -1.491 1.00 73.44 H new ATOM 0 HB3 ASN A 25 8.642 11.905 -0.872 1.00 73.44 H new ATOM 0 HD21 ASN A 25 7.192 12.707 -4.337 1.00 23.44 H new ATOM 0 HD22 ASN A 25 8.695 13.198 -3.549 1.00 23.44 H new ATOM 436 N GLY A 26 11.914 10.677 -0.861 1.00 54.31 N ATOM 437 CA GLY A 26 12.946 10.569 0.169 1.00 44.02 C ATOM 438 C GLY A 26 12.602 9.579 1.277 1.00 34.02 C ATOM 439 O GLY A 26 12.873 9.832 2.452 1.00 10.03 O ATOM 0 H GLY A 26 11.720 9.809 -1.361 1.00 54.31 H new ATOM 0 HA2 GLY A 26 13.883 10.267 -0.298 1.00 44.02 H new ATOM 0 HA3 GLY A 26 13.112 11.552 0.610 1.00 44.02 H new ATOM 443 N PHE A 27 12.002 8.446 0.910 1.00 32.43 N ATOM 444 CA PHE A 27 11.667 7.392 1.877 1.00 42.15 C ATOM 445 C PHE A 27 12.203 6.026 1.420 1.00 62.51 C ATOM 446 O PHE A 27 12.466 5.814 0.234 1.00 51.43 O ATOM 447 CB PHE A 27 10.145 7.322 2.078 1.00 74.44 C ATOM 448 CG PHE A 27 9.548 8.594 2.634 1.00 21.31 C ATOM 449 CD1 PHE A 27 9.139 9.615 1.786 1.00 23.01 C ATOM 450 CD2 PHE A 27 9.407 8.770 4.004 1.00 52.14 C ATOM 451 CE1 PHE A 27 8.602 10.782 2.293 1.00 52.14 C ATOM 452 CE2 PHE A 27 8.869 9.937 4.515 1.00 51.32 C ATOM 453 CZ PHE A 27 8.467 10.944 3.659 1.00 64.24 C ATOM 0 H PHE A 27 11.736 8.231 -0.051 1.00 32.43 H new ATOM 0 HA PHE A 27 12.143 7.641 2.826 1.00 42.15 H new ATOM 0 HB2 PHE A 27 9.671 7.096 1.123 1.00 74.44 H new ATOM 0 HB3 PHE A 27 9.914 6.497 2.752 1.00 74.44 H new ATOM 0 HD1 PHE A 27 9.242 9.495 0.718 1.00 23.01 H new ATOM 0 HD2 PHE A 27 9.721 7.987 4.678 1.00 52.14 H new ATOM 0 HE1 PHE A 27 8.288 11.568 1.622 1.00 52.14 H new ATOM 0 HE2 PHE A 27 8.763 10.061 5.583 1.00 51.32 H new ATOM 0 HZ PHE A 27 8.048 11.857 4.057 1.00 64.24 H new ATOM 463 N LYS A 28 12.385 5.111 2.368 1.00 11.02 N ATOM 464 CA LYS A 28 12.871 3.760 2.065 1.00 52.30 C ATOM 465 C LYS A 28 11.695 2.828 1.737 1.00 62.42 C ATOM 466 O LYS A 28 10.762 2.694 2.527 1.00 60.43 O ATOM 467 CB LYS A 28 13.675 3.186 3.248 1.00 50.41 C ATOM 468 CG LYS A 28 14.963 3.947 3.590 1.00 73.24 C ATOM 469 CD LYS A 28 14.686 5.321 4.203 1.00 53.35 C ATOM 470 CE LYS A 28 15.957 5.976 4.738 1.00 65.32 C ATOM 471 NZ LYS A 28 16.979 6.189 3.677 1.00 52.25 N ATOM 0 H LYS A 28 12.204 5.278 3.358 1.00 11.02 H new ATOM 0 HA LYS A 28 13.527 3.827 1.197 1.00 52.30 H new ATOM 0 HB2 LYS A 28 13.034 3.172 4.130 1.00 50.41 H new ATOM 0 HB3 LYS A 28 13.932 2.151 3.024 1.00 50.41 H new ATOM 0 HG2 LYS A 28 15.557 3.355 4.286 1.00 73.24 H new ATOM 0 HG3 LYS A 28 15.560 4.070 2.686 1.00 73.24 H new ATOM 0 HD2 LYS A 28 14.233 5.968 3.452 1.00 53.35 H new ATOM 0 HD3 LYS A 28 13.963 5.218 5.012 1.00 53.35 H new ATOM 0 HE2 LYS A 28 15.704 6.934 5.192 1.00 65.32 H new ATOM 0 HE3 LYS A 28 16.380 5.352 5.525 1.00 65.32 H new ATOM 0 HZ1 LYS A 28 17.808 6.667 4.085 1.00 52.25 H new ATOM 0 HZ2 LYS A 28 17.267 5.271 3.283 1.00 52.25 H new ATOM 0 HZ3 LYS A 28 16.577 6.779 2.921 1.00 52.25 H new ATOM 485 N VAL A 29 11.743 2.184 0.574 1.00 52.31 N ATOM 486 CA VAL A 29 10.648 1.314 0.121 1.00 50.15 C ATOM 487 C VAL A 29 10.916 -0.161 0.458 1.00 51.05 C ATOM 488 O VAL A 29 12.057 -0.622 0.400 1.00 34.34 O ATOM 489 CB VAL A 29 10.443 1.430 -1.412 1.00 62.44 C ATOM 490 CG1 VAL A 29 9.163 0.719 -1.853 1.00 1.32 C ATOM 491 CG2 VAL A 29 10.439 2.893 -1.851 1.00 12.44 C ATOM 0 H VAL A 29 12.527 2.245 -0.076 1.00 52.31 H new ATOM 0 HA VAL A 29 9.753 1.648 0.645 1.00 50.15 H new ATOM 0 HB VAL A 29 11.282 0.934 -1.901 1.00 62.44 H new ATOM 0 HG11 VAL A 29 9.046 0.817 -2.932 1.00 1.32 H new ATOM 0 HG12 VAL A 29 9.224 -0.337 -1.589 1.00 1.32 H new ATOM 0 HG13 VAL A 29 8.306 1.169 -1.352 1.00 1.32 H new ATOM 0 HG21 VAL A 29 10.294 2.949 -2.930 1.00 12.44 H new ATOM 0 HG22 VAL A 29 9.629 3.422 -1.348 1.00 12.44 H new ATOM 0 HG23 VAL A 29 11.391 3.354 -1.589 1.00 12.44 H new ATOM 501 N ARG A 30 9.864 -0.899 0.817 1.00 24.52 N ATOM 502 CA ARG A 30 9.968 -2.356 0.967 1.00 4.13 C ATOM 503 C ARG A 30 8.740 -3.051 0.372 1.00 41.32 C ATOM 504 O ARG A 30 7.627 -2.893 0.869 1.00 52.00 O ATOM 505 CB ARG A 30 10.142 -2.766 2.439 1.00 32.50 C ATOM 506 CG ARG A 30 10.870 -4.101 2.588 1.00 41.44 C ATOM 507 CD ARG A 30 11.180 -4.452 4.038 1.00 53.23 C ATOM 508 NE ARG A 30 9.992 -4.867 4.780 1.00 64.53 N ATOM 509 CZ ARG A 30 9.616 -6.110 4.915 1.00 43.44 C ATOM 510 NH1 ARG A 30 10.265 -7.060 4.320 1.00 25.23 N ATOM 511 NH2 ARG A 30 8.590 -6.400 5.645 1.00 41.43 N ATOM 0 H ARG A 30 8.937 -0.518 1.008 1.00 24.52 H new ATOM 0 HA ARG A 30 10.856 -2.674 0.421 1.00 4.13 H new ATOM 0 HB2 ARG A 30 10.698 -1.991 2.966 1.00 32.50 H new ATOM 0 HB3 ARG A 30 9.163 -2.834 2.913 1.00 32.50 H new ATOM 0 HG2 ARG A 30 10.260 -4.892 2.151 1.00 41.44 H new ATOM 0 HG3 ARG A 30 11.801 -4.066 2.022 1.00 41.44 H new ATOM 0 HD2 ARG A 30 11.919 -5.253 4.064 1.00 53.23 H new ATOM 0 HD3 ARG A 30 11.628 -3.588 4.530 1.00 53.23 H new ATOM 0 HE ARG A 30 9.423 -4.143 5.218 1.00 64.53 H new ATOM 0 HH11 ARG A 30 11.076 -6.839 3.741 1.00 25.23 H new ATOM 0 HH12 ARG A 30 9.966 -8.029 4.430 1.00 25.23 H new ATOM 0 HH21 ARG A 30 8.073 -5.658 6.116 1.00 41.43 H new ATOM 0 HH22 ARG A 30 8.297 -7.371 5.750 1.00 41.43 H new ATOM 525 N THR A 31 8.947 -3.817 -0.690 1.00 20.02 N ATOM 526 CA THR A 31 7.845 -4.477 -1.394 1.00 54.04 C ATOM 527 C THR A 31 7.638 -5.916 -0.904 1.00 55.12 C ATOM 528 O THR A 31 8.483 -6.788 -1.117 1.00 43.44 O ATOM 529 CB THR A 31 8.082 -4.479 -2.922 1.00 71.21 C ATOM 530 OG1 THR A 31 9.295 -5.185 -3.249 1.00 21.03 O ATOM 531 CG2 THR A 31 8.172 -3.049 -3.450 1.00 45.34 C ATOM 0 H THR A 31 9.868 -4.000 -1.087 1.00 20.02 H new ATOM 0 HA THR A 31 6.943 -3.905 -1.174 1.00 54.04 H new ATOM 0 HB THR A 31 7.238 -4.985 -3.391 1.00 71.21 H new ATOM 0 HG1 THR A 31 9.424 -5.924 -2.618 1.00 21.03 H new ATOM 0 HG21 THR A 31 8.339 -3.069 -4.527 1.00 45.34 H new ATOM 0 HG22 THR A 31 7.241 -2.523 -3.237 1.00 45.34 H new ATOM 0 HG23 THR A 31 9.000 -2.533 -2.964 1.00 45.34 H new ATOM 539 N VAL A 32 6.504 -6.153 -0.245 1.00 34.45 N ATOM 540 CA VAL A 32 6.180 -7.470 0.317 1.00 25.53 C ATOM 541 C VAL A 32 5.285 -8.285 -0.631 1.00 71.31 C ATOM 542 O VAL A 32 4.308 -7.773 -1.178 1.00 14.14 O ATOM 543 CB VAL A 32 5.471 -7.328 1.691 1.00 2.24 C ATOM 544 CG1 VAL A 32 5.060 -8.694 2.245 1.00 5.11 C ATOM 545 CG2 VAL A 32 6.367 -6.589 2.682 1.00 32.23 C ATOM 0 H VAL A 32 5.787 -5.445 -0.085 1.00 34.45 H new ATOM 0 HA VAL A 32 7.124 -7.999 0.449 1.00 25.53 H new ATOM 0 HB VAL A 32 4.564 -6.742 1.543 1.00 2.24 H new ATOM 0 HG11 VAL A 32 4.566 -8.563 3.208 1.00 5.11 H new ATOM 0 HG12 VAL A 32 4.375 -9.178 1.549 1.00 5.11 H new ATOM 0 HG13 VAL A 32 5.946 -9.316 2.374 1.00 5.11 H new ATOM 0 HG21 VAL A 32 5.854 -6.499 3.639 1.00 32.23 H new ATOM 0 HG22 VAL A 32 7.295 -7.145 2.819 1.00 32.23 H new ATOM 0 HG23 VAL A 32 6.593 -5.595 2.297 1.00 32.23 H new ATOM 555 N ARG A 33 5.632 -9.557 -0.815 1.00 2.44 N ATOM 556 CA ARG A 33 4.847 -10.476 -1.650 1.00 13.14 C ATOM 557 C ARG A 33 4.528 -11.775 -0.884 1.00 51.11 C ATOM 558 O ARG A 33 3.574 -12.485 -1.204 1.00 30.02 O ATOM 559 CB ARG A 33 5.623 -10.794 -2.936 1.00 2.24 C ATOM 560 CG ARG A 33 4.838 -11.609 -3.959 1.00 50.10 C ATOM 561 CD ARG A 33 5.724 -12.030 -5.126 1.00 72.20 C ATOM 562 NE ARG A 33 6.818 -12.902 -4.689 1.00 33.25 N ATOM 563 CZ ARG A 33 8.086 -12.678 -4.914 1.00 60.04 C ATOM 564 NH1 ARG A 33 8.466 -11.656 -5.617 1.00 43.43 N ATOM 565 NH2 ARG A 33 8.975 -13.495 -4.449 1.00 72.20 N ATOM 0 H ARG A 33 6.459 -9.982 -0.395 1.00 2.44 H new ATOM 0 HA ARG A 33 3.903 -9.995 -1.908 1.00 13.14 H new ATOM 0 HB2 ARG A 33 5.936 -9.858 -3.398 1.00 2.24 H new ATOM 0 HB3 ARG A 33 6.530 -11.339 -2.674 1.00 2.24 H new ATOM 0 HG2 ARG A 33 4.420 -12.494 -3.479 1.00 50.10 H new ATOM 0 HG3 ARG A 33 3.999 -11.021 -4.330 1.00 50.10 H new ATOM 0 HD2 ARG A 33 5.121 -12.548 -5.872 1.00 72.20 H new ATOM 0 HD3 ARG A 33 6.136 -11.144 -5.609 1.00 72.20 H new ATOM 0 HE ARG A 33 6.572 -13.746 -4.171 1.00 33.25 H new ATOM 0 HH11 ARG A 33 7.772 -11.015 -6.002 1.00 43.43 H new ATOM 0 HH12 ARG A 33 9.459 -11.493 -5.785 1.00 43.43 H new ATOM 0 HH21 ARG A 33 8.685 -14.310 -3.909 1.00 72.20 H new ATOM 0 HH22 ARG A 33 9.965 -13.324 -4.622 1.00 72.20 H new ATOM 579 N SER A 34 5.343 -12.081 0.125 1.00 72.55 N ATOM 580 CA SER A 34 5.137 -13.266 0.971 1.00 10.21 C ATOM 581 C SER A 34 4.700 -12.857 2.389 1.00 33.54 C ATOM 582 O SER A 34 5.267 -11.930 2.973 1.00 53.15 O ATOM 583 CB SER A 34 6.428 -14.098 1.047 1.00 61.44 C ATOM 584 OG SER A 34 6.874 -14.484 -0.245 1.00 10.31 O ATOM 0 H SER A 34 6.158 -11.524 0.381 1.00 72.55 H new ATOM 0 HA SER A 34 4.347 -13.868 0.522 1.00 10.21 H new ATOM 0 HB2 SER A 34 7.207 -13.519 1.544 1.00 61.44 H new ATOM 0 HB3 SER A 34 6.255 -14.987 1.654 1.00 61.44 H new ATOM 0 HG SER A 34 7.697 -15.010 -0.163 1.00 10.31 H new ATOM 590 N PRO A 35 3.698 -13.551 2.976 1.00 15.41 N ATOM 591 CA PRO A 35 3.163 -13.212 4.314 1.00 72.22 C ATOM 592 C PRO A 35 4.247 -13.185 5.406 1.00 14.24 C ATOM 593 O PRO A 35 4.199 -12.363 6.325 1.00 2.34 O ATOM 594 CB PRO A 35 2.132 -14.324 4.589 1.00 11.03 C ATOM 595 CG PRO A 35 2.446 -15.405 3.608 1.00 71.14 C ATOM 596 CD PRO A 35 3.007 -14.716 2.396 1.00 3.03 C ATOM 0 HA PRO A 35 2.736 -12.209 4.331 1.00 72.22 H new ATOM 0 HB2 PRO A 35 2.210 -14.688 5.613 1.00 11.03 H new ATOM 0 HB3 PRO A 35 1.114 -13.957 4.458 1.00 11.03 H new ATOM 0 HG2 PRO A 35 3.165 -16.111 4.023 1.00 71.14 H new ATOM 0 HG3 PRO A 35 1.551 -15.973 3.354 1.00 71.14 H new ATOM 0 HD2 PRO A 35 3.692 -15.360 1.845 1.00 3.03 H new ATOM 0 HD3 PRO A 35 2.222 -14.417 1.701 1.00 3.03 H new ATOM 604 N GLN A 36 5.219 -14.086 5.299 1.00 24.42 N ATOM 605 CA GLN A 36 6.365 -14.114 6.218 1.00 71.42 C ATOM 606 C GLN A 36 7.133 -12.778 6.214 1.00 23.31 C ATOM 607 O GLN A 36 7.591 -12.316 7.258 1.00 21.34 O ATOM 608 CB GLN A 36 7.296 -15.278 5.847 1.00 22.41 C ATOM 609 CG GLN A 36 7.757 -15.266 4.392 1.00 20.52 C ATOM 610 CD GLN A 36 8.457 -16.552 3.983 1.00 73.15 C ATOM 611 OE1 GLN A 36 9.667 -16.690 4.117 1.00 44.53 O ATOM 612 NE2 GLN A 36 7.701 -17.504 3.472 1.00 0.45 N ATOM 0 H GLN A 36 5.241 -14.812 4.583 1.00 24.42 H new ATOM 0 HA GLN A 36 5.988 -14.263 7.230 1.00 71.42 H new ATOM 0 HB2 GLN A 36 8.172 -15.250 6.495 1.00 22.41 H new ATOM 0 HB3 GLN A 36 6.782 -16.218 6.047 1.00 22.41 H new ATOM 0 HG2 GLN A 36 6.895 -15.106 3.744 1.00 20.52 H new ATOM 0 HG3 GLN A 36 8.433 -14.425 4.237 1.00 20.52 H new ATOM 0 HE21 GLN A 36 6.696 -17.359 3.373 1.00 0.45 H new ATOM 0 HE22 GLN A 36 8.121 -18.385 3.176 1.00 0.45 H new ATOM 621 N GLU A 37 7.254 -12.153 5.041 1.00 20.51 N ATOM 622 CA GLU A 37 7.909 -10.842 4.929 1.00 32.42 C ATOM 623 C GLU A 37 7.101 -9.745 5.635 1.00 74.12 