USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 ASN : amide:sc= -0.488 K(o=-0.36,f=-7.3!) USER MOD Set 1.2: A 78 THR OG1 : rot 2:sc= 0.13 USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 100 MET CE :methyl 135:sc= -1.14 (180deg=-2.21) USER MOD Set 3.1: A 58 ASN : amide:sc= -0.753 K(o=-0.75,f=-6.8!) USER MOD Set 3.2: A 60 THR OG1 : rot 180:sc= 0.00734 USER MOD Single : A 28 GLN : amide:sc= -4.22! C(o=-4.2!,f=-5.7!) USER MOD Single : A 31 SER OG : rot -98:sc= 0.644 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 39 SER OG : rot -25:sc= 0.355 USER MOD Single : A 40 LYS NZ :NH3+ -111:sc= -1.37 (180deg=-3.82!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -87:sc= 1.27 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 54 MET CE :methyl -155:sc= -0.219 (180deg=-0.968) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 57 SER OG : rot -22:sc= 0.718 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 17:sc= 1.08 USER MOD Single : A 70 SER OG : rot 97:sc= 1.23 USER MOD Single : A 79 THR OG1 : rot -17:sc= 1.03 USER MOD Single : A 81 GLN : amide:sc= -1.1 K(o=-1.1,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.094 X(o=-0.094,f=-0.004) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 178:sc= 1.45 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -160:sc= 0.868 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -4.91! K(o=-4.9!,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 -0.443 -7.552 2.102 1.00 0.00 N ATOM 33 CA ASP A 25 1.010 -7.558 2.239 1.00 0.00 C ATOM 34 C ASP A 25 1.494 -6.164 2.625 1.00 0.00 C ATOM 35 O ASP A 25 2.385 -6.004 3.463 1.00 0.00 O ATOM 36 CB ASP A 25 1.695 -8.000 0.942 1.00 0.00 C ATOM 37 CG ASP A 25 3.183 -8.241 1.135 1.00 0.00 C ATOM 38 OD1 ASP A 25 3.554 -9.364 1.538 1.00 0.00 O ATOM 39 OD2 ASP A 25 3.987 -7.315 0.892 1.00 0.00 O ATOM 0 HA ASP A 25 1.272 -8.272 3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.225 -8.913 0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.548 -7.238 0.177 1.00 0.00 H new ATOM 44 N GLY A 26 0.866 -5.163 2.031 1.00 0.00 N ATOM 45 CA GLY A 26 1.236 -3.782 2.254 1.00 0.00 C ATOM 46 C GLY A 26 0.617 -2.889 1.201 1.00 0.00 C ATOM 47 O GLY A 26 0.123 -3.383 0.192 1.00 0.00 O ATOM 0 H GLY A 26 0.088 -5.288 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.908 -3.467 3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.321 -3.682 2.231 1.00 0.00 H new ATOM 51 N VAL A 27 0.617 -1.586 1.430 1.00 0.00 N ATOM 52 CA VAL A 27 0.067 -0.649 0.456 1.00 0.00 C ATOM 53 C VAL A 27 1.116 0.373 0.039 1.00 0.00 C ATOM 54 O VAL A 27 2.018 0.695 0.811 1.00 0.00 O ATOM 55 CB VAL A 27 -1.176 0.094 1.002 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.285 -0.887 1.352 1.00 0.00 C ATOM 57 CG2 VAL A 27 -0.819 0.947 2.211 1.00 0.00 C ATOM 0 H VAL A 27 0.988 -1.152 2.275 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.237 -1.239 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.538 0.756 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.147 -0.340 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.573 -1.443 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.930 -1.581 2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.712 1.457 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.420 0.310 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.069 1.685 1.927 1.00 0.00 H new ATOM 67 N GLN A 28 1.009 0.878 -1.180 1.00 0.00 N ATOM 68 CA GLN A 28 1.926 1.902 -1.640 1.00 0.00 C ATOM 69 C GLN A 28 1.162 3.101 -2.202 1.00 0.00 C ATOM 70 O GLN A 28 -0.030 3.006 -2.489 1.00 0.00 O ATOM 71 CB GLN A 28 2.904 1.314 -2.665 1.00 0.00 C ATOM 72 CG GLN A 28 2.253 0.768 -3.929 1.00 0.00 C ATOM 73 CD GLN A 28 2.017 1.826 -4.994 1.00 0.00 C ATOM 74 OE1 GLN A 28 1.046 1.756 -5.740 1.00 0.00 O ATOM 75 NE2 GLN A 28 2.933 2.774 -5.117 1.00 0.00 N ATOM 0 H GLN A 28 0.303 0.597 -1.861 1.00 0.00 H new ATOM 0 HA GLN A 28 2.509 2.262 -0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.621 2.086 -2.947 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.469 0.513 -2.189 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.884 -0.018 -4.343 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.300 0.308 -3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.728 2.801 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.844 3.477 -5.851 1.00 0.00 H new ATOM 84 N ILE A 29 1.854 4.223 -2.347 1.00 0.00 N ATOM 85 CA ILE A 29 1.234 5.462 -2.793 1.00 0.00 C ATOM 86 C ILE A 29 1.302 5.590 -4.309 1.00 0.00 C ATOM 87 O ILE A 29 2.390 5.691 -4.877 1.00 0.00 O ATOM 88 CB ILE A 29 1.932 6.687 -2.169 1.00 0.00 C ATOM 89 CG1 ILE A 29 1.987 6.559 -0.645 1.00 0.00 C ATOM 90 CG2 ILE A 29 1.214 7.968 -2.579 1.00 0.00 C ATOM 91 CD1 ILE A 29 2.774 7.663 0.030 1.00 0.00 C ATOM 0 H ILE A 29 2.854 4.300 -2.160 1.00 0.00 H new ATOM 0 HA ILE A 29 0.193 5.431 -2.472 1.00 0.00 H new ATOM 0 HB ILE A 29 2.956 6.731 -2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.970 6.557 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.431 5.598 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.716 8.826 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.231 8.063 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.181 7.932 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.769 7.506 1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.801 7.652 -0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.318 8.627 -0.198 1.00 0.00 H new ATOM 103 N ASP A 30 0.145 5.591 -4.953 1.00 0.00 N ATOM 104 CA ASP A 30 0.076 5.794 -6.397 1.00 0.00 C ATOM 105 C ASP A 30 0.511 7.203 -6.740 1.00 0.00 C ATOM 106 O ASP A 30 1.472 7.416 -7.481 1.00 0.00 O ATOM 107 CB ASP A 30 -1.348 5.579 -6.908 1.00 0.00 C ATOM 108 CG ASP A 30 -1.470 5.786 -8.411 1.00 0.00 C ATOM 109 OD1 ASP A 30 -1.173 4.843 -9.175 1.00 0.00 O ATOM 110 OD2 ASP A 30 -1.865 6.898 -8.834 1.00 0.00 O ATOM 0 H ASP A 30 -0.759 5.454 -4.502 1.00 0.00 H new ATOM 0 HA ASP A 30 0.739 5.071 -6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.671 4.569 -6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.021 6.266 -6.395 1.00 0.00 H new ATOM 115 N SER A 31 -0.201 8.165 -6.178 1.00 0.00 N ATOM 116 CA SER A 31 0.078 9.566 -6.427 1.00 0.00 C ATOM 117 C SER A 31 -0.629 10.433 -5.398 1.00 0.00 C ATOM 118 O SER A 31 -1.542 9.972 -4.714 1.00 0.00 O ATOM 119 CB SER A 31 -0.363 9.941 -7.844 1.00 0.00 C ATOM 120 OG SER A 31 -1.669 9.464 -8.108 1.00 0.00 O ATOM 0 H SER A 31 -0.981 7.998 -5.542 1.00 0.00 H new ATOM 0 HA SER A 31 1.151 9.737 -6.340 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.336 11.024 -7.963 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.335 9.523 -8.569 1.00 0.00 H new ATOM 0 HG SER A 31 -1.615 8.619 -8.602 1.00 0.00 H new ATOM 126 N VAL A 32 -0.184 11.671 -5.272 1.00 0.00 N ATOM 127 CA VAL A 32 -0.802 12.621 -4.364 1.00 0.00 C ATOM 128 C VAL A 32 -1.761 13.520 -5.141 1.00 0.00 C ATOM 129 O VAL A 32 -1.449 13.957 -6.250 1.00 0.00 O ATOM 130 CB VAL A 32 0.264 13.480 -3.647 1.00 0.00 C ATOM 131 CG1 VAL A 32 -0.382 14.411 -2.631 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.308 12.598 -2.974 1.00 0.00 C ATOM 0 H VAL A 32 0.610 12.044 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.354 12.066 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 32 0.764 14.090 -4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.389 15.005 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.082 15.074 -3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.916 13.822 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.048 13.225 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.823 11.956 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.802 11.981 -3.725 1.00 0.00 H new ATOM 142 N VAL A 33 -2.920 13.786 -4.561 1.00 0.00 N ATOM 143 CA VAL A 33 -3.949 14.564 -5.230 1.00 0.00 C ATOM 144 C VAL A 33 -3.725 16.057 -5.015 1.00 0.00 C ATOM 145 O VAL A 33 -3.743 16.535 -3.881 1.00 0.00 O ATOM 146 CB VAL A 33 -5.359 14.176 -4.731 1.00 0.00 C ATOM 147 CG1 VAL A 33 -6.436 14.931 -5.498 1.00 0.00 C ATOM 148 CG2 VAL A 33 -5.572 12.673 -4.845 1.00 0.00 C ATOM 0 H VAL A 33 -3.172 13.473 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.883 14.342 -6.295 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.435 14.456 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.419 14.640 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.299 16.003 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.363 14.692 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.570 12.419 -4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.470 12.369 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.828 12.153 -4.241 1.00 0.00 H new ATOM 158 N PRO A 34 -3.515 16.815 -6.105 1.00 0.00 N ATOM 159 CA PRO A 34 -3.286 18.265 -6.036 1.00 0.00 C ATOM 160 C PRO A 34 -4.506 19.035 -5.526 1.00 0.00 C ATOM 161 O PRO A 34 -4.411 20.214 -5.186 1.00 0.00 O ATOM 162 CB PRO A 34 -2.978 18.654 -7.486 1.00 0.00 C ATOM 163 CG PRO A 34 -3.579 17.569 -8.311 1.00 0.00 C ATOM 164 CD PRO A 34 -3.466 16.316 -7.491 1.00 0.00 C ATOM 0 HA PRO A 34 -2.487 18.509 -5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.409 19.624 -7.735 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.904 18.730 -7.655 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.620 17.789 -8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.053 17.463 -9.260 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.282 15.624 -7.699 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.537 15.784 -7.695 1.00 0.00 H new ATOM 172 N GLY A 35 -5.649 18.362 -5.476 1.00 0.00 N ATOM 173 CA GLY A 35 -6.856 18.982 -4.967 1.00 0.00 C ATOM 174 C GLY A 35 -7.066 18.669 -3.501 1.00 0.00 C ATOM 175 O GLY A 35 -8.188 18.710 -3.001 1.00 0.00 O ATOM 0 H GLY A 35 -5.761 17.395 -5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.797 20.062 -5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.715 18.634 -5.541 1.00 0.00 H new ATOM 179 N SER A 36 -5.979 18.335 -2.820 1.00 0.00 N ATOM 180 CA SER A 36 -6.018 17.987 -1.412 1.00 0.00 C ATOM 181 C SER A 36 -4.700 18.386 -0.741 1.00 0.00 C ATOM 182 O SER A 36 -3.757 18.794 -1.428 1.00 0.00 O ATOM 183 CB SER A 36 -6.274 16.490 -1.264 1.00 0.00 C ATOM 184 OG SER A 36 -7.513 16.123 -1.854 1.00 0.00 O ATOM 0 H SER A 36 -5.046 18.298 -3.231 1.00 0.00 H new ATOM 0 HA SER A 36 -6.828 18.528 -0.922 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.464 15.931 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.277 16.221 -0.208 1.00 0.00 H new ATOM 0 HG SER A 36 -7.653 15.159 -1.747 1.00 0.00 H new ATOM 190 N PRO A 37 -4.617 18.313 0.603 1.00 0.00 N ATOM 191 CA PRO A 37 -3.380 18.616 1.330 1.00 0.00 C ATOM 192 C PRO A 37 -2.307 17.542 1.131 1.00 0.00 C ATOM 193 O PRO A 37 -2.419 16.699 0.242 1.00 0.00 O ATOM 194 CB PRO A 37 -3.828 18.665 2.793 1.00 0.00 C ATOM 195 CG PRO A 37 -5.034 17.797 2.847 1.00 0.00 C ATOM 196 CD PRO A 37 -5.717 17.955 1.517 1.00 0.00 C ATOM 0 HA PRO A 37 -2.920 19.541 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.047 18.299 3.459 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.059 19.684 3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.759 16.757 3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.693 18.095 3.662 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.211 17.034 1.208 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.481 18.732 1.548 1.00 0.00 H new ATOM 204 N ALA A 38 -1.249 17.616 1.945 1.00 0.00 N ATOM 205 CA ALA A 38 -0.161 16.627 1.942 1.00 0.00 C ATOM 206 C ALA A 38 0.690 16.676 0.668 1.00 0.00 C ATOM 207 O ALA A 38 1.756 16.060 0.610 1.00 0.00 O ATOM 208 CB ALA A 38 -0.705 15.219 2.156 1.00 0.00 C ATOM 0 H ALA A 38 -1.121 18.364 2.627 1.00 0.00 H new ATOM 0 HA ALA A 38 0.493 16.891 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.119 14.506 2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.220 15.170 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.404 14.973 1.356 1.00 0.00 H new ATOM 214 N SER A 39 0.241 17.432 -0.332 1.00 0.00 N ATOM 215 CA SER A 39 0.936 17.523 -1.614 1.00 0.00 C ATOM 216 C SER A 39 2.254 18.285 -1.478 1.00 0.00 C ATOM 217 O SER A 39 3.037 18.360 -2.423 1.00 0.00 O ATOM 218 CB SER A 39 0.032 18.197 -2.657 1.00 0.00 C ATOM 219 OG SER A 39 0.627 18.193 -3.947 1.00 0.00 O ATOM 0 H SER A 39 -0.608 17.995 -0.278 1.00 0.00 H new ATOM 0 HA SER A 39 1.169 16.511 -1.946 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.927 17.680 -2.697 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.172 19.224 -2.353 1.00 0.00 H new ATOM 0 HG SER A 39 1.601 18.135 -3.858 1.00 0.00 H new ATOM 225 N LYS A 40 2.489 18.850 -0.303 1.00 0.00 N ATOM 226 CA LYS A 40 3.734 19.550 -0.027 1.00 0.00 C ATOM 227 C LYS A 40 4.478 18.878 1.123 1.00 0.00 C ATOM 228 O LYS A 40 5.430 19.433 1.673 1.00 0.00 O ATOM 229 CB LYS A 40 3.455 21.015 0.311 1.00 0.00 C ATOM 230 CG LYS A 40 2.615 21.208 1.565 1.00 0.00 C ATOM 231 CD LYS A 40 2.402 22.681 1.895 1.00 0.00 C ATOM 232 CE LYS A 40 3.691 23.373 2.327 1.00 0.00 C ATOM 233 NZ LYS A 40 4.552 23.748 1.171 1.00 0.00 N ATOM 0 H LYS A 40 1.831 18.837 0.477 1.00 0.00 H new ATOM 0 HA LYS A 40 4.359 19.509 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.404 21.536 0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.945 21.482 -0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.648 20.724 1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.103 20.716 2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.994 23.191 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.662 22.769 2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.445 24.268 2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.248 22.713 2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.409 23.159 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.029 23.597 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.820 24.750 1.248 1.00 0.00 H new ATOM 247 N VAL A 41 4.038 17.677 1.486 1.00 0.00 N ATOM 248 CA VAL A 41 4.624 16.962 2.613 1.00 0.00 C ATOM 249 C VAL A 41 5.194 15.615 2.177 1.00 0.00 C ATOM 250 O VAL A 41 6.373 15.329 2.394 1.00 0.00 O ATOM 251 CB VAL A 41 3.590 16.734 3.739 1.00 0.00 C ATOM 252 CG1 VAL A 41 4.237 16.059 4.940 1.00 0.00 C ATOM 253 CG2 VAL A 41 2.940 18.048 4.148 1.00 0.00 C ATOM 0 H VAL A 41 3.280 17.180 1.017 1.00 0.00 H new ATOM 0 HA VAL A 41 5.431 17.587 2.995 1.00 0.00 H new ATOM 0 HB VAL A 41 2.813 16.073 3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.490 15.909 5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.646 15.095 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.039 16.689 5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.216 17.864 4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.705 18.736 4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.433 18.486 3.288 1.00 0.00 H new ATOM 263 N LEU A 42 4.355 14.793 1.557 1.00 0.00 N ATOM 264 CA LEU A 42 4.765 13.454 1.147 1.00 0.00 C ATOM 265 C LEU A 42 5.203 13.436 -0.312 1.00 0.00 C ATOM 266 O LEU A 42 5.038 14.417 -1.036 1.00 0.00 O ATOM 267 CB LEU A 42 3.637 12.430 1.349 1.00 0.00 C ATOM 268 CG LEU A 42 3.221 12.163 2.802 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.303 13.259 3.316 1.00 0.00 C ATOM 270 CD2 LEU A 42 2.545 10.806 2.918 1.00 0.00 C ATOM 0 H LEU A 42 3.390 15.029 1.328 1.00 0.00 H new ATOM 0 HA LEU A 42 5.608 13.176 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.761 12.772 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.947 11.486 0.901 1.00 0.00 H new ATOM 0 HG LEU A 42 4.121 12.160 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.023 13.045 4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.820 14.217 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.406 13.302 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.256 10.631 3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.658 10.786 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.236 10.027 2.598 1.00 0.00 H new ATOM 282 N THR A 43 5.757 12.312 -0.731 1.00 0.00 N ATOM 283 CA THR A 43 6.163 12.119 -2.110 1.00 0.00 C ATOM 284 C THR A 43 5.460 10.891 -2.688 1.00 0.00 C ATOM 285 O THR A 43 5.484 9.818 -2.082 1.00 0.00 O ATOM 286 CB THR A 43 7.696 11.948 -2.218 1.00 0.00 C ATOM 287 OG1 THR A 43 8.348 13.065 -1.604 1.00 0.00 O ATOM 288 CG2 THR A 43 8.144 11.840 -3.670 1.00 0.00 C ATOM 0 H THR A 43 5.937 11.510 -0.127 1.00 0.00 