USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 814 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 71 GLN : amide:sc= -7.94! C(o=-13!,f=-9.6!) USER MOD Set 1.2: A 93 GLN : amide:sc= -5.44! K(o=-13!,f=-8) USER MOD Set 1.3: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 GLN : amide:sc= -6.31! C(o=-6!,f=-4.6!) USER MOD Set 2.2: A 42 LYS NZ :NH3+ 164:sc= 0.328 (180deg=0) USER MOD Set 3.1: A 22 ASN : amide:sc= -8.56! C(o=-13!,f=-5.1!) USER MOD Set 3.2: A 25 GLN : amide:sc= -4.25! K(o=-13!,f=-6.7) USER MOD Single : A 6 ASN : amide:sc= -7.03! C(o=-7!,f=-7!) USER MOD Single : A 9 THR OG1 : rot 68:sc= 0.306 USER MOD Single : A 11 ASN : amide:sc= -0.724 K(o=-0.72,f=-0.0029) USER MOD Single : A 13 ASN : amide:sc= -1.13 K(o=-1.1,f=-7.1!) USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= -0.432 (180deg=-0.432) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -124:sc= -0.372 (180deg=-2.44!) USER MOD Single : A 31 THR OG1 : rot 56:sc= 0.684 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 170:sc= -0.826 (180deg=-1.43) USER MOD Single : A 44 THR OG1 : rot 90:sc= 0.189 USER MOD Single : A 47 LYS NZ :NH3+ -147:sc=-0.00598 (180deg=-0.152) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.603) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -127:sc= -0.141 (180deg=-1.4) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.0046 (180deg=-0.25) USER MOD Single : A 63 HIS : no HD1:sc= -7.2! C(o=-7.2!,f=-9!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -3.23! K(o=-3.2!,f=-0.26) USER MOD Single : A 83 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0274) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.51 K(o=-0.51,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -3.14! C(o=-3.1!,f=-2.1!) USER MOD Single : A 103 GLN : amide:sc= -8.49! C(o=-8.5!,f=-6.5!) USER MOD Single : A 104 LYS NZ :NH3+ -165:sc= -0.178 (180deg=-0.935) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 12.233 5.146 10.284 1.00 0.00 N ATOM 14 CA ASP A 2 10.868 4.543 10.245 1.00 0.00 C ATOM 15 C ASP A 2 10.224 4.836 8.894 1.00 0.00 C ATOM 16 O ASP A 2 9.237 4.237 8.515 1.00 0.00 O ATOM 17 CB ASP A 2 10.010 5.204 11.324 1.00 0.00 C ATOM 18 CG ASP A 2 10.271 4.546 12.683 1.00 0.00 C ATOM 19 OD1 ASP A 2 11.160 3.715 12.756 1.00 0.00 O ATOM 20 OD2 ASP A 2 9.574 4.885 13.625 1.00 0.00 O ATOM 0 HA ASP A 2 10.940 3.467 10.406 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.237 6.269 11.378 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.955 5.115 11.065 1.00 0.00 H new ATOM 25 N LEU A 3 10.766 5.770 8.179 1.00 0.00 N ATOM 26 CA LEU A 3 10.185 6.135 6.858 1.00 0.00 C ATOM 27 C LEU A 3 10.814 5.264 5.780 1.00 0.00 C ATOM 28 O LEU A 3 10.136 4.661 4.972 1.00 0.00 O ATOM 29 CB LEU A 3 10.475 7.610 6.550 1.00 0.00 C ATOM 30 CG LEU A 3 10.122 8.488 7.758 1.00 0.00 C ATOM 31 CD1 LEU A 3 10.203 9.961 7.353 1.00 0.00 C ATOM 32 CD2 LEU A 3 8.700 8.169 8.236 1.00 0.00 C ATOM 0 H LEU A 3 11.592 6.303 8.450 1.00 0.00 H new ATOM 0 HA LEU A 3 9.107 5.979 6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.528 7.735 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.898 7.927 5.681 1.00 0.00 H new ATOM 0 HG LEU A 3 10.825 8.288 8.566 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.953 10.588 8.209 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.214 10.191 7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.500 10.155 