C ATOM 624 O GLU A 37 7.672 -8.823 6.220 1.00 61.24 O ATOM 625 CB GLU A 37 8.116 -10.463 3.454 1.00 44.02 C ATOM 626 CG GLU A 37 9.309 -11.147 2.797 1.00 45.42 C ATOM 627 CD GLU A 37 10.633 -10.762 3.444 1.00 54.23 C ATOM 628 OE1 GLU A 37 10.871 -9.554 3.651 1.00 13.44 O ATOM 629 OE2 GLU A 37 11.446 -11.663 3.735 1.00 64.01 O ATOM 0 H GLU A 37 6.910 -12.529 4.157 1.00 20.51 H new ATOM 0 HA GLU A 37 8.879 -10.923 5.419 1.00 32.42 H new ATOM 0 HB2 GLU A 37 7.214 -10.714 2.896 1.00 44.02 H new ATOM 0 HB3 GLU A 37 8.245 -9.383 3.382 1.00 44.02 H new ATOM 0 HG2 GLU A 37 9.181 -12.228 2.855 1.00 45.42 H new ATOM 0 HG3 GLU A 37 9.336 -10.886 1.739 1.00 45.42 H new ATOM 636 N LEU A 38 5.775 -9.844 5.572 1.00 32.13 N ATOM 637 CA LEU A 38 4.895 -8.894 6.266 1.00 42.22 C ATOM 638 C LEU A 38 5.179 -8.899 7.777 1.00 71.31 C ATOM 639 O LEU A 38 5.218 -7.852 8.419 1.00 52.00 O ATOM 640 CB LEU A 38 3.423 -9.243 5.996 1.00 53.41 C ATOM 641 CG LEU A 38 2.388 -8.280 6.606 1.00 51.12 C ATOM 642 CD1 LEU A 38 2.537 -6.875 6.025 1.00 54.14 C ATOM 643 CD2 LEU A 38 0.972 -8.809 6.386 1.00 4.32 C ATOM 0 H LEU A 38 5.283 -10.569 5.050 1.00 32.13 H new ATOM 0 HA LEU A 38 5.094 -7.893 5.884 1.00 42.22 H new ATOM 0 HB2 LEU A 38 3.269 -9.278 4.918 1.00 53.41 H new ATOM 0 HB3 LEU A 38 3.230 -10.245 6.379 1.00 53.41 H new ATOM 0 HG LEU A 38 2.571 -8.219 7.679 1.00 51.12 H new ATOM 0 HD11 LEU A 38 1.794 -6.215 6.473 1.00 54.14 H new ATOM 0 HD12 LEU A 38 3.536 -6.496 6.241 1.00 54.14 H new ATOM 0 HD13 LEU A 38 2.388 -6.910 4.946 1.00 54.14 H new ATOM 0 HD21 LEU A 38 0.253 -8.116 6.823 1.00 4.32 H new ATOM 0 HD22 LEU A 38 0.781 -8.904 5.317 1.00 4.32 H new ATOM 0 HD23 LEU A 38 0.870 -9.785 6.860 1.00 4.32 H new ATOM 655 N LYS A 39 5.397 -10.094 8.321 1.00 42.34 N ATOM 656 CA LYS A 39 5.766 -10.269 9.732 1.00 30.34 C ATOM 657 C LYS A 39 7.045 -9.489 10.093 1.00 44.13 C ATOM 658 O LYS A 39 7.128 -8.858 11.150 1.00 2.03 O ATOM 659 CB LYS A 39 5.969 -11.766 10.016 1.00 72.45 C ATOM 660 CG LYS A 39 6.539 -12.075 11.399 1.00 4.31 C ATOM 661 CD LYS A 39 6.738 -13.575 11.614 1.00 73.23 C ATOM 662 CE LYS A 39 7.713 -14.178 10.601 1.00 5.24 C ATOM 663 NZ LYS A 39 9.071 -13.571 10.688 1.00 15.00 N ATOM 0 H LYS A 39 5.324 -10.969 7.802 1.00 42.34 H new ATOM 0 HA LYS A 39 4.958 -9.873 10.347 1.00 30.34 H new ATOM 0 HB2 LYS A 39 5.012 -12.277 9.909 1.00 72.45 H new ATOM 0 HB3 LYS A 39 6.637 -12.179 9.261 1.00 72.45 H new ATOM 0 HG2 LYS A 39 7.493 -11.562 11.521 1.00 4.31 H new ATOM 0 HG3 LYS A 39 5.867 -11.685 12.164 1.00 4.31 H new ATOM 0 HD2 LYS A 39 7.111 -13.750 12.623 1.00 73.23 H new ATOM 0 HD3 LYS A 39 5.776 -14.082 11.537 1.00 73.23 H new ATOM 0 HE2 LYS A 39 7.787 -15.253 10.768 1.00 5.24 H new ATOM 0 HE3 LYS A 39 7.319 -14.038 9.594 1.00 5.24 H new ATOM 0 HZ1 LYS A 39 9.788 -14.293 10.473 1.00 15.00 H new ATOM 0 HZ2 LYS A 39 9.148 -12.792 10.003 1.00 15.00 H new ATOM 0 HZ3 LYS A 39 9.226 -13.204 11.648 1.00 15.00 H new ATOM 677 N ASP A 40 8.031 -9.522 9.199 1.00 34.30 N ATOM 678 CA ASP A 40 9.348 -8.924 9.464 1.00 3.45 C ATOM 679 C ASP A 40 9.334 -7.383 9.396 1.00 21.23 C ATOM 680 O ASP A 40 10.336 -6.734 9.711 1.00 12.04 O ATOM 681 CB ASP A 40 10.376 -9.484 8.476 1.00 0.52 C ATOM 682 CG ASP A 40 10.439 -11.002 8.511 1.00 35.24 C ATOM 683 OD1 ASP A 40 10.460 -11.578 9.618 1.00 13.34 O ATOM 684 OD2 ASP A 40 10.459 -11.630 7.434 1.00 44.14 O ATOM 0 H ASP A 40 7.947 -9.957 8.280 1.00 34.30 H new ATOM 0 HA ASP A 40 9.622 -9.190 10.485 1.00 3.45 H new ATOM 0 HB2 ASP A 40 10.124 -9.156 7.468 1.00 0.52 H new ATOM 0 HB3 ASP A 40 11.360 -9.076 8.708 1.00 0.52 H new ATOM 689 N SER A 41 8.203 -6.799 8.997 1.00 43.50 N ATOM 690 CA SER A 41 8.081 -5.333 8.901 1.00 73.12 C ATOM 691 C SER A 41 8.096 -4.684 10.289 1.00 31.21 C ATOM 692 O SER A 41 8.781 -3.684 10.517 1.00 50.12 O ATOM 693 CB SER A 41 6.788 -4.939 8.174 1.00 0.24 C ATOM 694 OG SER A 41 5.644 -5.278 8.939 1.00 33.23 O ATOM 0 H SER A 41 7.360 -7.310 8.735 1.00 43.50 H new ATOM 0 HA SER A 41 8.939 -4.974 8.332 1.00 73.12 H new ATOM 0 HB2 SER A 41 6.791 -3.867 7.976 1.00 0.24 H new ATOM 0 HB3 SER A 41 6.744 -5.441 7.208 1.00 0.24 H new ATOM 0 HG SER A 41 5.461 -6.236 8.847 1.00 33.23 H new ATOM 863 N ALA A 51 12.515 5.924 8.053 1.00 3.12 N ATOM 864 CA ALA A 51 11.498 6.511 7.173 1.00 54.30 C ATOM 865 C ALA A 51 11.067 5.499 6.097 1.00 65.33 C ATOM 866 O ALA A 51 11.401 5.640 4.922 1.00 10.44 O ATOM 867 CB ALA A 51 12.023 7.796 6.534 1.00 24.40 C ATOM 0 HA ALA A 51 10.623 6.762 7.772 1.00 54.30 H new ATOM 0 HB1 ALA A 51 11.257 8.219 5.884 1.00 24.40 H new ATOM 0 HB2 ALA A 51 12.274 8.514 7.314 1.00 24.40 H new ATOM 0 HB3 ALA A 51 12.914 7.573 5.947 1.00 24.40 H new ATOM 873 N THR A 52 10.334 4.469 6.519 1.00 21.43 N ATOM 874 CA THR A 52 9.988 3.344 5.637 1.00 62.42 C ATOM 875 C THR A 52 8.529 3.393 5.162 1.00 25.31 C ATOM 876 O THR A 52 7.606 3.633 5.950 1.00 60.31 O ATOM 877 CB THR A 52 10.226 1.980 6.341 1.00 53.45 C ATOM 878 OG1 THR A 52 11.573 1.899 6.832 1.00 4.41 O ATOM 879 CG2 THR A 52 9.966 0.811 5.391 1.00 60.01 C ATOM 0 H THR A 52 9.966 4.386 7.467 1.00 21.43 H new ATOM 0 HA THR A 52 10.643 3.439 4.771 1.00 62.42 H new ATOM 0 HB THR A 52 9.527 1.915 7.175 1.00 53.45 H new ATOM 0 HG1 THR A 52 11.708 1.035 7.275 1.00 4.41 H new ATOM 0 HG21 THR A 52 10.141 -0.129 5.914 1.00 60.01 H new ATOM 0 HG22 THR A 52 8.933 0.846 5.045 1.00 60.01 H new ATOM 0 HG23 THR A 52 10.638 0.881 4.536 1.00 60.01 H new ATOM 887 N ILE A 53 8.337 3.163 3.864 1.00 32.15 N ATOM 888 CA ILE A 53 7.007 2.977 3.277 1.00 75.50 C ATOM 889 C ILE A 53 6.922 1.591 2.612 1.00 21.14 C ATOM 890 O ILE A 53 7.653 1.297 1.663 1.00 24.33 O ATOM 891 CB ILE A 53 6.680 4.078 2.234 1.00 63.21 C ATOM 892 CG1 ILE A 53 6.699 5.468 2.898 1.00 14.33 C ATOM 893 CG2 ILE A 53 5.326 3.813 1.570 1.00 1.55 C ATOM 894 CD1 ILE A 53 6.314 6.605 1.971 1.00 44.52 C ATOM 0 H ILE A 53 9.098 3.100 3.188 1.00 32.15 H new ATOM 0 HA ILE A 53 6.274 3.050 4.081 1.00 75.50 H new ATOM 0 HB ILE A 53 7.446 4.055 1.459 1.00 63.21 H new ATOM 0 HG12 ILE A 53 6.018 5.461 3.749 1.00 14.33 H new ATOM 0 HG13 ILE A 53 7.698 5.657 3.291 1.00 14.33 H new ATOM 0 HG21 ILE A 53 5.118 4.598 0.843 1.00 1.55 H new ATOM 0 HG22 ILE A 53 5.351 2.847 1.065 1.00 1.55 H new ATOM 0 HG23 ILE A 53 4.544 3.805 2.329 1.00 1.55 H new ATOM 0 HD11 ILE A 53 6.353 7.548 2.516 1.00 44.52 H new ATOM 0 HD12 ILE A 53 7.009 6.642 1.132 1.00 44.52 H new ATOM 0 HD13 ILE A 53 5.303 6.443 1.597 1.00 44.52 H new ATOM 906 N VAL A 54 6.041 0.734 3.122 1.00 3.22 N ATOM 907 CA VAL A 54 5.949 -0.651 2.649 1.00 41.03 C ATOM 908 C VAL A 54 4.841 -0.833 1.594 1.00 51.05 C ATOM 909 O VAL A 54 3.724 -0.328 1.740 1.00 32.25 O ATOM 910 CB VAL A 54 5.728 -1.630 3.833 1.00 34.22 C ATOM 911 CG1 VAL A 54 4.442 -1.302 4.584 1.00 51.02 C ATOM 912 CG2 VAL A 54 5.731 -3.083 3.354 1.00 61.21 C ATOM 0 H VAL A 54 5.380 0.971 3.862 1.00 3.22 H new ATOM 0 HA VAL A 54 6.901 -0.884 2.172 1.00 41.03 H new ATOM 0 HB VAL A 54 6.559 -1.506 4.527 1.00 34.22 H new ATOM 0 HG11 VAL A 54 4.313 -2.004 5.408 1.00 51.02 H new ATOM 0 HG12 VAL A 54 4.499 -0.287 4.977 1.00 51.02 H new ATOM 0 HG13 VAL A 54 3.594 -1.380 3.904 1.00 51.02 H new ATOM 0 HG21 VAL A 54 5.574 -3.747 4.204 1.00 61.21 H new ATOM 0 HG22 VAL A 54 4.931 -3.228 2.628 1.00 61.21 H new ATOM 0 HG23 VAL A 54 6.690 -3.311 2.888 1.00 61.21 H new ATOM 922 N VAL A 55 5.168 -1.552 0.524 1.00 31.24 N ATOM 923 CA VAL A 55 4.230 -1.797 -0.576 1.00 65.42 C ATOM 924 C VAL A 55 3.892 -3.290 -0.696 1.00 61.33 C ATOM 925 O VAL A 55 4.762 -4.113 -0.973 1.00 14.31 O ATOM 926 CB VAL A 55 4.815 -1.297 -1.923 1.00 63.31 C ATOM 927 CG1 VAL A 55 3.825 -1.520 -3.066 1.00 42.44 C ATOM 928 CG2 VAL A 55 5.218 0.174 -1.831 1.00 63.14 C ATOM 0 H VAL A 55 6.084 -1.981 0.392 1.00 31.24 H new ATOM 0 HA VAL A 55 3.318 -1.244 -0.351 1.00 65.42 H new ATOM 0 HB VAL A 55 5.711 -1.879 -2.136 1.00 63.31 H new ATOM 0 HG11 VAL A 55 4.259 -1.161 -3.999 1.00 42.44 H new ATOM 0 HG12 VAL A 55 3.605 -2.584 -3.154 1.00 42.44 H new ATOM 0 HG13 VAL A 55 2.904 -0.974 -2.861 1.00 42.44 H new ATOM 0 HG21 VAL A 55 5.625 0.500 -2.788 1.00 63.14 H new ATOM 0 HG22 VAL A 55 4.343 0.776 -1.584 1.00 63.14 H new ATOM 0 HG23 VAL A 55 5.973 0.296 -1.055 1.00 63.14 H new ATOM 938 N VAL A 56 2.628 -3.636 -0.477 1.00 40.32 N ATOM 939 CA VAL A 56 2.173 -5.024 -0.596 1.00 0.23 C ATOM 940 C VAL A 56 1.730 -5.340 -2.035 1.00 2.23 C ATOM 941 O VAL A 56 0.737 -4.800 -2.532 1.00 11.14 O ATOM 942 CB VAL A 56 1.008 -5.324 0.384 1.00 63.41 C ATOM 943 CG1 VAL A 56 0.563 -6.784 0.278 1.00 55.41 C ATOM 944 CG2 VAL A 56 1.411 -4.981 1.820 1.00 10.24 C ATOM 0 H VAL A 56 1.896 -2.976 -0.215 1.00 40.32 H new ATOM 0 HA VAL A 56 3.019 -5.661 -0.337 1.00 0.23 H new ATOM 0 HB VAL A 56 0.162 -4.696 0.106 1.00 63.41 H new ATOM 0 HG11 VAL A 56 -0.254 -6.967 0.976 1.00 55.41 H new ATOM 0 HG12 VAL A 56 0.226 -6.989 -0.738 1.00 55.41 H new ATOM 0 HG13 VAL A 56 1.400 -7.438 0.521 1.00 55.41 H new ATOM 0 HG21 VAL A 56 0.581 -5.198 2.493 1.00 10.24 H new ATOM 0 HG22 VAL A 56 2.277 -5.578 2.107 1.00 10.24 H new ATOM 0 HG23 VAL A 56 1.663 -3.922 1.884 1.00 10.24 H new ATOM 954 N VAL A 57 2.483 -6.210 -2.699 1.00 51.12 N ATOM 955 CA VAL A 57 2.180 -6.609 -4.074 1.00 65.32 C ATOM 956 C VAL A 57 1.176 -7.769 -4.104 1.00 12.13 C ATOM 957 O VAL A 57 1.468 -8.875 -3.643 1.00 35.41 O ATOM 958 CB VAL A 57 3.464 -7.020 -4.834 1.00 74.32 C ATOM 959 CG1 VAL A 57 3.151 -7.377 -6.287 1.00 74.42 C ATOM 960 CG2 VAL A 57 4.510 -5.909 -4.760 1.00 35.00 C ATOM 0 H VAL A 57 3.312 -6.656 -2.307 1.00 51.12 H new ATOM 0 HA VAL A 57 1.738 -5.744 -4.569 1.00 65.32 H new ATOM 0 HB VAL A 57 3.873 -7.908 -4.353 1.00 74.32 H new ATOM 0 HG11 VAL A 57 4.071 -7.662 -6.798 1.00 74.42 H new ATOM 0 HG12 VAL A 57 2.448 -8.210 -6.314 1.00 74.42 H new ATOM 0 HG13 VAL A 57 2.711 -6.514 -6.787 1.00 74.42 H new ATOM 0 HG21 VAL A 57 5.406 -6.216 -5.300 1.00 35.00 H new ATOM 0 HG22 VAL A 57 4.109 -5.001 -5.210 1.00 35.00 H new ATOM 0 HG23 VAL A 57 4.763 -5.716 -3.717 1.00 35.00 H new ATOM 970 N VAL A 58 -0.009 -7.513 -4.653 1.00 11.01 N ATOM 971 CA VAL A 58 -1.089 -8.499 -4.656 1.00 13.10 C ATOM 972 C VAL A 58 -1.538 -8.873 -6.078 1.00 11.53 C ATOM 973 O VAL A 58 -1.400 -8.091 -7.020 1.00 4.45 O ATOM 974 CB VAL A 58 -2.311 -7.987 -3.851 1.00 5.41 C ATOM 975 CG1 VAL A 58 -1.900 -7.626 -2.423 1.00 34.02 C ATOM 976 CG2 VAL A 58 -2.968 -6.793 -4.544 1.00 33.42 C ATOM 0 H VAL A 58 -0.247 -6.629 -5.103 1.00 11.01 H new ATOM 0 HA VAL A 58 -0.687 -9.394 -4.181 1.00 13.10 H new ATOM 0 HB VAL A 58 -3.045 -8.791 -3.806 1.00 5.41 H new ATOM 