H new ATOM 0 HA THR A 43 5.878 13.004 -2.680 1.00 0.00 H new ATOM 0 HB THR A 43 7.968 11.025 -1.706 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.319 12.954 -1.672 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.227 11.721 -3.709 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.667 10.977 -4.135 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.859 12.745 -4.207 1.00 0.00 H new ATOM 296 N PRO A 44 4.789 11.040 -3.839 1.00 0.00 N ATOM 297 CA PRO A 44 4.096 9.927 -4.490 1.00 0.00 C ATOM 298 C PRO A 44 5.072 8.887 -5.033 1.00 0.00 C ATOM 299 O PRO A 44 6.192 9.218 -5.419 1.00 0.00 O ATOM 300 CB PRO A 44 3.330 10.599 -5.631 1.00 0.00 C ATOM 301 CG PRO A 44 4.078 11.855 -5.908 1.00 0.00 C ATOM 302 CD PRO A 44 4.656 12.298 -4.595 1.00 0.00 C ATOM 0 HA PRO A 44 3.452 9.382 -3.799 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.293 9.959 -6.512 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.299 10.808 -5.345 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.866 11.685 -6.642 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.418 12.618 -6.320 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.619 12.792 -4.726 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.001 13.006 -4.086 1.00 0.00 H new ATOM 310 N GLY A 45 4.644 7.634 -5.051 1.00 0.00 N ATOM 311 CA GLY A 45 5.501 6.570 -5.534 1.00 0.00 C ATOM 312 C GLY A 45 6.176 5.810 -4.411 1.00 0.00 C ATOM 313 O GLY A 45 6.897 4.840 -4.654 1.00 0.00 O ATOM 0 H GLY A 45 3.720 7.334 -4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.911 5.877 -6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.262 6.991 -6.191 1.00 0.00 H new ATOM 317 N LEU A 46 5.951 6.242 -3.176 1.00 0.00 N ATOM 318 CA LEU A 46 6.552 5.584 -2.022 1.00 0.00 C ATOM 319 C LEU A 46 5.641 4.482 -1.493 1.00 0.00 C ATOM 320 O LEU A 46 4.462 4.427 -1.834 1.00 0.00 O ATOM 321 CB LEU A 46 6.839 6.604 -0.913 1.00 0.00 C ATOM 322 CG LEU A 46 7.809 7.724 -1.286 1.00 0.00 C ATOM 323 CD1 LEU A 46 8.055 8.637 -0.094 1.00 0.00 C ATOM 324 CD2 LEU A 46 9.119 7.144 -1.795 1.00 0.00 C ATOM 0 H LEU A 46 5.360 7.041 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 46 7.492 5.134 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.895 7.052 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.239 6.073 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 46 7.362 8.317 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.748 9.428 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.112 9.079 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.482 8.059 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.799 7.955 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.571 6.528 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.928 6.532 -2.677 1.00 0.00 H new ATOM 336 N VAL A 47 6.192 3.606 -0.670 1.00 0.00 N ATOM 337 CA VAL A 47 5.421 2.529 -0.067 1.00 0.00 C ATOM 338 C VAL A 47 5.090 2.872 1.386 1.00 0.00 C ATOM 339 O VAL A 47 5.929 3.419 2.107 1.00 0.00 O ATOM 340 CB VAL A 47 6.194 1.191 -0.120 1.00 0.00 C ATOM 341 CG1 VAL A 47 5.362 0.049 0.446 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.623 0.881 -1.548 1.00 0.00 C ATOM 0 H VAL A 47 7.176 3.619 -0.402 1.00 0.00 H new ATOM 0 HA VAL A 47 4.498 2.417 -0.636 1.00 0.00 H new ATOM 0 HB VAL A 47 7.085 1.294 0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.933 -0.878 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.110 0.263 1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.446 -0.057 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.166 -0.064 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.741 0.806 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.269 1.678 -1.915 1.00 0.00 H new ATOM 352 N ILE A 48 3.873 2.551 1.808 1.00 0.00 N ATOM 353 CA ILE A 48 3.420 2.872 3.155 1.00 0.00 C ATOM 354 C ILE A 48 3.674 1.703 4.100 1.00 0.00 C ATOM 355 O ILE A 48 3.194 0.591 3.880 1.00 0.00 O ATOM 356 CB ILE A 48 1.915 3.225 3.185 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.624 4.396 2.242 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.470 3.563 4.603 1.00 0.00 C ATOM 359 CD1 ILE A 48 0.159 4.764 2.160 1.00 0.00 C ATOM 0 H ILE A 48 3.181 2.068 1.235 1.00 0.00 H new ATOM 0 HA ILE A 48 3.989 3.742 3.482 1.00 0.00 H new ATOM 0 HB ILE A 48 1.351 2.356 2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.190 5.267 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.982 4.144 1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.408 3.808 4.602 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.644 2.705 5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.040 4.417 4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.032 5.601 1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.411 3.908 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.201 5.048 3.149 1.00 0.00 H new ATOM 371 N GLU A 49 4.437 1.969 5.144 1.00 0.00 N ATOM 372 CA GLU A 49 4.740 0.972 6.152 1.00 0.00 C ATOM 373 C GLU A 49 3.587 0.885 7.144 1.00 0.00 C ATOM 374 O GLU A 49 3.056 -0.196 7.408 1.00 0.00 O ATOM 375 CB GLU A 49 6.044 1.349 6.865 1.00 0.00 C ATOM 376 CG GLU A 49 6.748 0.196 7.568 1.00 0.00 C ATOM 377 CD GLU A 49 6.004 -0.310 8.786 1.00 0.00 C ATOM 378 OE1 GLU A 49 5.841 0.465 9.751 1.00 0.00 O ATOM 379 OE2 GLU A 49 5.573 -1.480 8.780 1.00 0.00 O ATOM 0 H GLU A 49 4.863 2.880 5.316 1.00 0.00 H new ATOM 0 HA GLU A 49 4.868 -0.004 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.728 1.782 6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.828 2.125 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.877 -0.625 6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.745 0.518 7.868 1.00 0.00 H new ATOM 386 N SER A 50 3.175 2.037 7.665 1.00 0.00 N ATOM 387 CA SER A 50 2.145 2.067 8.693 1.00 0.00 C ATOM 388 C SER A 50 1.551 3.461 8.865 1.00 0.00 C ATOM 389 O SER A 50 2.158 4.464 8.472 1.00 0.00 O ATOM 390 CB SER A 50 2.723 1.571 10.020 1.00 0.00 C ATOM 391 OG SER A 50 3.956 2.209 10.312 1.00 0.00 O ATOM 0 H SER A 50 3.535 2.952 7.395 1.00 0.00 H new ATOM 0 HA SER A 50 1.338 1.407 8.375 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.012 1.762 10.824 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.870 0.492 9.975 1.00 0.00 H new ATOM 0 HG SER A 50 4.689 1.713 9.891 1.00 0.00 H new ATOM 397 N ILE A 51 0.354 3.507 9.439 1.00 0.00 N ATOM 398 CA ILE A 51 -0.309 4.766 9.745 1.00 0.00 C ATOM 399 C ILE A 51 -0.484 4.927 11.255 1.00 0.00 C ATOM 400 O ILE A 51 -1.298 4.238 11.875 1.00 0.00 O ATOM 401 CB ILE A 51 -1.683 4.878 9.057 1.00 0.00 C ATOM 402 CG1 ILE A 51 -1.525 4.741 7.540 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.342 6.210 9.406 1.00 0.00 C ATOM 404 CD1 ILE A 51 -2.832 4.827 6.782 1.00 0.00 C ATOM 0 H ILE A 51 -0.179 2.679 9.703 1.00 0.00 H new ATOM 0 HA ILE A 51 0.329 5.562 9.361 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.323 4.071 9.415 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.855 5.522 7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.049 3.786 7.318 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.312 6.276 8.913 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.478 6.277 10.485 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.707 7.029 9.069 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.641 4.722 5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.497 4.029 7.112 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.301 5.792 6.973 1.00 0.00 H new ATOM 416 N ASN A 52 0.306 5.833 11.829 1.00 0.00 N ATOM 417 CA ASN A 52 0.271 6.151 13.262 1.00 0.00 C ATOM 418 C ASN A 52 0.749 4.962 14.092 1.00 0.00 C ATOM 419 O ASN A 52 1.912 4.902 14.491 1.00 0.00 O ATOM 420 CB ASN A 52 -1.133 6.590 13.697 1.00 0.00 C ATOM 421 CG ASN A 52 -1.149 7.244 15.069 1.00 0.00 C ATOM 422 OD1 ASN A 52 -1.207 6.564 16.092 1.00 0.00 O ATOM 423 ND2 ASN A 52 -1.137 8.570 15.096 1.00 0.00 N ATOM 0 H ASN A 52 0.997 6.375 11.310 1.00 0.00 H new ATOM 0 HA ASN A 52 0.951 6.985 13.437 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.534 7.288 12.962 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.793 5.723 13.706 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.177 9.062 15.988 