6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.455 8.796 9.094 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.993 8.365 7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.640 7.120 8.524 1.00 0.00 H new ATOM 44 N GLU A 4 12.114 5.179 5.777 1.00 0.00 N ATOM 45 CA GLU A 4 12.806 4.336 4.776 1.00 0.00 C ATOM 46 C GLU A 4 12.450 2.894 5.075 1.00 0.00 C ATOM 47 O GLU A 4 12.511 2.024 4.230 1.00 0.00 O ATOM 48 CB GLU A 4 14.319 4.528 4.905 1.00 0.00 C ATOM 49 CG GLU A 4 14.638 6.019 5.058 1.00 0.00 C ATOM 50 CD GLU A 4 16.154 6.214 5.121 1.00 0.00 C ATOM 51 OE1 GLU A 4 16.833 5.722 4.236 1.00 0.00 O ATOM 52 OE2 GLU A 4 16.609 6.852 6.056 1.00 0.00 O ATOM 0 H GLU A 4 12.728 5.663 6.432 1.00 0.00 H new ATOM 0 HA GLU A 4 12.504 4.607 3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.693 3.976 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.823 4.127 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.224 6.578 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.173 6.410 5.963 1.00 0.00 H new ATOM 59 N ASP A 5 12.089 2.644 6.297 1.00 0.00 N ATOM 60 CA ASP A 5 11.737 1.264 6.700 1.00 0.00 C ATOM 61 C ASP A 5 10.337 0.908 6.175 1.00 0.00 C ATOM 62 O ASP A 5 10.132 -0.131 5.580 1.00 0.00 O ATOM 63 CB ASP A 5 11.767 1.209 8.228 1.00 0.00 C ATOM 64 CG ASP A 5 10.986 -0.004 8.751 1.00 0.00 C ATOM 65 OD1 ASP A 5 11.199 -1.089 8.234 1.00 0.00 O ATOM 66 OD2 ASP A 5 10.190 0.176 9.657 1.00 0.00 O ATOM 0 H ASP A 5 12.023 3.342 7.038 1.00 0.00 H new ATOM 0 HA ASP A 5 12.443 0.546 6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.800 1.157 8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.340 2.125 8.637 1.00 0.00 H new ATOM 71 N ASN A 6 9.371 1.757 6.410 1.00 0.00 N ATOM 72 CA ASN A 6 7.992 1.464 5.948 1.00 0.00 C ATOM 73 C ASN A 6 8.037 1.118 4.450 1.00 0.00 C ATOM 74 O ASN A 6 7.386 0.202 3.991 1.00 0.00 O ATOM 75 CB ASN A 6 7.104 2.701 6.233 1.00 0.00 C ATOM 76 CG ASN A 6 6.050 2.897 5.139 1.00 0.00 C ATOM 77 OD1 ASN A 6 4.864 2.824 5.391 1.00 0.00 O ATOM 78 ND2 ASN A 6 6.452 3.146 3.929 1.00 0.00 N ATOM 0 H ASN A 6 9.483 2.642 6.904 1.00 0.00 H new ATOM 0 HA ASN A 6 7.566 0.612 6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.611 2.582 7.198 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.729 3.591 6.302 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.770 3.282 3.183 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.450 3.206 3.725 1.00 0.00 H new ATOM 85 N TRP A 7 8.795 1.855 3.686 1.00 0.00 N ATOM 86 CA TRP A 7 8.875 1.576 2.225 1.00 0.00 C ATOM 87 C TRP A 7 9.341 0.137 2.012 1.00 0.00 C ATOM 88 O TRP A 7 8.730 -0.622 1.286 1.00 0.00 O ATOM 89 CB TRP A 7 9.869 2.548 1.567 1.00 0.00 C ATOM 90 CG TRP A 7 9.209 3.867 1.279 1.00 0.00 C ATOM 91 CD1 TRP A 7 8.612 4.669 2.195 1.00 0.00 C ATOM 92 CD2 TRP A 7 9.085 4.550 -0.001 1.00 0.00 C ATOM 93 NE1 TRP A 7 8.125 5.795 1.554 1.00 0.00 N ATOM 94 CE2 TRP A 7 8.395 5.769 0.200 1.00 0.00 C ATOM 95 CE3 TRP A 7 9.501 4.231 -1.306 1.00 0.00 C ATOM 96 CZ2 TRP A 7 8.128 6.640 -0.855 1.00 0.00 C ATOM 97 CZ3 TRP A 7 9.235 5.106 -2.372 1.00 0.00 C ATOM 98 CH2 TRP A 7 8.549 6.308 -2.146 1.00 0.00 C ATOM 0 H TRP A 7 9.362 2.638 4.010 1.00 0.00 H new ATOM 0 HA TRP A 7 7.893 1.710 1.772 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.726 2.700 2.224 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.249 2.116 0.641 1.00 0.00 H new ATOM 0 HD1 TRP A 7 8.530 4.463 3.252 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.628 6.551 2.024 1.00 0.00 H new ATOM 0 HE3 TRP A 7 10.029 3.307 -1.