USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0682 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.137 K(o=-0.14,f=-4.5!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.0045) USER MOD Single : A 7 TYR OH : rot 70:sc= -2.18 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 89:sc= 1.31 USER MOD Single : A 24 GLN : amide:sc= -0.0906 K(o=-0.091,f=-0.7) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 42 SER OG : rot 67:sc= 0.433 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.36 K(o=-1.4,f=-11!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 61 ASN : amide:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.277 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 89 GLN :FLIP amide:sc= 0.161 F(o=-2.2!,f=0.16) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-4.3e-05) USER MOD Single : A 101 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.19) USER MOD Single : A 103 ASN : amide:sc= -0.0213 X(o=-0.021,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.563 -0.888 0.751 1.00 72.42 N ATOM 2 CA GLY A 1 1.762 -1.676 0.970 1.00 42.52 C ATOM 3 C GLY A 1 2.906 -1.252 0.070 1.00 3.54 C ATOM 4 O GLY A 1 2.691 -0.613 -0.959 1.00 24.01 O ATOM 0 H1 GLY A 1 0.368 -0.311 1.594 1.00 72.42 H new ATOM 0 H2 GLY A 1 0.702 -0.265 -0.070 1.00 72.42 H new ATOM 0 H3 GLY A 1 -0.241 -1.522 0.572 1.00 72.42 H new ATOM 0 HA2 GLY A 1 2.069 -1.583 2.012 1.00 42.52 H new ATOM 0 HA3 GLY A 1 1.538 -2.729 0.797 1.00 42.52 H new ATOM 8 N ASN A 2 4.126 -1.606 0.460 1.00 24.15 N ATOM 9 CA ASN A 2 5.309 -1.256 -0.317 1.00 64.03 C ATOM 10 C ASN A 2 5.541 -2.264 -1.439 1.00 22.35 C ATOM 11 O ASN A 2 5.051 -3.392 -1.384 1.00 61.22 O ATOM 12 CB ASN A 2 6.540 -1.192 0.589 1.00 65.01 C ATOM 13 CG ASN A 2 7.559 -0.175 0.110 1.00 34.11 C ATOM 14 OD1 ASN A 2 7.453 0.352 -0.997 1.00 74.35 O ATOM 15 ND2 ASN A 2 8.552 0.105 0.945 1.00 4.12 N ATOM 0 H ASN A 2 4.321 -2.135 1.310 1.00 24.15 H new ATOM 0 HA ASN A 2 5.143 -0.275 -0.762 1.00 64.03 H new ATOM 0 HB2 ASN A 2 6.229 -0.940 1.603 1.00 65.01 H new ATOM 0 HB3 ASN A 2 7.006 -2.176 0.634 1.00 65.01 H new ATOM 0 HD21 ASN A 2 9.267 0.782 0.678 1.00 4.12 H new ATOM 0 HD22 ASN A 2 8.600 -0.356 1.853 1.00 4.12 H new ATOM 22 N SER A 3 6.292 -1.850 -2.454 1.00 3.22 N ATOM 23 CA SER A 3 6.587 -2.715 -3.590 1.00 20.21 C ATOM 24 C SER A 3 8.091 -2.807 -3.827 1.00 44.10 C ATOM 25 O SER A 3 8.637 -3.896 -4.000 1.00 62.21 O ATOM 26 CB SER A 3 5.892 -2.194 -4.849 1.00 34.10 C ATOM 27 OG SER A 3 5.233 -0.965 -4.596 1.00 75.41 O ATOM 0 H SER A 3 6.708 -0.920 -2.513 1.00 3.22 H new ATOM 0 HA SER A 3 6.211 -3.712 -3.362 1.00 20.21 H new ATOM 0 HB2 SER A 3 6.625 -2.060 -5.644 1.00 34.10 H new ATOM 0 HB3 SER A 3 5.171 -2.931 -5.202 1.00 34.10 H new ATOM 0 HG SER A 3 4.798 -0.652 -5.417 1.00 75.41 H new ATOM 33 N GLN A 4 8.754 -1.655 -3.833 1.00 43.14 N ATOM 34 CA GLN A 4 10.195 -1.605 -4.050 1.00 3.40 C ATOM 35 C GLN A 4 10.951 -1.897 -2.758 1.00 34.43 C ATOM 36 O GLN A 4 10.967 -1.078 -1.838 1.00 64.43 O ATOM 37 CB GLN A 4 10.603 -0.234 -4.594 1.00 21.33 C ATOM 38 CG GLN A 4 11.483 -0.308 -5.831 1.00 41.11 C ATOM 39 CD GLN A 4 10.754 0.113 -7.092 1.00 11.33 C ATOM 40 OE1 GLN A 4 9.765 -0.505 -7.487 1.00 22.12 O ATOM 41 NE2 GLN A 4 11.239 1.171 -7.731 1.00 0.30 N ATOM 0 H GLN A 4 8.317 -0.745 -3.690 1.00 43.14 H new ATOM 0 HA GLN A 4 10.453 -2.371 -4.782 1.00 3.40 H new ATOM 0 HB2 GLN A 4 9.704 0.336 -4.831 1.00 21.33 H new ATOM 0 HB3 GLN A 4 11.132 0.314 -3.814 1.00 21.33 H new ATOM 0 HG2 GLN A 4 12.356 0.330 -5.690 1.00 41.11 H new ATOM 0 HG3 GLN A 4 11.850 -1.327 -5.951 1.00 41.11 H new ATOM 0 HE21 GLN A 4 12.061 1.653 -7.368 1.00 0.30 H new ATOM 0 HE22 GLN A 4 10.789 1.501 -8.585 1.00 0.30 H new ATOM 50 N ILE A 5 11.573 -3.069 -2.695 1.00 25.41 N ATOM 51 CA ILE A 5 12.331 -3.469 -1.515 1.00 72.13 C ATOM 52 C ILE A 5 13.676 -4.072 -1.904 1.00 63.02 C ATOM 53 O ILE A 5 13.787 -4.772 -2.911 1.00 44.14 O ATOM 54 CB ILE A 5 11.551 -4.489 -0.664 1.00 52.44 C ATOM 55 CG1 ILE A 5 10.113 -4.012 -0.450 1.00 34.52 C ATOM 56 CG2 ILE A 5 12.247 -4.707 0.671 1.00 71.04 C ATOM 57 CD1 ILE A 5 10.013 -2.728 0.343 1.00 22.11 C ATOM 0 H ILE A 5 11.567 -3.758 -3.447 1.00 25.41 H new ATOM 0 HA ILE A 5 12.497 -2.567 -0.926 1.00 72.13 H new ATOM 0 HB ILE A 5 11.523 -5.440 -1.196 1.00 52.44 H new ATOM 0 HG12 ILE A 5 9.639 -3.868 -1.421 1.00 34.52 H new ATOM 0 HG13 ILE A 5 9.553 -4.792 0.066 1.00 34.52 H new ATOM 0 HG21 ILE A 5 11.684 -5.430 1.261 1.00 71.04 H new ATOM 0 HG22 ILE A 5 13.255 -5.085 0.499 1.00 71.04 H new ATOM 0 HG23 ILE A 5 12.302 -3.762 1.211 1.00 71.04 H new ATOM 0 HD11 ILE A 5 8.965 -2.450 0.455 1.00 22.11 H new ATOM 0 HD12 ILE A 5 10.458 -2.873 1.328 1.00 22.11 H new ATOM 0 HD13 ILE A 5 10.544 -1.934 -0.182 1.00 22.11 H new ATOM 69 N HIS A 6 14.697 -3.797 -1.098 1.00 71.41 N ATOM 70 CA HIS A 6 16.036 -4.315 -1.356 1.00 50.24 C ATOM 71 C HIS A 6 16.704 -4.766 -0.061 1.00 15.33 C ATOM 72 O HIS A 6 16.392 -4.260 1.018 1.00 23.21 O ATOM 73 CB HIS A 6 16.893 -3.251 -2.042 1.00 44.30 C ATOM 74 CG HIS A 6 16.901 -1.935 -1.326 1.00 53.04 C ATOM 75 ND1 HIS A 6 16.308 -0.798 -1.835 1.00 30.52 N ATOM 76 CD2 HIS A 6 17.432 -1.579 -0.134 1.00 1.05 C ATOM 77 CE1 HIS A 6 16.476 0.200 -0.986 1.00 50.14 C ATOM 78 NE2 HIS A 6 17.155 -0.247 0.055 1.00 73.33 N ATOM 0 H HIS A 6 14.623 -3.219 -0.261 1.00 71.41 H new ATOM 0 HA HIS A 6 15.944 -5.178 -2.015 1.00 50.24 H new ATOM 0 HB2 HIS A 6 17.916 -3.617 -2.123 1.00 44.30 H new ATOM 0 HB3 HIS A 6 16.527 -3.101 -3.058 1.00 44.30 H new ATOM 0 HD2 HIS A 6 17.973 -2.223 0.543 1.00 1.05 H new ATOM 0 HE1 HIS A 6 16.119 1.210 -1.120 1.00 50.14 H new ATOM 0 HE2 HIS A 6 17.429 0.307 0.867 1.00 73.33 H new ATOM 86 N TYR A 7 17.621 -5.719 -0.175 1.00 22.25 N ATOM 87 CA TYR A 7 18.330 -6.240 0.988 1.00 21.51 C ATOM 88 C TYR A 7 19.840 -6.155 0.789 1.00 63.33 C ATOM 89 O TYR A 7 20.321 -5.990 -0.332 1.00 44.01 O ATOM 90 CB TYR A 7 17.920 -7.690 1.254 1.00 65.02 C ATOM 91 CG TYR A 7 16.432 -7.930 1.138 1.00 1.41 C ATOM 92 CD1 TYR A 7 15.520 -7.036 1.685 1.00 12.13 C ATOM 93 CD2 TYR A 7 15.938 -9.050 0.480 1.00 1.54 C ATOM 94 CE1 TYR A 7 14.159 -7.251 1.583 1.00 62.45 C ATOM 95 CE2 TYR A 7 14.579 -9.272 0.372 1.00 70.35 C ATOM 96 CZ TYR A 7 13.694 -8.371 0.925 1.00 53.34 C ATOM 97 OH TYR A 7 12.339 -8.588 0.819 1.00 61.22 O ATOM 0 H TYR A 7 17.891 -6.147 -1.061 1.00 22.25 H new ATOM 0 HA TYR A 7 18.061 -5.629 1.850 1.00 21.51 H new ATOM 0 HB2 TYR A 7 18.440 -8.341 0.551 1.00 65.02 H new ATOM 0 HB3 TYR A 7 18.248 -7.974 2.254 1.00 65.02 H new ATOM 0 HD1 TYR A 7 15.881 -6.158 2.199 1.00 12.13 H new ATOM 0 HD2 TYR A 7 16.628 -9.758 0.046 1.00 1.54 H new ATOM 0 HE1 TYR A 7 13.464 -6.547 2.016 1.00 62.45 H new ATOM 0 HE2 TYR A 7 14.211 -10.147 -0.143 1.00 70.35 H new ATOM 0 HH TYR A 7 11.949 -7.928 0.208 1.00 61.22 H new ATOM 107 N SER A 8 20.583 -6.270 1.885 1.00 32.32 N ATOM 108 CA SER A 8 22.038 -6.203 1.833 1.00 25.32 C ATOM 109 C SER A 8 22.660 -7.508 2.321 1.00 22.31 C ATOM 110 O SER A 8 22.438 -7.928 3.457 1.00 12.43 O ATOM 111 CB SER A 8 22.547 -5.035 2.680 1.00 30.00 C ATOM 112 OG SER A 8 21.531 -4.067 2.876 1.00 12.00 O ATOM 0 H SER A 8 20.201 -6.410 2.820 1.00 32.32 H new ATOM 0 HA SER A 8 22.332 -6.046 0.795 1.00 25.32 H new ATOM 0 HB2 SER A 8 22.892 -5.405 3.645 1.00 30.00 H new ATOM 0 HB3 SER A 8 23.404 -4.573 2.190 1.00 30.00 H new ATOM 0 HG SER A 8 21.881 -3.332 3.422 1.00 12.00 H new ATOM 118 N ILE A 9 23.440 -8.145 1.454 1.00 72.30 N ATOM 119 CA ILE A 9 24.095 -9.402 1.796 1.00 12.31 C ATOM 120 C ILE A 9 25.539 -9.420 1.306 1.00 75.45 C ATOM 121 O ILE A 9 25.826 -9.172 0.134 1.00 13.24 O ATOM 122 CB ILE A 9 23.346 -10.608 1.199 1.00 51.20 C ATOM 123 CG1 ILE A 9 24.199 -11.873 1.314 1.00 74.11 C ATOM 124 CG2 ILE A 9 22.981 -10.339 -0.253 1.00 50.42 C ATOM 125 CD1 ILE A 9 24.953 -12.210 0.047 1.00 24.21 C ATOM 0 H ILE A 9 23.634 -7.812 0.510 1.00 72.30 H new ATOM 0 HA ILE A 9 24.082 -9.479 2.883 1.00 12.31 H new ATOM 0 HB ILE A 9 22.425 -10.760 1.762 1.00 51.20 H new ATOM 0 HG12 ILE A 9 24.912 -11.748 2.129 1.00 74.11 H new ATOM 0 HG13 ILE A 9 23.556 -12.712 1.579 1.00 74.11 H new ATOM 0 HG21 ILE A 9 22.452 -11.200 -0.661 1.00 50.42 H new ATOM 0 HG22 ILE A 9 22.340 -9.459 -0.310 1.00 50.42 H new ATOM 0 HG23 ILE A 9 23.889 -10.164 -0.830 1.00 50.42 H new ATOM 0 HD11 ILE A 9 25.536 -13.118 0.201 1.00 24.21 H new ATOM 0 HD12 ILE A 9 24.245 -12.367 -0.767 1.00 24.21 H new ATOM 0 HD13 ILE A 9 25.622 -11.388 -0.208 1.00 24.21 H new ATOM 137 N PRO A 10 26.471 -9.724 2.221 1.00 14.11 N ATOM 138 CA PRO A 10 27.901 -9.785 1.905 1.00 54.03 C ATOM 139 C PRO A 10 28.247 -10.974 1.015 1.00 42.22 C ATOM 140 O PRO A 10 27.774 -12.087 1.240 1.00 72.13 O ATOM 141 CB PRO A 10 28.562 -9.934 3.277 1.00 14.23 C ATOM 142 CG PRO A 10 27.516 -10.559 4.135 1.00 25.32 C ATOM 143 CD PRO A 10 26.200 -10.031 3.636 1.00 61.34 C ATOM 0 HA PRO A 10 28.234 -8.908 1.350 1.00 54.03 H new ATOM 0 HB2 PRO A 10 29.454 -10.559 3.221 1.00 14.23 H new ATOM 0 HB3 PRO A 10 28.874 -8.968 3.673 1.00 14.23 H new ATOM 0 HG2 PRO A 10 27.552 -11.646 4.065 1.00 25.32 H new ATOM 0 HG3 PRO A 10 27.667 -10.302 5.184 1.00 25.32 H new ATOM 0 HD2 PRO A 10 25.405 -10.769 3.742 1.00 61.34 H new ATOM 0 HD3 PRO A 10 25.888 -9.144 4.187 1.00 61.34 H new ATOM 151 N GLU A 11 29.076 -10.729 0.005 1.00 62.43 N ATOM 152 CA GLU A 11 29.485 -11.781 -0.919 1.00 21.33 C ATOM 153 C GLU A 11 29.952 -13.020 -0.160 1.00 20.12 C ATOM 154 O GLU A 11 30.435 -12.924 0.968 1.00 41.22 O ATOM 155 CB GLU A 11 30.603 -11.280 -1.835 1.00 52.33 C ATOM 156 CG GLU A 11 30.172 -11.107 -3.282 1.00 61.32 C ATOM 157 CD GLU A 11 30.999 -11.942 -4.241 1.00 23.14 C ATOM 158 OE1 GLU A 11 31.423 -13.049 -3.848 1.00 71.50 O ATOM 159 OE2 GLU A 11 31.223 -11.488 -5.382 1.00 62.41 O ATOM 0 H GLU A 11 29.477 -9.813 -0.194 1.00 62.43 H new ATOM 0 HA GLU A 11 28.621 -12.051 -1.526 1.00 21.33 H new ATOM 0 HB2 GLU A 11 30.970 -10.326 -1.457 1.00 52.33 H new ATOM 0 HB3 GLU A 11 31.436 -11.981 -1.794 1.00 52.33 H new ATOM 0 HG2 GLU A 11 29.122 -11.382 -3.380 1.00 61.32 H new ATOM 0 HG3 GLU A 11 30.253 -10.056 -3.558 1.00 61.32 H new ATOM 166 N GLU A 12 29.803 -14.183 -0.787 1.00 42.55 N ATOM 167 CA GLU A 12 30.208 -15.440 -0.171 1.00 23.22 C ATOM 168 C GLU A 12 29.380 -15.725 1.079 1.00 72.45 C ATOM 169 O GLU A 12 29.912 -16.138 2.108 1.00 21.14 O ATOM 170 CB GLU A 12 31.695 -15.402 0.188 1.00 64.32 C ATOM 171 CG GLU A 12 32.412 -16.722 -0.046 1.00 15.14 C ATOM 172 CD GLU A 12 33.849 -16.535 -0.490 1.00 41.24 C ATOM 173 OE1 GLU A 12 34.069 -15.877 -1.529 1.00 13.03 O ATOM 174 OE2 GLU A 12 34.755 -17.047 0.201 1.00 53.41 O ATOM 0 H GLU A 12 29.405 -14.280 -1.721 1.00 42.55 H new ATOM 0 HA GLU A 12 30.035 -16.240 -0.891 1.00 23.22 H new ATOM 0 HB2 GLU A 12 32.182 -14.624 -0.400 1.00 64.32 H new ATOM 0 HB3 GLU A 12 31.800 -15.122 1.236 1.00 64.32 H new ATOM 0 HG2 GLU A 12 32.393 -17.309 0.872 1.00 15.14 H new ATOM 0 HG3 GLU A 12 31.874 -17.294 -0.802 1.00 15.14 H new ATOM 181 N ALA A 13 28.074 -15.501 0.979 1.00 74.31 N ATOM 182 CA ALA A 13 27.171 -15.735 2.099 1.00 32.11 C ATOM 183 C ALA A 13 26.649 -17.168 2.094 1.00 52.12 C ATOM 184 O ALA A 13 25.855 -17.548 1.232 1.00 2.44 O ATOM 185 CB ALA A 13 26.013 -14.749 2.058 1.00 34.23 C ATOM 0 H ALA A 13 27.618 -15.158 0.134 1.00 74.31 H new ATOM 0 HA ALA A 13 27.730 -15.584 3.022 1.00 32.11 H new ATOM 0 HB1 ALA A 13 25.347 -14.935 2.900 1.00 34.23 H new ATOM 0 HB2 ALA A 13 26.399 -13.732 2.119 1.00 34.23 H new ATOM 0 HB3 ALA A 13 25.463 -14.873 1.125 1.00 34.23 H new ATOM 191 N LYS A 14 27.100 -17.960 3.060 1.00 34.52 N ATOM 192 CA LYS A 14 26.678 -19.352 3.168 1.00 21.11 C ATOM 193 C LYS A 14 25.163 -19.452 3.312 1.00 71.11 C ATOM 194 O