0 HG11 VAL A 58 -2.771 -7.269 -1.873 1.00 34.02 H new ATOM 0 HG12 VAL A 58 -1.495 -8.508 -1.927 1.00 34.02 H new ATOM 0 HG13 VAL A 58 -1.141 -6.844 -2.449 1.00 34.02 H new ATOM 0 HG21 VAL A 58 -3.822 -6.456 -3.956 1.00 33.42 H new ATOM 0 HG22 VAL A 58 -2.246 -5.982 -4.633 1.00 33.42 H new ATOM 0 HG23 VAL A 58 -3.305 -7.089 -5.537 1.00 33.42 H new ATOM 986 N ASP A 59 -2.060 -10.088 -6.225 1.00 4.05 N ATOM 987 CA ASP A 59 -2.608 -10.552 -7.503 1.00 44.55 C ATOM 988 C ASP A 59 -4.142 -10.392 -7.548 1.00 51.10 C ATOM 989 O ASP A 59 -4.702 -9.961 -8.559 1.00 2.34 O ATOM 990 CB ASP A 59 -2.214 -12.014 -7.735 1.00 11.21 C ATOM 991 CG ASP A 59 -2.667 -12.915 -6.602 1.00 75.34 C ATOM 992 OD1 ASP A 59 -2.057 -12.855 -5.516 1.00 54.41 O ATOM 993 OD2 ASP A 59 -3.647 -13.668 -6.787 1.00 65.31 O ATOM 0 H ASP A 59 -2.116 -10.774 -5.473 1.00 4.05 H new ATOM 0 HA ASP A 59 -2.190 -9.937 -8.299 1.00 44.55 H new ATOM 0 HB2 ASP A 59 -2.651 -12.362 -8.671 1.00 11.21 H new ATOM 0 HB3 ASP A 59 -1.132 -12.084 -7.843 1.00 11.21 H new ATOM 998 N ASP A 60 -4.814 -10.735 -6.444 1.00 42.22 N ATOM 999 CA ASP A 60 -6.274 -10.613 -6.355 1.00 64.41 C ATOM 1000 C ASP A 60 -6.695 -10.008 -4.989 1.00 2.20 C ATOM 1001 O ASP A 60 -5.893 -9.363 -4.310 1.00 15.04 O ATOM 1002 CB ASP A 60 -6.931 -11.991 -6.588 1.00 42.13 C ATOM 1003 CG ASP A 60 -8.365 -11.895 -7.114 1.00 24.44 C ATOM 1004 OD1 ASP A 60 -9.010 -10.835 -6.940 1.00 5.12 O ATOM 1005 OD2 ASP A 60 -8.859 -12.883 -7.695 1.00 1.05 O ATOM 0 H ASP A 60 -4.371 -11.099 -5.600 1.00 42.22 H new ATOM 0 HA ASP A 60 -6.621 -9.932 -7.132 1.00 64.41 H new ATOM 0 HB2 ASP A 60 -6.328 -12.558 -7.297 1.00 42.13 H new ATOM 0 HB3 ASP A 60 -6.931 -12.549 -5.652 1.00 42.13 H new ATOM 1010 N LYS A 61 -7.946 -10.238 -4.587 1.00 24.14 N ATOM 1011 CA LYS A 61 -8.566 -9.518 -3.467 1.00 41.42 C ATOM 1012 C LYS A 61 -8.214 -10.107 -2.084 1.00 52.52 C ATOM 1013 O LYS A 61 -7.826 -9.368 -1.177 1.00 3.52 O ATOM 1014 CB LYS A 61 -10.093 -9.498 -3.670 1.00 71.01 C ATOM 1015 CG LYS A 61 -10.744 -10.881 -3.619 1.00 11.22 C ATOM 1016 CD LYS A 61 -12.199 -10.868 -4.095 1.00 33.02 C ATOM 1017 CE LYS A 61 -12.321 -11.037 -5.611 1.00 23.33 C ATOM 1018 NZ LYS A 61 -11.639 -9.956 -6.374 1.00 1.42 N ATOM 0 H LYS A 61 -8.559 -10.926 -5.025 1.00 24.14 H new ATOM 0 HA LYS A 61 -8.164 -8.505 -3.469 1.00 41.42 H new ATOM 0 HB2 LYS A 61 -10.543 -8.867 -2.904 1.00 71.01 H new ATOM 0 HB3 LYS A 61 -10.316 -9.038 -4.633 1.00 71.01 H new ATOM 0 HG2 LYS A 61 -10.170 -11.571 -4.237 1.00 11.22 H new ATOM 0 HG3 LYS A 61 -10.704 -11.259 -2.598 1.00 11.22 H new ATOM 0 HD2 LYS A 61 -12.748 -11.668 -3.598 1.00 33.02 H new ATOM 0 HD3 LYS A 61 -12.667 -9.929 -3.799 1.00 33.02 H new ATOM 0 HE2 LYS A 61 -11.898 -12.000 -5.899 1.00 23.33 H new ATOM 0 HE3 LYS A 61 -13.376 -11.058 -5.885 1.00 23.33 H new ATOM 0 HZ1 LYS A 61 -11.882 -10.036 -7.382 1.00 1.42 H new ATOM 0 HZ2 LYS A 61 -11.949 -9.030 -6.016 1.00 1.42 H new ATOM 0 HZ3 LYS A 61 -10.609 -10.045 -6.258 1.00 1.42 H new ATOM 1032 N GLU A 62 -8.340 -11.426 -1.917 1.00 23.13 N ATOM 1033 CA GLU A 62 -8.174 -12.045 -0.594 1.00 22.14 C ATOM 1034 C GLU A 62 -6.738 -11.902 -0.065 1.00 75.40 C ATOM 1035 O GLU A 62 -6.535 -11.598 1.109 1.00 12.34 O ATOM 1036 CB GLU A 62 -8.576 -13.525 -0.614 1.00 20.10 C ATOM 1037 CG GLU A 62 -8.550 -14.169 0.770 1.00 4.04 C ATOM 1038 CD GLU A 62 -8.883 -15.650 0.748 1.00 71.34 C ATOM 1039 OE1 GLU A 62 -10.082 -15.998 0.807 1.00 73.52 O ATOM 1040 OE2 GLU A 62 -7.947 -16.472 0.673 1.00 64.51 O ATOM 0 H GLU A 62 -8.554 -12.081 -2.669 1.00 23.13 H new ATOM 0 HA GLU A 62 -8.839 -11.509 0.083 1.00 22.14 H new ATOM 0 HB2 GLU A 62 -9.578 -13.618 -1.033 1.00 20.10 H new ATOM 0 HB3 GLU A 62 -7.902 -14.070 -1.275 1.00 20.10 H new ATOM 0 HG2 GLU A 62 -7.562 -14.032 1.209 1.00 4.04 H new ATOM 0 HG3 GLU A 62 -9.260 -13.653 1.417 1.00 4.04 H new ATOM 1047 N TRP A 63 -5.745 -12.135 -0.922 1.00 51.43 N ATOM 1048 CA TRP A 63 -4.341 -11.930 -0.543 1.00 20.12 C ATOM 1049 C TRP A 63 -4.127 -10.515 0.036 1.00 40.21 C ATOM 1050 O TRP A 63 -3.455 -10.342 1.055 1.00 34.01 O ATOM 1051 CB TRP A 63 -3.423 -12.188 -1.751 1.00 55.13 C ATOM 1052 CG TRP A 63 -1.991 -11.771 -1.548 1.00 50.11 C ATOM 1053 CD1 TRP A 63 -1.217 -11.083 -2.435 1.00 33.45 C ATOM 1054 CD2 TRP A 63 -1.163 -12.000 -0.395 1.00 44.51 C ATOM 1055 NE1 TRP A 63 0.028 -10.856 -1.909 1.00 32.54 N ATOM 1056 CE2 TRP A 63 0.088 -11.411 -0.659 1.00 40.42 C ATOM 1057 CE3 TRP A 63 -1.356 -12.639 0.833 1.00 64.30 C ATOM 1058 CZ2 TRP A 63 1.135 -11.442 0.257 1.00 4.44 C ATOM 1059 CZ3 TRP A 63 -0.315 -12.670 1.741 1.00 3.45 C ATOM 1060 CH2 TRP A 63 0.914 -12.073 1.450 1.00 33.52 C ATOM 0 H TRP A 63 -5.881 -12.464 -1.878 1.00 51.43 H new ATOM 0 HA TRP A 63 -4.082 -12.644 0.239 1.00 20.12 H new ATOM 0 HB2 TRP A 63 -3.448 -13.251 -1.990 1.00 55.13 H new ATOM 0 HB3 TRP A 63 -3.823 -11.658 -2.615 1.00 55.13 H new ATOM 0 HD1 TRP A 63 -1.540 -10.762 -3.414 1.00 33.45 H new ATOM 0 HE1 TRP A 63 0.786 -10.355 -2.373 1.00 32.54 H new ATOM 0 HE3 TRP A 63 -2.303 -13.101 1.068 1.00 64.30 H new ATOM 0 HZ2 TRP A 63 2.087 -10.984 0.034 1.00 4.44 H new ATOM 0 HZ3 TRP A 63 -0.454 -13.164 2.691 1.00 3.45 H new ATOM 0 HH2 TRP A 63 1.706 -12.111 2.183 1.00 33.52 H new ATOM 1071 N ALA A 64 -4.723 -9.512 -0.603 1.00 11.34 N ATOM 1072 CA ALA A 64 -4.684 -8.139 -0.084 1.00 41.53 C ATOM 1073 C ALA A 64 -5.442 -8.028 1.253 1.00 33.42 C ATOM 1074 O ALA A 64 -4.993 -7.357 2.185 1.00 22.44 O ATOM 1075 CB ALA A 64 -5.261 -7.173 -1.112 1.00 61.04 C ATOM 0 H ALA A 64 -5.238 -9.618 -1.477 1.00 11.34 H new ATOM 0 HA ALA A 64 -3.643 -7.873 0.102 1.00 41.53 H new ATOM 0 HB1 ALA A 64 -5.227 -6.158 -0.717 1.00 61.04 H new ATOM 0 HB2 ALA A 64 -4.675 -7.225 -2.029 1.00 61.04 H new ATOM 0 HB3 ALA A 64 -6.295 -7.445 -1.326 1.00 61.04 H new ATOM 1081 N GLU A 65 -6.592 -8.701 1.333 1.00 22.21 N ATOM 1082 CA GLU A 65 -7.404 -8.746 2.558 1.00 63.21 C ATOM 1083 C GLU A 65 -6.582 -9.254 3.756 1.00 10.32 C ATOM 1084 O GLU A 65 -6.658 -8.696 4.850 1.00 21.21 O ATOM 1085 CB GLU A 65 -8.644 -9.634 2.319 1.00 43.25 C ATOM 1086 CG GLU A 65 -9.585 -9.796 3.518 1.00 63.14 C ATOM 1087 CD GLU A 65 -9.191 -10.932 4.463 1.00 44.52 C ATOM 1088 OE1 GLU A 65 -9.249 -12.108 4.040 1.00 44.04 O ATOM 1089 OE2 GLU A 65 -8.829 -10.656 5.627 1.00 21.44 O ATOM 0 H GLU A 65 -6.988 -9.229 0.556 1.00 22.21 H new ATOM 0 HA GLU A 65 -7.731 -7.735 2.800 1.00 63.21 H new ATOM 0 HB2 GLU A 65 -9.212 -9.217 1.488 1.00 43.25 H new ATOM 0 HB3 GLU A 65 -8.306 -10.623 2.009 1.00 43.25 H new ATOM 0 HG2 GLU A 65 -9.608 -8.861 4.078 1.00 63.14 H new ATOM 0 HG3 GLU A 65 -10.596 -9.974 3.153 1.00 63.14 H new ATOM 1096 N LYS A 66 -5.786 -10.299 3.530 1.00 70.43 N ATOM 1097 CA LYS A 66 -4.919 -10.873 4.572 1.00 44.14 C ATOM 1098 C LYS A 66 -3.967 -9.819 5.157 1.00 22.24 C ATOM 1099 O LYS A 66 -3.792 -9.727 6.376 1.00 33.33 O ATOM 1100 CB LYS A 66 -4.095 -12.030 3.991 1.00 61.13 C ATOM 1101 CG LYS A 66 -4.938 -13.136 3.366 1.00 54.12 C ATOM 1102 CD LYS A 66 -4.069 -14.164 2.649 1.00 73.21 C ATOM 1103 CE LYS A 66 -4.909 -15.180 1.884 1.00 34.13 C ATOM 1104 NZ LYS A 66 -5.738 -16.021 2.784 1.00 5.05 N ATOM 0 H LYS A 66 -5.720 -10.772 2.629 1.00 70.43 H new ATOM 0 HA LYS A 66 -5.563 -11.238 5.372 1.00 44.14 H new ATOM 0 HB2 LYS A 66 -3.414 -11.635 3.237 1.00 61.13 H new ATOM 0 HB3 LYS A 66 -3.480 -12.459 4.782 1.00 61.13 H new ATOM 0 HG2 LYS A 66 -5.524 -13.630 4.141 1.00 54.12 H new ATOM 0 HG3 LYS A 66 -5.646 -12.701 2.660 1.00 54.12 H new ATOM 0 HD2 LYS A 66 -3.397 -13.654 1.958 1.00 73.21 H new ATOM 0 HD3 LYS A 66 -3.444 -14.683 3.376 1.00 73.21 H new ATOM 0 HE2 LYS A 66 -5.557 -14.656 1.181 1.00 34.13 H new ATOM 0 HE3 LYS A 66 -4.252 -15.821 1.295 1.00 34.13 H new ATOM 0 HZ1 LYS A 66 -6.303 -16.684 2.216 1.00 5.05 H new ATOM 0 HZ2 LYS A 66 -5.120 -16.556 3.427 1.00 5.05 H new ATOM 0 HZ3 LYS A 66 -6.373 -15.413 3.340 1.00 5.05 H new ATOM 1118 N ALA A 67 -3.349 -9.035 4.275 1.00 13.11 N ATOM 1119 CA ALA A 67 -2.418 -7.978 4.686 1.00 35.50 C ATOM 1120 C ALA A 67 -3.128 -6.879 5.493 1.00 55.41 C ATOM 1121 O ALA A 67 -2.673 -6.490 6.571 1.00 64.13 O ATOM 1122 CB ALA A 67 -1.728 -7.381 3.464 1.00 73.42 C ATOM 0 H ALA A 67 -3.475 -9.110 3.266 1.00 13.11 H new ATOM 0 HA ALA A 67 -1.667 -8.428 5.335 1.00 35.50 H new ATOM 0 HB1 ALA A 67 -1.040 -6.598 3.781 1.00 73.42 H new ATOM 0 HB2 ALA A 67 -1.174 -8.161 2.942 1.00 73.42 H new ATOM 0 HB3 ALA A 67 -2.476 -6.957 2.795 1.00 73.42 H new ATOM 1128 N ILE A 68 -4.253 -6.391 4.968 1.00 50.22 N ATOM 1129 CA ILE A 68 -5.043 -5.361 5.653 1.00 4.41 C ATOM 1130 C ILE A 68 -5.583 -5.883 6.997 1.00 12.43 C ATOM 1131 O ILE A 68 -5.697 -5.138 7.974 1.00 13.24 O ATOM 1132 CB ILE A 68 -6.229 -4.878 4.773 1.00 63.04 C ATOM 1133 CG1 ILE A 68 -5.729 -4.441 3.383 1.00 11.12 C ATOM 1134 CG2 ILE A 68 -6.987 -3.736 5.456 1.00 43.22 C ATOM 1135 CD1 ILE A 68 -4.627 -3.399 3.417 1.00 52.42 C ATOM 0 H ILE A 68 -4.639 -6.690 4.072 1.00 50.22 H new ATOM 0 HA ILE A 68 -4.378 -4.518 5.838 1.00 4.41 H new ATOM 0 HB ILE A 68 -6.918 -5.713 4.645 1.00 63.04 H new ATOM 0 HG12 ILE A 68 -5.367 -5.319 2.847 1.00 11.12 H new ATOM 0 HG13 ILE A 68 -6.571 -4.045 2.815 1.00 11.12 H new ATOM 0 HG21 ILE A 68 -7.812 -3.416 4.820 1.00 43.22 H new ATOM 0 HG22 ILE A 68 -7.379 -4.081 6.413 1.00 43.22 H new ATOM 0 HG23 ILE A 68 -6.310 -2.898 5.622 1.00 43.22 H new ATOM 0 HD11 ILE A 68 -4.333 -3.147 2.398 1.00 52.42 H new ATOM 0 HD12 ILE A 68 -4.989 -2.503 3.922 1.00 52.42 H new ATOM 0 HD13 ILE A 68 -3.767 -3.797 3.955 1.00 52.42 H new ATOM 1147 N ARG A 69 -5.901 -7.177 7.034 1.00 52.24 N ATOM 1148 CA ARG A 69 -6.372 -7.832 8.258 1.00 70.41 C ATOM 1149 C ARG A 69 -5.275 -7.844 9.330 1.00 24.50 C ATOM 1150 O ARG A 69 -5.536 -7.585 10.503 1.00 1.43 O ATOM 1151 CB ARG A 69 -6.816 -9.269 7.952 1.00 1.24 C ATOM 1152 CG ARG A 69 -7.477 -9.981 9.128 1.00 60.44 C ATOM 1153 CD ARG A 69 -7.887 -11.406 8.767 1.00 43.01 C ATOM 1154 NE ARG A 69 -6.731 -12.272 8.535 1.00 14.02 N ATOM 1155 CZ ARG A 69 -6.533 -12.972 7.449 1.00 44.31 C ATOM 1156 NH1 ARG A 69 -7.316 -12.847 6.424 1.00 52.40 N ATOM 1157 NH2 ARG A 69 -5.524 -13.774 7.387 1.00 73.30 N ATOM 0 H ARG A 69 -5.841 -7.797 6.226 1.00 52.24 H new ATOM 0 HA ARG A 69 -7.222 -7.266 8.640 1.00 70.41 H new ATOM 0 HB2 ARG A 69 -7.512 -9.252 7.114 1.00 1.24 H new ATOM 0 HB3 ARG A 69 -5.948 -9.846 7.633 1.00 1.24 H new ATOM 0 HG2 ARG A 69 -6.789 -10.003 9.973 1.00 60.44 H new ATOM 0 HG3 ARG A 69 -8.355 -9.419 9.447 1.00 60.44 H new ATOM 0 HD2 ARG A 69 -8.495 -11.822 9.571 1.00 43.01 H new ATOM 0 HD3 ARG A 69 -8.510 -11.387 7.873 