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 7.600 7.565 -0.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 9.560 4.852 -3.370 1.00 0.00 H new ATOM 0 HH2 TRP A 7 8.346 6.977 -2.969 1.00 0.00 H new ATOM 109 N GLU A 8 10.415 -0.249 2.638 1.00 0.00 N ATOM 110 CA GLU A 8 10.904 -1.629 2.471 1.00 0.00 C ATOM 111 C GLU A 8 9.806 -2.594 2.908 1.00 0.00 C ATOM 112 O GLU A 8 9.698 -3.691 2.403 1.00 0.00 O ATOM 113 CB GLU A 8 12.141 -1.824 3.339 1.00 0.00 C ATOM 114 CG GLU A 8 12.801 -3.144 2.980 1.00 0.00 C ATOM 115 CD GLU A 8 13.855 -3.493 4.032 1.00 0.00 C ATOM 116 OE1 GLU A 8 13.500 -3.567 5.196 1.00 0.00 O ATOM 117 OE2 GLU A 8 15.001 -3.678 3.655 1.00 0.00 O ATOM 0 H GLU A 8 10.972 0.339 3.258 1.00 0.00 H new ATOM 0 HA GLU A 8 11.162 -1.818 1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.840 -1.001 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.865 -1.817 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.052 -3.934 2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.264 -3.075 1.996 1.00 0.00 H new ATOM 124 N THR A 9 8.984 -2.196 3.840 1.00 0.00 N ATOM 125 CA THR A 9 7.895 -3.105 4.285 1.00 0.00 C ATOM 126 C THR A 9 6.897 -3.264 3.143 1.00 0.00 C ATOM 127 O THR A 9 6.611 -4.361 2.707 1.00 0.00 O ATOM 128 CB THR A 9 7.195 -2.536 5.522 1.00 0.00 C ATOM 129 OG1 THR A 9 8.160 -2.282 6.534 1.00 0.00 O ATOM 130 CG2 THR A 9 6.165 -3.544 6.035 1.00 0.00 C ATOM 0 H THR A 9 9.019 -1.290 4.307 1.00 0.00 H new ATOM 0 HA THR A 9 8.314 -4.076 4.550 1.00 0.00 H new ATOM 0 HB THR A 9 6.690 -1.606 5.261 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.738 -1.541 6.256 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.667 -3.139 6.916 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.426 -3.737 5.257 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.667 -4.475 6.298 1.00 0.00 H new ATOM 138 N LEU A 10 6.386 -2.180 2.630 1.00 0.00 N ATOM 139 CA LEU A 10 5.437 -2.297 1.491 1.00 0.00 C ATOM 140 C LEU A 10 6.179 -3.008 0.365 1.00 0.00 C ATOM 141 O LEU A 10 5.629 -3.814 -0.359 1.00 0.00 O ATOM 142 CB LEU A 10 4.988 -0.912 0.993 1.00 0.00 C ATOM 143 CG LEU A 10 4.565 -0.002 2.155 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.774 1.187 1.603 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.683 -0.770 3.139 1.00 0.00 C ATOM 0 H LEU A 10 6.582 -1.230 2.946 1.00 0.00 H new ATOM 0 HA LEU A 10 4.548 -2.843 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.802 -0.442 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.156 -1.027 0.299 1.00 0.00 H new ATOM 0 HG LEU A 10 5.459 0.346 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.472 1.836 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.399 1.749 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.888 0.824 1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.391 -0.111 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.791 -1.127 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.237 -1.620 3.538 1.00 0.00 H new ATOM 157 N ASN A 11 7.438 -2.705 0.214 1.00 0.00 N ATOM 158 CA ASN A 11 8.232 -3.364 -0.858 1.00 0.00 C ATOM 159 C ASN A 11 8.407 -4.853 -0.512 1.00 0.00 C ATOM 160 O ASN A 11 8.077 -5.728 -1.289 1.00 0.00 O ATOM 161 CB ASN A 11 9.605 -2.672 -0.988 1.00 0.00 C ATOM 162 CG ASN A 11 10.088 -2.730 -2.447 1.00 0.00 C ATOM 163 OD1 ASN A 11 10.777 -1.839 -2.903 1.00 0.00 O ATOM 164 ND2 ASN A 11 9.752 -3.745 -3.201 1.00 0.00 N ATOM 0 H ASN A 11 7.949 -2.032 0.785 1.00 0.00 H new ATOM 0 HA ASN A 11 7.711 -3.279 -1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.531 -1.635 -0.662 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.330 -3.160 -0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.068 -3.787 -4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.174 -4.494 -2.820 1.00 0.00 H new ATOM 171 N ASP A 12 8.930 -5.134 0.654 1.00 0.00 N ATOM 172 CA ASP A 12 9.141 -6.552 1.076 1.00 0.00 C ATOM 173 C ASP A 12 7.800 -7.293 1.079 1.00 0.00 C ATOM 174 O ASP A 12 7.748 -8.508 1.085 1.00 0.00 O ATOM 175 CB ASP A 12 9.750 -6.571 2.484 1.00 0.00 C ATOM 176 CG ASP A 12 9.759 -8.002 3.031 1.00 0.00 C ATOM 177 OD1 ASP A 12 10.493 -8.816 2.495 1.00 0.00 O ATOM 178 OD2 ASP A 12 9.032 -8.258 3.976 1.00 0.00 O ATOM 0 H ASP A 12 9.222 -4.436 1.338 1.00 0.00 H new ATOM 0 HA ASP A 12 9.818 -7.047 0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.766 -6.177 2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.176 -5.923 3.146 1.00 0.00 H new ATOM 183 N ASN A 13 6.717 -6.571 1.060 1.00 0.00 N ATOM 184 CA ASN A 13 5.386 -7.218 1.053 1.00 0.00 C ATOM 185 C ASN A 13 5.142 -7.792 -0.352 1.00 0.00 C ATOM 186 O ASN A 13 4.815 -8.947 -0.518 1.00 0.00 O ATOM 187 CB ASN A 13 4.322 -6.134 1.346 1.00 0.00 C ATOM 188 CG ASN A 13 3.693 -6.283 2.732 1.00 0.00 C ATOM 189 OD1 ASN A 13 3.585 -7.372 3.259 1.00 0.00 O ATOM 190 ND2 ASN A 13 3.269 -5.201 3.344 1.00 0.00 N ATOM 0 H ASN A 13 6.701 -5.551 1.049 1.00 0.00 H new ATOM 0 HA ASN A 13 5.331 -8.011 1.799 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.781 -5.149 1.264 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.539 -6.185 0.589 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.845 -5.271 4.269 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.364 -4.290 2.894 1.00 0.00 H new ATOM 197 N LEU A 14 5.278 -6.959 -1.352 1.00 0.00 N ATOM 198 CA LEU A 14 5.028 -7.391 -2.757 1.00 0.00 C ATOM 199 C LEU A 14 5.923 -8.558 -3.143 1.00 0.00 C ATOM 200 O LEU A 14 5.552 -9.388 -3.950 1.00 0.00 O ATOM 201 CB LEU A 14 5.317 -6.213 -3.693 1.00 0.00 C ATOM 202 CG LEU A 14 4.300 -5.083 -3.437 1.00 0.00 C ATOM 203 CD1 LEU A 14 4.919 -3.729 -3.802 1.00 0.00 C ATOM 204 CD2 LEU A 14 3.043 -5.314 -4.283 1.00 0.00 C ATOM 0 H LEU A 14 5.556 -5.983 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 14 3.989 -7.711 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.331 -5.847 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.259 -6.539 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 14 4.031 -5.083 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.194 -2.936 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.806 -3.558 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.198 -3.729 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.328 -4.513 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.312 -5.324 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.594 -6.270 -4.014 1.00 0.00 H new ATOM 216 N LYS A 15 7.091 -8.644 -2.591 1.00 0.00 N ATOM 217 CA LYS A 15 7.969 -9.773 -2.964 1.00 0.00 C ATOM 218 C LYS A 15 7.377 -11.064 -2.412 1.00 0.00 C ATOM 219 O LYS A 15 7.348 -12.073 -3.079 1.00 0.00 O ATOM 220 CB LYS A 15 9.368 -9.574 -2.376 1.00 0.00 C ATOM 221 CG LYS A 15 10.323 -10.667 -2.915 1.00 0.00 C ATOM 222 CD LYS A 15 11.345 -11.069 -1.835 1.00 0.00 C ATOM 223 CE LYS A 15 10.737 -12.130 -0.910 1.00 0.00 C ATOM 224 NZ LYS A 15 10.672 -13.431 -1.632 1.00 0.00 N ATOM 0 H LYS A 15 7.472 -7.991 -1.907 1.00 0.00 H new ATOM 0 HA LYS A 15 8.043 -9.824 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.746 -8.586 -2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.325 -9.620 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.749 -11.540 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.844 -10.299 -3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.249 -11.458 -2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.638 -10.194 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.340 -12.231 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.739 -11.826 -0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.244 -14.150 -1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.094 -13.324 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.632 -13.729 -1.897 1.00 0.00 H new ATOM 238 N VAL A 16 6.910 -11.047 -1.200 1.00 0.00 N ATOM 239 CA VAL A 16 6.335 -12.291 -0.624 1.00 0.00 C ATOM 240 C VAL A 16 5.182 -12.781 -1.510 1.00 0.00 C ATOM 241 O VAL A 16 4.874 -13.953 -1.543 1.00 0.00 O ATOM 242 CB VAL A 16 5.834 -12.010 0.800 1.00 0.00 C ATOM 243 CG1 VAL A 16 5.028 -13.204 1.311 1.00 0.00 C ATOM 244 CG2 VAL A 16 7.030 -11.784 1.731 1.00 0.00 C ATOM 0 H VAL A 16 6.900 -10.233 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 16 7.100 -13.066 -0.583 1.00 0.00 H new ATOM 0 HB VAL A 16 5.203 -11.121 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.675 -12.999 2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.174 -13.373 0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.660 -14.092 1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.672 -11.585 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.659 -12.674 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.611 -10.932 1.377 1.00 0.00 H new ATOM 254 N ILE A 17 4.541 -11.894 -2.226 1.00 0.00 N ATOM 255 CA ILE A 17 3.407 -12.321 -3.106 1.00 0.00 C ATOM 256 C ILE A 17 3.932 -13.102 -4.318 1.00 0.00 C ATOM 257 O ILE A 17 3.771 -14.306 -4.427 1.00 0.00 O ATOM 258 CB ILE A 17 2.650 -11.086 -3.599 1.00 0.00 C ATOM 259 CG1 ILE A 17 2.452 -10.120 -2.439 1.00 0.00 C ATOM 260 CG2 ILE A 17 1.289 -11.504 -4.156 1.00 0.00 C ATOM 261 CD1 ILE A 17 1.630 -8.920 -2.909 1.00 0.00 C ATOM 0 H ILE A 17 4.751 -10.896 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 17 2.742 -12.963 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 17 3.225 -10.598 -4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.944 -10.623 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.418 -9.787 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.753 -10.622 -4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.432 -12.195 -4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.710 -11.993 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.488 -8.228 -2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.156 -8.413 -3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.659 -9.262 -3.266 1.00 0.00 H new ATOM 273 N GLU A 18 4.554 -12.421 -5.240 1.00 0.00 N ATOM 274 CA GLU A 18 5.081 -13.110 -6.455 1.00 0.00 C ATOM 275 C GLU A 18 5.834 -14.363 -6.031 1.00 0.00 C ATOM 276 O GLU A 18 5.912 -15.331 -6.761 1.00 0.00 O ATOM 277 CB GLU A 18 6.014 -12.149 -7.206 1.00 0.00 C ATOM 278 CG GLU A 18 5.479 -10.723 -7.047 1.00 0.00 C ATOM 279 CD GLU A 18 6.044 -9.825 -8.152 1.00 0.00 C ATOM 280 OE1 GLU A 18 5.585 -9.944 -9.277 1.00 0.00 O ATOM 281 OE2 GLU A 18 6.925 -9.037 -7.854 1.00 0.00 O ATOM 0 H GLU A 18 4.721 -11.415 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 18 4.262 -13.399 -7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.027 -12.219 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.065 -12.418 -8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.390 -10.727 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.756 -10.329 -6.069 1.00 0.00 H new ATOM 288 N LYS A 19 6.370 -14.350 -4.839 1.00 0.00 N ATOM 289 CA LYS A 19 7.109 -15.551 -4.327 1.00 0.00 C ATOM 290 C LYS A 19 6.231 -16.278 -3.297 1.00 0.00 C ATOM 291 O LYS A 19 6.630 -17.272 -2.724 1.00 0.00 O ATOM 292 CB LYS A 19 8.454 -15.119 -3.686 1.00 0.00 C ATOM 293 CG LYS A 19 9.616 -15.293 -4.688 1.00 0.00 C ATOM 294 CD LYS A 19 9.546 -14.201 -5.796 1.00 0.00 C ATOM 295 CE LYS A 19 10.530 -13.039 -5.520 1.00 0.00 C ATOM 296 NZ LYS A 19 11.695 -13.158 -6.441 1.00 0.00 N ATOM 0 H LYS A 19 6.330 -13.561 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 19 7.329 -16.226 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.394 -14.078 -3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.645 -15.714 -2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.569 -15.228 -4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.569 -16.283 -5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.775 -14.649 -6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.530 -13.810 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.031 -12.081 -5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.866 -13.069 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.361 -12.380 -6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.173 -14.067 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.365 -13.110 -7.426 1.00 0.00 H new ATOM 310 N ALA A 20 5.030 -15.807 -3.071 1.00 0.00 N ATOM 311 CA ALA A 20 4.140 -16.502 -2.098 1.00 0.00 C ATOM 312 C ALA A 20 3.995 -17.945 -2.552 1.00 0.00 C ATOM 313 O ALA A 20 3.995 -18.860 -1.759 1.00 0.00 O ATOM 314 CB ALA A 20 2.752 -15.840 -2.059 1.00 0.00 C ATOM 0 H ALA A 20 4.632 -14.979 -3.515 1.00 0.00 H new ATOM 0 HA ALA A 20 4.572 -16.445 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.119 -16.364 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.855 -14.797 -1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.297 -15.890 -3.048 1.00 0.00 H new ATOM 320 N ASP A 21 3.866 -18.142 -3.832 1.00 0.00 N ATOM 321 CA ASP A 21 3.719 -19.522 -4.387 1.00 0.00 C ATOM 322 C ASP A 21 2.507 -20.237 -3.763 1.00 0.00 C ATOM 323 O ASP A 21 2.063 -21.253 -4.262 1.00 0.00 O ATOM 324 CB ASP A 21 5.002 -20.324 -4.121 1.00 0.00 C ATOM 325 CG ASP A 21 6.076 -19.939 -5.143 1.00 0.00 C ATOM 326 OD1 ASP A 21 6.481 -18.788 -5.144 1.00 0.00 O ATOM 327 OD2 ASP A 21 6.476 -20.803 -5.906 1.00 0.00 O ATOM 0 H ASP A 21 3.856 -17.398 -4.530 1.00 0.00 H new ATOM 0 HA ASP A 21 3.554 -19.450 -5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.361 -20.128 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.794 -21.392 -4.184 1.00 0.00 H new ATOM 332 N ASN A 22 1.947 -19.715 -2.696 1.00 0.00 N ATOM 333 CA ASN A 22 0.749 -20.373 -2.080 1.00 0.00 C ATOM 334 C ASN A 22 -0.156 -19.295 -1.491 1.00 0.00 C ATOM 