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.088 9.097 14.224 1.00 0.00 H new ATOM 430 N GLY A 53 -0.143 4.011 14.331 1.00 0.00 N ATOM 431 CA GLY A 53 0.224 2.814 15.055 1.00 0.00 C ATOM 432 C GLY A 53 -0.289 1.564 14.371 1.00 0.00 C ATOM 433 O GLY A 53 0.024 0.447 14.781 1.00 0.00 O ATOM 0 H GLY A 53 -1.118 4.049 14.034 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.309 2.761 15.143 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.176 2.865 16.068 1.00 0.00 H new ATOM 437 N MET A 54 -1.066 1.758 13.311 1.00 0.00 N ATOM 438 CA MET A 54 -1.680 0.653 12.591 1.00 0.00 C ATOM 439 C MET A 54 -1.069 0.518 11.204 1.00 0.00 C ATOM 440 O MET A 54 -1.185 1.420 10.375 1.00 0.00 O ATOM 441 CB MET A 54 -3.189 0.870 12.473 1.00 0.00 C ATOM 442 CG MET A 54 -3.917 0.853 13.806 1.00 0.00 C ATOM 443 SD MET A 54 -5.671 1.252 13.649 1.00 0.00 S ATOM 444 CE MET A 54 -5.585 2.906 12.965 1.00 0.00 C ATOM 0 H MET A 54 -1.286 2.679 12.931 1.00 0.00 H new ATOM 0 HA MET A 54 -1.496 -0.265 13.149 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.372 1.826 11.982 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.609 0.096 11.830 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.812 -0.133 14.260 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.446 1.567 14.482 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.496 3.451 13.214 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.724 3.428 13.383 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.482 2.847 11.881 1.00 0.00 H new ATOM 454 N PRO A 55 -0.382 -0.597 10.940 1.00 0.00 N ATOM 455 CA PRO A 55 0.199 -0.860 9.633 1.00 0.00 C ATOM 456 C PRO A 55 -0.842 -1.357 8.634 1.00 0.00 C ATOM 457 O PRO A 55 -1.636 -2.250 8.936 1.00 0.00 O ATOM 458 CB PRO A 55 1.234 -1.937 9.923 1.00 0.00 C ATOM 459 CG PRO A 55 0.695 -2.678 11.103 1.00 0.00 C ATOM 460 CD PRO A 55 -0.110 -1.682 11.900 1.00 0.00 C ATOM 0 HA PRO A 55 0.621 0.036 9.177 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.366 -2.599 9.067 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.208 -1.500 10.142 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.073 -3.515 10.785 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.504 -3.093 11.704 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.033 -2.124 12.276 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.446 -1.320 12.765 1.00 0.00 H new ATOM 468 N THR A 56 -0.840 -0.773 7.448 1.00 0.00 N ATOM 469 CA THR A 56 -1.808 -1.119 6.421 1.00 0.00 C ATOM 470 C THR A 56 -1.257 -2.166 5.456 1.00 0.00 C ATOM 471 O THR A 56 -0.435 -1.861 4.590 1.00 0.00 O ATOM 472 CB THR A 56 -2.240 0.131 5.642 1.00 0.00 C ATOM 473 OG1 THR A 56 -1.097 0.965 5.412 1.00 0.00 O ATOM 474 CG2 THR A 56 -3.304 0.909 6.405 1.00 0.00 C ATOM 0 H THR A 56 -0.174 -0.052 7.171 1.00 0.00 H new ATOM 0 HA THR A 56 -2.675 -1.546 6.925 1.00 0.00 H new ATOM 0 HB THR A 56 -2.667 -0.182 4.689 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.370 1.763 4.913 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.592 1.790 5.831 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.177 0.275 6.560 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.905 1.220 7.371 1.00 0.00 H new ATOM 482 N SER A 57 -1.705 -3.400 5.629 1.00 0.00 N ATOM 483 CA SER A 57 -1.282 -4.504 4.780 1.00 0.00 C ATOM 484 C SER A 57 -2.263 -4.695 3.622 1.00 0.00 C ATOM 485 O SER A 57 -1.908 -5.218 2.565 1.00 0.00 O ATOM 486 CB SER A 57 -1.183 -5.783 5.625 1.00 0.00 C ATOM 487 OG SER A 57 -0.688 -6.876 4.876 1.00 0.00 O ATOM 0 H SER A 57 -2.368 -3.664 6.357 1.00 0.00 H new ATOM 0 HA SER A 57 -0.303 -4.280 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.530 -5.604 6.479 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.167 -6.032 6.023 1.00 0.00 H new ATOM 0 HG SER A 57 -0.829 -6.709 3.921 1.00 0.00 H new ATOM 493 N ASN A 58 -3.495 -4.254 3.813 1.00 0.00 N ATOM 494 CA ASN A 58 -4.513 -4.402 2.785 1.00 0.00 C ATOM 495 C ASN A 58 -5.266 -3.093 2.592 1.00 0.00 C ATOM 496 O ASN A 58 -5.036 -2.123 3.313 1.00 0.00 O ATOM 497 CB ASN A 58 -5.487 -5.522 3.159 1.00 0.00 C ATOM 498 CG ASN A 58 -6.294 -6.011 1.974 1.00 0.00 C ATOM 499 OD1 ASN A 58 -7.400 -5.540 1.722 1.00 0.00 O ATOM 500 ND2 ASN A 58 -5.727 -6.938 1.227 1.00 0.00 N ATOM 0 H ASN A 58 -3.814 -3.793 4.665 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.023 -4.663 1.847 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.929 -6.357 3.584 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.166 -5.165 3.934 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.209 -7.293 0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.806 -7.300 1.475 1.00 0.00 H new ATOM 507 N LEU A 59 -6.165 -3.074 1.628 1.00 0.00 N ATOM 508 CA LEU A 59 -6.937 -1.899 1.318 1.00 0.00 C ATOM 509 C LEU A 59 -8.120 -1.764 2.275 1.00 0.00 C ATOM 510 O LEU A 59 -8.518 -0.656 2.631 1.00 0.00 O ATOM 511 CB LEU A 59 -7.416 -1.997 -0.125 1.00 0.00 C ATOM 512 CG LEU A 59 -6.309 -2.050 -1.180 1.00 0.00 C ATOM 513 CD1 LEU A 59 -6.905 -2.213 -2.568 1.00 0.00 C ATOM 514 CD2 LEU A 59 -5.445 -0.802 -1.116 1.00 0.00 C ATOM 0 H LEU A 59 -6.377 -3.879 1.039 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.317 -1.010 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.034 -2.889 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.056 -1.141 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.678 -2.914 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.104 -2.249 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.480 -3.138 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.560 -1.369 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.664 -0.861 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.062 0.078 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.987 -0.726 -0.130 1.00 0.00 H new ATOM 526 N THR A 60 -8.668 -2.897 2.707 1.00 0.00 N ATOM 527 CA THR A 60 -9.794 -2.895 3.632 1.00 0.00 C ATOM 528 C THR A 60 -9.387 -2.309 4.982 1.00 0.00 C ATOM 529 O THR A 60 -10.108 -1.500 5.563 1.00 0.00 O ATOM 530 CB THR A 60 -10.332 -4.320 3.848 1.00 0.00 C ATOM 531 OG1 THR A 60 -10.312 -5.042 2.612 1.00 0.00 O ATOM 532 CG2 THR A 60 -11.754 -4.287 4.394 1.00 0.00 C ATOM 0 H THR A 60 -8.350 -3.826 2.431 1.00 0.00 H new ATOM 0 HA THR A 60 -10.576 -2.278 3.190 1.00 0.00 H new ATOM 0 HB THR A 60 -9.691 -4.819 4.574 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.654 -5.949 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.112 -5.306 4.538 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.765 -3.760 5.348 1.00 0.00 H new ATOM 0 HG23 THR A 60 -12.403 -3.771 3.687 1.00 0.00 H new ATOM 540 N THR A 61 -8.216 -2.711 5.466 1.00 0.00 N ATOM 541 CA THR A 61 -7.713 -2.225 6.741 1.00 0.00 C ATOM 542 C THR A 61 -7.385 -0.732 6.643 1.00 0.00 C ATOM 543 O THR A 61 -7.432 -0.004 7.635 1.00 0.00 O ATOM 544 CB THR A 61 -6.470 -3.025 7.199 1.00 0.00 C ATOM 545 OG1 THR A 61 -6.146 -2.711 8.555 1.00 0.00 O ATOM 546 CG2 THR A 61 -5.268 -2.736 6.315 1.00 0.00 C ATOM 0 H THR A 61 -7.600 -3.372 4.993 1.00 0.00 H new ATOM 0 HA THR A 61 -8.492 -2.368 7.489 1.00 0.00 H new ATOM 0 HB THR A 61 -6.715 -4.084 7.118 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.359 -3.226 8.831 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.412 -3.314 6.664 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.498 -3.013 5.286 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.031 -1.673 6.360 1.00 0.00 H new ATOM 554 N TYR A 62 -7.069 -0.285 5.431 1.00 0.00 N ATOM 555 CA TYR A 62 -6.875 1.132 5.160 1.00 0.00 C ATOM 556 C TYR A 62 -8.200 1.871 5.281 1.00 0.00 C ATOM 557 O TYR A 62 -8.290 2.914 5.928 1.00 0.00 O ATOM 558 CB TYR A 62 -6.288 1.322 3.759 1.00 0.00 C ATOM 559 CG TYR A 62 -6.424 2.732 3.220 1.00 0.00 C ATOM 560 CD1 TYR A 62 -5.570 3.748 3.636 1.00 0.00 C ATOM 561 CD2 TYR A 62 -7.411 3.044 2.293 1.00 0.00 C ATOM 562 CE1 TYR A 62 -5.704 5.035 3.144 1.00 0.00 C ATOM 563 CE2 TYR A 62 -7.549 4.325 1.800 1.00 0.00 C ATOM 564 CZ TYR A 62 -6.694 5.315 2.225 1.00 0.00 C ATOM 565 OH TYR A 62 -6.834 6.588 1.727 1.00 0.00 O ATOM 0 H TYR A 62 -6.942 -0.889 4.619 1.00 0.00 H new ATOM 0 HA TYR A 62 -6.177 1.541 5.891 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.232 