LYS A 14 24.516 -18.538 3.825 1.00 23.31 O ATOM 195 CB LYS A 14 27.360 -20.022 4.363 1.00 12.35 C ATOM 196 CG LYS A 14 27.166 -19.274 5.671 1.00 22.14 C ATOM 197 CD LYS A 14 27.708 -20.064 6.851 1.00 73.31 C ATOM 198 CE LYS A 14 27.270 -19.459 8.176 1.00 53.24 C ATOM 199 NZ LYS A 14 28.404 -18.812 8.892 1.00 51.02 N ATOM 0 H LYS A 14 27.758 -17.662 3.780 1.00 34.52 H new ATOM 0 HA LYS A 14 26.973 -19.867 2.254 1.00 21.11 H new ATOM 0 HB2 LYS A 14 26.971 -21.035 4.472 1.00 12.35 H new ATOM 0 HB3 LYS A 14 28.427 -20.110 4.159 1.00 12.35 H new ATOM 0 HG2 LYS A 14 27.669 -18.308 5.617 1.00 22.14 H new ATOM 0 HG3 LYS A 14 26.105 -19.073 5.823 1.00 22.14 H new ATOM 0 HD2 LYS A 14 27.362 -21.096 6.789 1.00 73.31 H new ATOM 0 HD3 LYS A 14 28.797 -20.089 6.804 1.00 73.31 H new ATOM 0 HE2 LYS A 14 26.486 -18.723 7.998 1.00 53.24 H new ATOM 0 HE3 LYS A 14 26.839 -20.237 8.806 1.00 53.24 H new ATOM 0 HZ1 LYS A 14 28.065 -18.412 9.790 1.00 51.02 H new ATOM 0 HZ2 LYS A 14 29.142 -19.519 9.085 1.00 51.02 H new ATOM 0 HZ3 LYS A 14 28.799 -18.052 8.302 1.00 51.02 H new ATOM 213 N HIS A 15 24.602 -20.568 2.857 1.00 61.21 N ATOM 214 CA HIS A 15 23.162 -20.788 2.937 1.00 24.11 C ATOM 215 C HIS A 15 22.656 -20.557 4.358 1.00 71.33 C ATOM 216 O HIS A 15 23.098 -21.214 5.299 1.00 32.42 O ATOM 217 CB HIS A 15 22.816 -22.207 2.484 1.00 52.53 C ATOM 218 CG HIS A 15 22.772 -22.366 0.995 1.00 15.51 C ATOM 219 ND1 HIS A 15 22.088 -23.385 0.367 1.00 14.01 N ATOM 220 CD2 HIS A 15 23.330 -21.626 0.009 1.00 42.13 C ATOM 221 CE1 HIS A 15 22.229 -23.267 -0.941 1.00 10.40 C ATOM 222 NE2 HIS A 15 22.978 -22.207 -1.185 1.00 4.42 N ATOM 0 H HIS A 15 25.122 -21.334 2.429 1.00 61.21 H new ATOM 0 HA HIS A 15 22.672 -20.074 2.275 1.00 24.11 H new ATOM 0 HB2 HIS A 15 23.551 -22.900 2.894 1.00 52.53 H new ATOM 0 HB3 HIS A 15 21.848 -22.487 2.900 1.00 52.53 H new ATOM 0 HD2 HIS A 15 23.939 -20.743 0.137 1.00 42.13 H new ATOM 0 HE1 HIS A 15 21.804 -23.925 -1.684 1.00 10.40 H new ATOM 0 HE2 HIS A 15 23.251 -21.874 -2.110 1.00 4.42 H new ATOM 230 N GLY A 16 21.726 -19.618 4.504 1.00 21.23 N ATOM 231 CA GLY A 16 21.176 -19.317 5.813 1.00 72.00 C ATOM 232 C GLY A 16 21.683 -18.000 6.366 1.00 52.10 C ATOM 233 O GLY A 16 21.434 -17.667 7.525 1.00 0.12 O ATOM 0 H GLY A 16 21.344 -19.061 3.740 1.00 21.23 H new ATOM 0 HA2 GLY A 16 20.088 -19.286 5.748 1.00 72.00 H new ATOM 0 HA3 GLY A 16 21.431 -20.120 6.504 1.00 72.00 H new ATOM 237 N THR A 17 22.398 -17.247 5.536 1.00 64.32 N ATOM 238 CA THR A 17 22.944 -15.961 5.949 1.00 43.33 C ATOM 239 C THR A 17 21.876 -14.874 5.915 1.00 41.21 C ATOM 240 O THR A 17 21.032 -14.847 5.019 1.00 35.04 O ATOM 241 CB THR A 17 24.122 -15.536 5.051 1.00 54.32 C ATOM 242 OG1 THR A 17 25.210 -16.453 5.203 1.00 21.53 O ATOM 243 CG2 THR A 17 24.586 -14.129 5.397 1.00 55.13 C ATOM 0 H THR A 17 22.612 -17.506 4.573 1.00 64.32 H new ATOM 0 HA THR A 17 23.302 -16.083 6.971 1.00 43.33 H new ATOM 0 HB THR A 17 23.782 -15.545 4.015 1.00 54.32 H new ATOM 0 HG1 THR A 17 25.111 -17.187 4.562 1.00 21.53 H new ATOM 0 HG21 THR A 17 25.418 -13.851 4.750 1.00 55.13 H new ATOM 0 HG22 THR A 17 23.764 -13.429 5.252 1.00 55.13 H new ATOM 0 HG23 THR A 17 24.909 -14.098 6.438 1.00 55.13 H new ATOM 251 N PHE A 18 21.919 -13.978 6.895 1.00 11.24 N ATOM 252 CA PHE A 18 20.954 -12.888 6.978 1.00 53.24 C ATOM 253 C PHE A 18 21.100 -11.941 5.790 1.00 3.32 C ATOM 254 O PHE A 18 22.212 -11.575 5.406 1.00 34.44 O ATOM 255 CB PHE A 18 21.135 -12.115 8.286 1.00 62.31 C ATOM 256 CG PHE A 18 20.427 -10.791 8.303 1.00 13.03 C ATOM 257 CD1 PHE A 18 19.079 -10.707 7.994 1.00 34.51 C ATOM 258 CD2 PHE A 18 21.109 -9.630 8.629 1.00 14.23 C ATOM 259 CE1 PHE A 18 18.425 -9.490 8.009 1.00 53.03 C ATOM 260 CE2 PHE A 18 20.460 -8.409 8.646 1.00 72.41 C ATOM 261 CZ PHE A 18 19.116 -8.340 8.336 1.00 12.21 C ATOM 0 H PHE A 18 22.612 -13.985 7.643 1.00 11.24 H new ATOM 0 HA PHE A 18 19.954 -13.320 6.956 1.00 53.24 H new ATOM 0 HB2 PHE A 18 20.769 -12.724 9.112 1.00 62.31 H new ATOM 0 HB3 PHE A 18 22.199 -11.951 8.458 1.00 62.31 H new ATOM 0 HD1 PHE A 18 18.533 -11.603 7.738 1.00 34.51 H new ATOM 0 HD2 PHE A 18 22.160 -9.679 8.873 1.00 14.23 H new ATOM 0 HE1 PHE A 18 17.374 -9.438 7.765 1.00 53.03 H new ATOM 0 HE2 PHE A 18 21.003 -7.511 8.901 1.00 72.41 H new ATOM 0 HZ PHE A 18 18.606 -7.388 8.349 1.00 12.21 H new ATOM 271 N VAL A 19 19.970 -11.547 5.212 1.00 61.12 N ATOM 272 CA VAL A 19 19.971 -10.642 4.068 1.00 21.44 C ATOM 273 C VAL A 19 19.162 -9.384 4.362 1.00 35.52 C ATOM 274 O VAL A 19 19.592 -8.272 4.062 1.00 45.00 O ATOM 275 CB VAL A 19 19.400 -11.326 2.812 1.00 52.53 C ATOM 276 CG1 VAL A 19 19.556 -10.425 1.596 1.00 5.31 C ATOM 277 CG2 VAL A 19 20.077 -12.668 2.581 1.00 32.23 C ATOM 0 H VAL A 19 19.042 -11.840 5.517 1.00 61.12 H new ATOM 0 HA VAL A 19 21.009 -10.367 3.882 1.00 21.44 H new ATOM 0 HB VAL A 19 18.336 -11.504 2.969 1.00 52.53 H new ATOM 0 HG11 VAL A 19 19.147 -10.925 0.718 1.00 5.31 H new ATOM 0 HG12 VAL A 19 19.020 -9.491 1.764 1.00 5.31 H new ATOM 0 HG13 VAL A 19 20.613 -10.213 1.433 1.00 5.31 H new ATOM 0 HG21 VAL A 19 19.661 -13.137 1.689 1.00 32.23 H new ATOM 0 HG22 VAL A 19 21.148 -12.517 2.445 1.00 32.23 H new ATOM 0 HG23 VAL A 19 19.908 -13.314 3.443 1.00 32.23 H new ATOM 287 N GLY A 20 17.984 -9.569 4.952 1.00 24.14 N ATOM 288 CA GLY A 20 17.133 -8.440 5.278 1.00 74.12 C ATOM 289 C GLY A 20 15.770 -8.869 5.784 1.00 32.13 C ATOM 290 O GLY A 20 15.449 -10.058 5.791 1.00 14.52 O ATOM 0 H GLY A 20 17.605 -10.480 5.210 1.00 24.14 H new ATOM 0 HA2 GLY A 20 17.622 -7.827 6.035 1.00 74.12 H new ATOM 0 HA3 GLY A 20 17.009 -7.815 4.394 1.00 74.12 H new ATOM 294 N ARG A 21 14.967 -7.900 6.211 1.00 11.21 N ATOM 295 CA ARG A 21 13.632 -8.184 6.725 1.00 43.14 C ATOM 296 C ARG A 21 12.581 -8.012 5.632 1.00 63.02 C ATOM 297 O ARG A 21 11.899 -6.989 5.569 1.00 43.35 O ATOM 298 CB ARG A 21 13.311 -7.266 7.905 1.00 12.32 C ATOM 299 CG ARG A 21 14.404 -7.226 8.961 1.00 55.10 C ATOM 300 CD ARG A 21 13.842 -6.879 10.331 1.00 41.51 C ATOM 301 NE ARG A 21 14.716 -7.329 11.411 1.00 40.12 N ATOM 302 CZ ARG A 21 14.503 -7.052 12.692 1.00 21.14 C ATOM 303 NH1 ARG A 21 13.451 -6.330 13.052 1.00 34.52 N ATOM 304 NH2 ARG A 21 15.344 -7.498 13.617 1.00 12.33 N ATOM 0 H ARG A 21 15.217 -6.911 6.211 1.00 11.21 H new ATOM 0 HA ARG A 21 13.613 -9.220 7.064 1.00 43.14 H new ATOM 0 HB2 ARG A 21 13.140 -6.256 7.533 1.00 12.32 H new ATOM 0 HB3 ARG A 21 12.381 -7.596 8.369 1.00 12.32 H new ATOM 0 HG2 ARG A 21 14.904 -8.194 9.006 1.00 55.10 H new ATOM 0 HG3 ARG A 21 15.158 -6.491 8.679 1.00 55.10 H new ATOM 0 HD2 ARG A 21 13.703 -5.800 10.403 1.00 41.51 H new ATOM 0 HD3 ARG A 21 12.859 -7.336 10.446 1.00 41.51 H new ATOM 0 HE ARG A 21 15.535 -7.887 11.168 1.00 40.12 H new ATOM 0 HH11 ARG A 21 12.802 -5.986 12.344 1.00 34.52 H new ATOM 0 HH12 ARG A 21 13.290 -6.119 14.037 1.00 34.52 H new ATOM 0 HH21 ARG A 21 16.154 -8.054 13.344 1.00 12.33 H new ATOM 0 HH22 ARG A 21 15.180 -7.285 14.601 1.00 12.33 H new ATOM 318 N ILE A 22 12.457 -9.019 4.774 1.00 61.10 N ATOM 319 CA ILE A 22 11.489 -8.979 3.685 1.00 63.22 C ATOM 320 C ILE A 22 10.097 -8.628 4.199 1.00 62.30 C ATOM 321 O ILE A 22 9.391 -7.816 3.603 1.00 73.02 O ATOM 322 CB ILE A 22 11.425 -10.325 2.939 1.00 33.34 C ATOM 323 CG1 ILE A 22 10.286 -10.314 1.918 1.00 15.51 C ATOM 324 CG2 ILE A 22 11.247 -11.469 3.926 1.00 34.35 C ATOM 325 CD1 ILE A 22 10.419 -11.378 0.852 1.00 73.40 C ATOM 0 H ILE A 22 13.015 -9.872 4.812 1.00 61.10 H new ATOM 0 HA ILE A 22 11.824 -8.206 2.994 1.00 63.22 H new ATOM 0 HB ILE A 22 12.364 -10.473 2.406 1.00 33.34 H new ATOM 0 HG12 ILE A 22 9.339 -10.451 2.441 1.00 15.51 H new ATOM 0 HG13 ILE A 22 10.247 -9.335 1.440 1.00 15.51 H new ATOM 0 HG21 ILE A 22 11.203 -12.414 3.384 1.00 34.35 H new ATOM 0 HG22 ILE A 22 12.089 -11.486 4.618 1.00 34.35 H new ATOM 0 HG23 ILE A 22 10.321 -11.328 4.484 1.00 34.35 H new ATOM 0 HD11 ILE A 22 9.577 -11.310 0.163 1.00 73.40 H new ATOM 0 HD12 ILE A 22 11.349 -11.229 0.303 1.00 73.40 H new ATOM 0 HD13 ILE A 22 10.427 -12.363 1.320 1.00 73.40 H new ATOM 337 N ALA A 23 9.710 -9.245 5.311 1.00 61.23 N ATOM 338 CA ALA A 23 8.404 -8.995 5.908 1.00 62.31 C ATOM 339 C ALA A 23 8.327 -7.588 6.489 1.00 13.42 C ATOM 340 O ALA A 23 7.404 -6.832 6.187 1.00 73.04 O ATOM 341 CB ALA A 23 8.109 -10.030 6.984 1.00 43.30 C ATOM 0 H ALA A 23 10.282 -9.921 5.816 1.00 61.23 H new ATOM 0 HA ALA A 23 7.651 -9.078 5.124 1.00 62.31 H new ATOM 0 HB1 ALA A 23 7.131 -9.831 7.421 1.00 43.30 H new ATOM 0 HB2 ALA A 23 8.113 -11.026 6.542 1.00 43.30 H new ATOM 0 HB3 ALA A 23 8.872 -9.975 7.761 1.00 43.30 H new ATOM 347 N GLN A 24 9.301 -7.243 7.325 1.00 31.11 N ATOM 348 CA GLN A 24 9.341 -5.926 7.949 1.00 31.05 C ATOM 349 C GLN A 24 9.273 -4.823 6.898 1.00 21.04 C ATOM 350 O GLN A 24 8.607 -3.806 7.094 1.00 71.35 O ATOM 351 CB GLN A 24 10.613 -5.773 8.785 1.00 11.02 C ATOM 352 CG GLN A 24 10.498 -4.727 9.882 1.00 10.21 C ATOM 353 CD GLN A 24 9.564 -5.152 10.998 1.00 4.24 C ATOM 354 OE1 GLN A 24 9.531 -6.321 11.384 1.00 54.22 O ATOM 355 NE2 GLN A 24 8.800 -4.202 11.525 1.00 71.32 N ATOM 0 H GLN A 24 10.073 -7.857 7.586 1.00 31.11 H new ATOM 0 HA GLN A 24 8.473 -5.834 8.601 1.00 31.05 H new ATOM 0 HB2 GLN A 24 10.859 -6.734 9.236 1.00 11.02 H new ATOM 0 HB3 GLN A 24 11.441 -5.508 8.127 1.00 11.02 H new ATOM 0 HG2 GLN A 24 11.487 -4.530 10.296 1.00 10.21 H new ATOM 0 HG3 GLN A 24 10.141 -3.792 9.451 1.00 10.21 H new ATOM 0 HE21 GLN A 24 8.860 -3.246 11.174 1.00 71.32 H new ATOM 0 HE22 GLN A 24 8.153 -4.428 12.281 1.00 71.32 H new ATOM 364 N ASP A 25 9.967 -5.031 5.785 1.00 54.24 N ATOM 365 CA ASP A 25 9.985 -4.054 4.702 1.00 73.12 C ATOM 366 C ASP A 25 8.672 -4.080 3.925 1.00 41.12 C ATOM 367 O ASP A 25 8.232 -3.059 3.395 1.00 52.12 O ATOM 368 CB ASP A 25 11.156 -4.329 3.758 1.00 61.33 C ATOM 369 CG ASP A 25 12.481 -4.419 4.489 1.00 12.05 C ATOM 370 OD1 ASP A 25 12.552 -3.956 5.647 1.00 10.33 O ATOM 371 OD2 ASP A 25 13.446 -4.953 3.905 1.00 61.21 O ATOM 0 H ASP A 25 10.524 -5.867 5.609 1.00 54.24 H new ATOM 0 HA ASP A 25 10.107 -3.064 5.141 1.00 73.12 H new ATOM 0 HB2 ASP A 25 10.976 -5.261 3.223 1.00 61.33 H new ATOM 0 HB3 ASP A 25 11.210 -3.537 3.011 1.00 61.33 H new ATOM 376 N LEU A 26 8.052 -5.253 3.860 1.00 10.11 N ATOM 377 CA LEU A 26 6.790 -5.413 3.147 1.00 55.43 C ATOM 378 C LEU A 26 5.647 -4.743 3.905 1.00 65.25 C ATOM 379 O LEU A 26 4.766 -4.130 3.304 1.00 33.33 O ATOM 380 CB LEU A 26 6.481 -6.897 2.943 1.00 54.24 C ATOM 381 CG LEU A 26 6.730 -7.447 1.538 1.00 72.20 C ATOM 382 CD1 LEU A 26 8.148 -7.136 1.087 1.00 43.14 C ATOM 383 CD2 LEU A 26 6.473 -8.947 1.499 1.00 10.45 C ATOM 0 H LEU A 26 8.403 -6.107 4.293 1.00 10.11 H new ATOM 0 HA LEU A 26 6.888 -4.932 2.174 1.00 55.43 H new ATOM 0 HB2 LEU A 26 7.080 -7.473 3.648 1.00 54.24 H new ATOM 0 HB3 LEU A 26 5.435 -7.068 3.199 1.00 54.24 H new ATOM 0 HG LEU A 26 6.037 -6.962 0.851 1.00 72.20 H new ATOM 0 HD11 LEU A 26 8.307 -7.535 0.085 1.00 43.14 H new ATOM 0 HD12 LEU A 26 8.298 -6.056 1.076 1.00 43.14 H new ATOM 0 HD13 LEU A 26 8.858 -7.593 1.776 1.00 43.14 H new ATOM 0 HD21 LEU A 26 6.655 -9.321 0.492 1.00 10.45 H new ATOM 0 HD22 LEU A 26 7.141 -9.449 2.199 1.00 10.45 H new ATOM 0 HD23 LEU A 26 5.438 -9.146 1.779 1.00 10.45 H new ATOM 395 N GLY A 27 5.672 -4.864 5.229 1.00 54.44 N ATOM 396 CA GLY A 27 4.634 -4.263 6.047 1.00 24.40 C ATOM 397 C GLY A 27 3.486 -5.215 6.317 1.00 54.21 C ATOM 398 O GLY A 27 2.318 -4.829 6.237 1.00 64.32 O ATOM 0 H GLY A 27 6.391 -5.367 5.749 1.00 54.44 H new ATOM 0 HA2 GLY A 27 5.064 -3.939 6.995 1.00 24.40 H new ATOM 0 HA3 GLY A 27 4.253 -3.371 5.549 1.00 24.40 H new ATOM 402 N LEU A 28 3.815 -6.462 6.636 1.00 13.40 N ATOM 403 CA LEU A 28 2.801 -7.472 