335 O ASN A 22 0.304 -18.291 -0.997 1.00 0.00 O ATOM 336 CB ASN A 22 1.145 -21.361 -0.970 1.00 0.00 C ATOM 337 CG ASN A 22 2.490 -21.976 -1.297 1.00 0.00 C ATOM 338 OD1 ASN A 22 2.628 -23.181 -1.376 1.00 0.00 O ATOM 339 ND2 ASN A 22 3.491 -21.188 -1.487 1.00 0.00 N ATOM 0 H ASN A 22 2.265 -18.867 -2.227 1.00 0.00 H new ATOM 0 HA ASN A 22 0.232 -20.934 -2.858 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.192 -20.846 -0.010 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.390 -22.141 -0.876 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.409 -21.574 -1.706 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.365 -20.178 -1.419 1.00 0.00 H new ATOM 346 N ALA A 23 -1.433 -19.508 -1.546 1.00 0.00 N ATOM 347 CA ALA A 23 -2.400 -18.506 -1.014 1.00 0.00 C ATOM 348 C ALA A 23 -2.092 -18.136 0.440 1.00 0.00 C ATOM 349 O ALA A 23 -2.291 -17.012 0.837 1.00 0.00 O ATOM 350 CB ALA A 23 -3.812 -19.092 -1.103 1.00 0.00 C ATOM 0 H ALA A 23 -1.860 -20.345 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.319 -17.598 -1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.531 -18.369 -0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.047 -19.318 -2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.864 -20.007 -0.512 1.00 0.00 H new ATOM 356 N ALA A 24 -1.634 -19.060 1.240 1.00 0.00 N ATOM 357 CA ALA A 24 -1.365 -18.733 2.674 1.00 0.00 C ATOM 358 C ALA A 24 -0.362 -17.579 2.787 1.00 0.00 C ATOM 359 O ALA A 24 -0.581 -16.628 3.510 1.00 0.00 O ATOM 360 CB ALA A 24 -0.789 -19.966 3.374 1.00 0.00 C ATOM 0 H ALA A 24 -1.435 -20.022 0.967 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.301 -18.434 3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.591 -19.731 4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.505 -20.786 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.140 -20.260 2.886 1.00 0.00 H new ATOM 366 N GLN A 25 0.735 -17.655 2.093 1.00 0.00 N ATOM 367 CA GLN A 25 1.744 -16.570 2.176 1.00 0.00 C ATOM 368 C GLN A 25 1.190 -15.282 1.560 1.00 0.00 C ATOM 369 O GLN A 25 1.689 -14.201 1.803 1.00 0.00 O ATOM 370 CB GLN A 25 2.999 -17.004 1.433 1.00 0.00 C ATOM 371 CG GLN A 25 3.308 -18.464 1.772 1.00 0.00 C ATOM 372 CD GLN A 25 4.755 -18.779 1.406 1.00 0.00 C ATOM 373 OE1 GLN A 25 5.676 -18.392 2.097 1.00 0.00 O ATOM 374 NE2 GLN A 25 4.984 -19.469 0.333 1.00 0.00 N ATOM 0 H GLN A 25 0.977 -18.425 1.470 1.00 0.00 H new ATOM 0 HA GLN A 25 1.984 -16.376 3.222 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.857 -16.890 0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.839 -16.368 1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.144 -18.644 2.834 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.633 -19.125 1.229 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.206 -19.791 -0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.943 -19.690 0.064 1.00 0.00 H new ATOM 383 N VAL A 26 0.153 -15.384 0.774 1.00 0.00 N ATOM 384 CA VAL A 26 -0.431 -14.149 0.159 1.00 0.00 C ATOM 385 C VAL A 26 -1.169 -13.368 1.243 1.00 0.00 C ATOM 386 O VAL A 26 -0.945 -12.186 1.419 1.00 0.00 O ATOM 387 CB VAL A 26 -1.416 -14.497 -0.969 1.00 0.00 C ATOM 388 CG1 VAL A 26 -1.939 -13.211 -1.633 1.00 0.00 C ATOM 389 CG2 VAL A 26 -0.710 -15.335 -2.036 1.00 0.00 C ATOM 0 H VAL A 26 -0.314 -16.258 0.530 1.00 0.00 H new ATOM 0 HA VAL A 26 0.378 -13.555 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.246 -15.057 