1.052 3.779 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.781 0.633 3.073 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.792 3.530 4.352 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.082 2.270 1.952 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -5.037 5.816 3.478 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -8.325 4.550 1.083 1.00 0.00 H new ATOM 0 HH TYR A 62 -7.579 6.610 1.090 1.00 0.00 H new ATOM 575 N SER A 63 -9.222 1.314 4.652 1.00 0.00 N ATOM 576 CA SER A 63 -10.553 1.894 4.678 1.00 0.00 C ATOM 577 C SER A 63 -11.074 1.966 6.114 1.00 0.00 C ATOM 578 O SER A 63 -11.697 2.953 6.513 1.00 0.00 O ATOM 579 CB SER A 63 -11.501 1.062 3.803 1.00 0.00 C ATOM 580 OG SER A 63 -12.710 1.757 3.542 1.00 0.00 O ATOM 0 H SER A 63 -9.152 0.452 4.112 1.00 0.00 H new ATOM 0 HA SER A 63 -10.506 2.908 4.280 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.009 0.818 2.861 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.723 0.118 4.300 1.00 0.00 H new ATOM 0 HG SER A 63 -13.292 1.202 2.982 1.00 0.00 H new ATOM 586 N ALA A 64 -10.799 0.920 6.888 1.00 0.00 N ATOM 587 CA ALA A 64 -11.198 0.877 8.287 1.00 0.00 C ATOM 588 C ALA A 64 -10.394 1.870 9.120 1.00 0.00 C ATOM 589 O ALA A 64 -10.895 2.424 10.099 1.00 0.00 O ATOM 590 CB ALA A 64 -11.039 -0.532 8.835 1.00 0.00 C ATOM 0 H ALA A 64 -10.300 0.090 6.567 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.248 1.162 8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.341 -0.551 9.882 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.666 -1.217 8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.996 -0.839 8.752 1.00 0.00 H new ATOM 596 N ALA A 65 -9.147 2.096 8.724 1.00 0.00 N ATOM 597 CA ALA A 65 -8.291 3.050 9.412 1.00 0.00 C ATOM 598 C ALA A 65 -8.786 4.468 9.179 1.00 0.00 C ATOM 599 O ALA A 65 -8.919 5.252 10.116 1.00 0.00 O ATOM 600 CB ALA A 65 -6.847 2.909 8.952 1.00 0.00 C ATOM 0 H ALA A 65 -8.708 1.631 7.930 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.331 2.838 10.480 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.225 3.632 9.479 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.493 1.901 9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.787 3.093 7.879 1.00 0.00 H new ATOM 606 N LEU A 66 -9.086 4.775 7.922 1.00 0.00 N ATOM 607 CA LEU A 66 -9.587 6.074 7.529 1.00 0.00 C ATOM 608 C LEU A 66 -10.871 6.395 8.280 1.00 0.00 C ATOM 609 O LEU A 66 -11.109 7.533 8.687 1.00 0.00 O ATOM 610 CB LEU A 66 -9.862 6.058 6.032 1.00 0.00 C ATOM 611 CG LEU A 66 -9.687 7.398 5.344 1.00 0.00 C ATOM 612 CD1 LEU A 66 -8.212 7.751 5.233 1.00 0.00 C ATOM 613 CD2 LEU A 66 -10.351 7.391 3.976 1.00 0.00 C ATOM 0 H LEU A 66 -8.985 4.120 7.146 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.846 6.837 7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.198 5.333 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.882 5.710 5.867 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.174 8.163 5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.105 8.716 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.775 7.805 6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.697 6.985 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.213 8.362 3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.900 6.616 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.416 7.190 4.090 1.00 0.00 H new ATOM 625 N LYS A 67 -11.690 5.366 8.456 1.00 0.00 N ATOM 626 CA LYS A 67 -12.950 5.474 9.181 1.00 0.00 C ATOM 627 C LYS A 67 -12.739 5.980 10.612 1.00 0.00 C ATOM 628 O LYS A 67 -13.531 6.774 11.122 1.00 0.00 O ATOM 629 CB LYS A 67 -13.637 4.104 9.210 1.00 0.00 C ATOM 630 CG LYS A 67 -14.963 4.092 9.947 1.00 0.00 C ATOM 631 CD LYS A 67 -15.511 2.682 10.086 1.00 0.00 C ATOM 632 CE LYS A 67 -15.808 2.056 8.731 1.00 0.00 C ATOM 633 NZ LYS A 67 -16.389 0.693 8.865 1.00 0.00 N ATOM 0 H LYS A 67 -11.499 4.430 8.099 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.579 6.198 8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.800 3.769 8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.967 3.383 9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.835 4.533 10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.683 4.712 9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.791 2.063 10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.422 2.703 10.684 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.500 2.693 8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.890 2.003 8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.577 0.301 7.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.718 0.078 9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.279 0.746 9.401 1.00 0.00 H new ATOM 647 N THR A 68 -11.664 5.525 11.247 1.00 0.00 N ATOM 648 CA THR A 68 -11.397 5.859 12.642 1.00 0.00 C ATOM 649 C THR A 68 -10.628 7.176 12.796 1.00 0.00 C ATOM 650 O THR A 68 -10.527 7.716 13.899 1.00 0.00 O ATOM 651 CB THR A 68 -10.635 4.721 13.348 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.535 4.280 12.541 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.559 3.546 13.632 1.00 0.00 C ATOM 0 H THR A 68 -10.962 4.923 10.817 1.00 0.00 H new ATOM 0 HA THR A 68 -12.369 5.988 13.117 1.00 0.00 H new ATOM 0 HB THR A 68 -10.256 5.108 14.294 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.342 4.953 11.855 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.999 2.755 14.131 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.376 3.873 14.275 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.965 3.167 12.694 1.00 0.00 H new ATOM 661 N ILE A 69 -10.079 7.689 11.703 1.00 0.00 N ATOM 662 CA ILE A 69 -9.320 8.935 11.759 1.00 0.00 C ATOM 663 C ILE A 69 -10.271 10.127 11.868 1.00 0.00 C ATOM 664 O ILE A 69 -11.337 10.140 11.249 1.00 0.00 O ATOM 665 CB ILE A 69 -8.413 9.116 10.517 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.519 7.890 10.299 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.554 10.368 10.658 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.634 7.560 11.482 1.00 0.00 C ATOM 0 H ILE A 69 -10.143 7.269 10.776 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.682 8.885 12.641 1.00 0.00 H new ATOM 0 HB ILE A 69 -9.061 9.227 9.648 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.148 7.028 10.077 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.891 8.061 9.424 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.924 10.478 9.776 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.198 11.242 10.755 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.925 10.280 11.544 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.032 6.681 11.252 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.978 8.405 11.692 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.254 7.356 12.355 1.00 0.00 H new ATOM 680 N SER A 70 -9.899 11.114 12.669 1.00 0.00 N ATOM 681 CA SER A 70 -10.715 12.305 12.842 1.00 0.00 C ATOM 682 C SER A 70 -10.271 13.408 11.887 1.00 0.00 C ATOM 683 O SER A 70 -9.160 13.366 11.357 1.00 0.00 O ATOM 684 CB SER A 70 -10.607 12.789 14.284 1.00 0.00 C ATOM 685 OG SER A 70 -10.723 11.699 15.183 1.00 0.00 O ATOM 0 H SER A 70 -9.035 11.113 13.211 1.00 0.00 H new ATOM 0 HA SER A 70 -11.752 12.056 12.617 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.652 13.292 14.434 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.389 13.521 14.488 1.00 0.00 H new ATOM 0 HG SER A 70 -9.829 11.394 15.444 1.00 0.00 H new ATOM 691 N VAL A 71 -11.141 14.385 11.662 1.00 0.00 N ATOM 692 CA VAL A 71 -10.809 15.527 10.820 1.00 0.00 C ATOM 693 C VAL A 71 -10.037 16.552 11.637 1.00 0.00 C ATOM 694 O VAL A 71 -10.553 17.075 12.625 1.00 0.00 O ATOM 695 CB VAL A 71 -12.069 16.208 10.252 1.00 0.00 C ATOM 696 CG1 VAL A 71 -11.736 16.991 8.989 1.00 0.00 C ATOM 697 CG2 VAL A 71 -13.159 15.186 9.992 1.00 0.00 C ATOM 0 H VAL A 71 -12.083 14.409 12.052 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.209 15.157 9.988 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.442 16.914 10.994 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.640 17.464 8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.996 17.757 