6.917 1.00 21.41 C ATOM 404 C LEU A 28 3.107 -8.202 8.221 1.00 30.40 C ATOM 405 O LEU A 28 4.230 -8.153 8.722 1.00 72.12 O ATOM 406 CB LEU A 28 2.719 -8.475 5.765 1.00 64.21 C ATOM 407 CG LEU A 28 3.443 -8.079 4.478 1.00 50.25 C ATOM 408 CD1 LEU A 28 3.507 -9.256 3.517 1.00 23.31 C ATOM 409 CD2 LEU A 28 2.754 -6.891 3.822 1.00 14.14 C ATOM 0 H LEU A 28 4.776 -6.798 6.706 1.00 13.40 H new ATOM 0 HA LEU A 28 1.840 -6.968 7.021 1.00 21.41 H new ATOM 0 HB2 LEU A 28 3.125 -9.426 6.109 1.00 64.21 H new ATOM 0 HB3 LEU A 28 1.668 -8.643 5.530 1.00 64.21 H new ATOM 0 HG LEU A 28 4.462 -7.788 4.733 1.00 50.25 H new ATOM 0 HD11 LEU A 28 4.026 -8.955 2.607 1.00 23.31 H new ATOM 0 HD12 LEU A 28 4.045 -10.080 3.986 1.00 23.31 H new ATOM 0 HD13 LEU A 28 2.496 -9.578 3.268 1.00 23.31 H new ATOM 0 HD21 LEU A 28 3.283 -6.623 2.907 1.00 14.14 H new ATOM 0 HD22 LEU A 28 1.724 -7.155 3.581 1.00 14.14 H new ATOM 0 HD23 LEU A 28 2.761 -6.043 4.507 1.00 14.14 H new ATOM 421 N GLU A 29 2.101 -8.881 8.764 1.00 54.52 N ATOM 422 CA GLU A 29 2.263 -9.622 10.009 1.00 45.21 C ATOM 423 C GLU A 29 3.003 -10.935 9.768 1.00 52.24 C ATOM 424 O GLU A 29 2.809 -11.590 8.743 1.00 20.50 O ATOM 425 CB GLU A 29 0.900 -9.901 10.644 1.00 32.03 C ATOM 426 CG GLU A 29 0.824 -9.521 12.114 1.00 72.44 C ATOM 427 CD GLU A 29 -0.586 -9.609 12.666 1.00 4.54 C ATOM 428 OE1 GLU A 29 -1.042 -10.734 12.955 1.00 23.40 O ATOM 429 OE2 GLU A 29 -1.232 -8.550 12.811 1.00 51.34 O ATOM 0 H GLU A 29 1.165 -8.933 8.361 1.00 54.52 H new ATOM 0 HA GLU A 29 2.855 -9.011 10.691 1.00 45.21 H new ATOM 0 HB2 GLU A 29 0.134 -9.353 10.096 1.00 32.03 H new ATOM 0 HB3 GLU A 29 0.670 -10.961 10.539 1.00 32.03 H new ATOM 0 HG2 GLU A 29 1.477 -10.177 12.689 1.00 72.44 H new ATOM 0 HG3 GLU A 29 1.198 -8.505 12.243 1.00 72.44 H new ATOM 436 N LEU A 30 3.851 -11.312 10.718 1.00 61.33 N ATOM 437 CA LEU A 30 4.621 -12.547 10.610 1.00 51.34 C ATOM 438 C LEU A 30 3.698 -13.758 10.525 1.00 61.33 C ATOM 439 O LEU A 30 3.937 -14.682 9.746 1.00 50.45 O ATOM 440 CB LEU A 30 5.562 -12.691 11.807 1.00 14.22 C ATOM 441 CG LEU A 30 7.028 -12.976 11.479 1.00 75.12 C ATOM 442 CD1 LEU A 30 7.178 -14.362 10.871 1.00 4.00 C ATOM 443 CD2 LEU A 30 7.579 -11.916 10.537 1.00 42.30 C ATOM 0 H LEU A 30 4.023 -10.781 11.572 1.00 61.33 H new ATOM 0 HA LEU A 30 5.212 -12.499 9.695 1.00 51.34 H new ATOM 0 HB2 LEU A 30 5.514 -11.774 12.394 1.00 14.22 H new ATOM 0 HB3 LEU A 30 5.190 -13.495 12.441 1.00 14.22 H new ATOM 0 HG LEU A 30 7.601 -12.944 12.405 1.00 75.12 H new ATOM 0 HD11 LEU A 30 8.228 -14.548 10.644 1.00 4.00 H new ATOM 0 HD12 LEU A 30 6.822 -15.110 11.579 1.00 4.00 H new ATOM 0 HD13 LEU A 30 6.592 -14.422 9.954 1.00 4.00 H new ATOM 0 HD21 LEU A 30 8.623 -12.135 10.314 1.00 42.30 H new ATOM 0 HD22 LEU A 30 7.003 -11.917 9.612 1.00 42.30 H new ATOM 0 HD23 LEU A 30 7.506 -10.936 11.009 1.00 42.30 H new ATOM 455 N THR A 31 2.641 -13.748 11.330 1.00 34.15 N ATOM 456 CA THR A 31 1.681 -14.845 11.346 1.00 0.20 C ATOM 457 C THR A 31 0.632 -14.673 10.253 1.00 30.15 C ATOM 458 O THR A 31 -0.297 -15.473 10.142 1.00 43.44 O ATOM 459 CB THR A 31 0.973 -14.952 12.710 1.00 73.33 C ATOM 460 OG1 THR A 31 0.680 -13.644 13.214 1.00 74.52 O ATOM 461 CG2 THR A 31 1.837 -15.705 13.710 1.00 35.13 C ATOM 0 H THR A 31 2.428 -12.992 11.980 1.00 34.15 H new ATOM 0 HA THR A 31 2.244 -15.761 11.165 1.00 0.20 H new ATOM 0 HB THR A 31 0.043 -15.503 12.570 1.00 73.33 H new ATOM 0 HG1 THR A 31 0.229 -13.721 14.080 1.00 74.52 H new ATOM 0 HG21 THR A 31 1.317 -15.768 14.666 1.00 35.13 H new ATOM 0 HG22 THR A 31 2.033 -16.710 13.337 1.00 35.13 H new ATOM 0 HG23 THR A 31 2.781 -15.177 13.845 1.00 35.13 H new ATOM 469 N GLU A 32 0.787 -13.626 9.450 1.00 42.33 N ATOM 470 CA GLU A 32 -0.148 -13.350 8.366 1.00 73.34 C ATOM 471 C GLU A 32 0.359 -13.930 7.049 1.00 61.55 C ATOM 472 O GLU A 32 -0.368 -13.974 6.055 1.00 21.21 O ATOM 473 CB GLU A 32 -0.366 -11.843 8.221 1.00 54.30 C ATOM 474 CG GLU A 32 -1.510 -11.309 9.068 1.00 64.13 C ATOM 475 CD GLU A 32 -1.868 -9.875 8.728 1.00 64.42 C ATOM 476 OE1 GLU A 32 -1.060 -9.209 8.047 1.00 53.50 O ATOM 477 OE2 GLU A 32 -2.954 -9.420 9.142 1.00 21.22 O ATOM 0 H GLU A 32 1.551 -12.955 9.529 1.00 42.33 H new ATOM 0 HA GLU A 32 -1.098 -13.825 8.611 1.00 73.34 H new ATOM 0 HB2 GLU A 32 0.552 -11.323 8.496 1.00 54.30 H new ATOM 0 HB3 GLU A 32 -0.562 -11.612 7.174 1.00 54.30 H new ATOM 0 HG2 GLU A 32 -2.387 -11.941 8.928 1.00 64.13 H new ATOM 0 HG3 GLU A 32 -1.237 -11.371 10.121 1.00 64.13 H new ATOM 484 N LEU A 33 1.611 -14.374 7.048 1.00 61.40 N ATOM 485 CA LEU A 33 2.218 -14.952 5.853 1.00 14.24 C ATOM 486 C LEU A 33 1.563 -16.283 5.499 1.00 33.03 C ATOM 487 O LEU A 33 1.369 -16.599 4.325 1.00 23.03 O ATOM 488 CB LEU A 33 3.720 -15.150 6.065 1.00 53.41 C ATOM 489 CG LEU A 33 4.504 -13.913 6.505 1.00 21.10 C ATOM 490 CD1 LEU A 33 5.642 -14.306 7.435 1.00 52.32 C ATOM 491 CD2 LEU A 33 5.038 -13.161 5.294 1.00 34.14 C ATOM 0 H LEU A 33 2.226 -14.345 7.861 1.00 61.40 H new ATOM 0 HA LEU A 33 2.062 -14.260 5.025 1.00 14.24 H new ATOM 0 HB2 LEU A 33 3.861 -15.930 6.813 1.00 53.41 H new ATOM 0 HB3 LEU A 33 4.153 -15.518 5.135 1.00 53.41 H new ATOM 0 HG LEU A 33 3.829 -13.253 7.049 1.00 21.10 H new ATOM 0 HD11 LEU A 33 6.189 -13.413 7.738 1.00 52.32 H new ATOM 0 HD12 LEU A 33 5.236 -14.800 8.318 1.00 52.32 H new ATOM 0 HD13 LEU A 33 6.317 -14.987 6.916 1.00 52.32 H new ATOM 0 HD21 LEU A 33 5.593 -12.284 5.626 1.00 34.14 H new ATOM 0 HD22 LEU A 33 5.698 -13.813 4.723 1.00 34.14 H new ATOM 0 HD23 LEU A 33 4.205 -12.847 4.665 1.00 34.14 H new ATOM 503 N VAL A 34 1.221 -17.059 6.523 1.00 62.52 N ATOM 504 CA VAL A 34 0.584 -18.355 6.320 1.00 24.32 C ATOM 505 C VAL A 34 -0.650 -18.228 5.435 1.00 35.53 C ATOM 506 O VAL A 34 -0.752 -18.847 4.376 1.00 62.32 O ATOM 507 CB VAL A 34 0.178 -18.997 7.660 1.00 5.14 C ATOM 508 CG1 VAL A 34 -1.058 -19.865 7.484 1.00 11.11 C ATOM 509 CG2 VAL A 34 1.331 -19.807 8.234 1.00 64.04 C ATOM 0 H VAL A 34 1.374 -16.813 7.501 1.00 62.52 H new ATOM 0 HA VAL A 34 1.317 -18.994 5.827 1.00 24.32 H new ATOM 0 HB VAL A 34 -0.064 -18.202 8.365 1.00 5.14 H new ATOM 0 HG11 VAL A 34 -1.329 -20.310 8.441 1.00 11.11 H new ATOM 0 HG12 VAL A 34 -1.884 -19.253 7.121 1.00 11.11 H new ATOM 0 HG13 VAL A 34 -0.848 -20.655 6.763 1.00 11.11 H new ATOM 0 HG21 VAL A 34 1.026 -20.253 9.181 1.00 64.04 H new ATOM 0 HG22 VAL A 34 1.606 -20.595 7.533 1.00 64.04 H new ATOM 0 HG23 VAL A 34 2.188 -19.154 8.400 1.00 64.04 H new ATOM 519 N PRO A 35 -1.614 -17.407 5.878 1.00 43.30 N ATOM 520 CA PRO A 35 -2.860 -17.178 5.141 1.00 42.14 C ATOM 521 C PRO A 35 -2.637 -16.385 3.857 1.00 2.24 C ATOM 522 O PRO A 35 -3.500 -16.350 2.980 1.00 22.21 O ATOM 523 CB PRO A 35 -3.712 -16.373 6.125 1.00 31.52 C ATOM 524 CG PRO A 35 -2.727 -15.695 7.013 1.00 24.52 C ATOM 525 CD PRO A 35 -1.560 -16.637 7.132 1.00 11.02 C ATOM 0 HA PRO A 35 -3.322 -18.112 4.822 1.00 42.14 H new ATOM 0 HB2 PRO A 35 -4.340 -15.649 5.605 1.00 31.52 H new ATOM 0 HB3 PRO A 35 -4.378 -17.021 6.695 1.00 31.52 H new ATOM 0 HG2 PRO A 35 -2.416 -14.739 6.592 1.00 24.52 H new ATOM 0 HG3 PRO A 35 -3.162 -15.487 7.991 1.00 24.52 H new ATOM 0 HD2 PRO A 35 -0.618 -16.099 7.233 1.00 11.02 H new ATOM 0 HD3 PRO A 35 -1.653 -17.283 8.005 1.00 11.02 H new ATOM 533 N ARG A 36 -1.474 -15.749 3.755 1.00 71.35 N ATOM 534 CA ARG A 36 -1.139 -14.956 2.578 1.00 4.13 C ATOM 535 C ARG A 36 -0.443 -15.813 1.525 1.00 42.22 C ATOM 536 O ARG A 36 -0.062 -15.321 0.462 1.00 72.15 O ATOM 537 CB ARG A 36 -0.241 -13.780 2.969 1.00 71.20 C ATOM 538 CG ARG A 36 -0.989 -12.465 3.116 1.00 33.40 C ATOM 539 CD ARG A 36 -2.040 -12.542 4.213 1.00 41.12 C ATOM 540 NE ARG A 36 -3.175 -11.662 3.946 1.00 61.42 N ATOM 541 CZ ARG A 36 -4.196 -11.507 4.781 1.00 54.05 C ATOM 542 NH1 ARG A 36 -4.225 -12.168 5.929 1.00 23.33 N ATOM 543 NH2 ARG A 36 -5.192 -10.688 4.467 1.00 74.20 N ATOM 0 H ARG A 36 -0.749 -15.767 4.472 1.00 71.35 H new ATOM 0 HA ARG A 36 -2.066 -14.572 2.153 1.00 4.13 H new ATOM 0 HB2 ARG A 36 0.258 -14.012 3.910 1.00 71.20 H new ATOM 0 HB3 ARG A 36 0.538 -13.663 2.216 1.00 71.20 H new ATOM 0 HG2 ARG A 36 -0.282 -11.667 3.343 1.00 33.40 H new ATOM 0 HG3 ARG A 36 -1.467 -12.209 2.170 1.00 33.40 H new ATOM 0 HD2 ARG A 36 -2.392 -13.569 4.306 1.00 41.12 H new ATOM 0 HD3 ARG A 36 -1.588 -12.272 5.167 1.00 41.12 H new ATOM 0 HE ARG A 36 -3.184 -11.138 3.071 1.00 61.42 H new ATOM 0 HH11 ARG A 36 -3.461 -12.798 6.174 1.00 23.33 H new ATOM 0 HH12 ARG A 36 -5.011 -12.046 6.568 1.00 23.33 H new ATOM 0 HH21 ARG A 36 -5.173 -10.177 3.584 1.00 74.20 H new ATOM 0 HH22 ARG A 36 -5.976 -10.569 5.108 1.00 74.20 H new ATOM 557 N LEU A 37 -0.279 -17.096 1.827 1.00 13.13 N ATOM 558 CA LEU A 37 0.371 -18.022 0.907 1.00 63.11 C ATOM 559 C LEU A 37 1.662 -17.425 0.356 1.00 61.14 C ATOM 560 O LEU A 37 1.843 -17.325 -0.858 1.00 43.21 O ATOM 561 CB LEU A 37 -0.573 -18.376 -0.244 1.00 4.13 C ATOM 562 CG LEU A 37 -1.524 -19.547 0.005 1.00 53.33 C ATOM 563 CD1 LEU A 37 -0.744 -20.839 0.187 1.00 32.31 C ATOM 564 CD2 LEU A 37 -2.400 -19.274 1.219 1.00 3.02 C ATOM 0 H LEU A 37 -0.587 -17.519 2.702 1.00 13.13 H new ATOM 0 HA LEU A 37 0.618 -18.930 1.458 1.00 63.11 H new ATOM 0 HB2 LEU A 37 -1.168 -17.495 -0.483 1.00 4.13 H new ATOM 0 HB3 LEU A 37 0.028 -18.603 -1.124 1.00 4.13 H new ATOM 0 HG LEU A 37 -2.170 -19.657 -0.866 1.00 53.33 H new ATOM 0 HD11 LEU A 37 -1.438 -21.661 0.363 1.00 32.31 H new ATOM 0 HD12 LEU A 37 -0.161 -21.042 -0.712 1.00 32.31 H new ATOM 0 HD13 LEU A 37 -0.073 -20.742 1.040 1.00 32.31 H new ATOM 0 HD21 LEU A 37 -3.070 -20.118 1.381 1.00 3.02 H new ATOM 0 HD22 LEU A 37 -1.771 -19.136 2.098 1.00 3.02 H new ATOM 0 HD23 LEU A 37 -2.987 -18.372 1.048 1.00 3.02 H new ATOM 576 N PHE A 38 2.558 -17.032 1.255 1.00 33.03 N ATOM 577 CA PHE A 38 3.833 -16.446 0.859 1.00 30.21 C ATOM 578 C PHE A 38 4.663 -17.443 0.055 1.00 11.21 C ATOM 579 O PHE A 38 4.757 -18.618 0.411 1.00 41.34 O ATOM 580 CB PHE A 38 4.615 -15.992 2.093 1.00 22.43 C ATOM 581 CG PHE A 38 5.365 -14.707 1.889 1.00 63.35 C ATOM 582 CD1 PHE A 38 4.714 -13.488 1.979 1.00 3.32 C ATOM 583 CD2 PHE A 38 6.721 -14.719 1.605 1.00 65.13 C ATOM 584 CE1 PHE A 38 5.402 -12.303 1.792 1.00 74.23 C ATOM 585 CE2 PHE A 38 7.414 -13.538 1.417 1.00 41.03 C ATOM 586 CZ PHE A 38 6.753 -12.329 1.509 1.00 42.40 C ATOM 0 H PHE A 38 2.425 -17.109 2.263 1.00 33.03 H new ATOM 0 HA PHE A 38 3.627 -15.580 0.230 1.00 30.21 H new ATOM 0 HB2 PHE A 38 3.924 -15.871 2.927 1.00 22.43 H new ATOM 0 HB3 PHE A 38 5.320 -16.774 2.374 1.00 22.43 H new ATOM 0 HD1 PHE A 38 3.657 -13.462 2.198 1.00 3.32 H new ATOM 0 HD2 PHE A 38 7.242 -15.662 1.530 1.00 65.13 H new ATOM 0 HE1 PHE A 38 4.883 -11.359 1.867 1.00 74.23 H new ATOM 0 HE2 PHE A 38 8.471 -13.561 1.198 1.00 41.03 H new ATOM 0 HZ PHE A 38 7.292 -11.405 1.360 1.00 42.40 H new ATOM 596 N ARG A 39 5.262 -16.965 -1.031 1.00 1.35 N ATOM 597 CA ARG A 39 6.083 -17.813 -1.886 1.00 74.15 C ATOM 598 C ARG A 39 7.153 -16.992 -2.600 1.00 23.45 C ATOM 599 O ARG A 39 6.907 -15.861 -3.019 1.00 30.51 O ATOM 600 CB ARG A 39 5.209 -18.534 -2.914 1.00 54.04 C ATOM 601 CG ARG A 39 4.828 -19.948 -2.506 1.00 11.42 C ATOM 602 CD ARG A 39 6.012 -20.896 -2.612 1.00 32.10 C ATOM 603 NE ARG A 39 5.995 -21.912 -1.563 1.00 71.11 N ATOM 604 CZ ARG A 39 6.742 -23.010 -1.591 1.00 45.21 C ATOM 605 NH1 ARG A 39 7.562 -23.232 -2.609 1.00 40.14 N ATOM 606 NH2 ARG A 39 6.671 -23.888 -0.599 1.00 4.12 N ATOM 0 H ARG A 39 5.194 -15.995 -1.339 1.00 1.35 H new ATOM 0 HA ARG A 39 6.577 -18.552 -1.255 1.00 74.15 H new ATOM 0 HB2 ARG A 39 4.300 -17.954 -3.076 1.00 54.04 H new ATOM 0 HB3 ARG A 39 5.738 -18.570 -3.866 1.00 54.04 H new ATOM 0 HG2 ARG A 39 4.454 -19.944 -1.482 1.00 11.42 H new ATOM 0 HG3 ARG A 