1.00 43.01 H new ATOM 0 HE ARG A 69 -6.030 -12.334 9.273 1.00 14.02 H new ATOM 0 HH11 ARG A 69 -8.100 -12.195 6.458 1.00 52.40 H new ATOM 0 HH12 ARG A 69 -7.148 -13.400 5.584 1.00 52.40 H new ATOM 0 HH21 ARG A 69 -4.889 -13.857 8.181 1.00 73.30 H new ATOM 0 HH22 ARG A 69 -5.361 -14.324 6.544 1.00 73.30 H new ATOM 1171 N PHE A 70 -4.045 -8.142 8.915 1.00 12.12 N ATOM 1172 CA PHE A 70 -2.897 -8.148 9.828 1.00 44.31 C ATOM 1173 C PHE A 70 -2.708 -6.768 10.484 1.00 64.04 C ATOM 1174 O PHE A 70 -2.450 -6.665 11.686 1.00 25.21 O ATOM 1175 CB PHE A 70 -1.628 -8.559 9.071 1.00 1.35 C ATOM 1176 CG PHE A 70 -0.414 -8.726 9.953 1.00 70.11 C ATOM 1177 CD1 PHE A 70 -0.257 -9.867 10.729 1.00 51.33 C ATOM 1178 CD2 PHE A 70 0.573 -7.749 10.000 1.00 52.23 C ATOM 1179 CE1 PHE A 70 0.855 -10.026 11.534 1.00 72.30 C ATOM 1180 CE2 PHE A 70 1.685 -7.907 10.804 1.00 13.51 C ATOM 1181 CZ PHE A 70 1.826 -9.046 11.572 1.00 11.21 C ATOM 0 H PHE A 70 -3.815 -8.383 7.951 1.00 12.12 H new ATOM 0 HA PHE A 70 -3.089 -8.873 10.619 1.00 44.31 H new ATOM 0 HB2 PHE A 70 -1.817 -9.497 8.549 1.00 1.35 H new ATOM 0 HB3 PHE A 70 -1.412 -7.808 8.311 1.00 1.35 H new ATOM 0 HD1 PHE A 70 -1.012 -10.639 10.703 1.00 51.33 H new ATOM 0 HD2 PHE A 70 0.470 -6.856 9.401 1.00 52.23 H new ATOM 0 HE1 PHE A 70 0.964 -10.918 12.134 1.00 72.30 H new ATOM 0 HE2 PHE A 70 2.444 -7.140 10.832 1.00 13.51 H new ATOM 0 HZ PHE A 70 2.695 -9.170 12.201 1.00 11.21 H new ATOM 1191 N VAL A 71 -2.850 -5.707 9.688 1.00 62.40 N ATOM 1192 CA VAL A 71 -2.778 -4.337 10.209 1.00 2.50 C ATOM 1193 C VAL A 71 -3.956 -4.050 11.158 1.00 64.11 C ATOM 1194 O VAL A 71 -3.813 -3.341 12.159 1.00 4.12 O ATOM 1195 CB VAL A 71 -2.764 -3.290 9.066 1.00 52.04 C ATOM 1196 CG1 VAL A 71 -2.548 -1.880 9.620 1.00 23.41 C ATOM 1197 CG2 VAL A 71 -1.699 -3.637 8.027 1.00 42.12 C ATOM 0 H VAL A 71 -3.015 -5.767 8.683 1.00 62.40 H new ATOM 0 HA VAL A 71 -1.842 -4.254 10.762 1.00 2.50 H new ATOM 0 HB VAL A 71 -3.736 -3.312 8.574 1.00 52.04 H new ATOM 0 HG11 VAL A 71 -2.542 -1.163 8.799 1.00 23.41 H new ATOM 0 HG12 VAL A 71 -3.354 -1.633 10.311 1.00 23.41 H new ATOM 0 HG13 VAL A 71 -1.594 -1.838 10.145 1.00 23.41 H new ATOM 0 HG21 VAL A 71 -1.707 -2.889 7.234 1.00 42.12 H new ATOM 0 HG22 VAL A 71 -0.718 -3.652 8.502 1.00 42.12 H new ATOM 0 HG23 VAL A 71 -1.911 -4.618 7.602 1.00 42.12 H new ATOM 1207 N LYS A 72 -5.125 -4.608 10.834 1.00 5.31 N ATOM 1208 CA LYS A 72 -6.294 -4.529 11.720 1.00 50.40 C ATOM 1209 C LYS A 72 -5.998 -5.211 13.066 1.00 21.33 C ATOM 1210 O LYS A 72 -6.378 -4.708 14.127 1.00 44.43 O ATOM 1211 CB LYS A 72 -7.520 -5.184 11.052 1.00 42.14 C ATOM 1212 CG LYS A 72 -8.811 -5.144 11.884 1.00 13.02 C ATOM 1213 CD LYS A 72 -9.622 -3.855 11.693 1.00 33.53 C ATOM 1214 CE LYS A 72 -8.933 -2.622 12.270 1.00 20.31 C ATOM 1215 NZ LYS A 72 -9.781 -1.405 12.146 1.00 64.11 N ATOM 0 H LYS A 72 -5.289 -5.119 9.967 1.00 5.31 H new ATOM 0 HA LYS A 72 -6.514 -3.477 11.904 1.00 50.40 H new ATOM 0 HB2 LYS A 72 -7.704 -4.688 10.099 1.00 42.14 H new ATOM 0 HB3 LYS A 72 -7.281 -6.224 10.829 1.00 42.14 H new ATOM 0 HG2 LYS A 72 -9.433 -5.998 11.617 1.00 13.02 H new ATOM 0 HG3 LYS A 72 -8.558 -5.252 12.939 1.00 13.02 H new ATOM 0 HD2 LYS A 72 -9.800 -3.699 10.629 1.00 33.53 H new ATOM 0 HD3 LYS A 72 -10.597 -3.973 12.166 1.00 33.53 H new ATOM 0 HE2 LYS A 72 -8.698 -2.795 13.320 1.00 20.31 H new ATOM 0 HE3 LYS A 72 -7.987 -2.460 11.754 1.00 20.31 H new ATOM 0 HZ1 LYS A 72 -9.234 -0.645 11.693 1.00 64.11 H new ATOM 0 HZ2 LYS A 72 -10.617 -1.622 11.567 1.00 64.11 H new ATOM 0 HZ3 LYS A 72 -10.085 -1.096 13.091 1.00 64.11 H new ATOM 1229 N SER A 73 -5.312 -6.353 13.012 1.00 12.12 N ATOM 1230 CA SER A 73 -4.874 -7.063 14.221 1.00 70.24 C ATOM 1231 C SER A 73 -3.963 -6.176 15.077 1.00 74.30 C ATOM 1232 O SER A 73 -4.062 -6.166 16.305 1.00 42.23 O ATOM 1233 CB SER A 73 -4.136 -8.359 13.855 1.00 14.41 C ATOM 1234 OG SER A 73 -4.961 -9.229 13.098 1.00 74.50 O ATOM 0 H SER A 73 -5.045 -6.811 12.140 1.00 12.12 H new ATOM 0 HA SER A 73 -5.765 -7.313 14.798 1.00 70.24 H new ATOM 0 HB2 SER A 73 -3.238 -8.120 13.285 1.00 14.41 H new ATOM 0 HB3 SER A 73 -3.811 -8.864 14.765 1.00 14.41 H new ATOM 0 HG SER A 73 -5.189 -8.804 12.245 1.00 74.50 H new ATOM 1240 N LEU A 74 -3.082 -5.426 14.416 1.00 10.02 N ATOM 1241 CA LEU A 74 -2.223 -4.449 15.099 1.00 74.23 C ATOM 1242 C LEU A 74 -3.070 -3.366 15.788 1.00 3.31 C ATOM 1243 O LEU A 74 -2.769 -2.934 16.904 1.00 23.35 O ATOM 1244 CB LEU A 74 -1.260 -3.792 14.098 1.00 61.32 C ATOM 1245 CG LEU A 74 -0.335 -4.758 13.340 1.00 30.34 C ATOM 1246 CD1 LEU A 74 0.481 -4.008 12.288 1.00 22.31 C ATOM 1247 CD2 LEU A 74 0.578 -5.504 14.312 1.00 52.42 C ATOM 0 H LEU A 74 -2.941 -5.474 13.407 1.00 10.02 H new ATOM 0 HA LEU A 74 -1.646 -4.979 15.857 1.00 74.23 H new ATOM 0 HB2 LEU A 74 -1.847 -3.232 13.370 1.00 61.32 H new ATOM 0 HB3 LEU A 74 -0.643 -3.071 14.634 1.00 61.32 H new ATOM 0 HG LEU A 74 -0.953 -5.494 12.826 1.00 30.34 H new ATOM 0 HD11 LEU A 74 1.129 -4.709 11.763 1.00 22.31 H new ATOM 0 HD12 LEU A 74 -0.193 -3.533 11.575 1.00 22.31 H new ATOM 0 HD13 LEU A 74 1.090 -3.246 12.775 1.00 22.31 H new ATOM 0 HD21 LEU A 74 1.225 -6.183 13.756 1.00 52.42 H new ATOM 0 HD22 LEU A 74 1.190 -4.787 14.860 1.00 52.42 H new ATOM 0 HD23 LEU A 74 -0.028 -6.075 15.015 1.00 52.42 H new ATOM 1259 N GLY A 75 -4.134 -2.937 15.110 1.00 33.42 N ATOM 1260 CA GLY A 75 -5.042 -1.940 15.673 1.00 4.35 C ATOM 1261 C GLY A 75 -4.592 -0.507 15.423 1.00 11.15 C ATOM 1262 O GLY A 75 -4.689 0.350 16.304 1.00 22.10 O ATOM 0 H GLY A 75 -4.387 -3.262 14.177 1.00 33.42 H new ATOM 0 HA2 GLY A 75 -6.035 -2.081 15.247 1.00 4.35 H new ATOM 0 HA3 GLY A 75 -5.130 -2.104 16.747 1.00 4.35 H new ATOM 1266 N ALA A 76 -4.100 -0.243 14.218 1.00 11.10 N ATOM 1267 CA ALA A 76 -3.636 1.096 13.843 1.00 13.31 C ATOM 1268 C ALA A 76 -4.095 1.472 12.429 1.00 62.22 C ATOM 1269 O ALA A 76 -3.728 0.813 11.456 1.00 64.40 O ATOM 1270 CB ALA A 76 -2.114 1.168 13.942 1.00 44.35 C ATOM 0 H ALA A 76 -4.010 -0.939 13.478 1.00 11.10 H new ATOM 0 HA ALA A 76 -4.075 1.813 14.537 1.00 13.31 H new ATOM 0 HB1 ALA A 76 -1.778 2.166 13.662 1.00 44.35 H new ATOM 0 HB2 ALA A 76 -1.806 0.955 14.966 1.00 44.35 H new ATOM 0 HB3 ALA A 76 -1.671 0.434 13.270 1.00 44.35 H new ATOM 1276 N GLN A 77 -4.904 2.525 12.318 1.00 63.12 N ATOM 1277 CA GLN A 77 -5.360 3.006 11.010 1.00 72.12 C ATOM 1278 C GLN A 77 -4.210 3.659 10.227 1.00 32.20 C ATOM 1279 O GLN A 77 -3.779 4.774 10.524 1.00 64.41 O ATOM 1280 CB GLN A 77 -6.541 3.983 11.161 1.00 42.10 C ATOM 1281 CG GLN A 77 -6.289 5.139 12.127 1.00 34.15 C ATOM 1282 CD GLN A 77 -7.456 6.111 12.198 1.00 42.01 C ATOM 1283 OE1 GLN A 77 -8.606 5.741 11.980 1.00 73.11 O ATOM 1284 NE2 GLN A 77 -7.179 7.355 12.528 1.00 1.20 N ATOM 0 H GLN A 77 -5.257 3.060 13.112 1.00 63.12 H new ATOM 0 HA GLN A 77 -5.706 2.142 10.442 1.00 72.12 H new ATOM 0 HB2 GLN A 77 -6.785 4.392 10.181 1.00 42.10 H new ATOM 0 HB3 GLN A 77 -7.415 3.427 11.500 1.00 42.10 H new ATOM 0 HG2 GLN A 77 -6.094 4.739 13.122 1.00 34.15 H new ATOM 0 HG3 GLN A 77 -5.392 5.676 11.818 1.00 34.15 H new ATOM 0 HE21 GLN A 77 -6.213 7.633 12.703 1.00 1.20 H new ATOM 0 HE22 GLN A 77 -7.930 8.041 12.608 1.00 1.20 H new ATOM 1293 N VAL A 78 -3.705 2.939 9.232 1.00 41.14 N ATOM 1294 CA VAL A 78 -2.612 3.426 8.387 1.00 51.24 C ATOM 1295 C VAL A 78 -3.145 3.981 7.059 1.00 55.12 C ATOM 1296 O VAL A 78 -4.292 3.726 6.686 1.00 12.53 O ATOM 1297 CB VAL A 78 -1.590 2.297 8.096 1.00 62.52 C ATOM 1298 CG1 VAL A 78 -0.969 1.785 9.395 1.00 44.23 C ATOM 1299 CG2 VAL A 78 -2.248 1.155 7.323 1.00 53.10 C ATOM 0 H VAL A 78 -4.037 2.006 8.986 1.00 41.14 H new ATOM 0 HA VAL A 78 -2.114 4.227 8.933 1.00 51.24 H new ATOM 0 HB VAL A 78 -0.794 2.710 7.476 1.00 62.52 H new ATOM 0 HG11 VAL A 78 -0.255 0.993 9.169 1.00 44.23 H new ATOM 0 HG12 VAL A 78 -0.456 2.603 9.900 1.00 44.23 H new ATOM 0 HG13 VAL A 78 -1.753 1.393 10.043 1.00 44.23 H new ATOM 0 HG21 VAL A 78 -1.512 0.375 7.130 1.00 53.10 H new ATOM 0 HG22 VAL A 78 -3.068 0.743 7.911 1.00 53.10 H new ATOM 0 HG23 VAL A 78 -2.634 1.532 6.376 1.00 53.10 H new ATOM 1309 N LEU A 79 -2.313 4.735 6.342 1.00 2.25 N ATOM 1310 CA LEU A 79 -2.700 5.266 5.029 1.00 35.53 C ATOM 1311 C LEU A 79 -2.517 4.202 3.943 1.00 32.22 C ATOM 1312 O LEU A 79 -1.394 3.834 3.591 1.00 70.14 O ATOM 1313 CB LEU A 79 -1.887 6.525 4.671 1.00 40.33 C ATOM 1314 CG LEU A 79 -2.262 7.806 5.437 1.00 4.01 C ATOM 1315 CD1 LEU A 79 -3.748 8.122 5.275 1.00 0.53 C ATOM 1316 CD2 LEU A 79 -1.877 7.700 6.913 1.00 34.04 C ATOM 0 H LEU A 79 -1.373 4.992 6.642 1.00 2.25 H new ATOM 0 HA LEU A 79 -3.753 5.543 5.084 1.00 35.53 H new ATOM 0 HB2 LEU A 79 -0.832 6.315 4.847 1.00 40.33 H new ATOM 0 HB3 LEU A 79 -2.000 6.716 3.604 1.00 40.33 H new ATOM 0 HG LEU A 79 -1.695 8.632 5.007 1.00 4.01 H new ATOM 0 HD11 LEU A 79 -3.989 9.032 5.825 1.00 0.53 H new ATOM 0 HD12 LEU A 79 -3.976 8.266 4.219 1.00 0.53 H new ATOM 0 HD13 LEU A 79 -4.341 7.294 5.665 1.00 0.53 H new ATOM 0 HD21 LEU A 79 -2.154 8.620 7.428 1.00 34.04 H new ATOM 0 HD22 LEU A 79 -2.401 6.858 7.366 1.00 34.04 H new ATOM 0 HD23 LEU A 79 -0.801 7.546 6.998 1.00 34.04 H new ATOM 1328 N ILE A 80 -3.633 3.708 3.426 1.00 61.32 N ATOM 1329 CA ILE A 80 -3.626 2.636 2.429 1.00 71.25 C ATOM 1330 C ILE A 80 -3.930 3.173 1.024 1.00 13.23 C ATOM 1331 O ILE A 80 -5.037 3.634 0.750 1.00 64.15 O ATOM 1332 CB ILE A 80 -4.659 1.541 2.794 1.00 45.12 C ATOM 1333 CG1 ILE A 80 -4.368 0.988 4.201 1.00 70.25 C ATOM 1334 CG2 ILE A 80 -4.643 0.414 1.756 1.00 33.33 C ATOM 1335 CD1 ILE A 80 -5.408 0.012 4.709 1.00 51.15 C ATOM 0 H ILE A 80 -4.565 4.033 3.681 1.00 61.32 H new ATOM 0 HA ILE A 80 -2.625 2.204 2.428 1.00 71.25 H new ATOM 0 HB ILE A 80 -5.654 1.986 2.793 1.00 45.12 H new ATOM 0 HG12 ILE A 80 -3.396 0.495 4.192 1.00 70.25 H new ATOM 0 HG13 ILE A 80 -4.296 1.822 4.900 1.00 70.25 H new ATOM 0 HG21 ILE A 80 -5.376 -0.345 2.031 1.00 33.33 H new ATOM 0 HG22 ILE A 80 -4.891 0.819 0.775 1.00 33.33 H new ATOM 0 HG23 ILE A 80 -3.651 -0.036 1.722 1.00 33.33 H new ATOM 0 HD11 ILE A 80 -5.129 -0.331 5.706 1.00 51.15 H new ATOM 0 HD12 ILE A 80 -6.379 0.505 4.753 1.00 51.15 H new ATOM 0 HD13 ILE A 80 -5.465 -0.842 4.035 1.00 51.15 H new ATOM 1347 N ILE A 81 -2.939 3.123 0.139 1.00 30.52 N ATOM 1348 CA ILE A 81 -3.130 3.535 -1.257 1.00 41.12 C ATOM 1349 C ILE A 81 -3.208 2.311 -2.179 1.00 32.41 C ATOM 1350 O ILE A 81 -2.261 1.532 -2.273 1.00 75.21 O ATOM 1351 CB ILE A 81 -1.996 4.474 -1.743 1.00 20.11 C ATOM 1352 CG1 ILE A 81 -1.928 5.735 -0.861 1.00 64.31 C ATOM 1353 CG2 ILE A 81 -2.203 4.853 -3.212 1.00 2.51 C ATOM 1354 CD1 ILE A 81 -0.884 6.740 -1.305 1.00 32.44 C ATOM 0 H ILE A 81 -1.996 2.803 0.358 1.00 30.52 H new ATOM 0 HA ILE A 81 -4.071 4.084 -1.299 1.00 41.12 H new ATOM 0 HB ILE A 81 -1.048 3.943 -1.658 1.00 20.11 H new ATOM 0 HG12 ILE A 81 -2.905 6.218 -0.859 1.00 64.31 H new ATOM 0 HG13 ILE A 81 -1.717 5.437 0.166 1.00 64.31 H new ATOM 0 HG21 ILE A 81 -1.397 5.512 -3.535 1.00 2.51 H new ATOM 0 HG22 ILE A 81 -2.201 3.951 -3.824 1.00 2.51 H new ATOM 0 HG23 ILE A 81 -3.158 5.366 -3.324 1.00 2.51 H new ATOM 0 HD11 ILE A 81 -0.898 7.599 -0.634 1.00 32.44 H new ATOM 0 HD12 ILE A 81 0.102 6.276 -1.280 1.00 32.44 H new ATOM 0 HD13 ILE A 81 -1.104 7.069 -2.321 1.00 32.44 H new ATOM 1366 N ILE A 82 -4.341 2.147 -2.855 1.00 51.14 N ATOM 1367 CA ILE A 82 -4.563 0.992 -3.733 1.00 71.44 C ATOM 1368 C ILE A 82 -4.417 1.366 -5.216 1.00 31.25 C ATOM 1369 O ILE A 82 -4.935 2.391 -5.664 1.00 41.30 O ATOM 1370 CB ILE A 82 -5.973 0.383 -3.515 1.00 44.20 C ATOM 1371 CG1 ILE A 82 -6.172 -0.030 -2.047 1.00 21.22 C ATOM 1372 CG2 ILE A 82 -6.189 -0.816 -4.438 1.00 1.31 C ATOM 1373 CD1 ILE A 82 -7.553 -0.577 -1.755 1.00 52.15 C ATOM 0 H ILE A 82 -5.125 2.799 -2.814 1.00 51.14 H new ATOM 0 HA ILE A 82 -3.800 0.258 -3.472 1.00 71.44 H new ATOM 0 HB ILE A 82 -6.711 1.147 -3.758 1.00 44.20 H new ATOM 0 HG12 ILE A 82 -5.429 -0.783 -1.786 1.00 21.22 H new ATOM 0 HG13 ILE A 82 -5.989 0.833 -1.407 1.00 21.22 H new ATOM 0 HG21 ILE A 82 -7.183 -1.230 -4.270 1.00 1.31 H new ATOM 0 HG22 ILE A 82 -6.099 -0.497 -5.476 1.00 1.31 H new ATOM 0 HG23 ILE A 82 -5.439 -1.578 -4.226 1.00 1.31 H new ATOM 0 HD11 ILE A 82 -7.622 -0.848 -0.701 1.00 52.15 H new ATOM 0 HD12 ILE A 82 -8.301 0.182 -1.984 1.00 52.15 H new ATOM 0 HD13 ILE A 82 -7.732 -1.460 -2.369 1.00 52.15 H new ATOM 1385 N TYR A 83 -3.715 0.525 -5.969 1.00 71.14 N ATOM 1386 CA TYR A 83 -3.577 0.698 -7.419 1.00 44.14 C ATOM 1387 C TYR A 83 -4.052 -0.552 -8.173 1.00 4.14 C ATOM 1388 O TYR A 83 -3.696 -1.679 -7.822 1.00 14.12 O ATOM 1389 CB TYR A 83 -2.120 1.001 -7.790 1.00 52.21 C ATOM 1390 CG TYR A 83 -1.888 1.126 -9.289 1.00 61.11 C ATOM 1391 CD1 TYR A 83 -2.161 2.315 -9.959 1.00 51.21 C ATOM 1392 CD2 TYR A 83 -1.397 0.053 -10.033 1.00 3.13 C ATOM 1393 CE1 TYR A 83 -1.954 2.429 -11.321 1.00 44.02 C ATOM 1394 CE2 TYR A 83 -1.188 0.164 -11.393 1.00 34.03 C ATOM 1395 CZ TYR A 83 -1.466 1.354 -12.032 1.00 73.31 C ATOM 1396 OH TYR A 83 -1.261 1.463 -13.390 1.00 34.31 O ATOM 0 H TYR A 83 -3.227 -0.291 -5.599 1.00 71.14 H new ATOM 0 HA TYR A 83 -4.204 1.540 -7.712 1.00 44.14 H new ATOM 0 HB2 TYR A 83 -1.815 1.928 -7.305 1.00 52.21 H new ATOM 0 HB3 TYR A 83 -1.481 0.210 -7.396 1.00 52.21 H new ATOM 0 HD1 TYR A 83 -2.540 3.162 -9.406 1.00 51.21 H new ATOM 0 HD2 TYR A 83 -1.177 -0.880 -9.537 1.00 3.13 H new ATOM 0 HE1 TYR A 83 -2.174 3.358 -11.826 1.00 44.02 H new ATOM 0 HE2 TYR A 83 -0.809 -0.677 -11.954 1.00 34.03 H new ATOM 0 HH TYR A 83 -0.913 0.615 -13.737 1.00 34.31 H new ATOM 1406 N ASP A 84 -4.839 -0.330 -9.220 1.00 53.52 N ATOM 1407 CA ASP A 84 -5.357 -1.410 -10.066 1.00 1.25 C ATOM 1408 C ASP A 84 -5.373 -0.990 -11.542 1.00 53.25 C ATOM 1409 O ASP A 84 -5.260 0.193 -11.873 1.00 64.30 O ATOM 1410 CB ASP A 84 -6.761 -1.829 -9.601 1.00 15.42 C ATOM 1411 CG ASP A 84 -7.399 -2.866 -10.513 1.00 23.30 C ATOM 1412 OD1 ASP A 84 -6.818 -3.962 -10.671 1.00 72.33 O ATOM 1413 OD2 ASP A 84 -8.466 -2.580 -11.095 1.00 34.21 O ATOM 0 H ASP A 84 -5.138 0.601 -9.510 1.00 53.52 H new ATOM 0 HA ASP A 84 -4.693 -2.269 -9.970 1.00 1.25 H new ATOM 0 HB2 ASP A 84 -6.699 -2.230 -8.590 1.00 15.42 H new ATOM 0 HB3 ASP A 84 -7.402 -0.948 -9.556 1.00 15.42 H new ATOM 1418 N GLN A 85 -5.507 -1.979 -12.416 1.00 54.50 N ATOM 1419 CA GLN A 85 -5.472 -1.779 -13.861 1.00 10.45 C ATOM 1420 C GLN A 85 -6.668 -0.956 -14.358 1.00 62.20 C ATOM 1421 O GLN A 85 -6.627 -0.385 -15.452 1.00 52.33 O ATOM 1422 CB GLN A 85 -5.479 -3.147 -14.539 1.00 3.22 C ATOM 1423 CG GLN A 85 -4.276 -4.014 -14.196 1.00 11.31 C ATOM 1424 CD GLN A 85 -4.394 -5.415 -14.766 1.00 73.15 C ATOM 1425 OE1 GLN A 85 -3.945 -5.687 -15.874 1.00 43.20 O ATOM 1426 NE2 GLN A 85 -5.019 -6.306 -14.022 1.00 22.30 N ATOM 0 H GLN A 85 -5.644 -2.951 -12.141 1.00 54.50 H new ATOM 0 HA GLN A 85 -4.568 -1.223 -14.110 1.00 10.45 H new ATOM 0 HB2 GLN A 85 -6.388 -3.677 -14.256 1.00 3.22 H new ATOM 0 HB3 GLN A 85 -5.516 -3.006 -15.619 1.00 3.22 H new ATOM 0 HG2 GLN A 85 -3.371 -3.543 -14.579 1.00 11.31 H new ATOM 0 HG3 GLN A 85 -4.170 -4.073 -13.113 1.00 11.31 H new ATOM 0 HE21 GLN A 85 -5.379 -6.042 -13.105 1.00 22.30 H new ATOM 0 HE22 GLN A 85 -5.143 -7.259 -14.364 1.00 22.30 H new ATOM 1435 N ASP A 86 -7.736 -0.919 -13.565 1.00 30.22 N ATOM 1436 CA ASP A 86 -8.950 -0.198 -13.943 1.00 33.52 C ATOM 1437 C ASP A 86 -9.715 0.322 -12.713 1.00 25.55 C ATOM 1438 O ASP A 86 -9.151 0.459 -11.632 1.00 22.23 O ATOM 1439 CB ASP A 86 -9.834 -1.105 -14.799 1.00 12.44 C ATOM 1440 CG ASP A 86 -10.222 -2.391 -14.095 1.00 11.41 C ATOM 1441 OD1 ASP A 86 -11.268 -2.414 -13.420 1.00 52.32 O ATOM 1442 OD2 ASP A 86 -9.497 -3.391 -14.249 1.00 51.12 O ATOM 0 H ASP A 86 -7.786 -1.380 -12.656 1.00 30.22 H new ATOM 0 HA ASP A 86 -8.664 0.678 -14.525 1.00 33.52 H new ATOM 0 HB2 ASP A 86 -10.738 -0.563 -15.078 1.00 12.44 H new ATOM 0 HB3 ASP A 86 -9.309 -1.347 -15.723 1.00 12.44 H new ATOM 1447 N GLN A 87 -10.992 0.665 -12.897 1.00 64.33 N ATOM 1448 CA GLN A 87 -11.801 1.227 -11.808 1.00 12.50 C ATOM 1449 C GLN A 87 -12.724 0.178 -11.158 1.00 3.30 C ATOM 1450 O GLN A 87 -13.200 0.376 -10.041 1.00 72.04 O ATOM 1451 CB GLN A 87 -12.634 2.419 -12.315 1.00 32.34 C ATOM 1452 CG GLN A 87 -11.816 3.672 -12.650 1.00 41.24 C ATOM 1453 CD GLN A 87 -10.935 3.517 -13.884 1.00 54.31 C ATOM 1454 OE1 GLN A 87 -9.708 3.081 -13.698 1.00 23.23 O flip ATOM 1455 NE2 GLN A 87 -11.353 3.796 -15.000 1.00 63.03 N flip ATOM 0 H GLN A 87 -11.487 0.565 -13.783 1.00 64.33 H new ATOM 0 HA GLN A 87 -11.106 1.569 -11.041 1.00 12.50 H new ATOM 0 HB2 GLN A 87 -13.182 2.110 -13.205 1.00 32.34 H new ATOM 0 HB3 GLN A 87 -13.375 2.676 -11.558 1.00 32.34 H new ATOM 0 HG2 GLN A 87 -12.497 4.509 -12.803 1.00 41.24 H new ATOM 0 HG3 GLN A 87 -11.188 3.924 -11.796 1.00 41.24 H new ATOM 0 HE21 GLN A 87 -12.309 4.132 -15.117 1.00 63.03 H new ATOM 0 HE22 GLN A 87 -10.746 3.692 -15.813 1.00 63.03 H new ATOM 1464 N ASN A 88 -12.966 -0.937 -11.847 1.00 1.45 N ATOM 1465 CA ASN A 88 -13.877 -1.975 -11.338 1.00 40.11 C ATOM 1466 C ASN A 88 -13.244 -2.752 -10.174 1.00 10.43 C ATOM 1467 O ASN A 88 -13.777 -2.776 -9.061 1.00 25.44 O ATOM 1468 CB ASN A 88 -14.257 -2.956 -12.454 1.00 72.14 C ATOM 1469 CG ASN A 88 -14.764 -2.252 -13.695 1.00 61.05 C ATOM 1470 OD1 ASN A 88 -15.946 -1.950 -13.818 1.00 12.52 O ATOM 1471 ND2 ASN A 88 -13.876 -1.995 -14.632 1.00 24.22 N ATOM 0 H ASN A 88 -12.549 -1.149 -12.754 1.00 1.45 H new ATOM 0 HA ASN A 88 -14.773 -1.471 -10.977 1.00 40.11 H new ATOM 0 HB2 ASN A 88 -13.388 -3.562 -12.713 1.00 72.14 H new ATOM 0 HB3 ASN A 88 -15.024 -3.639 -12.088 1.00 72.14 H new ATOM 0 HD21 ASN A 88 -14.163 -1.531 -15.493 1.00 24.22 H new ATOM 0 HD22 ASN A 88 -12.900 -2.260 -14.497 1.00 24.22 H new ATOM 1478 N ARG A 89 -12.102 -3.381 -10.440 1.00 3.10 N ATOM 1479 CA ARG A 89 -11.399 -4.175 -9.428 1.00 71.01 C ATOM 1480 C ARG A 89 -10.790 -3.271 -8.342 1.00 44.11 C ATOM 1481 O ARG A 89 -10.714 -3.650 -7.168 1.00 22.45 O ATOM 1482 CB ARG A 89 -10.326 -5.041 -10.106 1.00 23.40 C ATOM 1483 CG ARG A 89 -10.917 -6.121 -11.014 1.00 20.35 C ATOM 1484 CD ARG A 89 -9.853 -6.847 -11.837 1.00 71.32 C ATOM 1485 NE ARG A 89 -9.376 -6.039 -12.962 1.00 22.31 N ATOM 1486 CZ ARG A 89 -9.119 -6.516 -14.153 1.00 4.13 C ATOM 1487 NH1 ARG A 89 -9.313 -7.769 -14.420 1.00 53.22 N ATOM 1488 NH2 ARG A 89 -8.694 -5.727 -15.084 1.00 5.34 N ATOM 0 H ARG A 89 -11.640 -3.358 -11.349 1.00 3.10 H new ATOM 0 HA ARG A 89 -12.114 -4.833 -8.933 1.00 71.01 H new ATOM 0 HB2 ARG A 89 -9.667 -4.401 -10.693 1.00 23.40 H new ATOM 0 HB3 ARG A 89 -9.711 -5.514 -9.340 1.00 23.40 H new ATOM 0 HG2 ARG A 89 -11.457 -6.846 -10.405 1.00 20.35 H new ATOM 0 HG3 ARG A 89 -11.644 -5.666 -11.687 1.00 20.35 H new ATOM 0 HD2 ARG A 89 -9.011 -7.104 -11.194 1.00 71.32 H new ATOM 0 HD3 ARG A 89 -10.264 -7.784 -12.213 1.00 71.32 H new ATOM 0 HE ARG A 89 -9.235 -5.041 -12.807 1.00 22.31 H new ATOM 0 HH11 ARG A 89 -9.670 -8.395 -13.698 1.00 53.22 H new ATOM 0 HH12 ARG A 89 -9.109 -8.129 -15.352 1.00 53.22 H new ATOM 0 HH21 ARG A 89 -8.560 -4.735 -14.890 1.00 5.34 H new ATOM 0 HH22 ARG A 89 -8.493 -6.096 -16.013 1.00 5.34 H new ATOM 1502 N LEU A 90 -10.375 -2.071 -8.747 1.00 42.02 N ATOM 1503 CA LEU A 90 -9.883 -1.044 -7.818 1.00 61.54 C ATOM 1504 C LEU A 90 -10.903 -0.732 -6.707 1.00 55.13 C ATOM 1505 O LEU A 90 -10.637 -0.950 -5.519 1.00 74.13 O ATOM 1506 CB LEU A 90 -9.567 0.242 -8.596 1.00 4.25 C ATOM 1507 CG LEU A 90 -8.970 1.394 -7.770 1.00 63.23 C ATOM 1508 CD1 LEU A 90 -7.640 0.982 -7.146 1.00 55.10 C ATOM 1509 CD2 LEU A 90 -8.801 2.642 -8.634 1.00 5.15 C ATOM 0 H LEU A 90 -10.369 -1.780 -9.725 1.00 42.02 H new ATOM 0 HA LEU A 90 -8.982 -1.432 -7.343 1.00 61.54 H new ATOM 0 HB2 LEU A 90 -8.871 -0.003 -9.399 1.00 4.25 H new ATOM 0 HB3 LEU A 90 -10.485 0.595 -9.066 1.00 4.25 H new ATOM 0 HG LEU A 90 -9.662 1.629 -6.962 1.00 63.23 H new ATOM 0 HD11 LEU A 90 -7.237 1.813 -6.567 1.00 55.10 H new ATOM 0 HD12 LEU A 90 -7.795 0.125 -6.491 1.00 55.10 H new ATOM 0 HD13 LEU A 90 -6.936 0.714 -7.934 1.00 55.10 H new ATOM 0 HD21 LEU A 90 -8.377 3.446 -8.033 1.00 5.15 H new ATOM 0 HD22 LEU A 90 -8.133 2.421 -9.466 1.00 5.15 H new ATOM 0 HD23 LEU A 90 -9.772 2.951 -9.021 1.00 5.15 H new ATOM 1521 N GLU A 91 -12.072 -0.227 -7.101 1.00 54.32 N ATOM 1522 CA GLU A 91 -13.087 0.216 -6.137 1.00 65.42 C ATOM 1523 C GLU A 91 -13.724 -0.955 -5.369 1.00 64.34 C ATOM 1524 O GLU A 91 -14.294 -0.760 -4.294 1.00 24.44 O ATOM 1525 CB GLU A 91 -14.173 1.040 -6.842 1.00 4.13 C ATOM 1526 CG GLU A 91 -13.659 2.340 -7.463 1.00 70.04 C ATOM 1527 CD GLU A 91 -12.947 3.239 -6.458 1.00 12.52 C ATOM 1528 OE1 GLU A 91 -13.527 3.517 -5.384 1.00 64.21 O ATOM 1529 OE2 GLU A 91 -11.809 3.670 -6.738 1.00 23.23 O ATOM 0 H GLU A 91 -12.342 -0.113 -8.078 1.00 54.32 H new ATOM 0 HA GLU A 91 -12.576 0.841 -5.405 1.00 65.42 H new ATOM 0 HB2 GLU A 91 -14.628 0.431 -7.623 1.00 4.13 H new ATOM 0 HB3 GLU A 91 -14.959 1.277 -6.125 1.00 4.13 H new ATOM 0 HG2 GLU A 91 -12.975 2.102 -8.277 1.00 70.04 H new ATOM 0 HG3 GLU A 91 -14.497 2.884 -7.899 1.00 70.04 H new ATOM 1536 N GLU A 92 -13.635 -2.166 -5.914 1.00 4.25 N ATOM 1537 CA GLU A 92 -14.166 -3.349 -5.226 1.00 61.11 C ATOM 1538 C GLU A 92 -13.487 -3.548 -3.861 1.00 75.24 C ATOM 1539 O GLU A 92 -14.155 -3.725 -2.837 1.00 51.52 O ATOM 1540 CB GLU A 92 -13.978 -4.611 -6.079 1.00 2.34 C ATOM 1541 CG GLU A 92 -14.558 -5.867 -5.432 1.00 3.43 C ATOM 1542 CD GLU A 92 -14.282 -7.137 -6.224 1.00 5.01 C ATOM 1543 OE1 GLU A 92 -14.917 -7.330 -7.283 1.00 30.32 O ATOM 1544 OE2 GLU A 92 -13.448 -7.957 -5.776 1.00 71.00 O ATOM 0 H GLU A 92 -13.206 -2.357 -6.819 1.00 4.25 H new ATOM 0 HA GLU A 92 -15.231 -3.181 -5.069 1.00 61.11 H new ATOM 0 HB2 GLU A 92 -14.450 -4.459 -7.050 1.00 2.34 H new ATOM 0 HB3 GLU A 92 -12.914 -4.763 -6.262 1.00 2.34 H new ATOM 0 HG2 GLU A 92 -14.143 -5.975 -4.430 1.00 3.43 H new ATOM 0 HG3 GLU A 92 -15.635 -5.745 -5.320 1.00 3.43 H new ATOM 1551 N PHE A 93 -12.154 -3.508 -3.849 1.00 42.40 N ATOM 1552 CA PHE A 93 -11.391 -3.736 -2.618 1.00 31.13 C ATOM 1553 C PHE A 93 -11.343 -2.476 -1.728 1.00 54.23 C ATOM 1554 O PHE A 93 -11.226 -2.583 -0.505 1.00 62.51 O ATOM 1555 CB PHE A 93 -9.969 -4.220 -2.941 1.00 2.21 C ATOM 1556 CG PHE A 93 -9.212 -4.679 -1.721 1.00 40.14 C ATOM 1557 CD1 PHE A 93 -9.656 -5.771 -0.987 1.00 1.02 C ATOM 1558 CD2 PHE A 93 -8.067 -4.019 -1.301 1.00 1.44 C ATOM 1559 CE1 PHE A 93 -8.976 -6.192 0.138 1.00 15.32 C ATOM 1560 CE2 PHE A 93 -7.382 -4.438 -0.177 1.00 31.22 C ATOM 1561 CZ PHE A 93 -7.838 -5.525 0.544 1.00 53.41 C ATOM 0 H PHE A 93 -11.582 -3.321 -4.672 1.00 42.40 H new ATOM 0 HA PHE A 93 -11.908 -4.515 -2.057 1.00 31.13 H new ATOM 0 HB2 PHE A 93 -10.024 -5.040 -3.657 1.00 2.21 H new ATOM 0 HB3 PHE A 93 -9.417 -3.413 -3.422 1.00 2.21 H new ATOM 0 HD1 PHE A 93 -10.545 -6.298 -1.301 1.00 1.02 H new ATOM 0 HD2 PHE A 93 -7.707 -3.168 -1.859 1.00 1.44 H new ATOM 0 HE1 PHE A 93 -9.334 -7.042 0.700 1.00 15.32 H new ATOM 0 HE2 PHE A 93 -6.490 -3.916 0.138 1.00 31.22 H new ATOM 0 HZ PHE A 93 -7.305 -5.852 1.424 1.00 53.41 H new ATOM 1571 N SER A 94 -11.445 -1.288 -2.335 1.00 40.50 N ATOM 1572 CA SER A 94 -11.459 -0.028 -1.564 1.00 64.34 C ATOM 1573 C SER A 94 -12.609 -0.032 -0.548 1.00 74.44 C ATOM 1574 O SER A 94 -12.448 0.389 0.602 1.00 12.42 O ATOM 1575 CB SER A 94 -11.601 1.189 -2.490 1.00 63.21 C ATOM 1576 OG SER A 94 -12.896 1.254 -3.068 1.00 31.30 O ATOM 0 H SER A 94 -11.519 -1.167 -3.345 1.00 40.50 H new ATOM 0 HA SER A 94 -10.508 0.044 -1.036 1.00 64.34 H new ATOM 0 HB2 SER A 94 -11.407 2.101 -1.926 1.00 63.21 H new ATOM 0 HB3 SER A 94 -10.851 1.136 -3.279 1.00 63.21 H new ATOM 0 HG SER A 94 -13.188 0.353 -3.318 1.00 31.30 H new ATOM 1582 N ARG A 95 -13.769 -0.519 -0.990 1.00 34.33 N ATOM 1583 CA ARG A 95 -14.929 -0.709 -0.114 1.00 65.10 C ATOM 1584 C ARG A 95 -14.579 -1.606 1.084 1.00 52.35 C ATOM 1585 O ARG A 95 -14.861 -1.267 2.232 1.00 34.43 O ATOM 1586 CB ARG A 95 -16.083 -1.323 -0.893 1.00 51.21 C ATOM 1587 CG ARG A 95 -16.555 -0.436 -2.027 1.00 34.15 C ATOM 1588 CD ARG A 95 -17.867 -0.918 -2.599 1.00 52.44 C ATOM 1589 NE ARG A 95 -17.784 -2.292 -3.096 1.00 12.40 N ATOM 1590 CZ ARG A 95 -18.634 -2.836 -3.924 1.00 75.12 C ATOM 1591 NH1 ARG A 95 -19.611 -2.147 -4.421 1.00 21.32 N ATOM 1592 NH2 ARG A 95 -18.497 -4.078 -4.254 1.00 53.12 N ATOM 0 H ARG A 95 -13.932 -0.792 -1.959 1.00 34.33 H new ATOM 0 HA ARG A 95 -15.226 0.270 0.263 1.00 65.10 H new ATOM 0 HB2 ARG A 95 -15.773 -2.287 -1.295 1.00 51.21 H new ATOM 0 HB3 ARG A 95 -16.915 -1.513 -0.215 1.00 51.21 H new ATOM 0 HG2 ARG A 95 -16.668 0.587 -1.667 1.00 34.15 H new ATOM 0 HG3 ARG A 95 -15.800 -0.416 -2.813 1.00 34.15 H new ATOM 0 HD2 ARG A 95 -18.639 -0.857 -1.832 1.00 52.44 H new ATOM 0 HD3 ARG A 95 -18.171 -0.258 -3.411 1.00 52.44 H new ATOM 0 HE ARG A 95 -17.006 -2.866 -2.772 1.00 12.40 H new ATOM 0 HH11 ARG A 95 -19.724 -1.166 -4.167 1.00 21.32 H new ATOM 0 HH12 ARG A 95 -20.267 -2.585 -5.067 1.00 21.32 H new ATOM 0 HH21 ARG A 95 -17.729 -4.626 -3.868 1.00 53.12 H new ATOM 0 HH22 ARG A 95 -19.157 -4.510 -4.900 1.00 53.12 H new ATOM 1606 N GLU A 96 -13.942 -2.742 0.793 1.00 21.12 N ATOM 1607 CA GLU A 96 -13.557 -3.718 1.821 1.00 14.24 C ATOM 1608 C GLU A 96 -12.677 -3.075 2.902 1.00 15.45 C ATOM 1609 O GLU A 96 -12.918 -3.242 4.097 1.00 71.43 O ATOM 1610 CB GLU A 96 -12.813 -4.894 1.171 1.00 60.31 C ATOM 1611 CG GLU A 96 -13.596 -5.583 0.057 1.00 22.33 C ATOM 1612 CD GLU A 96 -14.878 -6.236 0.552 1.00 5.00 C ATOM 1613 OE1 GLU A 96 -15.918 -5.553 0.624 1.00 64.24 O ATOM 1614 OE2 GLU A 96 -14.850 -7.444 0.870 1.00 2.43 O ATOM 0 H GLU A 96 -13.679 -3.013 -0.155 1.00 21.12 H new ATOM 0 HA GLU A 96 -14.466 -4.081 2.300 1.00 14.24 H new ATOM 0 HB2 GLU A 96 -11.867 -4.534 0.767 1.00 60.31 H new ATOM 0 HB3 GLU A 96 -12.572 -5.628 1.940 1.00 60.31 H new ATOM 0 HG2 GLU A 96 -13.840 -4.852 -0.714 1.00 22.33 H new ATOM 0 HG3 GLU A 96 -12.965 -6.340 -0.409 1.00 22.33 H new ATOM 1621 N VAL A 97 -11.661 -2.333 2.468 1.00 61.33 N ATOM 1622 CA VAL A 97 -10.766 -1.626 3.392 1.00 33.34 C ATOM 1623 C VAL A 97 -11.549 -0.678 4.319 1.00 11.20 C ATOM 1624 O VAL A 97 -11.332 -0.654 5.533 1.00 44.44 O ATOM 1625 CB VAL A 97 -9.693 -0.818 2.619 1.00 70.40 C ATOM 1626 CG1 VAL A 97 -8.758 -0.093 3.583 1.00 30.53 C ATOM 1627 CG2 VAL A 97 -8.903 -1.726 1.681 1.00 32.42 C ATOM 0 H VAL A 97 -11.434 -2.203 1.482 1.00 61.33 H new ATOM 0 HA VAL A 97 -10.273 -2.384 4.001 1.00 33.34 H new ATOM 0 HB VAL A 97 -10.205 -0.068 2.016 1.00 70.40 H new ATOM 0 HG11 VAL A 97 -8.014 0.467 3.016 1.00 30.53 H new ATOM 0 HG12 VAL A 97 -9.335 0.594 4.202 1.00 30.53 H new ATOM 0 HG13 VAL A 97 -8.256 -0.821 4.220 1.00 30.53 H new ATOM 0 HG21 VAL A 97 -8.156 -1.137 1.149 1.00 32.42 H new ATOM 0 HG22 VAL A 97 -8.407 -2.504 2.261 1.00 32.42 H new ATOM 0 HG23 VAL A 97 -9.582 -2.186 0.963 1.00 32.42 H new ATOM 1637 N ARG A 98 -12.475 0.085 3.739 1.00 35.12 N ATOM 1638 CA ARG A 98 -13.310 1.015 4.511 1.00 63.14 C ATOM 1639 C ARG A 98 -14.289 0.265 5.433 1.00 42.42 C ATOM 1640 O ARG A 98 -14.706 0.785 6.470 1.00 5.12 O ATOM 1641 CB ARG A 98 -14.068 1.952 3.557 1.00 31.13 C ATOM 1642 CG ARG A 98 -13.142 2.868 2.761 1.00 40.24 C ATOM 1643 CD ARG A 98 -13.888 3.736 1.752 1.00 62.40 C ATOM 1644 NE ARG A 98 -12.967 4.595 1.002 1.00 31.14 N ATOM 1645 CZ ARG A 98 -13.128 4.940 -0.247 1.00 20.34 C ATOM 1646 NH1 ARG A 98 -14.172 4.556 -0.909 1.00 3.12 N ATOM 1647 NH2 ARG A 98 -12.243 5.679 -0.834 1.00 14.40 N ATOM 0 H ARG A 98 -12.669 0.080 2.738 1.00 35.12 H new ATOM 0 HA ARG A 98 -12.657 1.610 5.149 1.00 63.14 H new ATOM 0 HB2 ARG A 98 -14.662 1.355 2.865 1.00 31.13 H new ATOM 0 HB3 ARG A 98 -14.766 2.561 4.132 1.00 31.13 H new ATOM 0 HG2 ARG A 98 -12.594 3.511 3.451 1.00 40.24 H new ATOM 0 HG3 ARG A 98 -12.404 2.262 2.236 1.00 40.24 H new ATOM 0 HD2 ARG A 98 -14.440 3.100 1.060 1.00 62.40 H new ATOM 0 HD3 ARG A 98 -14.621 4.353 2.272 1.00 62.40 H new ATOM 0 HE ARG A 98 -12.143 4.948 1.490 1.00 31.14 H new ATOM 0 HH11 ARG A 98 -14.879 3.978 -0.455 1.00 3.12 H new ATOM 0 HH12 ARG A 98 -14.287 4.832 -1.884 1.00 3.12 H new ATOM 0 HH21 ARG A 98 -11.419 5.992 -0.321 1.00 14.40 H new ATOM 0 HH22 ARG A 98 -12.369 5.948 -1.810 1.00 14.40 H new ATOM 1661 N ARG A 99 -14.647 -0.962 5.056 1.00 44.12 N ATOM 1662 CA ARG A 99 -15.492 -1.820 5.898 1.00 64.51 C ATOM 1663 C ARG A 99 -14.762 -2.250 7.182 1.00 42.23 C ATOM 1664 O ARG A 99 -15.393 -2.517 8.204 1.00 75.12 O ATOM 1665 CB ARG A 99 -15.940 -3.067 5.119 1.00 14.33 C ATOM 1666 CG ARG A 99 -16.998 -2.794 4.053 1.00 51.43 C ATOM 1667 CD ARG A 99 -18.303 -2.294 4.666 1.00 23.32 C ATOM 1668 NE ARG A 99 -18.816 -3.213 5.686 1.00 44.43 N ATOM 1669 CZ ARG A 99 -20.023 -3.166 6.178 1.00 20.13 C ATOM 1670 NH1 ARG A 99 -20.884 -2.311 5.733 1.00 30.13 N ATOM 1671 NH2 ARG A 99 -20.372 -3.995 7.105 1.00 42.14 N ATOM 0 H ARG A 99 -14.367 -1.388 4.173 1.00 44.12 H new ATOM 0 HA ARG A 99 -16.367 -1.235 6.181 1.00 64.51 H new ATOM 0 HB2 ARG A 99 -15.069 -3.516 4.643 1.00 14.33 H new ATOM 0 HB3 ARG A 99 -16.332 -3.800 5.824 1.00 14.33 H new ATOM 0 HG2 ARG A 99 -16.621 -2.054 3.347 1.00 51.43 H new ATOM 0 HG3 ARG A 99 -17.188 -3.706 3.487 1.00 51.43 H new ATOM 0 HD2 ARG A 99 -18.142 -1.312 5.110 1.00 23.32 H new ATOM 0 HD3 ARG A 99 -19.049 -2.170 3.881 1.00 23.32 H new ATOM 0 HE ARG A 99 -18.188 -3.937 6.034 1.00 44.43 H new ATOM 0 HH11 ARG A 99 -20.622 -1.664 4.989 1.00 30.13 H new ATOM 0 HH12 ARG A 99 -21.825 -2.284 6.125 1.00 30.13 H new ATOM 0 HH21 ARG A 99 -19.704 -4.684 7.451 1.00 42.14 H new ATOM 0 HH22 ARG A 99 -21.315 -3.960 7.491 1.00 42.14 H new ATOM 1685 N ARG A 100 -13.430 -2.310 7.130 1.00 34.45 N ATOM 1686 CA ARG A 100 -12.629 -2.764 8.278 1.00 40.40 C ATOM 1687 C ARG A 100 -12.170 -1.589 9.156 1.00 60.54 C ATOM 1688 O ARG A 100 -11.340 -1.759 10.054 1.00 71.22 O ATOM 1689 CB ARG A 100 -11.403 -3.556 7.792 1.00 32.32 C ATOM 1690 CG ARG A 100 -11.698 -4.467 6.606 1.00 42.04 C ATOM 1691 CD ARG A 100 -10.595 -5.497 6.378 1.00 55.34 C ATOM 1692 NE ARG A 100 -10.651 -6.578 7.363 1.00 23.24 N ATOM 1693 CZ ARG A 100 -10.165 -7.774 7.165 1.00 12.41 C ATOM 1694 NH1 ARG A 100 -9.465 -8.033 6.110 1.00 5.30 N ATOM 1695 NH2 ARG A 100 -10.355 -8.700 8.041 1.00 14.44 N ATOM 0 H ARG A 100 -12.881 -2.052 6.310 1.00 34.45 H new ATOM 0 HA ARG A 100 -13.266 -3.409 8.884 1.00 40.40 H new ATOM 0 HB2 ARG A 100 -10.615 -2.856 7.515 1.00 32.32 H new ATOM 0 HB3 ARG A 100 -11.020 -4.158 8.616 1.00 32.32 H new ATOM 0 HG2 ARG A 100 -12.644 -4.982 6.773 1.00 42.04 H new ATOM 0 HG3 ARG A 100 -11.819 -3.862 5.707 1.00 42.04 H new ATOM 0 HD2 ARG A 100 -10.688 -5.914 5.375 1.00 55.34 H new ATOM 0 HD3 ARG A 100 -9.623 -5.007 6.431 1.00 55.34 H new ATOM 0 HE ARG A 100 -11.097 -6.385 8.260 1.00 23.24 H new ATOM 0 HH11 ARG A 100 -9.288 -7.300 5.423 1.00 5.30 H new ATOM 0 HH12 ARG A 100 -9.090 -8.970 5.964 1.00 5.30 H new ATOM 0 HH21 ARG A 100 -10.885 -8.499 8.889 1.00 14.44 H new ATOM 0 HH22 ARG A 100 -9.975 -9.634 7.886 1.00 14.44 H new ATOM 1709 N GLY A 101 -12.716 -0.402 8.899 1.00 51.23 N ATOM 1710 CA GLY A 101 -12.333 0.783 9.659 1.00 32.15 C ATOM 1711 C GLY A 101 -10.920 1.265 9.341 1.00 41.22 C ATOM 1712 O GLY A 101 -10.090 1.430 10.236 1.00 14.34 O ATOM 0 H GLY A 101 -13.418 -0.237 8.178 1.00 51.23 H new ATOM 0 HA2 GLY A 101 -13.040 1.586 9.450 1.00 32.15 H new ATOM 0 HA3 GLY A 101 -12.405 0.564 10.724 1.00 32.15 H new ATOM 1716 N PHE A 102 -10.643 1.465 8.055 1.00 21.10 N ATOM 1717 CA PHE A 102 -9.346 1.986 7.602 1.00 74.15 C ATOM 1718 C PHE A 102 -9.502 3.192 6.670 1.00 23.00 C ATOM 1719 O PHE A 102 -10.593 3.488 6.182 1.00 73.15 O ATOM 1720 CB PHE A 102 -8.540 0.890 6.890 1.00 12.43 C ATOM 1721 CG PHE A 102 -7.673 0.077 7.812 1.00 51.24 C ATOM 1722 CD1 PHE A 102 -6.457 