9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.333 16.313 8.236 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.040 15.688 9.591 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.802 14.449 9.273 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.419 14.686 10.925 1.00 0.00 H new ATOM 707 N GLY A 72 -8.811 16.825 11.236 1.00 0.00 N ATOM 708 CA GLY A 72 -7.966 17.714 12.007 1.00 0.00 C ATOM 709 C GLY A 72 -7.040 16.937 12.910 1.00 0.00 C ATOM 710 O GLY A 72 -6.349 17.504 13.756 1.00 0.00 O ATOM 0 H GLY A 72 -8.382 16.449 10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.381 18.340 11.333 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.586 18.382 12.605 1.00 0.00 H new ATOM 714 N GLU A 73 -7.024 15.625 12.719 1.00 0.00 N ATOM 715 CA GLU A 73 -6.178 14.746 13.503 1.00 0.00 C ATOM 716 C GLU A 73 -4.833 14.604 12.815 1.00 0.00 C ATOM 717 O GLU A 73 -4.753 14.610 11.585 1.00 0.00 O ATOM 718 CB GLU A 73 -6.834 13.377 13.660 1.00 0.00 C ATOM 719 CG GLU A 73 -6.236 12.519 14.762 1.00 0.00 C ATOM 720 CD GLU A 73 -6.898 11.158 14.859 1.00 0.00 C ATOM 721 OE1 GLU A 73 -8.131 11.102 15.050 1.00 0.00 O ATOM 722 OE2 GLU A 73 -6.191 10.136 14.763 1.00 0.00 O ATOM 0 H GLU A 73 -7.593 15.146 12.021 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.037 15.174 14.495 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.896 13.517 13.861 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.756 12.840 12.715 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.169 12.389 14.579 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.335 13.037 15.716 1.00 0.00 H new ATOM 729 N VAL A 74 -3.788 14.484 13.600 1.00 0.00 N ATOM 730 CA VAL A 74 -2.446 14.366 13.057 1.00 0.00 C ATOM 731 C VAL A 74 -2.044 12.902 12.972 1.00 0.00 C ATOM 732 O VAL A 74 -1.872 12.234 13.993 1.00 0.00 O ATOM 733 CB VAL A 74 -1.416 15.130 13.914 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.029 15.077 13.281 1.00 0.00 C ATOM 735 CG2 VAL A 74 -1.856 16.570 14.114 1.00 0.00 C ATOM 0 H VAL A 74 -3.837 14.465 14.619 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.455 14.807 12.060 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.360 14.645 14.888 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.677 15.624 13.906 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.292 14.039 13.194 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.064 15.531 12.291 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.118 17.095 14.721 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.945 17.061 13.145 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.821 16.589 14.620 1.00 0.00 H new ATOM 745 N ILE A 75 -1.901 12.405 11.756 1.00 0.00 N ATOM 746 CA ILE A 75 -1.564 11.011 11.548 1.00 0.00 C ATOM 747 C ILE A 75 -0.143 10.866 11.035 1.00 0.00 C ATOM 748 O ILE A 75 0.405 11.774 10.409 1.00 0.00 O ATOM 749 CB ILE A 75 -2.538 10.315 10.578 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.635 11.088 9.258 1.00 0.00 C ATOM 751 CG2 ILE A 75 -3.902 10.181 11.232 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.460 10.383 8.204 1.00 0.00 C ATOM 0 H ILE A 75 -2.013 12.947 10.899 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.648 10.522 12.519 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.160 9.319 10.349 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.069 12.069 9.452 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.630 11.255 8.870 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.589 9.688 10.544 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.813 9.588 12.142 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.285 11.171 11.481 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.485 10.987 7.297 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.014 9.413 7.982 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.476 10.240 8.573 1.00 0.00 H new ATOM 764 N ASN A 76 0.433 9.715 11.304 1.00 0.00 N ATOM 765 CA ASN A 76 1.813 9.432 10.952 1.00 0.00 C ATOM 766 C ASN A 76 1.861 8.413 9.826 1.00 0.00 C ATOM 767 O ASN A 76 1.472 7.265 10.004 1.00 0.00 O ATOM 768 CB ASN A 76 2.540 8.898 12.192 1.00 0.00 C ATOM 769 CG ASN A 76 3.995 8.521 11.963 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.411 8.159 10.864 1.00 0.00 O ATOM 771 ND2 ASN A 76 4.775 8.576 13.027 1.00 0.00 N ATOM 0 H ASN A 76 -0.041 8.944 11.775 1.00 0.00 H new ATOM 0 HA ASN A 76 2.304 10.343 10.609 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.494 9.653 12.977 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.006 8.022 12.561 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.758 8.313 12.953 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.395 8.881 13.923 1.00 0.00 H new ATOM 778 N ILE A 77 2.319 8.835 8.671 1.00 0.00 N ATOM 779 CA ILE A 77 2.491 7.928 7.556 1.00 0.00 C ATOM 780 C ILE A 77 3.965 7.616 7.395 1.00 0.00 C ATOM 781 O ILE A 77 4.751 8.443 6.926 1.00 0.00 O ATOM 782 CB ILE A 77 1.924 8.518 6.247 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.446 8.885 6.434 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.081 7.523 5.103 1.00 0.00 C ATOM 785 CD1 ILE A 77 -0.155 9.636 5.265 1.00 0.00 C ATOM 0 H ILE A 77 2.580 9.802 8.477 1.00 0.00 H new ATOM 0 HA ILE A 77 1.937 7.013 7.766 1.00 0.00 H new ATOM 0 HB ILE A 77 2.483 9.420 5.998 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.126 7.972 6.599 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.344 9.492 7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.676 7.954 4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.138 7.296 4.961 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.542 6.606 5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.201 9.858 5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.390 10.567 5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.087 9.024 4.366 1.00 0.00 H new ATOM 797 N THR A 78 4.341 6.436 7.829 1.00 0.00 N ATOM 798 CA THR A 78 5.716 6.006 7.744 1.00 0.00 C ATOM 799 C THR A 78 5.952 5.319 6.408 1.00 0.00 C ATOM 800 O THR A 78 5.291 4.337 6.088 1.00 0.00 O ATOM 801 CB THR A 78 6.056 5.049 8.901 1.00 0.00 C ATOM 802 OG1 THR A 78 5.700 5.658 10.154 1.00 0.00 O ATOM 803 CG2 THR A 78 7.536 4.693 8.903 1.00 0.00 C ATOM 0 H THR A 78 3.709 5.753 8.247 1.00 0.00 H new ATOM 0 HA THR A 78 6.365 6.878 7.821 1.00 0.00 H new ATOM 0 HB THR A 78 5.486 4.130 8.764 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.286 6.531 9.988 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.746 4.016 9.731 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.795 4.207 7.962 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.128 5.601 9.017 1.00 0.00 H new ATOM 811 N THR A 79 6.866 5.856 5.618 1.00 0.00 N ATOM 812 CA THR A 79 7.173 5.275 4.324 1.00 0.00 C ATOM 813 C THR A 79 8.523 4.576 4.368 1.00 0.00 C ATOM 814 O THR A 79 9.263 4.703 5.346 1.00 0.00 O ATOM 815 CB THR A 79 7.174 6.339 3.204 1.00 0.00 C ATOM 816 OG1 THR A 79 8.154 7.347 3.479 1.00 0.00 O ATOM 817 CG2 THR A 79 5.802 6.986 3.065 1.00 0.00 C ATOM 0 H THR A 79 7.406 6.690 5.849 1.00 0.00 H new ATOM 0 HA THR A 79 6.392 4.549 4.098 1.00 0.00 H new ATOM 0 HB THR A 79 7.421 5.840 2.267 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.415 7.301 4.423 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.830 7.731 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.063 6.223 2.821 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.530 7.468 4.004 1.00 0.00 H new ATOM 825 N ASP A 80 8.847 3.851 3.306 1.00 0.00 N ATOM 826 CA ASP A 80 10.114 3.125 3.222 1.00 0.00 C ATOM 827 C ASP A 80 11.303 4.085 3.274 1.00 0.00 C ATOM 828 O ASP A 80 12.413 3.701 3.640 1.00 0.00 O ATOM 829 CB ASP A 80 10.171 2.322 1.919 1.00 0.00 C ATOM 830 CG ASP A 80 11.339 1.351 1.865 1.00 0.00 C ATOM 831 OD1 ASP A 80 11.227 0.243 2.441 1.00 0.00 O ATOM 832 OD2 ASP A 80 12.362 1.672 1.221 1.00 0.00 O ATOM 0 H ASP A 80 8.249 3.748 2.486 1.00 0.00 H new ATOM 0 HA ASP A 80 10.172 2.450 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.240 1.768 1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.241 3.011 1.078 1.00 0.00 H new ATOM 837 N GLN A 81 11.062 5.339 2.922 1.00 0.00 N ATOM 838 CA GLN A 81 12.141 6.304 2.782 1.00 0.00 C ATOM 