39 4.017 -20.305 -3.140 1.00 11.42 H new ATOM 0 HD2 ARG A 39 6.001 -21.382 -3.588 1.00 32.10 H new ATOM 0 HD3 ARG A 39 6.939 -20.326 -2.550 1.00 32.10 H new ATOM 0 HE ARG A 39 5.376 -21.771 -0.765 1.00 71.11 H new ATOM 0 HH11 ARG A 39 7.620 -22.559 -3.373 1.00 40.14 H new ATOM 0 HH12 ARG A 39 8.135 -24.076 -2.628 1.00 40.14 H new ATOM 0 HH21 ARG A 39 6.042 -23.720 0.186 1.00 4.12 H new ATOM 0 HH22 ARG A 39 7.245 -24.731 -0.622 1.00 4.12 H new ATOM 620 N VAL A 40 8.343 -17.570 -2.733 1.00 2.22 N ATOM 621 CA VAL A 40 9.452 -16.893 -3.395 1.00 53.22 C ATOM 622 C VAL A 40 9.665 -17.436 -4.804 1.00 13.04 C ATOM 623 O VAL A 40 9.527 -18.635 -5.045 1.00 0.21 O ATOM 624 CB VAL A 40 10.759 -17.043 -2.596 1.00 25.04 C ATOM 625 CG1 VAL A 40 11.910 -16.361 -3.320 1.00 71.02 C ATOM 626 CG2 VAL A 40 10.593 -16.479 -1.192 1.00 64.35 C ATOM 0 H VAL A 40 8.564 -18.505 -2.391 1.00 2.22 H new ATOM 0 HA VAL A 40 9.189 -15.837 -3.452 1.00 53.22 H new ATOM 0 HB VAL A 40 10.992 -18.104 -2.512 1.00 25.04 H new ATOM 0 HG11 VAL A 40 12.825 -16.478 -2.740 1.00 71.02 H new ATOM 0 HG12 VAL A 40 12.042 -16.815 -4.302 1.00 71.02 H new ATOM 0 HG13 VAL A 40 11.688 -15.300 -3.438 1.00 71.02 H new ATOM 0 HG21 VAL A 40 11.527 -16.593 -0.641 1.00 64.35 H new ATOM 0 HG22 VAL A 40 10.335 -15.422 -1.253 1.00 64.35 H new ATOM 0 HG23 VAL A 40 9.799 -17.017 -0.675 1.00 64.35 H new ATOM 636 N ALA A 41 10.002 -16.545 -5.731 1.00 31.34 N ATOM 637 CA ALA A 41 10.237 -16.936 -7.115 1.00 53.43 C ATOM 638 C ALA A 41 11.323 -16.075 -7.751 1.00 64.43 C ATOM 639 O ALA A 41 11.501 -14.913 -7.387 1.00 31.10 O ATOM 640 CB ALA A 41 8.947 -16.838 -7.917 1.00 21.31 C ATOM 0 H ALA A 41 10.118 -15.548 -5.548 1.00 31.34 H new ATOM 0 HA ALA A 41 10.579 -17.971 -7.122 1.00 53.43 H new ATOM 0 HB1 ALA A 41 9.137 -17.133 -8.949 1.00 21.31 H new ATOM 0 HB2 ALA A 41 8.197 -17.499 -7.483 1.00 21.31 H new ATOM 0 HB3 ALA A 41 8.582 -15.811 -7.894 1.00 21.31 H new ATOM 646 N SER A 42 12.048 -16.654 -8.703 1.00 65.21 N ATOM 647 CA SER A 42 13.121 -15.941 -9.387 1.00 23.52 C ATOM 648 C SER A 42 13.167 -16.317 -10.865 1.00 23.12 C ATOM 649 O SER A 42 12.683 -17.376 -11.264 1.00 60.30 O ATOM 650 CB SER A 42 14.467 -16.250 -8.728 1.00 45.44 C ATOM 651 OG SER A 42 15.478 -16.447 -9.702 1.00 71.40 O ATOM 0 H SER A 42 11.912 -17.615 -9.018 1.00 65.21 H new ATOM 0 HA SER A 42 12.922 -14.872 -9.308 1.00 23.52 H new ATOM 0 HB2 SER A 42 14.749 -15.430 -8.067 1.00 45.44 H new ATOM 0 HB3 SER A 42 14.376 -17.142 -8.108 1.00 45.44 H new ATOM 0 HG SER A 42 15.650 -15.603 -10.170 1.00 71.40 H new ATOM 657 N LYS A 43 13.754 -15.441 -11.673 1.00 54.24 N ATOM 658 CA LYS A 43 13.866 -15.678 -13.108 1.00 34.24 C ATOM 659 C LYS A 43 15.217 -16.295 -13.453 1.00 60.40 C ATOM 660 O LYS A 43 15.300 -17.216 -14.267 1.00 0.34 O ATOM 661 CB LYS A 43 13.679 -14.369 -13.878 1.00 72.32 C ATOM 662 CG LYS A 43 12.355 -14.282 -14.618 1.00 31.44 C ATOM 663 CD LYS A 43 12.074 -12.867 -15.094 1.00 62.22 C ATOM 664 CE LYS A 43 10.933 -12.834 -16.099 1.00 42.44 C ATOM 665 NZ LYS A 43 10.650 -11.450 -16.571 1.00 12.32 N ATOM 0 H LYS A 43 14.160 -14.560 -11.359 1.00 54.24 H new ATOM 0 HA LYS A 43 13.082 -16.378 -13.398 1.00 34.24 H new ATOM 0 HB2 LYS A 43 13.752 -13.534 -13.181 1.00 72.32 H new ATOM 0 HB3 LYS A 43 14.494 -14.259 -14.594 1.00 72.32 H new ATOM 0 HG2 LYS A 43 12.370 -14.958 -15.473 1.00 31.44 H new ATOM 0 HG3 LYS A 43 11.549 -14.613 -13.963 1.00 31.44 H new ATOM 0 HD2 LYS A 43 11.826 -12.237 -14.240 1.00 62.22 H new ATOM 0 HD3 LYS A 43 12.973 -12.449 -15.548 1.00 62.22 H new ATOM 0 HE2 LYS A 43 11.182 -13.465 -16.952 1.00 42.44 H new ATOM 0 HE3 LYS A 43 10.036 -13.253 -15.644 1.00 42.44 H new ATOM 0 HZ1 LYS A 43 9.866 -11.470 -17.254 1.00 12.32 H new ATOM 0 HZ2 LYS A 43 10.388 -10.854 -15.760 1.00 12.32 H new ATOM 0 HZ3 LYS A 43 11.498 -11.059 -17.028 1.00 12.32 H new ATOM 679 N ASP A 44 16.272 -15.784 -12.829 1.00 64.20 N ATOM 680 CA ASP A 44 17.620 -16.287 -13.069 1.00 21.24 C ATOM 681 C ASP A 44 17.672 -17.803 -12.904 1.00 13.15 C ATOM 682 O ASP A 44 17.741 -18.542 -13.886 1.00 31.14 O ATOM 683 CB ASP A 44 18.613 -15.624 -12.113 1.00 14.43 C ATOM 684 CG ASP A 44 18.742 -14.133 -12.356 1.00 0.23 C ATOM 685 OD1 ASP A 44 18.113 -13.631 -13.311 1.00 25.02 O ATOM 686 OD2 ASP A 44 19.473 -13.468 -11.591 1.00 55.23 O ATOM 0 H ASP A 44 16.220 -15.022 -12.153 1.00 64.20 H new ATOM 0 HA ASP A 44 17.895 -16.041 -14.095 1.00 21.24 H new ATOM 0 HB2 ASP A 44 18.293 -15.795 -11.085 1.00 14.43 H new ATOM 0 HB3 ASP A 44 19.590 -16.094 -12.225 1.00 14.43 H new ATOM 691 N ARG A 45 17.639 -18.259 -11.656 1.00 14.45 N ATOM 692 CA ARG A 45 17.684 -19.686 -11.362 1.00 0.11 C ATOM 693 C ARG A 45 16.399 -20.141 -10.676 1.00 3.01 C ATOM 694 O ARG A 45 16.093 -21.332 -10.637 1.00 14.34 O ATOM 695 CB ARG A 45 18.889 -20.008 -10.477 1.00 23.05 C ATOM 696 CG ARG A 45 20.088 -20.534 -11.248 1.00 65.20 C ATOM 697 CD ARG A 45 20.589 -19.517 -12.262 1.00 13.13 C ATOM 698 NE ARG A 45 21.636 -20.067 -13.118 1.00 3.02 N ATOM 699 CZ ARG A 45 22.153 -19.419 -14.156 1.00 2.55 C ATOM 700 NH1 ARG A 45 21.722 -18.203 -14.464 1.00 31.32 N ATOM 701 NH2 ARG A 45 23.104 -19.986 -14.887 1.00 50.41 N ATOM 0 H ARG A 45 17.581 -17.660 -10.832 1.00 14.45 H new ATOM 0 HA ARG A 45 17.781 -20.223 -12.306 1.00 0.11 H new ATOM 0 HB2 ARG A 45 19.182 -19.108 -9.936 1.00 23.05 H new ATOM 0 HB3 ARG A 45 18.595 -20.747 -9.732 1.00 23.05 H new ATOM 0 HG2 ARG A 45 20.890 -20.781 -10.552 1.00 65.20 H new ATOM 0 HG3 ARG A 45 19.816 -21.457 -11.761 1.00 65.20 H new ATOM 0 HD2 ARG A 45 19.756 -19.180 -12.879 1.00 13.13 H new ATOM 0 HD3 ARG A 45 20.972 -18.641 -11.738 1.00 13.13 H new ATOM 0 HE ARG A 45 21.990 -21.000 -12.907 1.00 3.02 H new ATOM 0 HH11 ARG A 45 20.992 -17.763 -13.903 1.00 31.32 H new ATOM 0 HH12 ARG A 45 22.121 -17.707 -15.261 1.00 31.32 H new ATOM 0 HH21 ARG A 45 23.439 -20.920 -14.652 1.00 50.41 H new ATOM 0 HH22 ARG A 45 23.500 -19.488 -15.684 1.00 50.41 H new ATOM 715 N GLY A 46 15.652 -19.183 -10.135 1.00 73.34 N ATOM 716 CA GLY A 46 14.410 -19.506 -9.458 1.00 15.54 C ATOM 717 C GLY A 46 14.613 -19.804 -7.985 1.00 71.25 C ATOM 718 O GLY A 46 13.652 -19.854 -7.217 1.00 5.12 O ATOM 0 H GLY A 46 15.885 -18.190 -10.154 1.00 73.34 H new ATOM 0 HA2 GLY A 46 13.715 -18.674 -9.565 1.00 15.54 H new ATOM 0 HA3 GLY A 46 13.951 -20.369 -9.940 1.00 15.54 H new ATOM 722 N ASP A 47 15.866 -20.005 -7.592 1.00 34.11 N ATOM 723 CA ASP A 47 16.192 -20.301 -6.202 1.00 21.32 C ATOM 724 C ASP A 47 17.400 -19.491 -5.743 1.00 2.32 C ATOM 725 O ASP A 47 18.466 -20.045 -5.471 1.00 2.12 O ATOM 726 CB ASP A 47 16.469 -21.795 -6.028 1.00 31.42 C ATOM 727 CG ASP A 47 15.203 -22.595 -5.793 1.00 74.33 C ATOM 728 OD1 ASP A 47 14.430 -22.229 -4.884 1.00 13.32 O ATOM 729 OD2 ASP A 47 14.985 -23.588 -6.519 1.00 32.52 O ATOM 0 H ASP A 47 16.672 -19.968 -8.216 1.00 34.11 H new ATOM 0 HA ASP A 47 15.336 -20.024 -5.587 1.00 21.32 H new ATOM 0 HB2 ASP A 47 16.975 -22.174 -6.916 1.00 31.42 H new ATOM 0 HB3 ASP A 47 17.148 -21.940 -5.188 1.00 31.42 H new ATOM 734 N LEU A 48 17.227 -18.176 -5.660 1.00 22.33 N ATOM 735 CA LEU A 48 18.304 -17.288 -5.235 1.00 34.25 C ATOM 736 C LEU A 48 18.261 -17.064 -3.726 1.00 54.55 C ATOM 737 O LEU A 48 19.290 -17.106 -3.052 1.00 5.20 O ATOM 738 CB LEU A 48 18.204 -15.948 -5.964 1.00 53.44 C ATOM 739 CG LEU A 48 18.019 -16.021 -7.481 1.00 2.04 C ATOM 740 CD1 LEU A 48 17.323 -14.771 -7.995 1.00 10.53 C ATOM 741 CD2 LEU A 48 19.361 -16.209 -8.173 1.00 24.13 C ATOM 0 H LEU A 48 16.352 -17.701 -5.881 1.00 22.33 H new ATOM 0 HA LEU A 48 19.253 -17.761 -5.487 1.00 34.25 H new ATOM 0 HB2 LEU A 48 17.368 -15.389 -5.543 1.00 53.44 H new ATOM 0 HB3 LEU A 48 19.108 -15.375 -5.755 1.00 53.44 H new ATOM 0 HG LEU A 48 17.391 -16.882 -7.710 1.00 2.04 H new ATOM 0 HD11 LEU A 48 17.200 -14.841 -9.076 1.00 10.53 H new ATOM 0 HD12 LEU A 48 16.344 -14.680 -7.524 1.00 10.53 H new ATOM 0 HD13 LEU A 48 17.925 -13.895 -7.754 1.00 10.53 H new ATOM 0 HD21 LEU A 48 19.210 -16.259 -9.251 1.00 24.13 H new ATOM 0 HD22 LEU A 48 20.013 -15.369 -7.936 1.00 24.13 H new ATOM 0 HD23 LEU A 48 19.822 -17.135 -7.828 1.00 24.13 H new ATOM 753 N LEU A 49 17.063 -16.827 -3.203 1.00 10.31 N ATOM 754 CA LEU A 49 16.885 -16.598 -1.773 1.00 53.42 C ATOM 755 C LEU A 49 15.488 -17.017 -1.325 1.00 4.24 C ATOM 756 O LEU A 49 14.537 -16.972 -2.103 1.00 71.25 O ATOM 757 CB LEU A 49 17.119 -15.123 -1.440 1.00 33.22 C ATOM 758 CG LEU A 49 18.578 -14.670 -1.388 1.00 22.32 C ATOM 759 CD1 LEU A 49 19.049 -14.227 -2.764 1.00 50.02 C ATOM 760 CD2 LEU A 49 18.752 -13.548 -0.375 1.00 45.43 C ATOM 0 H LEU A 49 16.201 -16.788 -3.747 1.00 10.31 H new ATOM 0 HA LEU A 49 17.616 -17.205 -1.238 1.00 53.42 H new ATOM 0 HB2 LEU A 49 16.597 -14.517 -2.181 1.00 33.22 H new ATOM 0 HB3 LEU A 49 16.659 -14.912 -0.475 1.00 33.22 H new ATOM 0 HG LEU A 49 19.190 -15.515 -1.073 1.00 22.32 H new ATOM 0 HD11 LEU A 49 20.090 -13.908 -2.707 1.00 50.02 H new ATOM 0 HD12 LEU A 49 18.962 -15.058 -3.463 1.00 50.02 H new ATOM 0 HD13 LEU A 49 18.433 -13.396 -3.109 1.00 50.02 H new ATOM 0 HD21 LEU A 49 19.797 -13.238 -0.351 1.00 45.43 H new ATOM 0 HD22 LEU A 49 18.128 -12.701 -0.660 1.00 45.43 H new ATOM 0 HD23 LEU A 49 18.456 -13.901 0.613 1.00 45.43 H new ATOM 772 N GLU A 50 15.374 -17.422 -0.063 1.00 41.35 N ATOM 773 CA GLU A 50 14.093 -17.847 0.488 1.00 23.14 C ATOM 774 C GLU A 50 13.845 -17.200 1.848 1.00 54.33 C ATOM 775 O GLU A 50 14.770 -17.013 2.638 1.00 61.12 O ATOM 776 CB GLU A 50 14.051 -19.371 0.622 1.00 50.23 C ATOM 777 CG GLU A 50 13.446 -20.071 -0.584 1.00 0.42 C ATOM 778 CD GLU A 50 13.268 -21.561 -0.365 1.00 1.51 C ATOM 779 OE1 GLU A 50 12.946 -21.958 0.775 1.00 43.23 O ATOM 780 OE2 GLU A 50 13.451 -22.329 -1.332 1.00 54.20 O ATOM 0 H GLU A 50 16.152 -17.464 0.595 1.00 41.35 H new ATOM 0 HA GLU A 50 13.308 -17.527 -0.197 1.00 23.14 H new ATOM 0 HB2 GLU A 50 15.064 -19.742 0.777 1.00 50.23 H new ATOM 0 HB3 GLU A 50 13.476 -19.634 1.510 1.00 50.23 H new ATOM 0 HG2 GLU A 50 12.479 -19.623 -0.812 1.00 0.42 H new ATOM 0 HG3 GLU A 50 14.085 -19.909 -1.452 1.00 0.42 H new ATOM 787 N VAL A 51 12.588 -16.858 2.113 1.00 75.40 N ATOM 788 CA VAL A 51 12.216 -16.232 3.376 1.00 34.31 C ATOM 789 C VAL A 51 11.766 -17.274 4.394 1.00 21.04 C ATOM 790 O VAL A 51 11.128 -18.265 4.043 1.00 72.11 O ATOM 791 CB VAL A 51 11.088 -15.201 3.181 1.00 61.30 C ATOM 792 CG1 VAL A 51 9.907 -15.832 2.459 1.00 12.33 C ATOM 793 CG2 VAL A 51 10.658 -14.623 4.521 1.00 41.35 C ATOM 0 H VAL A 51 11.810 -17.004 1.470 1.00 75.40 H new ATOM 0 HA VAL A 51 13.104 -15.722 3.750 1.00 34.31 H new ATOM 0 HB VAL A 51 11.466 -14.386 2.564 1.00 61.30 H new ATOM 0 HG11 VAL A 51 9.120 -15.089 2.330 1.00 12.33 H new ATOM 0 HG12 VAL A 51 10.229 -16.193 1.482 1.00 12.33 H new ATOM 0 HG13 VAL A 51 9.525 -16.667 3.047 1.00 12.33 H new ATOM 0 HG21 VAL A 51 9.861 -13.896 4.365 1.00 41.35 H new ATOM 0 HG22 VAL A 51 10.297 -15.425 5.164 1.00 41.35 H new ATOM 0 HG23 VAL A 51 11.508 -14.132 4.995 1.00 41.35 H new ATOM 803 N ASN A 52 12.104 -17.042 5.659 1.00 53.32 N ATOM 804 CA ASN A 52 11.735 -17.960 6.730 1.00 75.54 C ATOM 805 C ASN A 52 10.519 -17.444 7.494 1.00 23.52 C ATOM 806 O ASN A 52 10.582 -16.406 8.153 1.00 13.41 O ATOM 807 CB ASN A 52 12.910 -18.156 7.690 1.00 73.35 C ATOM 808 CG ASN A 52 12.587 -19.127 8.809 1.00 75.44 C ATOM 809 OD1 ASN A 52 11.518 -19.738 8.826 1.00 32.20 O ATOM 810 ND2 ASN A 52 13.511 -19.274 9.750 1.00 4.11 N ATOM 0 H ASN A 52 12.633 -16.226 5.967 1.00 53.32 H new ATOM 0 HA ASN A 52 11.479 -18.919 6.280 1.00 75.54 H new ATOM 0 HB2 ASN A 52 13.773 -18.521 7.134 1.00 73.35 H new ATOM 0 HB3 ASN A 52 13.191 -17.193 8.118 1.00 73.35 H new ATOM 0 HD21 ASN A 52 13.350 -19.914 10.528 1.00 