0.583 8.248 1.00 5.21 C ATOM 1723 CD2 PHE A 102 -8.063 -1.184 8.239 1.00 13.04 C ATOM 1724 CE1 PHE A 102 -5.649 -0.152 9.093 1.00 35.13 C ATOM 1725 CE2 PHE A 102 -7.258 -1.922 9.084 1.00 14.55 C ATOM 1726 CZ PHE A 102 -6.049 -1.406 9.512 1.00 74.42 C ATOM 0 H PHE A 102 -11.301 1.274 7.300 1.00 21.10 H new ATOM 0 HA PHE A 102 -8.810 2.314 8.493 1.00 74.15 H new ATOM 0 HB2 PHE A 102 -9.230 0.223 6.373 1.00 12.43 H new ATOM 0 HB3 PHE A 102 -7.911 1.351 6.128 1.00 12.43 H new ATOM 0 HD1 PHE A 102 -6.139 1.563 7.923 1.00 5.21 H new ATOM 0 HD2 PHE A 102 -9.006 -1.593 7.907 1.00 13.04 H new ATOM 0 HE1 PHE A 102 -4.705 0.253 9.426 1.00 35.13 H new ATOM 0 HE2 PHE A 102 -7.573 -2.902 9.410 1.00 14.55 H new ATOM 0 HZ PHE A 102 -5.418 -1.982 10.173 1.00 74.42 H new ATOM 1736 N GLU A 103 -8.394 3.887 6.442 1.00 40.11 N ATOM 1737 CA GLU A 103 -8.356 5.035 5.535 1.00 32.24 C ATOM 1738 C GLU A 103 -7.686 4.644 4.206 1.00 33.42 C ATOM 1739 O GLU A 103 -6.485 4.365 4.167 1.00 73.01 O ATOM 1740 CB GLU A 103 -7.583 6.186 6.196 1.00 54.44 C ATOM 1741 CG GLU A 103 -7.550 7.468 5.373 1.00 62.05 C ATOM 1742 CD GLU A 103 -8.893 8.190 5.340 1.00 62.35 C ATOM 1743 OE1 GLU A 103 -9.753 7.831 4.505 1.00 44.43 O ATOM 1744 OE2 GLU A 103 -9.094 9.119 6.155 1.00 43.23 O ATOM 0 H GLU A 103 -7.497 3.674 6.878 1.00 40.11 H new ATOM 0 HA GLU A 103 -9.376 5.358 5.327 1.00 32.24 H new ATOM 0 HB2 GLU A 103 -8.032 6.401 7.166 1.00 54.44 H new ATOM 0 HB3 GLU A 103 -6.560 5.861 6.384 1.00 54.44 H new ATOM 0 HG2 GLU A 103 -6.794 8.137 5.784 1.00 62.05 H new ATOM 0 HG3 GLU A 103 -7.246 7.231 4.353 1.00 62.05 H new ATOM 1751 N VAL A 104 -8.457 4.618 3.119 1.00 44.31 N ATOM 1752 CA VAL A 104 -7.933 4.166 1.825 1.00 51.50 C ATOM 1753 C VAL A 104 -8.110 5.209 0.707 1.00 33.01 C ATOM 1754 O VAL A 104 -9.183 5.796 0.534 1.00 20.50 O ATOM 1755 CB VAL A 104 -8.587 2.828 1.389 1.00 43.43 C ATOM 1756 CG1 VAL A 104 -10.101 2.972 1.259 1.00 71.23 C ATOM 1757 CG2 VAL A 104 -7.976 2.325 0.084 1.00 74.34 C ATOM 0 H VAL A 104 -9.437 4.901 3.105 1.00 44.31 H new ATOM 0 HA VAL A 104 -6.864 4.018 1.975 1.00 51.50 H new ATOM 0 HB VAL A 104 -8.387 2.090 2.165 1.00 43.43 H new ATOM 0 HG11 VAL A 104 -10.532 2.019 0.952 1.00 71.23 H new ATOM 0 HG12 VAL A 104 -10.522 3.268 2.220 1.00 71.23 H new ATOM 0 HG13 VAL A 104 -10.331 3.732 0.512 1.00 71.23 H new ATOM 0 HG21 VAL A 104 -8.450 1.386 -0.202 1.00 74.34 H new ATOM 0 HG22 VAL A 104 -8.134 3.065 -0.701 1.00 74.34 H new ATOM 0 HG23 VAL A 104 -6.907 2.164 0.221 1.00 74.34 H new ATOM 1767 N ARG A 105 -7.036 5.424 -0.049 1.00 71.10 N ATOM 1768 CA ARG A 105 -7.047 6.305 -1.222 1.00 22.52 C ATOM 1769 C ARG A 105 -6.691 5.502 -2.483 1.00 55.52 C ATOM 1770 O ARG A 105 -5.643 4.858 -2.544 1.00 13.15 O ATOM 1771 CB ARG A 105 -6.050 7.459 -1.025 1.00 42.13 C ATOM 1772 CG ARG A 105 -6.373 8.355 0.169 1.00 22.20 C ATOM 1773 CD ARG A 105 -7.763 8.979 0.057 1.00 10.40 C ATOM 1774 NE ARG A 105 -8.125 9.739 1.252 1.00 40.14 N ATOM 1775 CZ ARG A 105 -9.328 9.796 1.753 1.00 14.11 C ATOM 1776 NH1 ARG A 105 -10.317 9.175 1.190 1.00 21.25 N ATOM 1777 NH2 ARG A 105 -9.543 10.484 2.822 1.00 41.44 N ATOM 0 H ARG A 105 -6.130 4.993 0.132 1.00 71.10 H new ATOM 0 HA ARG A 105 -8.046 6.724 -1.343 1.00 22.52 H new ATOM 0 HB2 ARG A 105 -5.050 7.045 -0.897 1.00 42.13 H new ATOM 0 HB3 ARG A 105 -6.029 8.068 -1.929 1.00 42.13 H new ATOM 0 HG2 ARG A 105 -6.311 7.771 1.088 1.00 22.20 H new ATOM 0 HG3 ARG A 105 -5.626 9.145 0.242 1.00 22.20 H new ATOM 0 HD2 ARG A 105 -7.796 9.635 -0.813 1.00 10.40 H new ATOM 0 HD3 ARG A 105 -8.500 8.193 -0.109 1.00 10.40 H new ATOM 0 HE ARG A 105 -7.387 10.260 1.726 1.00 40.14 H new ATOM 0 HH11 ARG A 105 -10.161 8.631 0.342 1.00 21.25 H new ATOM 0 HH12 ARG A 105 -11.251 9.231 1.596 1.00 21.25 H new ATOM 0 HH21 ARG A 105 -8.774 10.981 3.272 1.00 41.44 H new ATOM 0 HH22 ARG A 105 -10.482 10.532 3.218 1.00 41.44 H new ATOM 1791 N THR A 106 -7.569 5.524 -3.481 1.00 65.23 N ATOM 1792 CA THR A 106 -7.362 4.742 -4.710 1.00 65.11 C ATOM 1793 C THR A 106 -6.750 5.587 -5.834 1.00 54.21 C ATOM 1794 O THR A 106 -7.088 6.762 -6.008 1.00 2.31 O ATOM 1795 CB THR A 106 -8.685 4.118 -5.212 1.00 72.53 C ATOM 1796 OG1 THR A 106 -9.665 5.142 -5.446 1.00 33.01 O ATOM 1797 CG2 THR A 106 -9.228 3.112 -4.204 1.00 43.03 C ATOM 0 H THR A 106 -8.430 6.071 -3.470 1.00 65.23 H new ATOM 0 HA THR A 106 -6.663 3.947 -4.450 1.00 65.11 H new ATOM 0 HB THR A 106 -8.477 3.599 -6.148 1.00 72.53 H new ATOM 0 HG1 THR A 106 -10.447 4.751 -5.889 1.00 33.01 H new ATOM 0 HG21 THR A 106 -10.159 2.687 -4.580 1.00 43.03 H new ATOM 0 HG22 THR A 106 -8.499 2.315 -4.056 1.00 43.03 H new ATOM 0 HG23 THR A 106 -9.415 3.613 -3.254 1.00 43.03 H new ATOM 1805 N VAL A 107 -5.831 4.983 -6.590 1.00 21.05 N ATOM 1806 CA VAL A 107 -5.157 5.668 -7.698 1.00 1.33 C ATOM 1807 C VAL A 107 -5.174 4.819 -8.981 1.00 21.52 C ATOM 1808 O VAL A 107 -4.992 3.601 -8.938 1.00 41.54 O ATOM 1809 CB VAL A 107 -3.695 6.032 -7.328 1.00 0.23 C ATOM 1810 CG1 VAL A 107 -3.668 6.991 -6.137 1.00 1.21 C ATOM 1811 CG2 VAL A 107 -2.875 4.776 -7.028 1.00 1.15 C ATOM 0 H VAL A 107 -5.535 4.016 -6.455 1.00 21.05 H new ATOM 0 HA VAL A 107 -5.710 6.588 -7.886 1.00 1.33 H new ATOM 0 HB VAL A 107 -3.243 6.531 -8.185 1.00 0.23 H new ATOM 0 HG11 VAL A 107 -2.635 7.236 -5.891 1.00 1.21 H new ATOM 0 HG12 VAL A 107 -4.206 7.904 -6.392 1.00 1.21 H new ATOM 0 HG13 VAL A 107 -4.143 6.518 -5.278 1.00 1.21 H new ATOM 0 HG21 VAL A 107 -1.854 5.060 -6.772 1.00 1.15 H new ATOM 0 HG22 VAL A 107 -3.323 4.240 -6.191 1.00 1.15 H new ATOM 0 HG23 VAL A 107 -2.862 4.131 -7.907 1.00 1.15 H new ATOM 1821 N THR A 108 -5.409 5.466 -10.121 1.00 40.04 N ATOM 1822 CA THR A 108 -5.480 4.769 -11.419 1.00 60.22 C ATOM 1823 C THR A 108 -4.252 5.041 -12.296 1.00 52.30 C ATOM 1824 O THR A 108 -4.010 4.337 -13.274 1.00 52.03 O ATOM 1825 CB THR A 108 -6.742 5.185 -12.210 1.00 44.53 C ATOM 1826 OG1 THR A 108 -6.770 6.613 -12.378 1.00 5.24 O ATOM 1827 CG2 THR A 108 -8.012 4.725 -11.500 1.00 74.04 C ATOM 0 H THR A 108 -5.555 6.474 -10.180 1.00 40.04 H new ATOM 0 HA THR A 108 -5.518 3.705 -11.184 1.00 60.22 H new ATOM 0 HB THR A 108 -6.701 4.705 -13.188 1.00 44.53 H new ATOM 0 HG1 THR A 108 -7.571 6.868 -12.881 1.00 5.24 H new ATOM 0 HG21 THR A 108 -8.884 5.031 -12.079 1.00 74.04 H new ATOM 0 HG22 THR A 108 -8.003 3.639 -11.405 1.00 74.04 H new ATOM 0 HG23 THR A 108 -8.058 5.176 -10.509 1.00 74.04 H new ATOM 1835 N SER A 109 -3.478 6.060 -11.943 1.00 21.40 N ATOM 1836 CA SER A 109 -2.307 6.457 -12.739 1.00 61.11 C ATOM 1837 C SER A 109 -1.096 6.720 -11.837 1.00 25.22 C ATOM 1838 O SER A 109 -1.253 7.202 -10.717 1.00 41.14 O ATOM 1839 CB SER A 109 -2.625 7.716 -13.563 1.00 61.30 C ATOM 1840 OG SER A 109 -3.711 7.493 -14.450 1.00 3.41 O ATOM 0 H SER A 109 -3.634 6.631 -11.112 1.00 21.40 H new ATOM 0 HA SER A 109 -2.065 5.637 -13.415 1.00 61.11 H new ATOM 0 HB2 SER A 109 -2.864 8.541 -12.892 1.00 61.30 H new ATOM 0 HB3 SER A 109 -1.744 8.013 -14.132 1.00 61.30 H new ATOM 0 HG SER A 109 -3.891 8.311 -14.959 1.00 3.41 H new ATOM 1846 N PRO A 110 0.134 6.414 -12.308 1.00 62.52 N ATOM 1847 CA PRO A 110 1.362 6.643 -11.520 1.00 34.45 C ATOM 1848 C PRO A 110 1.525 8.114 -11.095 1.00 23.13 C ATOM 1849 O PRO A 110 1.928 8.406 -9.967 1.00 61.14 O ATOM 1850 CB PRO A 110 2.496 6.214 -12.473 1.00 42.22 C ATOM 1851 CG PRO A 110 1.876 6.182 -13.833 1.00 0.40 C ATOM 1852 CD PRO A 110 0.432 5.821 -13.624 1.00 1.43 C ATOM 0 HA PRO A 110 1.352 6.085 -10.584 1.00 34.45 H new ATOM 0 HB2 PRO A 110 3.328 6.917 -12.436 1.00 42.22 H new ATOM 0 HB3 PRO A 110 2.892 5.237 -12.198 1.00 42.22 H new ATOM 0 HG2 PRO A 110 1.968 7.150 -14.326 1.00 0.40 H new ATOM 0 HG3 PRO A 110 2.372 5.450 -14.471 1.00 0.40 H new ATOM 0 HD2 PRO A 110 -0.205 6.233 -14.407 1.00 1.43 H new ATOM 0 HD3 PRO A 110 0.281 4.742 -13.625 1.00 1.43 H new ATOM 1860 N ASP A 111 1.206 9.034 -12.004 1.00 30.24 N ATOM 1861 CA ASP A 111 1.219 10.471 -11.699 1.00 2.52 C ATOM 1862 C ASP A 111 0.212 10.802 -10.586 1.00 51.13 C ATOM 1863 O ASP A 111 0.544 11.481 -9.612 1.00 42.13 O ATOM 1864 CB ASP A 111 0.890 11.271 -12.961 1.00 35.30 C ATOM 1865 CG ASP A 111 1.797 10.900 -14.119 1.00 12.12 C ATOM 1866 OD1 ASP A 111 1.565 9.837 -14.737 1.00 34.41 O ATOM 1867 OD2 ASP A 111 2.759 11.650 -14.400 1.00 44.00 O ATOM 0 H ASP A 111 0.934 8.813 -12.962 1.00 30.24 H new ATOM 0 HA ASP A 111 2.215 10.743 -11.350 1.00 2.52 H new ATOM 0 HB2 ASP A 111 -0.148 11.095 -13.242 1.00 35.30 H new ATOM 0 HB3 ASP A 111 0.987 12.336 -12.751 1.00 35.30 H new ATOM 1872 N ASP A 112 -1.016 10.305 -10.743 1.00 25.22 N ATOM 1873 CA ASP A 112 -2.071 10.479 -9.738 1.00 20.32 C ATOM 1874 C ASP A 112 -1.637 9.891 -8.381 1.00 54.13 C ATOM 1875 O ASP A 112 -1.922 10.453 -7.320 1.00 75.30 O ATOM 1876 CB ASP A 112 -3.361 9.809 -10.235 1.00 21.35 C ATOM 1877 CG ASP A 112 -4.555 10.081 -9.337 1.00 13.25 C ATOM 1878 OD1 ASP A 112 -5.206 11.137 -9.503 1.00 41.12 O ATOM 1879 OD2 ASP A 112 -4.854 9.240 -8.468 1.00 35.41 O ATOM 0 H ASP A 112 -1.308 9.774 -11.563 1.00 25.22 H new ATOM 0 HA ASP A 112 -2.254 11.544 -9.592 1.00 20.32 H new ATOM 0 HB2 ASP A 112 -3.583 10.163 -11.242 1.00 21.35 H new ATOM 0 HB3 ASP A 112 -3.202 8.733 -10.303 1.00 21.35 H new ATOM 1884 N PHE A 113 -0.928 8.759 -8.434 1.00 75.33 N ATOM 1885 CA PHE A 113 -0.347 8.136 -7.239 1.00 14.21 C ATOM 1886 C PHE A 113 0.622 9.092 -6.532 1.00 65.22 C ATOM 1887 O PHE A 113 0.530 9.299 -5.322 1.00 25.12 O ATOM 1888 CB PHE A 113 0.377 6.834 -7.618 1.00 51.31 C ATOM 1889 CG PHE A 113 1.256 6.283 -6.517 1.00 71.34 C ATOM 1890 CD1 PHE A 113 0.702 5.624 -5.428 1.00 74.44 C ATOM 1891 CD2 PHE A 113 2.638 6.433 -6.571 1.00 20.03 C ATOM 1892 CE1 PHE A 113 1.506 5.129 -4.418 1.00 74.31 C ATOM 1893 CE2 PHE A 113 3.443 5.940 -5.563 1.00 41.21 C ATOM 1894 CZ PHE A 113 2.877 5.288 -4.487 1.00 3.14 C ATOM 0 H PHE A 113 -0.741 8.252 -9.299 1.00 75.33 H new ATOM 0 HA PHE A 113 -1.159 7.905 -6.550 1.00 14.21 H new ATOM 0 HB2 PHE A 113 -0.364 6.082 -7.889 1.00 51.31 H new ATOM 0 HB3 PHE A 113 0.988 7.013 -8.503 1.00 51.31 H new ATOM 0 HD1 PHE A 113 -0.369 5.497 -5.369 1.00 74.44 H new ATOM 0 HD2 PHE A 113 3.087 6.941 -7.412 1.00 20.03 H new ATOM 0 HE1 PHE A 113 1.063 4.618 -3.576 1.00 74.31 H new ATOM 0 HE2 PHE A 113 4.514 6.065 -5.617 1.00 41.21 H new ATOM 0 HZ PHE A 113 3.506 4.902 -3.698 1.00 3.14 H new ATOM 1904 N LYS A 114 1.551 9.664 -7.298 1.00 22.34 N ATOM 1905 CA LYS A 114 2.510 10.640 -6.766 1.00 21.42 C ATOM 1906 C LYS A 114 1.779 11.803 -6.079 1.00 52.12 C ATOM 1907 O LYS A 114 2.169 12.256 -5.001 1.00 43.21 O ATOM 1908 CB LYS A 