839 C GLN A 81 12.026 7.456 3.771 1.00 0.00 C ATOM 840 O GLN A 81 12.663 8.495 3.591 1.00 0.00 O ATOM 841 CB GLN A 81 12.162 6.842 1.355 1.00 0.00 C ATOM 842 CG GLN A 81 12.566 5.803 0.319 1.00 0.00 C ATOM 843 CD GLN A 81 12.519 6.337 -1.095 1.00 0.00 C ATOM 844 OE1 GLN A 81 12.316 5.590 -2.051 1.00 0.00 O ATOM 845 NE2 GLN A 81 12.681 7.639 -1.237 1.00 0.00 N ATOM 0 H GLN A 81 10.132 5.711 2.729 1.00 0.00 H new ATOM 0 HA GLN A 81 13.074 5.786 3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 81 11.173 7.226 1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.853 7.683 1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.575 5.452 0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.905 4.940 0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.847 8.224 -0.419 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.640 8.060 -2.165 1.00 0.00 H new ATOM 854 N GLY A 82 11.239 7.275 4.821 1.00 0.00 N ATOM 855 CA GLY A 82 11.123 8.315 5.826 1.00 0.00 C ATOM 856 C GLY A 82 9.785 8.330 6.537 1.00 0.00 C ATOM 857 O GLY A 82 8.811 7.734 6.072 1.00 0.00 O ATOM 0 H GLY A 82 10.684 6.437 4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.915 8.185 6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.284 9.284 5.353 1.00 0.00 H new ATOM 861 N THR A 83 9.737 9.021 7.665 1.00 0.00 N ATOM 862 CA THR A 83 8.524 9.120 8.464 1.00 0.00 C ATOM 863 C THR A 83 7.924 10.518 8.334 1.00 0.00 C ATOM 864 O THR A 83 8.656 11.510 8.354 1.00 0.00 O ATOM 865 CB THR A 83 8.834 8.851 9.948 1.00 0.00 C ATOM 866 OG1 THR A 83 9.738 7.747 10.066 1.00 0.00 O ATOM 867 CG2 THR A 83 7.565 8.553 10.731 1.00 0.00 C ATOM 0 H THR A 83 10.534 9.527 8.052 1.00 0.00 H new ATOM 0 HA THR A 83 7.815 8.377 8.100 1.00 0.00 H new ATOM 0 HB THR A 83 9.292 9.749 10.363 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.932 7.583 11.012 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.817 8.367 11.775 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.889 9.406 10.667 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.078 7.672 10.313 1.00 0.00 H new ATOM 875 N PHE A 84 6.607 10.607 8.186 1.00 0.00 N ATOM 876 CA PHE A 84 5.945 11.903 8.100 1.00 0.00 C ATOM 877 C PHE A 84 4.704 11.923 8.977 1.00 0.00 C ATOM 878 O PHE A 84 4.043 10.904 9.151 1.00 0.00 O ATOM 879 CB PHE A 84 5.536 12.223 6.658 1.00 0.00 C ATOM 880 CG PHE A 84 6.609 11.970 5.635 1.00 0.00 C ATOM 881 CD1 PHE A 84 7.636 12.883 5.446 1.00 0.00 C ATOM 882 CD2 PHE A 84 6.588 10.821 4.858 1.00 0.00 C ATOM 883 CE1 PHE A 84 8.620 12.653 4.503 1.00 0.00 C ATOM 884 CE2 PHE A 84 7.570 10.588 3.914 1.00 0.00 C ATOM 885 CZ PHE A 84 8.586 11.507 3.737 1.00 0.00 C ATOM 0 H PHE A 84 5.981 9.804 8.123 1.00 0.00 H new ATOM 0 HA PHE A 84 6.655 12.655 8.444 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.660 11.628 6.402 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.238 13.270 6.602 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.667 13.783 6.042 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.795 10.100 4.992 1.00 0.00 H new ATOM 0 HE1 PHE A 84 9.415 13.371 4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.543 9.689 3.316 1.00 0.00 H new ATOM 0 HZ PHE A 84 9.354 11.328 2.999 1.00 0.00 H new ATOM 895 N HIS A 85 4.393 13.080 9.529 1.00 0.00 N ATOM 896 CA HIS A 85 3.164 13.257 10.283 1.00 0.00 C ATOM 897 C HIS A 85 2.434 14.504 9.807 1.00 0.00 C ATOM 898 O HIS A 85 2.984 15.605 9.814 1.00 0.00 O ATOM 899 CB HIS A 85 3.416 13.301 11.800 1.00 0.00 C ATOM 900 CG HIS A 85 4.541 14.184 12.252 1.00 0.00 C ATOM 901 ND1 HIS A 85 5.724 13.690 12.756 1.00 0.00 N ATOM 902 CD2 HIS A 85 4.643 15.532 12.319 1.00 0.00 C ATOM 903 CE1 HIS A 85 6.503 14.694 13.109 1.00 0.00 C ATOM 904 NE2 HIS A 85 5.872 15.824 12.857 1.00 0.00 N ATOM 0 H HIS A 85 4.976 13.915 9.470 1.00 0.00 H new ATOM 0 HA HIS A 85 2.531 12.389 10.099 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.501 13.631 12.291 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.615 12.286 12.145 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.895 16.246 12.007 1.00 0.00 H new ATOM 0 HE1 HIS A 85 7.492 14.605 13.533 1.00 0.00 H new ATOM 0 HE2 HIS A 85 6.237 16.760 13.033 1.00 0.00 H new ATOM 913 N LEU A 86 1.201 14.313 9.377 1.00 0.00 N ATOM 914 CA LEU A 86 0.425 15.367 8.766 1.00 0.00 C ATOM 915 C LEU A 86 -0.958 15.461 9.390 1.00 0.00 C ATOM 916 O LEU A 86 -1.461 14.489 9.956 1.00 0.00 O ATOM 917 CB LEU A 86 0.286 15.125 7.263 1.00 0.00 C ATOM 918 CG LEU A 86 -0.260 13.752 6.851 1.00 0.00 C ATOM 919 CD1 LEU A 86 -0.863 13.828 5.458 1.00 0.00 C ATOM 920 CD2 LEU A 86 0.842 12.698 6.881 1.00 0.00 C ATOM 0 H LEU A 86 0.712 13.420 9.443 1.00 0.00 H new ATOM 0 HA LEU A 86 0.952 16.306 8.936 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.368 15.893 6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.264 15.258 6.802 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.033 13.464 7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.248 12.849 5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.677 14.553 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.097 14.137 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.431 11.733 6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.636 12.982 6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.249 12.625 7.890 1.00 0.00 H new ATOM 932 N LYS A 87 -1.566 16.631 9.273 1.00 0.00 N ATOM 933 CA LYS A 87 -2.917 16.848 9.773 1.00 0.00 C ATOM 934 C LYS A 87 -3.933 16.568 8.671 1.00 0.00 C ATOM 935 O LYS A 87 -3.773 17.030 7.538 1.00 0.00 O ATOM 936 CB LYS A 87 -3.080 18.286 10.269 1.00 0.00 C ATOM 937 CG LYS A 87 -4.457 18.587 10.838 1.00 0.00 C ATOM 938 CD LYS A 87 -4.693 20.082 10.965 1.00 0.00 C ATOM 939 CE LYS A 87 -4.630 20.762 9.607 1.00 0.00 C ATOM 940 NZ LYS A 87 -4.914 22.216 9.692 1.00 0.00 N ATOM 0 H LYS A 87 -1.144 17.449 8.834 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.090 16.166 10.606 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.330 18.483 11.035 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.881 18.970 9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.221 18.151 10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.558 18.117 11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.666 20.262 11.421 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.945 20.517 11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.641 20.612 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.348 20.292 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.860 22.636 8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.868 22.361 10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.214 22.671 10.312 1.00 0.00 H new ATOM 954 N THR A 88 -4.968 15.810 9.002 1.00 0.00 N ATOM 955 CA THR A 88 -6.008 15.478 8.039 1.00 0.00 C ATOM 956 C THR A 88 -6.909 16.679 7.750 1.00 0.00 C ATOM 957 O THR A 88 -7.208 17.475 8.645 1.00 0.00 O ATOM 958 CB THR A 88 -6.873 14.312 8.547 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.340 14.592 9.873 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.087 13.009 8.541 1.00 0.00 C ATOM 0 H THR A 88 -5.110 15.413 9.931 1.00 0.00 H new ATOM 0 HA THR A 88 -5.506 15.185 7.117 1.00 0.00 H new ATOM 0 HB THR A 88 -7.726 14.202 7.878 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.916 13.861 10.178 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.721 12.200 8.904 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.760 12.786 7.525 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.216 13.107 9.189 1.00 0.00 H new ATOM 968 N GLY A 89 -7.340 16.806 6.499 1.00 0.00 N ATOM 969 CA GLY A 89 -8.236 17.882 6.126 1.00 0.00 C ATOM 970 C GLY A 89 -9.032 17.558 4.884 1.00 0.00 C ATOM 971 O GLY A 89 -8.492 17.505 3.781 1.00 0.00 O ATOM 0 H GLY A 89 -7.083 16.180 5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.919 18.086 6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.659 18.791 5.958 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.968 12.672 7.327 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.522 12.532 7.411 1.00 0.00 C ATOM 1103 C ALA A 98 -9.941 12.031 6.095 1.00 0.00 C ATOM 1104 O ALA A 98 -10.148 10.882 5.713 1.00 0.00 O ATOM 