4.11 H new ATOM 0 HD22 ASN A 52 14.383 -18.747 9.696 1.00 4.11 H new ATOM 817 N LEU A 53 9.415 -18.177 7.403 1.00 71.04 N ATOM 818 CA LEU A 53 8.184 -17.795 8.086 1.00 3.33 C ATOM 819 C LEU A 53 8.390 -17.755 9.597 1.00 23.31 C ATOM 820 O LEU A 53 7.585 -17.179 10.328 1.00 73.25 O ATOM 821 CB LEU A 53 7.060 -18.772 7.739 1.00 52.23 C ATOM 822 CG LEU A 53 6.532 -18.706 6.305 1.00 4.30 C ATOM 823 CD1 LEU A 53 5.390 -19.691 6.110 1.00 2.35 C ATOM 824 CD2 LEU A 53 6.083 -17.292 5.967 1.00 41.33 C ATOM 0 H LEU A 53 9.347 -19.040 6.863 1.00 71.04 H new ATOM 0 HA LEU A 53 7.906 -16.797 7.749 1.00 3.33 H new ATOM 0 HB2 LEU A 53 7.415 -19.785 7.928 1.00 52.23 H new ATOM 0 HB3 LEU A 53 6.228 -18.594 8.420 1.00 52.23 H new ATOM 0 HG LEU A 53 7.341 -18.981 5.628 1.00 4.30 H new ATOM 0 HD11 LEU A 53 5.028 -19.629 5.084 1.00 2.35 H new ATOM 0 HD12 LEU A 53 5.744 -20.702 6.310 1.00 2.35 H new ATOM 0 HD13 LEU A 53 4.579 -19.448 6.796 1.00 2.35 H new ATOM 0 HD21 LEU A 53 5.710 -17.264 4.943 1.00 41.33 H new ATOM 0 HD22 LEU A 53 5.290 -16.989 6.650 1.00 41.33 H new ATOM 0 HD23 LEU A 53 6.927 -16.609 6.065 1.00 41.33 H new ATOM 836 N GLN A 54 9.475 -18.370 10.057 1.00 2.24 N ATOM 837 CA GLN A 54 9.787 -18.403 11.481 1.00 25.23 C ATOM 838 C GLN A 54 9.752 -17.001 12.079 1.00 4.42 C ATOM 839 O GLN A 54 9.130 -16.773 13.115 1.00 13.44 O ATOM 840 CB GLN A 54 11.163 -19.033 11.709 1.00 73.22 C ATOM 841 CG GLN A 54 11.444 -19.370 13.164 1.00 23.21 C ATOM 842 CD GLN A 54 11.024 -20.780 13.529 1.00 61.45 C ATOM 843 OE1 GLN A 54 9.868 -21.162 13.347 1.00 34.42 O ATOM 844 NE2 GLN A 54 11.964 -21.563 14.046 1.00 73.44 N ATOM 0 H GLN A 54 10.152 -18.852 9.465 1.00 2.24 H new ATOM 0 HA GLN A 54 9.030 -19.009 11.979 1.00 25.23 H new ATOM 0 HB2 GLN A 54 11.240 -19.942 11.113 1.00 73.22 H new ATOM 0 HB3 GLN A 54 11.931 -18.349 11.348 1.00 73.22 H new ATOM 0 HG2 GLN A 54 12.509 -19.250 13.361 1.00 23.21 H new ATOM 0 HG3 GLN A 54 10.919 -18.661 13.805 1.00 23.21 H new ATOM 0 HE21 GLN A 54 12.910 -21.205 14.179 1.00 73.44 H new ATOM 0 HE22 GLN A 54 11.740 -22.523 14.310 1.00 73.44 H new ATOM 853 N ASN A 55 10.426 -16.064 11.419 1.00 71.21 N ATOM 854 CA ASN A 55 10.472 -14.683 11.886 1.00 25.42 C ATOM 855 C ASN A 55 10.450 -13.710 10.711 1.00 33.52 C ATOM 856 O ASN A 55 10.891 -12.568 10.829 1.00 32.10 O ATOM 857 CB ASN A 55 11.727 -14.451 12.731 1.00 33.01 C ATOM 858 CG ASN A 55 11.530 -13.366 13.772 1.00 34.34 C ATOM 859 OD1 ASN A 55 10.615 -13.437 14.594 1.00 61.54 O ATOM 860 ND2 ASN A 55 12.389 -12.354 13.742 1.00 21.55 N ATOM 0 H ASN A 55 10.948 -16.236 10.559 1.00 71.21 H new ATOM 0 HA ASN A 55 9.589 -14.503 12.500 1.00 25.42 H new ATOM 0 HB2 ASN A 55 12.005 -15.381 13.227 1.00 33.01 H new ATOM 0 HB3 ASN A 55 12.556 -14.178 12.078 1.00 33.01 H new ATOM 0 HD21 ASN A 55 12.306 -11.594 14.418 1.00 21.55 H new ATOM 0 HD22 ASN A 55 13.132 -12.336 13.043 1.00 21.55 H new ATOM 867 N GLY A 56 9.931 -14.172 9.577 1.00 24.32 N ATOM 868 CA GLY A 56 9.860 -13.331 8.397 1.00 2.42 C ATOM 869 C GLY A 56 11.214 -12.781 7.995 1.00 42.15 C ATOM 870 O GLY A 56 11.307 -11.684 7.443 1.00 71.14 O ATOM 0 H GLY A 56 9.559 -15.114 9.455 1.00 24.32 H new ATOM 0 HA2 GLY A 56 9.444 -13.906 7.569 1.00 2.42 H new ATOM 0 HA3 GLY A 56 9.176 -12.503 8.585 1.00 2.42 H new ATOM 874 N ILE A 57 12.267 -13.543 8.272 1.00 13.02 N ATOM 875 CA ILE A 57 13.622 -13.125 7.936 1.00 71.14 C ATOM 876 C ILE A 57 14.053 -13.691 6.587 1.00 54.14 C ATOM 877 O ILE A 57 13.636 -14.783 6.197 1.00 1.23 O ATOM 878 CB ILE A 57 14.631 -13.568 9.011 1.00 22.13 C ATOM 879 CG1 ILE A 57 16.005 -12.953 8.737 1.00 60.02 C ATOM 880 CG2 ILE A 57 14.724 -15.086 9.057 1.00 11.14 C ATOM 881 CD1 ILE A 57 15.989 -11.442 8.676 1.00 2.31 C ATOM 0 H ILE A 57 12.207 -14.453 8.728 1.00 13.02 H new ATOM 0 HA ILE A 57 13.613 -12.036 7.885 1.00 71.14 H new ATOM 0 HB ILE A 57 14.283 -13.215 9.982 1.00 22.13 H new ATOM 0 HG12 ILE A 57 16.698 -13.270 9.517 1.00 60.02 H new ATOM 0 HG13 ILE A 57 16.387 -13.343 7.793 1.00 60.02 H new ATOM 0 HG21 ILE A 57 15.441 -15.384 9.822 1.00 11.14 H new ATOM 0 HG22 ILE A 57 13.746 -15.503 9.295 1.00 11.14 H new ATOM 0 HG23 ILE A 57 15.052 -15.460 8.087 1.00 11.14 H new ATOM 0 HD11 ILE A 57 16.996 -11.075 8.479 1.00 2.31 H new ATOM 0 HD12 ILE A 57 15.322 -11.117 7.878 1.00 2.31 H new ATOM 0 HD13 ILE A 57 15.638 -11.043 9.628 1.00 2.31 H new ATOM 893 N LEU A 58 14.890 -12.942 5.878 1.00 62.33 N ATOM 894 CA LEU A 58 15.380 -13.370 4.572 1.00 42.43 C ATOM 895 C LEU A 58 16.749 -14.031 4.693 1.00 22.15 C ATOM 896 O LEU A 58 17.708 -13.417 5.162 1.00 51.44 O ATOM 897 CB LEU A 58 15.461 -12.175 3.620 1.00 62.14 C ATOM 898 CG LEU A 58 14.995 -12.427 2.185 1.00 32.14 C ATOM 899 CD1 LEU A 58 15.914 -13.420 1.492 1.00 45.13 C ATOM 900 CD2 LEU A 58 13.558 -12.929 2.172 1.00 2.21 C ATOM 0 H LEU A 58 15.244 -12.036 6.185 1.00 62.33 H new ATOM 0 HA LEU A 58 14.679 -14.101 4.170 1.00 42.43 H new ATOM 0 HB2 LEU A 58 14.865 -11.363 4.037 1.00 62.14 H new ATOM 0 HB3 LEU A 58 16.494 -11.829 3.590 1.00 62.14 H new ATOM 0 HG LEU A 58 15.035 -11.484 1.639 1.00 32.14 H new ATOM 0 HD11 LEU A 58 15.567 -13.587 0.472 1.00 45.13 H new ATOM 0 HD12 LEU A 58 16.929 -13.022 1.469 1.00 45.13 H new ATOM 0 HD13 LEU A 58 15.907 -14.364 2.037 1.00 45.13 H new ATOM 0 HD21 LEU A 58 13.243 -13.103 1.143 1.00 2.21 H new ATOM 0 HD22 LEU A 58 13.493 -13.861 2.734 1.00 2.21 H new ATOM 0 HD23 LEU A 58 12.908 -12.183 2.629 1.00 2.21 H new ATOM 912 N PHE A 59 16.834 -15.287 4.267 1.00 13.02 N ATOM 913 CA PHE A 59 18.086 -16.032 4.327 1.00 11.01 C ATOM 914 C PHE A 59 18.573 -16.391 2.926 1.00 35.43 C ATOM 915 O PHE A 59 17.775 -16.697 2.039 1.00 4.12 O ATOM 916 CB PHE A 59 17.908 -17.304 5.159 1.00 0.54 C ATOM 917 CG PHE A 59 16.831 -18.213 4.642 1.00 54.03 C ATOM 918 CD1 PHE A 59 17.089 -19.096 3.606 1.00 43.45 C ATOM 919 CD2 PHE A 59 15.559 -18.185 5.191 1.00 12.20 C ATOM 920 CE1 PHE A 59 16.100 -19.934 3.127 1.00 62.20 C ATOM 921 CE2 PHE A 59 14.566 -19.021 4.717 1.00 70.20 C ATOM 922 CZ PHE A 59 14.837 -19.896 3.683 1.00 74.11 C ATOM 0 H PHE A 59 16.050 -15.810 3.876 1.00 13.02 H new ATOM 0 HA PHE A 59 18.835 -15.398 4.801 1.00 11.01 H new ATOM 0 HB2 PHE A 59 18.852 -17.849 5.182 1.00 0.54 H new ATOM 0 HB3 PHE A 59 17.675 -17.026 6.187 1.00 0.54 H new ATOM 0 HD1 PHE A 59 18.075 -19.130 3.167 1.00 43.45 H new ATOM 0 HD2 PHE A 59 15.341 -17.502 5.999 1.00 12.20 H new ATOM 0 HE1 PHE A 59 16.315 -20.618 2.319 1.00 62.20 H new ATOM 0 HE2 PHE A 59 13.579 -18.990 5.155 1.00 70.20 H new ATOM 0 HZ PHE A 59 14.062 -20.549 3.310 1.00 74.11 H new ATOM 932 N VAL A 60 19.887 -16.352 2.735 1.00 64.02 N ATOM 933 CA VAL A 60 20.482 -16.674 1.443 1.00 53.21 C ATOM 934 C VAL A 60 20.185 -18.115 1.045 1.00 22.43 C ATOM 935 O VAL A 60 20.131 -19.005 1.893 1.00 14.02 O ATOM 936 CB VAL A 60 22.007 -16.460 1.458 1.00 21.51 C ATOM 937 CG1 VAL A 60 22.590 -16.676 0.070 1.00 25.31 C ATOM 938 CG2 VAL A 60 22.345 -15.071 1.977 1.00 21.14 C ATOM 0 H VAL A 60 20.561 -16.101 3.458 1.00 64.02 H new ATOM 0 HA VAL A 60 20.036 -15.999 0.712 1.00 53.21 H new ATOM 0 HB VAL A 60 22.453 -17.192 2.131 1.00 21.51 H new ATOM 0 HG11 VAL A 60 23.668 -16.520 0.100 1.00 25.31 H new ATOM 0 HG12 VAL A 60 22.379 -17.694 -0.259 1.00 25.31 H new ATOM 0 HG13 VAL A 60 22.141 -15.969 -0.627 1.00 25.31 H new ATOM 0 HG21 VAL A 60 23.427 -14.937 1.981 1.00 21.14 H new ATOM 0 HG22 VAL A 60 21.889 -14.320 1.332 1.00 21.14 H new ATOM 0 HG23 VAL A 60 21.962 -14.958 2.991 1.00 21.14 H new ATOM 948 N ASN A 61 19.995 -18.339 -0.251 1.00 13.30 N ATOM 949 CA ASN A 61 19.704 -19.673 -0.762 1.00 35.20 C ATOM 950 C ASN A 61 20.267 -19.852 -2.168 1.00 63.33 C ATOM 951 O ASN A 61 19.565 -20.292 -3.078 1.00 53.25 O ATOM 952 CB ASN A 61 18.194 -19.921 -0.770 1.00 54.44 C ATOM 953 CG ASN A 61 17.844 -21.370 -0.495 1.00 73.33 C ATOM 954 OD1 ASN A 61 17.270 -22.054 -1.343 1.00 53.44 O ATOM 955 ND2 ASN A 61 18.189 -21.846 0.695 1.00 31.44 N ATOM 0 H ASN A 61 20.037 -17.613 -0.967 1.00 13.30 H new ATOM 0 HA ASN A 61 20.181 -20.399 -0.104 1.00 35.20 H new ATOM 0 HB2 ASN A 61 17.721 -19.287 -0.020 1.00 54.44 H new ATOM 0 HB3 ASN A 61 17.786 -19.629 -1.738 1.00 54.44 H new ATOM 0 HD21 ASN A 61 17.980 -22.814 0.937 1.00 31.44 H new ATOM 0 HD22 ASN A 61 18.663 -21.243 1.367 1.00 31.44 H new ATOM 962 N SER A 62 21.540 -19.509 -2.338 1.00 22.12 N ATOM 963 CA SER A 62 22.198 -19.629 -3.634 1.00 1.34 C ATOM 964 C SER A 62 23.663 -19.215 -3.539 1.00 45.31 C ATOM 965 O SER A 62 24.081 -18.587 -2.566 1.00 21.33 O ATOM 966 CB SER A 62 21.480 -18.769 -4.675 1.00 54.13 C ATOM 967 OG SER A 62 22.196 -18.744 -5.898 1.00 1.23 O ATOM 0 H SER A 62 22.136 -19.146 -1.594 1.00 22.12 H new ATOM 0 HA SER A 62 22.153 -20.674 -3.942 1.00 1.34 H new ATOM 0 HB2 SER A 62 20.477 -19.160 -4.845 1.00 54.13 H new ATOM 0 HB3 SER A 62 21.366 -17.753 -4.296 1.00 54.13 H new ATOM 0 HG SER A 62 21.715 -18.189 -6.547 1.00 1.23 H new ATOM 973 N ARG A 63 24.439 -19.571 -4.558 1.00 2.22 N ATOM 974 CA ARG A 63 25.858 -19.238 -4.590 1.00 63.22 C ATOM 975 C ARG A 63 26.061 -17.735 -4.758 1.00 73.10 C ATOM 976 O ARG A 63 25.541 -17.130 -5.696 1.00 64.14 O ATOM 977 CB ARG A 63 26.554 -19.987 -5.728 1.00 72.52 C ATOM 978 CG ARG A 63 25.913 -19.761 -7.088 1.00 33.13 C ATOM 979 CD ARG A 63 25.859 -21.046 -7.899 1.00 34.10 C ATOM 980 NE ARG A 63 25.667 -20.786 -9.323 1.00 65.54 N ATOM 981 CZ ARG A 63 24.527 -20.347 -9.844 1.00 31.52 C ATOM 982 NH1 ARG A 63 23.481 -20.120 -9.061 1.00 3.11 N ATOM 983 NH2 ARG A 63 24.431 -20.135 -11.150 1.00 53.30 N ATOM 0 H ARG A 63 24.109 -20.090 -5.372 1.00 2.22 H new ATOM 0 HA ARG A 63 26.298 -19.543 -3.640 1.00 63.22 H new ATOM 0 HB2 ARG A 63 27.598 -19.676 -5.772 1.00 72.52 H new ATOM 0 HB3 ARG A 63 26.549 -21.054 -5.506 1.00 72.52 H new ATOM 0 HG2 ARG A 63 24.904 -19.371 -6.955 1.00 33.13 H new ATOM 0 HG3 ARG A 63 26.477 -19.007 -7.637 1.00 33.13 H new ATOM 0 HD2 ARG A 63 26.783 -21.605 -7.754 1.00 34.10 H new ATOM 0 HD3 ARG A 63 25.046 -21.673 -7.532 1.00 34.10 H new ATOM 0 HE ARG A 63 26.452 -20.951 -9.953 1.00 65.54 H new ATOM 0 HH11 ARG A 63 23.551 -20.283 -8.056 1.00 3.11 H new ATOM 0 HH12 ARG A 63 22.606 -19.783 -9.463 1.00 3.11 H new ATOM 0 HH21 ARG A 63 25.233 -20.309 -11.755 1.00 53.30 H new ATOM 0 HH22 ARG A 63 23.555 -19.798 -11.549 1.00 53.30 H new ATOM 997 N ILE A 64 26.817 -17.139 -3.843 1.00 25.43 N ATOM 998 CA ILE A 64 27.089 -15.708 -3.890 1.00 75.01 C ATOM 999 C ILE A 64 28.533 -15.435 -4.294 1.00 64.20 C ATOM 1000 O ILE A 64 28.872 -14.331 -4.721 1.00 14.15 O ATOM 1001 CB ILE A 64 26.812 -15.037 -2.532 1.00 34.33 C ATOM 1002 CG1 ILE A 64 25.466 -15.504 -1.973 1.00 20.13 C ATOM 1003 CG2 ILE A 64 26.836 -13.523 -2.674 1.00 55.21 C ATOM 1004 CD1 ILE A 64 24.300 -15.233 -2.898 1.00 5.21 C ATOM 0 H ILE A 64 27.253 -17.625 -3.059 1.00 25.43 H new ATOM 0 HA ILE A 64 26.419 -15.285 -4.638 1.00 75.01 H new ATOM 0 HB ILE A 64 27.596 -15.329 -1.833 1.00 34.33 H new ATOM 0 HG12 ILE A 64 25.517 -16.574 -1.770 1.00 20.13 H new ATOM 0 HG13 ILE A 64 25.286 -15.007 -1.020 1.00 20.13 H new ATOM 0 HG21 ILE A 64 26.638 -13.064 -1.706 1.00 55.21 H new ATOM 0 HG22 ILE A 64 27.815 -13.207 -3.033 1.00 55.21 H new ATOM 0 HG23 ILE A 64 26.071 -13.212 -3.386 1.00 55.21 H new ATOM 0 HD11 ILE A 64 23.379 -15.590 -2.437 1.00 5.21 H new ATOM 0 HD12 ILE A 64 24.222 -14.161 -3.081 1.00 5.21 H new ATOM 0 HD13 ILE A 64 24.457 -15.752 -3.843 1.00 5.21 H new ATOM 1016 N ASP A 65 29.381 -16.449 -4.158 1.00 42.14 N ATOM 1017 CA ASP A 65 30.790 -16.320 -4.512 1.00 40.11 C ATOM 1018 C ASP A 65 30.949 -15.672 -5.884 1.00 12.11 C ATOM 1019 O ASP A 65 30.229 -16.005 -6.826 1.00 23.13 O ATOM 1020 CB ASP A 65 31.468 -17.691 -4.500 1.00 44.32 C ATOM 1021 CG ASP A 65 