114 3.399 11.171 -7.900 1.00 52.33 C ATOM 1909 CG LYS A 114 4.479 12.150 -7.445 1.00 31.42 C ATOM 1910 CD LYS A 114 5.341 12.619 -8.615 1.00 52.42 C ATOM 1911 CE LYS A 114 6.457 13.555 -8.163 1.00 72.51 C ATOM 1912 NZ LYS A 114 5.933 14.806 -7.548 1.00 1.53 N ATOM 0 H LYS A 114 1.662 9.469 -8.293 1.00 22.34 H new ATOM 0 HA LYS A 114 3.135 10.143 -6.024 1.00 21.42 H new ATOM 0 HB2 LYS A 114 3.876 10.327 -8.397 1.00 52.33 H new ATOM 0 HB3 LYS A 114 2.768 11.662 -8.641 1.00 52.33 H new ATOM 0 HG2 LYS A 114 4.012 13.012 -6.968 1.00 31.42 H new ATOM 0 HG3 LYS A 114 5.110 11.673 -6.695 1.00 31.42 H new ATOM 0 HD2 LYS A 114 5.774 11.753 -9.116 1.00 52.42 H new ATOM 0 HD3 LYS A 114 4.714 13.129 -9.346 1.00 52.42 H new ATOM 0 HE2 LYS A 114 7.092 13.038 -7.444 1.00 72.51 H new ATOM 0 HE3 LYS A 114 7.084 13.808 -9.018 1.00 72.51 H new ATOM 0 HZ1 LYS A 114 6.265 15.627 -8.093 1.00 1.53 H new ATOM 0 HZ2 LYS A 114 4.893 14.786 -7.552 1.00 1.53 H new ATOM 0 HZ3 LYS A 114 6.274 14.880 -6.568 1.00 1.53 H new ATOM 1926 N LYS A 115 0.702 12.270 -6.706 1.00 54.52 N ATOM 1927 CA LYS A 115 -0.114 13.347 -6.141 1.00 35.51 C ATOM 1928 C LYS A 115 -0.688 12.958 -4.772 1.00 15.21 C ATOM 1929 O LYS A 115 -0.476 13.655 -3.782 1.00 13.32 O ATOM 1930 CB LYS A 115 -1.249 13.718 -7.104 1.00 11.41 C ATOM 1931 CG LYS A 115 -0.759 14.162 -8.480 1.00 33.11 C ATOM 1932 CD LYS A 115 0.212 15.335 -8.385 1.00 43.40 C ATOM 1933 CE LYS A 115 0.737 15.750 -9.754 1.00 62.44 C ATOM 1934 NZ LYS A 115 1.651 16.919 -9.661 1.00 23.41 N ATOM 0 H LYS A 115 0.372 11.921 -7.606 1.00 54.52 H new ATOM 0 HA LYS A 115 0.532 14.214 -6.000 1.00 35.51 H new ATOM 0 HB2 LYS A 115 -1.910 12.859 -7.222 1.00 11.41 H new ATOM 0 HB3 LYS A 115 -1.842 14.519 -6.663 1.00 11.41 H new ATOM 0 HG2 LYS A 115 -0.270 13.325 -8.979 1.00 33.11 H new ATOM 0 HG3 LYS A 115 -1.613 14.446 -9.096 1.00 33.11 H new ATOM 0 HD2 LYS A 115 -0.287 16.183 -7.915 1.00 43.40 H new ATOM 0 HD3 LYS A 115 1.049 15.062 -7.742 1.00 43.40 H new ATOM 0 HE2 LYS A 115 1.263 14.912 -10.211 1.00 62.44 H new ATOM 0 HE3 LYS A 115 -0.101 15.994 -10.406 1.00 62.44 H new ATOM 0 HZ1 LYS A 115 1.988 17.173 -10.612 1.00 23.41 H new ATOM 0 HZ2 LYS A 115 1.142 17.726 -9.248 1.00 23.41 H new ATOM 0 HZ3 LYS A 115 2.464 16.677 -9.059 1.00 23.41 H new ATOM 1948 N SER A 116 -1.402 11.837 -4.720 1.00 25.41 N ATOM 1949 CA SER A 116 -2.013 11.361 -3.468 1.00 12.45 C ATOM 1950 C SER A 116 -0.959 11.110 -2.377 1.00 41.10 C ATOM 1951 O SER A 116 -1.103 11.566 -1.240 1.00 55.03 O ATOM 1952 CB SER A 116 -2.806 10.071 -3.722 1.00 22.22 C ATOM 1953 OG SER A 116 -3.425 9.599 -2.534 1.00 15.04 O ATOM 0 H SER A 116 -1.576 11.237 -5.526 1.00 25.41 H new ATOM 0 HA SER A 116 -2.685 12.144 -3.116 1.00 12.45 H new ATOM 0 HB2 SER A 116 -3.566 10.253 -4.482 1.00 22.22 H new ATOM 0 HB3 SER A 116 -2.139 9.304 -4.116 1.00 22.22 H new ATOM 0 HG SER A 116 -3.923 8.778 -2.729 1.00 15.04 H new ATOM 1959 N LEU A 117 0.105 10.396 -2.743 1.00 70.31 N ATOM 1960 CA LEU A 117 1.171 10.020 -1.803 1.00 44.41 C ATOM 1961 C LEU A 117 1.756 11.238 -1.068 1.00 3.13 C ATOM 1962 O LEU A 117 1.694 11.325 0.159 1.00 31.21 O ATOM 1963 CB LEU A 117 2.289 9.284 -2.560 1.00 75.05 C ATOM 1964 CG LEU A 117 3.480 8.816 -1.703 1.00 52.43 C ATOM 1965 CD1 LEU A 117 3.041 7.771 -0.681 1.00 62.13 C ATOM 1966 CD2 LEU A 117 4.601 8.275 -2.588 1.00 43.51 C ATOM 0 H LEU A 117 0.256 10.061 -3.695 1.00 70.31 H new ATOM 0 HA LEU A 117 0.731 9.365 -1.051 1.00 44.41 H new ATOM 0 HB2 LEU A 117 1.856 8.414 -3.054 1.00 75.05 H new ATOM 0 HB3 LEU A 117 2.665 9.941 -3.344 1.00 75.05 H new ATOM 0 HG LEU A 117 3.863 9.678 -1.156 1.00 52.43 H new ATOM 0 HD11 LEU A 117 3.901 7.457 -0.089 1.00 62.13 H new ATOM 0 HD12 LEU A 117 2.285 8.200 -0.024 1.00 62.13 H new ATOM 0 HD13 LEU A 117 2.623 6.908 -1.200 1.00 62.13 H new ATOM 0 HD21 LEU A 117 5.433 7.950 -1.963 1.00 43.51 H new ATOM 0 HD22 LEU A 117 4.231 7.430 -3.168 1.00 43.51 H new ATOM 0 HD23 LEU A 117 4.941 9.059 -3.265 1.00 43.51 H new ATOM 1978 N GLU A 118 2.308 12.181 -1.830 1.00 24.41 N ATOM 1979 CA GLU A 118 2.988 13.347 -1.256 1.00 22.11 C ATOM 1980 C GLU A 118 2.063 14.173 -0.340 1.00 10.32 C ATOM 1981 O GLU A 118 2.492 14.663 0.705 1.00 63.40 O ATOM 1982 CB GLU A 118 3.544 14.227 -2.373 1.00 1.42 C ATOM 1983 CG GLU A 118 4.474 13.498 -3.336 1.00 2.11 C ATOM 1984 CD GLU A 118 4.865 14.347 -4.536 1.00 60.31 C ATOM 1985 OE1 GLU A 118 3.978 15.013 -5.121 1.00 3.22 O ATOM 1986 OE2 GLU A 118 6.050 14.334 -4.925 1.00 33.11 O ATOM 0 H GLU A 118 2.299 12.162 -2.850 1.00 24.41 H new ATOM 0 HA GLU A 118 3.806 12.976 -0.638 1.00 22.11 H new ATOM 0 HB2 GLU A 118 2.712 14.648 -2.937 1.00 1.42 H new ATOM 0 HB3 GLU A 118 4.083 15.063 -1.928 1.00 1.42 H new ATOM 0 HG2 GLU A 118 5.375 13.194 -2.803 1.00 2.11 H new ATOM 0 HG3 GLU A 118 3.987 12.587 -3.685 1.00 2.11 H new ATOM 1993 N ARG A 119 0.795 14.330 -0.732 1.00 71.02 N ATOM 1994 CA ARG A 119 -0.184 15.023 0.123 1.00 5.00 C ATOM 1995 C ARG A 119 -0.377 14.280 1.459 1.00 4.14 C ATOM 1996 O ARG A 119 -0.357 14.891 2.531 1.00 21.34 O ATOM 1997 CB ARG A 119 -1.544 15.173 -0.588 1.00 53.52 C ATOM 1998 CG ARG A 119 -1.702 16.436 -1.445 1.00 51.32 C ATOM 1999 CD ARG A 119 -0.864 16.410 -2.726 1.00 5.42 C ATOM 2000 NE ARG A 119 0.489 16.937 -2.540 1.00 72.21 N ATOM 2001 CZ ARG A 119 1.509 16.624 -3.296 1.00 13.10 C ATOM 2002 NH1 ARG A 119 1.413 15.679 -4.176 1.00 72.32 N ATOM 2003 NH2 ARG A 119 2.638 17.227 -3.143 1.00 55.22 N ATOM 0 H ARG A 119 0.423 13.994 -1.620 1.00 71.02 H new ATOM 0 HA ARG A 119 0.214 16.017 0.326 1.00 5.00 H new ATOM 0 HB2 ARG A 119 -1.701 14.301 -1.223 1.00 53.52 H new ATOM 0 HB3 ARG A 119 -2.332 15.165 0.165 1.00 53.52 H new ATOM 0 HG2 ARG A 119 -2.752 16.558 -1.709 1.00 51.32 H new ATOM 0 HG3 ARG A 119 -1.419 17.306 -0.852 1.00 51.32 H new ATOM 0 HD2 ARG A 119 -0.801 15.385 -3.091 1.00 5.42 H new ATOM 0 HD3 ARG A 119 -1.371 16.991 -3.496 1.00 5.42 H new ATOM 0 HE ARG A 119 0.646 17.590 -1.772 1.00 72.21 H new ATOM 0 HH11 ARG A 119 0.535 15.171 -4.285 1.00 72.32 H new ATOM 0 HH12 ARG A 119 2.215 15.443 -4.761 1.00 72.32 H new ATOM 0 HH21 ARG A 119 2.737 17.950 -2.431 1.00 55.22 H new ATOM 0 HH22 ARG A 119 3.432 16.981 -3.734 1.00 55.22 H new ATOM 2017 N LEU A 120 -0.552 12.959 1.390 1.00 4.34 N ATOM 2018 CA LEU A 120 -0.740 12.138 2.594 1.00 20.45 C ATOM 2019 C LEU A 120 0.485 12.200 3.522 1.00 34.45 C ATOM 2020 O LEU A 120 0.351 12.104 4.745 1.00 72.34 O ATOM 2021 CB LEU A 120 -1.039 10.681 2.212 1.00 51.32 C ATOM 2022 CG LEU A 120 -2.374 10.455 1.477 1.00 22.55 C ATOM 2023 CD1 LEU A 120 -2.559 8.981 1.126 1.00 44.13 C ATOM 2024 CD2 LEU A 120 -3.544 10.962 2.319 1.00 24.35 C ATOM 0 H LEU A 120 -0.568 12.433 0.516 1.00 4.34 H new ATOM 0 HA LEU A 120 -1.592 12.547 3.137 1.00 20.45 H new ATOM 0 HB2 LEU A 120 -0.229 10.314 1.581 1.00 51.32 H new ATOM 0 HB3 LEU A 120 -1.035 10.077 3.119 1.00 51.32 H new ATOM 0 HG LEU A 120 -2.350 11.023 0.547 1.00 22.55 H new ATOM 0 HD11 LEU A 120 -3.509 8.847 0.608 1.00 44.13 H new ATOM 0 HD12 LEU A 120 -1.744 8.656 0.480 1.00 44.13 H new ATOM 0 HD13 LEU A 120 -2.557 8.386 2.040 1.00 44.13 H new ATOM 0 HD21 LEU A 120 -4.478 10.794 1.783 1.00 24.35 H new ATOM 0 HD22 LEU A 120 -3.569 10.426 3.268 1.00 24.35 H new ATOM 0 HD23 LEU A 120 -3.421 12.029 2.508 1.00 24.35 H new ATOM 2036 N ILE A 121 1.673 12.367 2.939 1.00 1.40 N ATOM 2037 CA ILE A 121 2.907 12.524 3.721 1.00 75.14 C ATOM 2038 C ILE A 121 2.780 13.674 4.737 1.00 71.03 C ATOM 2039 O ILE A 121 3.276 13.580 5.857 1.00 43.52 O ATOM 2040 CB ILE A 121 4.136 12.770 2.801 1.00 53.35 C ATOM 2041 CG1 ILE A 121 4.371 11.556 1.883 1.00 52.21 C ATOM 2042 CG2 ILE A 121 5.389 13.069 3.629 1.00 73.31 C ATOM 2043 CD1 ILE A 121 5.522 11.728 0.913 1.00 44.14 C ATOM 0 H ILE A 121 1.810 12.397 1.929 1.00 1.40 H new ATOM 0 HA ILE A 121 3.061 11.591 4.263 1.00 75.14 H new ATOM 0 HB ILE A 121 3.927 13.641 2.179 1.00 53.35 H new ATOM 0 HG12 ILE A 121 4.559 10.678 2.501 1.00 52.21 H new ATOM 0 HG13 ILE A 121 3.460 11.359 1.318 1.00 52.21 H new ATOM 0 HG21 ILE A 121 6.234 13.237 2.962 1.00 73.31 H new ATOM 0 HG22 ILE A 121 5.221 13.960 4.234 1.00 73.31 H new ATOM 0 HG23 ILE A 121 5.604 12.223 4.281 1.00 73.31 H new ATOM 0 HD11 ILE A 121 5.621 10.830 0.303 1.00 44.14 H new ATOM 0 HD12 ILE A 121 5.329 12.585 0.268 1.00 44.14 H new ATOM 0 HD13 ILE A 121 6.445 11.893 1.469 1.00 44.14 H new ATOM 2055 N ARG A 122 2.092 14.747 4.345 1.00 12.42 N ATOM 2056 CA ARG A 122 1.832 15.876 5.250 1.00 72.42 C ATOM 2057 C ARG A 122 0.810 15.505 6.336 1.00 61.24 C ATOM 2058 O ARG A 122 0.949 15.895 7.498 1.00 35.51 O ATOM 2059 CB ARG A 122 1.321 17.091 4.457 1.00 71.02 C ATOM 2060 CG ARG A 122 2.374 17.735 3.562 1.00 5.02 C ATOM 2061 CD ARG A 122 3.513 18.345 4.375 1.00 62.13 C ATOM 2062 NE ARG A 122 3.041 19.393 5.286 1.00 51.43 N ATOM 2063 CZ ARG A 122 3.791 20.362 5.745 1.00 61.34 C ATOM 2064 NH1 ARG A 122 5.040 20.445 5.410 1.00 71.31 N ATOM 2065 NH2 ARG A 122 3.288 21.246 6.545 1.00 13.30 N ATOM 0 H ARG A 122 1.704 14.862 3.409 1.00 12.42 H new ATOM 0 HA ARG A 122 2.774 16.128 5.737 1.00 72.42 H new ATOM 0 HB2 ARG A 122 0.476 16.781 3.842 1.00 71.02 H new ATOM 0 HB3 ARG A 122 0.948 17.838 5.157 1.00 71.02 H new ATOM 0 HG2 ARG A 122 2.776 16.988 2.878 1.00 5.02 H new ATOM 0 HG3 ARG A 122 1.908 18.509 2.952 1.00 5.02 H new ATOM 0 HD2 ARG A 122 4.008 17.562 4.949 1.00 62.13 H new ATOM 0 HD3 ARG A 122 4.258 18.763 3.698 1.00 62.13 H new ATOM 0 HE ARG A 122 2.065 19.365 5.581 1.00 51.43 H new ATOM 0 HH11 ARG A 122 5.447 19.751 4.783 1.00 71.31 H new ATOM 0 HH12 ARG A 122 5.616 21.204 5.773 1.00 71.31 H new ATOM 0 HH21 ARG A 122 2.307 21.187 6.818 1.00 13.30 H new ATOM 0 HH22 ARG A 122 3.873 22.001 6.903 1.00 13.30 H new ATOM 2079 N GLU A 123 -0.210 14.745 5.945 1.00 43.34 N ATOM 2080 CA GLU A 123 -1.300 14.363 6.851 1.00 32.43 C ATOM 2081 C GLU A 123 -0.816 13.448 7.992 1.00 11.35 C ATOM 2082 O GLU A 123 -1.275 13.563 9.132 1.00 71.44 O ATOM 2083 CB GLU A 123 -2.411 13.663 6.055 1.00 55.33 C ATOM 2084 CG GLU A 123 -2.896 14.451 4.837 1.00 24.23 C ATOM 2085 CD GLU A 123 -3.454 15.821 5.192 1.00 42.30 C ATOM 2086 OE1 GLU A 123 -4.653 15.907 5.535 1.00 32.41 O ATOM 2087 OE2 GLU A 123 -2.699 16.817 5.132 1.00 12.00 O ATOM 0 H GLU A 123 -0.308 14.377 4.999 1.00 43.34 H new ATOM 0 HA GLU A 123 -1.685 15.275 7.307 1.00 32.43 H new ATOM 0 HB2 GLU A 123 -2.049 12.690 5.724 1.00 55.33 H new ATOM 0 HB3 GLU A 123 -3.258 13.480 6.717 1.00 55.33 H new ATOM 0 HG2 GLU A 123 -2.068 14.573 4.138 1.00 24.23 H new ATOM 0 HG3 GLU A 123 -3.665 13.875 4.323 1.00 24.23 H new