1105 CB ALA A 98 -10.144 11.593 8.539 1.00 0.00 C ATOM 0 HA ALA A 98 -10.103 13.517 7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.059 11.500 8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.516 11.990 9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.584 10.612 8.359 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.227 12.903 5.400 1.00 0.00 N ATOM 1112 CA TYR A 99 -8.590 12.542 4.142 1.00 0.00 C ATOM 1113 C TYR A 99 -7.276 13.304 4.006 1.00 0.00 C ATOM 1114 O TYR A 99 -7.222 14.501 4.294 1.00 0.00 O ATOM 1115 CB TYR A 99 -9.526 12.880 2.979 1.00 0.00 C ATOM 1116 CG TYR A 99 -9.357 12.019 1.749 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -10.067 10.834 1.615 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -8.513 12.401 0.716 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -9.937 10.050 0.486 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -8.376 11.621 -0.416 1.00 0.00 C ATOM 1121 CZ TYR A 99 -9.091 10.447 -0.526 1.00 0.00 C ATOM 1122 OH TYR A 99 -8.958 9.667 -1.655 1.00 0.00 O ATOM 0 H TYR A 99 -9.073 13.870 5.687 1.00 0.00 H new ATOM 0 HA TYR A 99 -8.383 11.472 4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -10.556 12.794 3.325 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -9.370 13.922 2.699 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -10.732 10.520 2.406 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -7.955 13.322 0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -10.496 9.130 0.397 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -7.712 11.929 -1.211 1.00 0.00 H new ATOM 0 HH TYR A 99 -8.324 10.090 -2.272 1.00 0.00 H new ATOM 1132 N MET A 100 -6.217 12.613 3.608 1.00 0.00 N ATOM 1133 CA MET A 100 -4.916 13.254 3.437 1.00 0.00 C ATOM 1134 C MET A 100 -4.711 13.693 1.992 1.00 0.00 C ATOM 1135 O MET A 100 -4.038 14.686 1.734 1.00 0.00 O ATOM 1136 CB MET A 100 -3.771 12.336 3.894 1.00 0.00 C ATOM 1137 CG MET A 100 -3.643 11.032 3.118 1.00 0.00 C ATOM 1138 SD MET A 100 -5.063 9.938 3.335 1.00 0.00 S ATOM 1139 CE MET A 100 -4.430 8.425 2.619 1.00 0.00 C ATOM 0 H MET A 100 -6.230 11.615 3.398 1.00 0.00 H new ATOM 0 HA MET A 100 -4.902 14.141 4.070 1.00 0.00 H new ATOM 0 HB2 MET A 100 -2.832 12.883 3.813 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.913 12.101 4.949 1.00 0.00 H new ATOM 0 HG2 MET A 100 -3.523 11.257 2.058 1.00 0.00 H new ATOM 0 HG3 MET A 100 -2.739 10.513 3.438 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.677 7.584 3.267 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.879 8.271 1.638 1.00 0.00 H new ATOM 0 HE3 MET A 100 -3.347 8.497 2.515 1.00 0.00 H new ATOM 1149 N GLY A 101 -5.291 12.955 1.054 1.00 0.00 N ATOM 1150 CA GLY A 101 -5.268 13.383 -0.332 1.00 0.00 C ATOM 1151 C GLY A 101 -4.255 12.647 -1.182 1.00 0.00 C ATOM 1152 O GLY A 101 -3.534 13.265 -1.961 1.00 0.00 O ATOM 0 H GLY A 101 -5.774 12.073 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.260 13.243 -0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.052 14.451 -0.369 1.00 0.00 H new ATOM 1156 N ILE A 102 -4.193 11.329 -1.049 1.00 0.00 N ATOM 1157 CA ILE A 102 -3.324 10.519 -1.901 1.00 0.00 C ATOM 1158 C ILE A 102 -4.047 9.257 -2.346 1.00 0.00 C ATOM 1159 O ILE A 102 -5.031 8.844 -1.728 1.00 0.00 O ATOM 1160 CB ILE A 102 -2.000 10.112 -1.205 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.271 9.144 -0.053 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -1.245 11.336 -0.703 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -1.021 8.479 0.479 1.00 0.00 C ATOM 0 H ILE A 102 -4.730 10.797 -0.364 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.074 11.143 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.376 9.608 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.760 9.684 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.967 8.376 -0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.321 11.020 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.010 11.989 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.863 11.876 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.286 7.806 1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.543 7.912 -0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.332 9.240 0.846 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.571 8.663 -3.428 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.091 7.389 -3.892 1.00 0.00 C ATOM 1177 C ARG A 103 -3.324 6.257 -3.232 1.00 0.00 C ATOM 1178 O ARG A 103 -2.092 6.256 -3.231 1.00 0.00 O ATOM 1179 CB ARG A 103 -3.953 7.255 -5.407 1.00 0.00 C ATOM 1180 CG ARG A 103 -4.760 8.254 -6.217 1.00 0.00 C ATOM 1181 CD ARG A 103 -4.563 7.995 -7.702 1.00 0.00 C ATOM 1182 NE ARG A 103 -5.304 8.918 -8.556 1.00 0.00 N ATOM 1183 CZ ARG A 103 -5.020 9.109 -9.844 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -3.984 8.482 -10.398 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -5.768 9.926 -10.573 1.00 0.00 N ATOM 0 H ARG A 103 -2.821 9.046 -4.004 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.148 7.340 -3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.901 7.361 -5.671 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.254 6.248 -5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.817 8.173 -5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.450 9.270 -5.972 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.501 8.067 -7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.872 6.975 -7.929 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.077 9.443 -8.147 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.408 7.855 -9.837 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.767 8.628 -11.384 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.560 10.408 -10.148 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -5.551 10.073 -11.559 1.00 0.00 H new ATOM 1199 N THR A 104 -4.043 5.302 -2.677 1.00 0.00 N ATOM 1200 CA THR A 104 -3.416 4.163 -2.043 1.00 0.00 C ATOM 1201 C THR A 104 -3.652 2.892 -2.847 1.00 0.00 C ATOM 1202 O THR A 104 -4.790 2.515 -3.124 1.00 0.00 O ATOM 1203 CB THR A 104 -3.934 3.980 -0.608 1.00 0.00 C ATOM 1204 OG1 THR A 104 -5.339 4.251 -0.561 1.00 0.00 O ATOM 1205 CG2 THR A 104 -3.205 4.905 0.356 1.00 0.00 C ATOM 0 H THR A 104 -5.063 5.293 -2.653 1.00 0.00 H new ATOM 0 HA THR A 104 -2.344 4.356 -2.005 1.00 0.00 H new ATOM 0 HB THR A 104 -3.748 2.949 -0.307 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.603 4.449 0.362 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.590 4.756 1.365 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.138 4.682 0.338 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.364 5.941 0.056 1.00 0.00 H new ATOM 1213 N SER A 105 -2.568 2.248 -3.234 1.00 0.00 N ATOM 1214 CA SER A 105 -2.644 1.005 -3.971 1.00 0.00 C ATOM 1215 C SER A 105 -2.034 -0.120 -3.148 1.00 0.00 C ATOM 1216 O SER A 105 -1.318 0.129 -2.188 1.00 0.00 O ATOM 1217 CB SER A 105 -1.919 1.135 -5.313 1.00 0.00 C ATOM 1218 OG SER A 105 -2.460 2.190 -6.088 1.00 0.00 O ATOM 0 H SER A 105 -1.618 2.569 -3.048 1.00 0.00 H new ATOM 0 HA SER A 105 -3.691 0.774 -4.167 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.858 1.315 -5.140 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.998 0.198 -5.864 1.00 0.00 H new ATOM 0 HG SER A 105 -1.977 2.252 -6.939 1.00 0.00 H new ATOM 1224 N ASN A 106 -2.320 -1.350 -3.522 1.00 0.00 N ATOM 1225 CA ASN A 106 -1.815 -2.509 -2.796 1.00 0.00 C ATOM 1226 C ASN A 106 -0.525 -3.001 -3.442 1.00 0.00 C ATOM 1227 O ASN A 106 0.365 -3.510 -2.770 1.00 0.00 O ATOM 1228 CB ASN A 106 -2.867 -3.624 -2.803 1.00 0.00 C ATOM 1229 CG ASN A 106 -2.947 -4.393 -1.496 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -3.200 -5.597 -1.487 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -2.774 -3.702 -0.380 1.00 0.00 N ATOM 0 H ASN A 106 -2.902 -1.579 -4.328 1.00 0.00 H new ATOM 0 HA ASN A 106 -1.607 -2.225 -1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.843 -3.190 -3.020 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.641 -4.320 -3.611 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.849 -4.167 0.525 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -2.565 -2.705 -0.425 1.00 0.00 H new