32.825 -17.659 -3.825 1.00 22.44 C ATOM 1022 OD1 ASP A 65 33.578 -16.688 -4.049 1.00 71.20 O ATOM 1023 OD2 ASP A 65 33.134 -18.606 -3.071 1.00 1.42 O ATOM 0 H ASP A 65 29.117 -17.369 -3.805 1.00 42.14 H new ATOM 0 HA ASP A 65 31.268 -15.680 -3.771 1.00 40.11 H new ATOM 0 HB2 ASP A 65 30.826 -18.406 -3.986 1.00 44.32 H new ATOM 0 HB3 ASP A 65 31.583 -18.045 -5.524 1.00 44.32 H new ATOM 1028 N ARG A 66 31.895 -14.744 -5.989 1.00 34.15 N ATOM 1029 CA ARG A 66 32.146 -14.048 -7.244 1.00 41.35 C ATOM 1030 C ARG A 66 32.380 -15.041 -8.379 1.00 54.44 C ATOM 1031 O ARG A 66 32.189 -14.714 -9.550 1.00 63.45 O ATOM 1032 CB ARG A 66 33.356 -13.122 -7.105 1.00 50.15 C ATOM 1033 CG ARG A 66 34.536 -13.764 -6.394 1.00 72.13 C ATOM 1034 CD ARG A 66 35.857 -13.173 -6.862 1.00 32.42 C ATOM 1035 NE ARG A 66 36.467 -13.969 -7.924 1.00 31.13 N ATOM 1036 CZ ARG A 66 37.115 -15.108 -7.708 1.00 63.33 C ATOM 1037 NH1 ARG A 66 37.237 -15.583 -6.476 1.00 72.03 N ATOM 1038 NH2 ARG A 66 37.643 -15.775 -8.727 1.00 23.34 N ATOM 0 H ARG A 66 32.500 -14.457 -5.219 1.00 34.15 H new ATOM 0 HA ARG A 66 31.265 -13.451 -7.482 1.00 41.35 H new ATOM 0 HB2 ARG A 66 33.672 -12.800 -8.097 1.00 50.15 H new ATOM 0 HB3 ARG A 66 33.057 -12.227 -6.559 1.00 50.15 H new ATOM 0 HG2 ARG A 66 34.434 -13.623 -5.318 1.00 72.13 H new ATOM 0 HG3 ARG A 66 34.532 -14.839 -6.577 1.00 72.13 H new ATOM 0 HD2 ARG A 66 35.693 -12.156 -7.220 1.00 32.42 H new ATOM 0 HD3 ARG A 66 36.544 -13.107 -6.018 1.00 32.42 H new ATOM 0 HE ARG A 66 36.391 -13.632 -8.884 1.00 31.13 H new ATOM 0 HH11 ARG A 66 36.832 -15.073 -5.691 1.00 72.03 H new ATOM 0 HH12 ARG A 66 37.735 -16.458 -6.314 1.00 72.03 H new ATOM 0 HH21 ARG A 66 37.551 -15.413 -9.676 1.00 23.34 H new ATOM 0 HH22 ARG A 66 38.141 -16.650 -8.561 1.00 23.34 H new ATOM 1052 N GLU A 67 32.793 -16.253 -8.023 1.00 2.42 N ATOM 1053 CA GLU A 67 33.054 -17.292 -9.012 1.00 51.20 C ATOM 1054 C GLU A 67 31.760 -17.738 -9.687 1.00 13.35 C ATOM 1055 O GLU A 67 31.629 -17.667 -10.908 1.00 14.11 O ATOM 1056 CB GLU A 67 33.739 -18.492 -8.355 1.00 43.22 C ATOM 1057 CG GLU A 67 34.118 -19.589 -9.336 1.00 53.32 C ATOM 1058 CD GLU A 67 34.986 -20.661 -8.706 1.00 52.44 C ATOM 1059 OE1 GLU A 67 35.809 -20.318 -7.831 1.00 74.43 O ATOM 1060 OE2 GLU A 67 34.843 -21.841 -9.088 1.00 51.23 O ATOM 0 H GLU A 67 32.954 -16.540 -7.057 1.00 2.42 H new ATOM 0 HA GLU A 67 33.716 -16.876 -9.772 1.00 51.20 H new ATOM 0 HB2 GLU A 67 34.637 -18.150 -7.841 1.00 43.22 H new ATOM 0 HB3 GLU A 67 33.076 -18.908 -7.596 1.00 43.22 H new ATOM 0 HG2 GLU A 67 33.211 -20.047 -9.731 1.00 53.32 H new ATOM 0 HG3 GLU A 67 34.647 -19.149 -10.181 1.00 53.32 H new ATOM 1067 N GLU A 68 30.807 -18.197 -8.881 1.00 23.50 N ATOM 1068 CA GLU A 68 29.524 -18.656 -9.400 1.00 64.42 C ATOM 1069 C GLU A 68 28.583 -17.480 -9.642 1.00 10.01 C ATOM 1070 O GLU A 68 27.997 -17.350 -10.717 1.00 74.03 O ATOM 1071 CB GLU A 68 28.881 -19.648 -8.428 1.00 53.53 C ATOM 1072 CG GLU A 68 29.842 -20.704 -7.910 1.00 44.32 C ATOM 1073 CD GLU A 68 29.269 -22.105 -7.992 1.00 31.15 C ATOM 1074 OE1 GLU A 68 28.738 -22.468 -9.062 1.00 35.14 O ATOM 1075 OE2 GLU A 68 29.352 -22.839 -6.984 1.00 40.22 O ATOM 0 H GLU A 68 30.899 -18.261 -7.867 1.00 23.50 H new ATOM 0 HA GLU A 68 29.704 -19.156 -10.352 1.00 64.42 H new ATOM 0 HB2 GLU A 68 28.468 -19.099 -7.582 1.00 53.53 H new ATOM 0 HB3 GLU A 68 28.046 -20.142 -8.926 1.00 53.53 H new ATOM 0 HG2 GLU A 68 30.768 -20.660 -8.484 1.00 44.32 H new ATOM 0 HG3 GLU A 68 30.098 -20.480 -6.874 1.00 44.32 H new ATOM 1082 N LEU A 69 28.443 -16.626 -8.634 1.00 53.33 N ATOM 1083 CA LEU A 69 27.572 -15.459 -8.736 1.00 23.44 C ATOM 1084 C LEU A 69 27.797 -14.725 -10.054 1.00 35.42 C ATOM 1085 O LEU A 69 26.959 -14.776 -10.955 1.00 62.13 O ATOM 1086 CB LEU A 69 27.820 -14.510 -7.562 1.00 33.33 C ATOM 1087 CG LEU A 69 26.696 -13.521 -7.250 1.00 45.45 C ATOM 1088 CD1 LEU A 69 25.435 -14.259 -6.831 1.00 21.50 C ATOM 1089 CD2 LEU A 69 27.131 -12.545 -6.167 1.00 14.25 C ATOM 0 H LEU A 69 28.921 -16.719 -7.738 1.00 53.33 H new ATOM 0 HA LEU A 69 26.538 -15.804 -8.705 1.00 23.44 H new ATOM 0 HB2 LEU A 69 28.008 -15.108 -6.671 1.00 33.33 H new ATOM 0 HB3 LEU A 69 28.729 -13.944 -7.764 1.00 33.33 H new ATOM 0 HG LEU A 69 26.475 -12.954 -8.155 1.00 45.45 H new ATOM 0 HD11 LEU A 69 24.647 -13.538 -6.613 1.00 21.50 H new ATOM 0 HD12 LEU A 69 25.113 -14.916 -7.639 1.00 21.50 H new ATOM 0 HD13 LEU A 69 25.640 -14.853 -5.940 1.00 21.50 H new ATOM 0 HD21 LEU A 69 26.319 -11.848 -5.957 1.00 14.25 H new ATOM 0 HD22 LEU A 69 27.380 -13.095 -5.260 1.00 14.25 H new ATOM 0 HD23 LEU A 69 28.006 -11.991 -6.507 1.00 14.25 H new ATOM 1101 N CYS A 70 28.933 -14.045 -10.160 1.00 51.12 N ATOM 1102 CA CYS A 70 29.269 -13.302 -11.368 1.00 44.44 C ATOM 1103 C CYS A 70 30.758 -12.969 -11.406 1.00 23.34 C ATOM 1104 O CYS A 70 31.455 -13.299 -12.365 1.00 31.05 O ATOM 1105 CB CYS A 70 28.446 -12.014 -11.446 1.00 62.32 C ATOM 1106 SG CYS A 70 28.068 -11.275 -9.825 1.00 11.50 S ATOM 0 H CYS A 70 29.637 -13.993 -9.424 1.00 51.12 H new ATOM 0 HA CYS A 70 29.032 -13.930 -12.227 1.00 44.44 H new ATOM 0 HB2 CYS A 70 28.988 -11.285 -12.048 1.00 62.32 H new ATOM 0 HB3 CYS A 70 27.511 -12.224 -11.965 1.00 62.32 H new ATOM 1111 N GLY A 71 31.239 -12.314 -10.353 1.00 44.15 N ATOM 1112 CA GLY A 71 32.642 -11.948 -10.285 1.00 41.03 C ATOM 1113 C GLY A 71 33.039 -10.969 -11.372 1.00 43.12 C ATOM 1114 O GLY A 71 34.226 -10.753 -11.619 1.00 71.22 O ATOM 0 H GLY A 71 30.682 -12.031 -9.547 1.00 44.15 H new ATOM 0 HA2 GLY A 71 32.853 -11.509 -9.310 1.00 41.03 H new ATOM 0 HA3 GLY A 71 33.253 -12.847 -10.369 1.00 41.03 H new ATOM 1118 N ARG A 72 32.045 -10.376 -12.025 1.00 13.14 N ATOM 1119 CA ARG A 72 32.297 -9.417 -13.093 1.00 53.32 C ATOM 1120 C ARG A 72 32.756 -8.077 -12.524 1.00 72.35 C ATOM 1121 O ARG A 72 33.935 -7.732 -12.598 1.00 11.30 O ATOM 1122 CB ARG A 72 31.037 -9.219 -13.938 1.00 35.32 C ATOM 1123 CG ARG A 72 30.853 -10.277 -15.014 1.00 51.31 C ATOM 1124 CD ARG A 72 29.384 -10.614 -15.219 1.00 23.35 C ATOM 1125 NE ARG A 72 29.207 -11.819 -16.024 1.00 72.34 N ATOM 1126 CZ ARG A 72 28.039 -12.200 -16.530 1.00 52.42 C ATOM 1127 NH1 ARG A 72 26.951 -11.473 -16.315 1.00 1.23 N ATOM 1128 NH2 ARG A 72 27.957 -13.309 -17.254 1.00 4.04 N ATOM 0 H ARG A 72 31.057 -10.543 -11.833 1.00 13.14 H new ATOM 0 HA ARG A 72 33.091 -9.816 -13.724 1.00 53.32 H new ATOM 0 HB2 ARG A 72 30.166 -9.224 -13.283 1.00 35.32 H new ATOM 0 HB3 ARG A 72 31.076 -8.237 -14.409 1.00 35.32 H new ATOM 0 HG2 ARG A 72 31.280 -9.922 -15.952 1.00 51.31 H new ATOM 0 HG3 ARG A 72 31.399 -11.179 -14.736 1.00 51.31 H new ATOM 0 HD2 ARG A 72 28.905 -10.752 -14.250 1.00 23.35 H new ATOM 0 HD3 ARG A 72 28.884 -9.776 -15.705 1.00 23.35 H new ATOM 0 HE ARG A 72 30.025 -12.400 -16.208 1.00 72.34 H new ATOM 0 HH11 ARG A 72 27.010 -10.619 -15.760 1.00 1.23 H new ATOM 0 HH12 ARG A 72 26.056 -11.768 -16.705 1.00 1.23 H new ATOM 0 HH21 ARG A 72 28.792 -13.871 -17.423 1.00 4.04 H new ATOM 0 HH22 ARG A 72 27.059 -13.600 -17.642 1.00 4.04 H new ATOM 1142 N SER A 73 31.816 -7.327 -11.958 1.00 72.31 N ATOM 1143 CA SER A 73 32.123 -6.024 -11.381 1.00 13.12 C ATOM 1144 C SER A 73 32.151 -6.098 -9.857 1.00 44.22 C ATOM 1145 O SER A 73 31.562 -6.996 -9.257 1.00 53.12 O ATOM 1146 CB SER A 73 31.093 -4.987 -11.833 1.00 52.10 C ATOM 1147 OG SER A 73 31.635 -3.678 -11.793 1.00 63.41 O ATOM 0 H SER A 73 30.836 -7.599 -11.887 1.00 72.31 H new ATOM 0 HA SER A 73 33.110 -5.722 -11.732 1.00 13.12 H new ATOM 0 HB2 SER A 73 30.762 -5.216 -12.846 1.00 52.10 H new ATOM 0 HB3 SER A 73 30.214 -5.040 -11.191 1.00 52.10 H new ATOM 0 HG SER A 73 30.958 -3.034 -12.088 1.00 63.41 H new ATOM 1153 N ALA A 74 32.842 -5.146 -9.238 1.00 22.22 N ATOM 1154 CA ALA A 74 32.947 -5.101 -7.785 1.00 31.13 C ATOM 1155 C ALA A 74 31.567 -5.069 -7.136 1.00 24.14 C ATOM 1156 O ALA A 74 31.405 -5.470 -5.984 1.00 14.13 O ATOM 1157 CB ALA A 74 33.764 -3.893 -7.352 1.00 23.03 C ATOM 0 H ALA A 74 33.337 -4.396 -9.720 1.00 22.22 H new ATOM 0 HA ALA A 74 33.455 -6.007 -7.454 1.00 31.13 H new ATOM 0 HB1 ALA A 74 33.834 -3.872 -6.264 1.00 23.03 H new ATOM 0 HB2 ALA A 74 34.765 -3.959 -7.779 1.00 23.03 H new ATOM 0 HB3 ALA A 74 33.279 -2.982 -7.702 1.00 23.03 H new ATOM 1163 N GLU A 75 30.578 -4.589 -7.882 1.00 71.15 N ATOM 1164 CA GLU A 75 29.213 -4.504 -7.377 1.00 53.14 C ATOM 1165 C GLU A 75 28.252 -5.281 -8.272 1.00 71.54 C ATOM 1166 O GLU A 75 28.041 -4.926 -9.432 1.00 71.44 O ATOM 1167 CB GLU A 75 28.770 -3.042 -7.284 1.00 61.12 C ATOM 1168 CG GLU A 75 28.985 -2.258 -8.568 1.00 21.02 C ATOM 1169 CD GLU A 75 28.796 -0.765 -8.378 1.00 62.53 C ATOM 1170 OE1 GLU A 75 28.559 -0.338 -7.229 1.00 73.04 O ATOM 1171 OE2 GLU A 75 28.886 -0.025 -9.380 1.00 5.21 O ATOM 0 H GLU A 75 30.696 -4.253 -8.838 1.00 71.15 H new ATOM 0 HA GLU A 75 29.194 -4.947 -6.381 1.00 53.14 H new ATOM 0 HB2 GLU A 75 27.713 -3.008 -7.020 1.00 61.12 H new ATOM 0 HB3 GLU A 75 29.317 -2.556 -6.476 1.00 61.12 H new ATOM 0 HG2 GLU A 75 29.991 -2.449 -8.942 1.00 21.02 H new ATOM 0 HG3 GLU A 75 28.290 -2.615 -9.328 1.00 21.02 H new ATOM 1178 N CYS A 76 27.673 -6.345 -7.725 1.00 55.22 N ATOM 1179 CA CYS A 76 26.735 -7.175 -8.472 1.00 40.51 C ATOM 1180 C CYS A 76 25.322 -7.037 -7.913 1.00 52.32 C ATOM 1181 O CYS A 76 25.092 -7.238 -6.721 1.00 4.23 O ATOM 1182 CB CYS A 76 27.172 -8.640 -8.428 1.00 71.23 C ATOM 1183 SG CYS A 76 27.531 -9.358 -10.064 1.00 33.34 S ATOM 0 H CYS A 76 27.837 -6.653 -6.766 1.00 55.22 H new ATOM 0 HA CYS A 76 26.732 -6.835 -9.507 1.00 40.51 H new ATOM 0 HB2 CYS A 76 28.061 -8.724 -7.803 1.00 71.23 H new ATOM 0 HB3 CYS A 76 26.389 -9.228 -7.949 1.00 71.23 H new ATOM 1188 N SER A 77 24.378 -6.693 -8.784 1.00 1.53 N ATOM 1189 CA SER A 77 22.988 -6.524 -8.377 1.00 71.12 C ATOM 1190 C SER A 77 22.168 -7.764 -8.719 1.00 72.34 C ATOM 1191 O SER A 77 22.423 -8.434 -9.721 1.00 42.40 O ATOM 1192 CB SER A 77 22.381 -5.294 -9.056 1.00 23.52 C ATOM 1193 OG SER A 77 23.263 -4.187 -8.987 1.00 61.34 O ATOM 0 H SER A 77 24.551 -6.526 -9.775 1.00 1.53 H new ATOM 0 HA SER A 77 22.966 -6.381 -7.297 1.00 71.12 H new ATOM 0 HB2 SER A 77 22.160 -5.522 -10.099 1.00 23.52 H new ATOM 0 HB3 SER A 77 21.435 -5.040 -8.577 1.00 23.52 H new ATOM 0 HG SER A 77 22.853 -3.414 -9.429 1.00 61.34 H new ATOM 1199 N ILE A 78 21.182 -8.064 -7.880 1.00 61.04 N ATOM 1200 CA ILE A 78 20.324 -9.222 -8.094 1.00 35.51 C ATOM 1201 C ILE A 78 18.851 -8.841 -7.995 1.00 15.22 C ATOM 1202 O ILE A 78 18.460 -8.046 -7.139 1.00 21.33 O ATOM 1203 CB ILE A 78 20.622 -10.340 -7.077 1.00 3.32 C ATOM 1204 CG1 ILE A 78 22.087 -10.770 -7.175 1.00 22.31 C ATOM 1205 CG2 ILE A 78 19.699 -11.527 -7.307 1.00 50.34 C ATOM 1206 CD1 ILE A 78 22.950 -10.237 -6.053 1.00 44.53 C ATOM 0 H ILE A 78 20.958 -7.521 -7.046 1.00 61.04 H new ATOM 0 HA ILE A 78 20.536 -9.589 -9.098 1.00 35.51 H new ATOM 0 HB ILE A 78 20.442 -9.955 -6.073 1.00 3.32 H new ATOM 0 HG12 ILE A 78 22.138 -11.859 -7.176 1.00 22.31 H new ATOM 0 HG13 ILE A 78 22.494 -10.431 -8.128 1.00 22.31 H new ATOM 0 HG21 ILE A 78 19.923 -12.308 -6.580 1.00 50.34 H new ATOM 0 HG22 ILE A 78 18.663 -11.210 -7.191 1.00 50.34 H new ATOM 0 HG23 ILE A 78 19.849 -11.915 -8.314 1.00 50.34 H new ATOM 0 HD11 ILE A 78 23.975 -10.582 -6.187 1.00 44.53 H new ATOM 0 HD12 ILE A 78 22.929 -9.147 -6.064 1.00 44.53 H new ATOM 0 HD13 ILE A 78 22.568 -10.597 -5.098 1.00 44.53 H new ATOM 1218 N HIS A 79 18.036 -9.413 -8.875 1.00 71.44 N ATOM 1219 CA HIS A 79 16.604 -9.135 -8.886 1.00 21.00 C ATOM 1220 C HIS A 79 15.805 -10.383 -8.524 1.00 23.34 C ATOM 1221 O HIS A 79 16.152 -11.494 -8.927 1.00 63.22 O ATOM 1222 CB HIS A 79 16.173 -8.621 -10.260 1.00 2.42 C ATOM 1223 CG HIS A 79 17.045 -7.523 -10.789 1.00 33.41 C ATOM 1224 ND1 HIS A 79 17.970 -7.715 -11.793 1.00 21.20 N ATOM 1225 CD2 HIS A 79 17.126 -6.216 -10.449 1.00 5.14 C ATOM 1226 CE1 HIS A 79 18.585 -6.574 -12.046 1.00 53.42 C ATOM 1227 NE2 HIS A 79 18.091 -5.648 -11.244 1.00 53.42 N ATOM 0 H HIS A 79 18.343 -10.072 -9.590 1.00 71.44 H new ATOM 0 HA HIS A 79 16.403 -8.367 -8.139 1.00 21.00 H new ATOM 0 HB2 HIS A 79 16.178 -9.450 -10.967 1.00 2.42 H new ATOM 0 HB3 HIS A 79 15.146 -8.261 -10.198 1.00 2.42 H new ATOM 0 HD2 HIS A 79 16.541 -5.713 -9.693 1.00 5.14 H new ATOM 0 HE1 HIS A 79 19.360 -6.424 -12.783 1.00 53.42 H new ATOM 0 HE2 HIS A 79 18.379 -4.670 -11.219 1.00 53.42 H new ATOM 1235 N LEU A 80 14.735 -10.194 -7.760 1.00 1.23 N ATOM 1236 CA LEU A 80 13.887 -11.305 -7.342 1.00 13.40 C ATOM 1237 C LEU A 80 12.424 -10.877 -7.274 1.00 22.13 C ATOM 1238 O LEU A 80 12.120 -9.694 -7.129 1.00 42.54 O ATOM 1239 CB LEU A 80 14.339 -11.834 -5.980 1.00 4.30 C ATOM 1240 CG LEU A 80 13.513 -12.980 -5.397 1.00 31.51 C ATOM 1241 CD1 LEU A 80 14.395 -13.914 -4.583 1.00 22.21 C ATOM 1242 CD2 LEU A 80 12.376 -12.438 -4.543 1.00 23.22 C ATOM 0 H LEU A 80 14.434 -9.282 -7.417 1.00 1.23 H new ATOM 0 HA LEU A 80 13.981 -12.100 -8.082 1.00 13.40 H new ATOM 0 HB2 LEU A 80 15.374 -12.166 -6.067 1.00 4.30 H new ATOM 0 HB3 LEU A 80 14.328 -11.007 -5.270 1.00 4.30 H new ATOM 0 HG LEU A 80 13.082 -13.548 -6.222 1.00 31.51 H new ATOM 0 HD11 LEU A 80 13.789 -14.724 -4.176 1.00 22.21 H new ATOM 0 HD12 LEU A 80 15.173 -14.330 -5.223 1.00 22.21 H new ATOM 0 HD13 LEU A 80 14.856 -13.359 -3.766 1.00 22.21 H new ATOM 0 HD21 LEU A 80 11.799 -13.268 -4.136 1.00 23.22 H new ATOM 0 HD22 LEU A 80 12.786 -11.846 -3.725 1.00 23.22 H new ATOM 0 HD23 LEU A 80 11.728 -11.811 -5.155 1.00 23.22 H new ATOM 1254 N GLU A 81 11.523 -11.849 -7.376 1.00 63.34 N ATOM 1255 CA GLU A 81 10.093 -11.573 -7.325 1.00 15.54 C ATOM 1256 C GLU A 81 9.390 -12.518 -6.355 1.00 22.43 C ATOM 1257 O GLU A 81 9.332 -13.727 -6.581 1.00 73.13 O ATOM 1258 CB GLU A 81 9.475 -11.702 -8.718 1.00 74.44 C ATOM 1259 CG GLU A 81 9.236 -10.368 -9.405 1.00 73.20 C ATOM 1260 CD GLU A 81 9.086 -10.504 -10.908 1.00 21.02 C ATOM 1261 OE1 GLU A 81 9.133 -11.648 -11.407 1.00 40.11 O ATOM 1262 OE2 GLU A 81 8.922 -9.467 -11.584 1.00 65.55 O ATOM 0 H GLU A 81 11.759 -12.834 -7.494 1.00 63.34 H new ATOM 0 HA GLU A 81 9.960 -10.551 -6.970 1.00 15.54 H new ATOM 0 HB2 GLU A 81 10.130 -12.310 -9.342 1.00 74.44 H new ATOM 0 HB3 GLU A 81 8.527 -12.234 -8.638 1.00 74.44 H new ATOM 0 HG2 GLU A 81 8.337 -9.908 -8.994 1.00 73.20 H new ATOM 0 HG3 GLU A 81 10.066 -9.697 -9.186 1.00 73.20 H new ATOM 1269 N VAL A 82 8.858 -11.959 -5.272 1.00 64.14 N ATOM 1270 CA VAL A 82 8.159 -12.751 -4.268 1.00 24.25 C ATOM 1271 C VAL A 82 6.668 -12.834 -4.573 1.00 21.10 C ATOM 1272 O VAL A 82 5.939 -11.852 -4.427 1.00 70.54 O ATOM 1273 CB VAL A 82 8.351 -12.164 -2.857 1.00 4.13 C ATOM 1274 CG1 VAL A 82 8.000 -13.196 -1.796 1.00 60.11 C ATOM 1275 CG2 VAL A 82 9.778 -11.667 -2.677 1.00 12.34 C ATOM 0 H VAL A 82 8.898 -10.960 -5.068 1.00 64.14 H new ATOM 0 HA VAL A 82 8.589 -13.752 -4.299 1.00 24.25 H new ATOM 0 HB VAL A 82 7.677 -11.315 -2.741 1.00 4.13 H new ATOM 0 HG11 VAL A 82 8.142 -12.763 -0.806 1.00 60.11 H new ATOM 0 HG12 VAL A 82 6.960 -13.499 -1.914 1.00 60.11 H new ATOM 0 HG13 VAL A 82 8.647 -14.066 -1.907 1.00 60.11 H new ATOM 0 HG21 VAL A 82 9.896 -11.255 -1.675 1.00 12.34 H new ATOM 0 HG22 VAL A 82 10.472 -12.496 -2.813 1.00 12.34 H new ATOM 0 HG23 VAL A 82 9.989 -10.893 -3.414 1.00 12.34 H new ATOM 1285 N ILE A 83 6.221 -14.012 -4.997 1.00 1.55 N ATOM 1286 CA ILE A 83 4.816 -14.223 -5.321 1.00 11.11 C ATOM 1287 C ILE A 83 4.005 -14.541 -4.069 1.00 54.43 C ATOM 1288 O ILE A 83 4.381 -15.402 -3.274 1.00 72.15 O ATOM 1289 CB ILE A 83 4.639 -15.366 -6.338 1.00 14.12 C ATOM 1290 CG1 ILE A 83 3.153 -15.669 -6.543 1.00 50.15 C ATOM 1291 CG2 ILE A 83 5.379 -16.610 -5.870 1.00 72.24 C ATOM 1292 CD1 ILE A 83 2.640 -16.795 -5.673 1.00 52.24 C ATOM 0 H ILE A 83 6.812 -14.834 -5.124 1.00 1.55 H new ATOM 0 HA ILE A 83 4.451 -13.295 -5.762 1.00 11.11 H new ATOM 0 HB ILE A 83 5.062 -15.053 -7.293 1.00 14.12 H new ATOM 0 HG12 ILE A 83 2.575 -14.768 -6.336 1.00 50.15 H new ATOM 0 HG13 ILE A 83 2.983 -15.923 -7.589 1.00 50.15 H new ATOM 0 HG21 ILE A 83 5.245 -17.409 -6.599 1.00 72.24 H new ATOM 0 HG22 ILE A 83 6.441 -16.385 -5.769 1.00 72.24 H new ATOM 0 HG23 ILE A 83 4.982 -16.928 -4.906 1.00 72.24 H new ATOM 0 HD11 ILE A 83 1.580 -16.954 -5.872 1.00 52.24 H new ATOM 0 HD12 ILE A 83 3.192 -17.708 -5.896 1.00 52.24 H new ATOM 0 HD13 ILE A 83 2.777 -16.535 -4.623 1.00 52.24 H new ATOM 1304 N VAL A 84 2.888 -13.840 -3.901 1.00 54.21 N ATOM 1305 CA VAL A 84 2.020 -14.049 -2.748 1.00 4.22 C ATOM 1306 C VAL A 84 0.577 -14.282 -3.180 1.00 63.25 C ATOM 1307 O VAL A 84 0.098 -13.670 -4.135 1.00 13.43 O ATOM 1308 CB VAL A 84 2.068 -12.848 -1.785 1.00 2.23 C ATOM 1309 CG1 VAL A 84 3.377 -12.836 -1.010 1.00 63.11 C ATOM 1310 CG2 VAL A 84 1.879 -11.546 -2.548 1.00 1.42 C ATOM 0 H VAL A 84 2.563 -13.122 -4.549 1.00 54.21 H new ATOM 0 HA VAL A 84 2.389 -14.935 -2.232 1.00 4.22 H new ATOM 0 HB VAL A 84 1.251 -12.946 -1.070 1.00 2.23 H new ATOM 0 HG11 VAL A 84 3.392 -11.980 -0.335 1.00 63.11 H new ATOM 0 HG12 VAL A 84 3.466 -13.756 -0.432 1.00 63.11 H new ATOM 0 HG13 VAL A 84 4.212 -12.763 -1.707 1.00 63.11 H new ATOM 0 HG21 VAL A 84 1.916 -10.708 -1.852 1.00 1.42 H new ATOM 0 HG22 VAL A 84 2.673 -11.439 -3.287 1.00 1.42 H new ATOM 0 HG23 VAL A 84 0.913 -11.557 -3.052 1.00 1.42 H new ATOM 1320 N ASP A 85 -0.110 -15.171 -2.472 1.00 73.23 N ATOM 1321 CA ASP A 85 -1.501 -15.485 -2.782 1.00 5.13 C ATOM 1322 C ASP A 85 -2.434 -14.932 -1.709 1.00 40.13 C ATOM 1323 O ASP A 85 -2.376 -15.343 -0.550 1.00 75.23 O ATOM 1324 CB ASP A 85 -1.688 -16.997 -2.908 1.00 73.53 C ATOM 1325 CG ASP A 85 -2.354 -17.391 -4.212 1.00 64.15 C ATOM 1326 OD1 ASP A 85 -1.668 -17.375 -5.256 1.00 72.30 O ATOM 1327 OD2 ASP A 85 -3.560 -17.714 -4.190 1.00 21.13 O ATOM 0 H ASP A 85 0.273 -15.687 -1.680 1.00 73.23 H new ATOM 0 HA ASP A 85 -1.751 -15.015 -3.733 1.00 5.13 H new ATOM 0 HB2 ASP A 85 -0.717 -17.488 -2.836 1.00 73.53 H new ATOM 0 HB3 ASP A 85 -2.289 -17.357 -2.073 1.00 73.53 H new ATOM 1332 N ARG A 86 -3.292 -13.997 -2.104 1.00 11.12 N ATOM 1333 CA ARG A 86 -4.236 -13.386 -1.176 1.00 11.11 C ATOM 1334 C ARG A 86 -3.507 -12.536 -0.139 1.00 62.04 C ATOM 1335 O ARG A 86 -3.210 -12.983 0.968 1.00 23.54 O ATOM 1336 CB ARG A 86 -5.065 -14.464 -0.475 1.00 54.42 C ATOM 1337 CG ARG A 86 -6.527 -14.473 -0.891 1.00 34.33 C ATOM 1338 CD ARG A 86 -7.424 -13.933 0.212 1.00 3.44 C ATOM 1339 NE ARG A 86 -8.128 -15.000 0.918 1.00 51.03 N ATOM 1340 CZ ARG A 86 -9.089 -15.734 0.368 1.00 30.44 C ATOM 1341 NH1 ARG A 86 -9.458 -15.518 -0.887 1.00 23.23 N ATOM 1342 NH2 ARG A 86 -9.683 -16.688 1.075 1.00 40.23 N ATOM 0 H ARG A 86 -3.353 -13.646 -3.060 1.00 11.12 H new ATOM 0 HA ARG A 86 -4.902 -12.739 -1.748 1.00 11.11 H new ATOM 0 HB2 ARG A 86 -4.630 -15.441 -0.687 1.00 54.42 H new ATOM 0 HB3 ARG A 86 -5.003 -14.314 0.603 1.00 54.42 H new ATOM 0 HG2 ARG A 86 -6.654 -13.872 -1.791 1.00 34.33 H new ATOM 0 HG3 ARG A 86 -6.829 -15.490 -1.142 1.00 34.33 H new ATOM 0 HD2 ARG A 86 -6.823 -13.364 0.922 1.00 3.44 H new ATOM 0 HD3 ARG A 86 -8.150 -13.242 -0.217 1.00 3.44 H new ATOM 0 HE ARG A 86 -7.868 -15.192 1.885 1.00 51.03 H new ATOM 0 HH11 ARG A 86 -9.004 -14.786 -1.433 1.00 23.23 H new ATOM 0 HH12 ARG A 86 -10.196 -16.084 -1.306 1.00 23.23 H new ATOM 0 HH21 ARG A 86 -9.401 -16.857 2.041 1.00 40.23 H new ATOM 0 HH22 ARG A 86 -10.421 -17.251 0.653 1.00 40.23 H new ATOM 1356 N PRO A 87 -3.210 -11.280 -0.506 1.00 73.31 N ATOM 1357 CA PRO A 87 -3.558 -10.737 -1.822 1.00 54.13 C ATOM 1358 C PRO A 87 -2.736 -11.363 -2.944 1.00 12.33 C ATOM 1359 O PRO A 87 -1.656 -11.906 -2.707 1.00 13.20 O ATOM 1360 CB PRO A 87 -3.233 -9.247 -1.688 1.00 73.13 C ATOM 1361 CG PRO A 87 -2.194 -9.181 -0.623 1.00 11.51 C ATOM 1362 CD PRO A 87 -2.512 -10.294 0.336 1.00 60.52 C ATOM 0 HA PRO A 87 -4.596 -10.939 -2.084 1.00 54.13 H new ATOM 0 HB2 PRO A 87 -2.864 -8.836 -2.628 1.00 73.13 H new ATOM 0 HB3 PRO A 87 -4.118 -8.672 -1.415 1.00 73.13 H new ATOM 0 HG2 PRO A 87 -1.196 -9.302 -1.044 1.00 11.51 H new ATOM 0 HG3 PRO A 87 -2.213 -8.215 -0.119 1.00 11.51 H new ATOM 0 HD2 PRO A 87 -1.609 -10.712 0.780 1.00 60.52 H new ATOM 0 HD3 PRO A 87 -3.141 -9.950 1.157 1.00 60.52 H new ATOM 1370 N LEU A 88 -3.253 -11.283 -4.165 1.00 21.21 N ATOM 1371 CA LEU A 88 -2.566 -11.842 -5.324 1.00 42.33 C ATOM 1372 C LEU A 88 -1.689 -10.790 -5.996 1.00 62.13 C ATOM 1373 O LEU A 88 -2.191 -9.864 -6.632 1.00 74.34 O ATOM 1374 CB LEU A 88 -3.581 -12.392 -6.327 1.00 71.13 C ATOM 1375 CG LEU A 88 -4.153 -13.775 -6.013 1.00 62.13 C ATOM 1376 CD1 LEU A 88 -5.508 -13.651 -5.335 1.00 53.02 C ATOM 1377 CD2 LEU A 88 -4.264 -14.607 -7.283 1.00 25.24 C ATOM 0 H LEU A 88 -4.145 -10.837 -4.378 1.00 21.21 H new ATOM 0 HA LEU A 88 -1.927 -12.656 -4.980 1.00 42.33 H new ATOM 0 HB2 LEU A 88 -4.409 -11.687 -6.400 1.00 71.13 H new ATOM 0 HB3 LEU A 88 -3.108 -12.431 -7.308 1.00 71.13 H new ATOM 0 HG LEU A 88 -3.473 -14.282 -5.329 1.00 62.13 H new ATOM 0 HD11 LEU A 88 -5.899 -14.645 -5.119 1.00 53.02 H new ATOM 0 HD12 LEU A 88 -5.400 -13.094 -4.404 1.00 53.02 H new ATOM 0 HD13 LEU A 88 -6.198 -13.125 -5.995 1.00 53.02 H new ATOM 0 HD21 LEU A 88 -4.673 -15.588 -7.041 1.00 25.24 H new ATOM 0 HD22 LEU A 88 -4.923 -14.104 -7.991 1.00 25.24 H new ATOM 0 HD23 LEU A 88 -3.276 -14.725 -7.728 1.00 25.24 H new ATOM 1389 N GLN A 89 -0.376 -10.941 -5.852 1.00 33.51 N ATOM 1390 CA GLN A 89 0.570 -10.005 -6.447 1.00 22.34 C ATOM 1391 C GLN A 89 2.007 -10.434 -6.168 1.00 43.53 C ATOM 1392 O GLN A 89 2.251 -11.511 -5.624 1.00 12.51 O ATOM 1393 CB GLN A 89 0.332 -8.594 -5.906 1.00 63.20 C ATOM 1394 CG GLN A 89 -0.053 -7.589 -6.979 1.00 2.40 C ATOM 1395 CD GLN A 89 1.153 -6.963 -7.652 1.00 72.34 C ATOM 1396 OE1 GLN A 89 1.826 -7.736 -8.497 1.00 53.35 O flip ATOM 1397 NE2 GLN A 89 1.476 -5.799 -7.416 1.00 5.32 N flip ATOM 0 H GLN A 89 0.056 -11.702 -5.329 1.00 33.51 H new ATOM 0 HA GLN A 89 0.413 -10.004 -7.526 1.00 22.34 H new ATOM 0 HB2 GLN A 89 -0.456 -8.630 -5.154 1.00 63.20 H new ATOM 0 HB3 GLN A 89 1.236 -8.249 -5.404 1.00 63.20 H new ATOM 0 HG2 GLN A 89 -0.668 -8.084 -7.731 1.00 2.40 H new ATOM 0 HG3 GLN A 89 -0.664 -6.804 -6.534 1.00 2.40 H new ATOM 0 HE21 GLN A 89 0.930 -5.241 -6.759 1.00 5.32 H new ATOM 0 HE22 GLN A 89 2.290 -5.392 -7.877 1.00 5.32 H new ATOM 1406 N VAL A 90 2.957 -9.583 -6.546 1.00 33.21 N ATOM 1407 CA VAL A 90 4.370 -9.873 -6.336 1.00 62.13 C ATOM 1408 C VAL A 90 5.071 -8.713 -5.638 1.00 23.51 C ATOM 1409 O VAL A 90 4.617 -7.571 -5.701 1.00 3.31 O ATOM 1410 CB VAL A 90 5.087 -10.165 -7.668 1.00 52.11 C ATOM 1411 CG1 VAL A 90 6.458 -10.772 -7.415 1.00 3.01 C ATOM 1412 CG2 VAL A 90 4.241 -11.082 -8.538 1.00 31.41 C ATOM 0 H VAL A 90 2.773 -8.688 -6.999 1.00 33.21 H new ATOM 0 HA VAL A 90 4.421 -10.759 -5.703 1.00 62.13 H new ATOM 0 HB VAL A 90 5.226 -9.224 -8.200 1.00 52.11 H new ATOM 0 HG11 VAL A 90 6.949 -10.971 -8.367 1.00 3.01 H new ATOM 0 HG12 VAL A 90 7.063 -10.076 -6.834 1.00 3.01 H new ATOM 0 HG13 VAL A 90 6.347 -11.705 -6.862 1.00 3.01 H new ATOM 0 HG21 VAL A 90 4.763 -11.278 -9.475 1.00 31.41 H new ATOM 0 HG22 VAL A 90 4.069 -12.023 -8.015 1.00 31.41 H new ATOM 0 HG23 VAL A 90 3.285 -10.603 -8.748 1.00 31.41 H new ATOM 1422 N PHE A 91 6.181 -9.015 -4.972 1.00 43.23 N ATOM 1423 CA PHE A 91 6.946 -7.997 -4.261 1.00 23.31 C ATOM 1424 C PHE A 91 8.335 -7.835 -4.872 1.00 51.40 C ATOM 1425 O PHE A 91 9.076 -8.806 -5.025 1.00 60.11 O ATOM 1426 CB PHE A 91 7.068 -8.363 -2.780 1.00 40.01 C ATOM 1427 CG PHE A 91 5.756 -8.347 -2.049 1.00 21.20 C ATOM 1428 CD1 PHE A 91 4.994 -7.191 -1.990 1.00 64.33 C ATOM 1429 CD2 PHE A 91 5.285 -9.488 -1.420 1.00 31.23 C ATOM 1430 CE1 PHE A 91 3.787 -7.173 -1.319 1.00 35.44 C ATOM 1431 CE2 PHE A 91 4.078 -9.476 -0.747 1.00 33.40 C ATOM 1432 CZ PHE A 91 3.328 -8.317 -0.695 1.00 62.43 C ATOM 0 H PHE A 91 6.570 -9.956 -4.910 1.00 43.23 H new ATOM 0 HA PHE A 91 6.415 -7.049 -4.352 1.00 23.31 H new ATOM 0 HB2 PHE A 91 7.511 -9.355 -2.694 1.00 40.01 H new ATOM 0 HB3 PHE A 91 7.753 -7.666 -2.297 1.00 40.01 H new ATOM 0 HD1 PHE A 91 5.348 -6.293 -2.475 1.00 64.33 H new ATOM 0 HD2 PHE A 91 5.867 -10.397 -1.456 1.00 31.23 H new ATOM 0 HE1 PHE A 91 3.203 -6.266 -1.282 1.00 35.44 H new ATOM 0 HE2 PHE A 91 3.721 -10.372 -0.262 1.00 33.40 H new ATOM 0 HZ PHE A 91 2.385 -8.305 -0.168 1.00 62.43 H new ATOM 1442 N HIS A 92 8.681 -6.599 -5.220 1.00 74.13 N ATOM 1443 CA HIS A 92 9.980 -6.308 -5.815 1.00 41.21 C ATOM 1444 C HIS A 92 11.098 -6.490 -4.793 1.00 44.42 C ATOM 1445 O HIS A 92 11.104 -5.848 -3.743 1.00 13.23 O ATOM 1446 CB HIS A 92 10.004 -4.882 -6.367 1.00 2.05 C ATOM 1447 CG HIS A 92 10.444 -4.800 -7.796 1.00 1.22 C ATOM 1448 ND1 HIS A 92 11.720 -4.435 -8.171 1.00 21.52 N ATOM 1449 CD2 HIS A 92 9.770 -5.039 -8.945 1.00 32.32 C ATOM 1450 CE1 HIS A 92 11.811 -4.453 -9.489 1.00 1.44 C ATOM 1451 NE2 HIS A 92 10.641 -4.816 -9.982 1.00 63.34 N ATOM 0 H HIS A 92 8.080 -5.784 -5.100 1.00 74.13 H new ATOM 0 HA HIS A 92 10.143 -7.009 -6.634 1.00 41.21 H new ATOM 0 HB2 HIS A 92 9.007 -4.450 -6.277 1.00 2.05 H new ATOM 0 HB3 HIS A 92 10.671 -4.275 -5.755 1.00 2.05 H new ATOM 0 HD2 HIS A 92 8.739 -5.348 -9.030 1.00 32.32 H new ATOM 0 HE1 HIS A 92 12.692 -4.212 -10.065 1.00 1.44 H new ATOM 0 HE2 HIS A 92 10.420 -4.915 -10.973 1.00 63.34 H new ATOM 1459 N VAL A 93 12.044 -7.369 -5.108 1.00 61.11 N ATOM 1460 CA VAL A 93 13.168 -7.635 -4.218 1.00 34.23 C ATOM 1461 C VAL A 93 14.496 -7.485 -4.950 1.00 24.22 C ATOM 1462 O VAL A 93 14.692 -8.054 -6.023 1.00 51.34 O ATOM 1463 CB VAL A 93 13.083 -9.050 -3.615 1.00 21.02 C ATOM 1464 CG1 VAL A 93 14.331 -9.360 -2.802 1.00 41.23 C ATOM 1465 CG2 VAL A 93 11.832 -9.191 -2.761 1.00 2.13 C ATOM 0 H VAL A 93 12.054 -7.909 -5.973 1.00 61.11 H new ATOM 0 HA VAL A 93 13.116 -6.901 -3.414 1.00 34.23 H new ATOM 0 HB VAL A 93 13.021 -9.770 -4.431 1.00 21.02 H new ATOM 0 HG11 VAL A 93 14.253 -10.364 -2.384 1.00 41.23 H new ATOM 0 HG12 VAL A 93 15.208 -9.303 -3.446 1.00 41.23 H new ATOM 0 HG13 VAL A 93 14.427 -8.636 -1.993 1.00 41.23 H new ATOM 0 HG21 VAL A 93 11.788 -10.197 -2.343 1.00 2.13 H new ATOM 0 HG22 VAL A 93 11.860 -8.462 -1.951 1.00 2.13 H new ATOM 0 HG23 VAL A 93 10.950 -9.015 -3.376 1.00 2.13 H new ATOM 1475 N GLU A 94 15.407 -6.716 -4.361 1.00 31.12 N ATOM 1476 CA GLU A 94 16.718 -6.491 -4.958 1.00 70.52 C ATOM 1477 C GLU A 94 17.821 -6.615 -3.911 1.00 43.22 C ATOM 1478 O GLU A 94 17.916 -5.799 -2.994 1.00 20.22 O ATOM 1479 CB GLU A 94 16.774 -5.110 -5.614 1.00 63.21 C ATOM 1480 CG GLU A 94 17.183 -5.147 -7.077 1.00 22.30 C ATOM 1481 CD GLU A 94 17.266 -3.765 -7.695 1.00 13.01 C ATOM 1482 OE1 GLU A 94 16.267 -3.020 -7.618 1.00 51.43 O ATOM 1483 OE2 GLU A 94 18.330 -3.429 -8.255 1.00 42.20 O ATOM 0 H GLU A 94 15.261 -6.239 -3.471 1.00 31.12 H new ATOM 0 HA GLU A 94 16.878 -7.254 -5.720 1.00 70.52 H new ATOM 0 HB2 GLU A 94 15.795 -4.638 -5.531 1.00 63.21 H new ATOM 0 HB3 GLU A 94 17.477 -4.484 -5.065 1.00 63.21 H new ATOM 0 HG2 GLU A 94 18.151 -5.640 -7.167 1.00 22.30 H new ATOM 0 HG3 GLU A 94 16.466 -5.748 -7.636 1.00 22.30 H new ATOM 1490 N VAL A 95 18.654 -7.641 -4.055 1.00 74.21 N ATOM 1491 CA VAL A 95 19.751 -7.872 -3.123 1.00 72.22 C ATOM 1492 C VAL A 95 21.099 -7.616 -3.787 1.00 50.41 C ATOM 1493 O VAL A 95 21.373 -8.125 -4.873 1.00 45.21 O ATOM 1494 CB VAL A 95 19.727 -9.311 -2.574 1.00 1.12 C ATOM 1495 CG1 VAL A 95 18.486 -9.538 -1.724 1.00 1.20 C ATOM 1496 CG2 VAL A 95 19.795 -10.317 -3.713 1.00 15.11 C ATOM 0 H VAL A 95 18.590 -8.325 -4.808 1.00 74.21 H new ATOM 0 HA VAL A 95 19.617 -7.173 -2.297 1.00 72.22 H new ATOM 0 HB VAL A 95 20.603 -9.454 -1.941 1.00 1.12 H new ATOM 0 HG11 VAL A 95 18.487 -10.560 -1.345 1.00 1.20 H new ATOM 0 HG12 VAL A 95 18.486 -8.840 -0.886 1.00 1.20 H new ATOM 0 HG13 VAL A 95 17.595 -9.377 -2.331 1.00 1.20 H new ATOM 0 HG21 VAL A 95 19.777 -11.328 -3.307 1.00 15.11 H new ATOM 0 HG22 VAL A 95 18.940 -10.176 -4.374 1.00 15.11 H new ATOM 0 HG23 VAL A 95 20.717 -10.168 -4.275 1.00 15.11 H new ATOM 1506 N GLU A 96 21.937 -6.823 -3.126 1.00 53.31 N ATOM 1507 CA GLU A 96 23.257 -6.498 -3.653 1.00 71.44 C ATOM 1508 C GLU A 96 24.349 -7.214 -2.863 1.00 41.25 C ATOM 1509 O GLU A 96 24.163 -7.557 -1.696 1.00 10.21 O ATOM 1510 CB GLU A 96 23.490 -4.987 -3.612 1.00 53.44 C ATOM 1511 CG GLU A 96 23.922 -4.401 -4.946 1.00 55.12 C ATOM 1512 CD GLU A 96 24.435 -2.980 -4.820 1.00 43.34 C ATOM 1513 OE1 GLU A 96 24.788 -2.575 -3.693 1.00 15.34 O ATOM 1514 OE2 GLU A 96 24.485 -2.273 -5.848 1.00 50.15 O ATOM 0 H GLU A 96 21.725 -6.394 -2.225 1.00 53.31 H new ATOM 0 HA GLU A 96 23.300 -6.836 -4.688 1.00 71.44 H new ATOM 0 HB2 GLU A 96 22.573 -4.495 -3.289 1.00 53.44 H new ATOM 0 HB3 GLU A 96 24.251 -4.765 -2.864 1.00 53.44 H new ATOM 0 HG2 GLU A 96 24.702 -5.028 -5.378 1.00 55.12 H new ATOM 0 HG3 GLU A 96 23.079 -4.419 -5.637 1.00 55.12 H new ATOM 1521 N VAL A 97 25.489 -7.436 -3.510 1.00 23.34 N ATOM 1522 CA VAL A 97 26.612 -8.110 -2.869 1.00 23.14 C ATOM 1523 C VAL A 97 27.668 -7.108 -2.414 1.00 74.11 C ATOM 1524 O VAL A 97 28.153 -6.301 -3.206 1.00 44.42 O ATOM 1525 CB VAL A 97 27.266 -9.134 -3.815 1.00 25.32 C ATOM 1526 CG1 VAL A 97 26.409 -10.386 -3.922 1.00 60.11 C ATOM 1527 CG2 VAL A 97 27.500 -8.519 -5.186 1.00 51.12 C ATOM 0 H VAL A 97 25.659 -7.159 -4.477 1.00 23.34 H new ATOM 0 HA VAL A 97 26.213 -8.633 -2.000 1.00 23.14 H new ATOM 0 HB VAL A 97 28.233 -9.419 -3.401 1.00 25.32 H new ATOM 0 HG11 VAL A 97 26.887 -11.098 -4.595 1.00 60.11 H new ATOM 0 HG12 VAL A 97 26.298 -10.837 -2.936 1.00 60.11 H new ATOM 0 HG13 VAL A 97 25.426 -10.122 -4.312 1.00 60.11 H new ATOM 0 HG21 VAL A 97 27.963 -9.257 -5.842 1.00 51.12 H new ATOM 0 HG22 VAL A 97 26.547 -8.203 -5.611 1.00 51.12 H new ATOM 0 HG23 VAL A 97 28.158 -7.655 -5.090 1.00 51.12 H new ATOM 1537 N ARG A 98 28.018 -7.166 -1.134 1.00 23.45 N ATOM 1538 CA ARG A 98 29.016 -6.263 -0.573 1.00 20.32 C ATOM 1539 C ARG A 98 30.402 -6.902 -0.597 1.00 52.42 C ATOM 1540 O ARG A 98 30.658 -7.881 0.104 1.00 54.22 O ATOM 1541 CB ARG A 98 28.643 -5.884 0.861 1.00 12.14 C ATOM 1542 CG ARG A 98 29.402 -4.678 1.390 1.00 41.24 C ATOM 1543 CD ARG A 98 30.450 -5.084 2.414 1.00 60.10 C ATOM 1544 NE ARG A 98 30.943 -3.940 3.176 1.00 43.23 N ATOM 1545 CZ ARG A 98 32.043 -3.972 3.920 1.00 13.35 C ATOM 1546 NH1 ARG A 98 32.760 -5.084 4.003 1.00 52.12 N ATOM 1547 NH2 ARG A 98 32.427 -2.889 4.585 1.00 63.15 N ATOM 0 H ARG A 98 27.625 -7.829 -0.465 1.00 23.45 H new ATOM 0 HA ARG A 98 29.039 -5.362 -1.186 1.00 20.32 H new ATOM 0 HB2 ARG A 98 27.574 -5.678 0.907 1.00 12.14 H new ATOM 0 HB3 ARG A 98 28.832 -6.736 1.514 1.00 12.14 H new ATOM 0 HG2 ARG A 98 29.883 -4.158 0.562 1.00 41.24 H new ATOM 0 HG3 ARG A 98 28.702 -3.976 1.843 1.00 41.24 H new ATOM 0 HD2 ARG A 98 30.023 -5.818 3.098 1.00 60.10 H new ATOM 0 HD3 ARG A 98 31.284 -5.568 1.906 1.00 60.10 H new ATOM 0 HE ARG A 98 30.414 -3.069 3.135 1.00 43.23 H new ATOM 0 HH11 ARG A 98 32.468 -5.919 3.495 1.00 52.12 H new ATOM 0 HH12 ARG A 98 33.604 -5.105 4.575 1.00 52.12 H new ATOM 0 HH21 ARG A 98 31.877 -2.032 4.525 1.00 63.15 H new ATOM 0 HH22 ARG A 98 33.272 -2.914 5.156 1.00 63.15 H new ATOM 1561 N ASP A 99 31.291 -6.341 -1.409 1.00 5.44 N ATOM 1562 CA ASP A 99 32.651 -6.854 -1.524 1.00 65.23 C ATOM 1563 C ASP A 99 33.463 -6.024 -2.514 1.00 25.14 C ATOM 1564 O ASP A 99 32.989 -5.008 -3.023 1.00 31.24 O ATOM 1565 CB ASP A 99 32.631 -8.319 -1.965 1.00 13.34 C ATOM 1566 CG ASP A 99 33.164 -9.252 -0.896 1.00 31.32 C ATOM 1567 OD1 ASP A 99 33.033 -8.921 0.301 1.00 1.43 O ATOM 1568 OD2 ASP A 99 33.711 -10.315 -1.256 1.00 62.12 O ATOM 0 H ASP A 99 31.094 -5.531 -1.997 1.00 5.44 H new ATOM 0 HA ASP A 99 33.123 -6.784 -0.544 1.00 65.23 H new ATOM 0 HB2 ASP A 99 31.610 -8.606 -2.217 1.00 13.34 H new ATOM 0 HB3 ASP A 99 33.227 -8.431 -2.871 1.00 13.34 H new ATOM 1573 N ILE A 100 34.689 -6.463 -2.780 1.00 40.22 N ATOM 1574 CA ILE A 100 35.566 -5.760 -3.708 1.00 63.23 C ATOM 1575 C ILE A 100 35.865 -6.614 -4.936 1.00 30.22 C ATOM 1576 O ILE A 100 35.777 -7.840 -4.888 1.00 32.22 O ATOM 1577 CB ILE A 100 36.895 -5.364 -3.037 1.00 14.01 C ATOM 1578 CG1 ILE A 100 36.635 -4.787 -1.644 1.00 12.11 C ATOM 1579 CG2 ILE A 100 37.646 -4.361 -3.900 1.00 72.30 C ATOM 1580 CD1 ILE A 100 36.768 -5.805 -0.533 1.00 62.34 C ATOM 0 H ILE A 100 35.097 -7.301 -2.366 1.00 40.22 H new ATOM 0 HA ILE A 100 35.040 -4.856 -4.016 1.00 63.23 H new ATOM 0 HB ILE A 100 37.512 -6.256 -2.931 1.00 14.01 H new ATOM 0 HG12 ILE A 100 37.333 -3.970 -1.462 1.00 12.11 H new ATOM 0 HG13 ILE A 100 35.632 -4.361 -1.617 1.00 12.11 H new ATOM 0 HG21 ILE A 100 38.583 -4.091 -3.412 1.00 72.30 H new ATOM 0 HG22 ILE A 100 37.858 -4.805 -4.873 1.00 72.30 H new ATOM 0 HG23 ILE A 100 37.036 -3.468 -4.034 1.00 72.30 H new ATOM 0 HD11 ILE A 100 36.570 -5.325 0.426 1.00 62.34 H new ATOM 0 HD12 ILE A 100 36.051 -6.611 -0.690 1.00 62.34 H new ATOM 0 HD13 ILE A 100 37.779 -6.213 -0.533 1.00 62.34 H new ATOM 1592 N ASN A 101 36.221 -5.957 -6.035 1.00 15.21 N ATOM 1593 CA ASN A 101 36.534 -6.656 -7.276 1.00 0.11 C ATOM 1594 C ASN A 101 37.936 -7.255 -7.223 1.00 61.24 C ATOM 1595 O ASN A 101 38.123 -8.446 -7.475 1.00 43.45 O ATOM 1596 CB ASN A 101 36.419 -5.702 -8.466 1.00 44.52 C ATOM 1597 CG ASN A 101 37.120 -6.232 -9.702 1.00 73.23 C ATOM 1598 OD1 ASN A 101 37.900 -5.525 -10.339 1.00 43.50 O ATOM 1599 ND2 ASN A 101 36.843 -7.484 -10.047 1.00 74.24 N ATOM 0 H ASN A 101 36.300 -4.942 -6.091 1.00 15.21 H new ATOM 0 HA ASN A 101 35.816 -7.467 -7.399 1.00 0.11 H new ATOM 0 HB2 ASN A 101 35.366 -5.534 -8.693 1.00 44.52 H new ATOM 0 HB3 ASN A 101 36.845 -4.736 -8.196 1.00 44.52 H new ATOM 0 HD21 ASN A 101 37.284 -7.896 -10.870 1.00 74.24 H new ATOM 0 HD22 ASN A 101 36.190 -8.034 -9.489 1.00 74.24 H new ATOM 1606 N ASP A 102 38.917 -6.423 -6.894 1.00 3.42 N ATOM 1607 CA ASP A 102 40.303 -6.870 -6.806 1.00 54.22 C ATOM 1608 C ASP A 102 40.683 -7.182 -5.362 1.00 55.21 C ATOM 1609 O ASP A 102 41.844 -7.060 -4.976 1.00 0.04 O ATOM 1610 CB ASP A 102 41.242 -5.805 -7.375 1.00 54.01 C ATOM 1611 CG ASP A 102 40.922 -5.462 -8.817 1.00 11.33 C ATOM 1612 OD1 ASP A 102 40.469 -6.362 -9.554 1.00 52.30 O ATOM 1613 OD2 ASP A 102 41.126 -4.293 -9.208 1.00 33.10 O ATOM 0 H ASP A 102 38.779 -5.435 -6.684 1.00 3.42 H new ATOM 0 HA ASP A 102 40.402 -7.782 -7.394 1.00 54.22 H new ATOM 0 HB2 ASP A 102 41.175 -4.903 -6.767 1.00 54.01 H new ATOM 0 HB3 ASP A 102 42.271 -6.159 -7.308 1.00 54.01 H new ATOM 1618 N ASN A 103 39.694 -7.584 -4.569 1.00 45.31 N ATOM 1619 CA ASN A 103 39.925 -7.911 -3.167 1.00 20.41 C ATOM 1620 C ASN A 103 40.536 -6.727 -2.425 1.00 12.44 C ATOM 1621 O ASN A 103 39.837 -5.994 -1.725 1.00 5.33 O ATOM 1622 CB ASN A 103 40.844 -9.129 -3.051 1.00 21.14 C ATOM 1623 CG ASN A 103 40.165 -10.304 -2.374 1.00 14.23 C ATOM 1624 OD1 ASN A 103 40.610 -10.774 -1.327 1.00 1.13 O ATOM 1625 ND2 ASN A 103 39.080 -10.784 -2.971 1.00 11.13 N ATOM 0 H ASN A 103 38.726 -7.691 -4.874 1.00 45.31 H new ATOM 0 HA ASN A 103 38.963 -8.145 -2.711 1.00 20.41 H new ATOM 0 HB2 ASN A 103 41.174 -9.428 -4.046 1.00 21.14 H new ATOM 0 HB3 ASN A 103 41.736 -8.855 -2.488 1.00 21.14 H new ATOM 0 HD21 ASN A 103 38.580 -11.574 -2.562 1.00 11.13 H new ATOM 0 HD22 ASN A 103 38.747 -10.363 -3.838 1.00 11.13 H new TER 1632 ASN A 103