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.636 -13.471 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.450 -12.599 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.102 -12.651 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.414 -15.578 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.125 -14.769 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.337 -16.256 -1.588 1.00 0.00 H new ATOM 399 N LYS A 27 -2.045 -14.001 1.988 1.00 0.00 N ATOM 400 CA LYS A 27 -2.757 -13.242 3.052 1.00 0.00 C ATOM 401 C LYS A 27 -1.700 -12.588 3.919 1.00 0.00 C ATOM 402 O LYS A 27 -1.779 -11.432 4.280 1.00 0.00 O ATOM 403 CB LYS A 27 -3.566 -14.177 3.959 1.00 0.00 C ATOM 404 CG LYS A 27 -4.725 -14.864 3.189 1.00 0.00 C ATOM 405 CD LYS A 27 -4.406 -16.353 2.973 1.00 0.00 C ATOM 406 CE LYS A 27 -4.672 -17.152 4.253 1.00 0.00 C ATOM 407 NZ LYS A 27 -4.693 -18.607 3.926 1.00 0.00 N ATOM 0 H LYS A 27 -2.290 -14.988 1.905 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.432 -12.525 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.907 -14.937 4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.972 -13.610 4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.655 -14.761 3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.875 -14.373 2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.015 -16.747 2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.364 -16.468 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.899 -16.944 4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.623 -16.852 4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.596 -19.020 4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.590 -18.733 2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.908 -19.084 4.414 1.00 0.00 H new ATOM 421 N ASP A 28 -0.704 -13.348 4.243 1.00 0.00 N ATOM 422 CA ASP A 28 0.394 -12.830 5.086 1.00 0.00 C ATOM 423 C ASP A 28 0.949 -11.558 4.454 1.00 0.00 C ATOM 424 O ASP A 28 1.293 -10.610 5.133 1.00 0.00 O ATOM 425 CB ASP A 28 1.502 -13.885 5.147 1.00 0.00 C ATOM 426 CG ASP A 28 0.939 -15.190 5.716 1.00 0.00 C ATOM 427 OD1 ASP A 28 -0.116 -15.140 6.326 1.00 0.00 O ATOM 428 OD2 ASP A 28 1.575 -16.215 5.535 1.00 0.00 O ATOM 0 H ASP A 28 -0.602 -14.321 3.955 1.00 0.00 H new ATOM 0 HA ASP A 28 0.028 -12.612 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.909 -14.057 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.323 -13.529 5.770 1.00 0.00 H new ATOM 433 N ALA A 29 1.045 -11.535 3.156 1.00 0.00 N ATOM 434 CA ALA A 29 1.588 -10.334 2.472 1.00 0.00 C ATOM 435 C ALA A 29 0.592 -9.170 2.561 1.00 0.00 C ATOM 436 O ALA A 29 0.865 -8.151 3.161 1.00 0.00 O ATOM 437 CB ALA A 29 1.857 -10.658 1.003 1.00 0.00 C ATOM 0 H ALA A 29 0.770 -12.299 2.539 1.00 0.00 H new ATOM 0 HA ALA A 29 2.517 -10.043 2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.255 -9.775 0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.580 -11.471 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.927 -10.960 0.521 1.00 0.00 H new ATOM 443 N LEU A 30 -0.555 -9.307 1.947 1.00 0.00 N ATOM 444 CA LEU A 30 -1.559 -8.200 1.974 1.00 0.00 C ATOM 445 C LEU A 30 -1.999 -7.913 3.414 1.00 0.00 C ATOM 446 O LEU A 30 -2.356 -6.800 3.747 1.00 0.00 O ATOM 447 CB LEU A 30 -2.769 -8.589 1.119 1.00 0.00 C ATOM 448 CG LEU A 30 -2.309 -9.018 -0.286 1.00 0.00 C ATOM 449 CD1 LEU A 30 -3.535 -9.189 -1.187 1.00 0.00 C ATOM 450 CD2 LEU A 30 -1.383 -7.954 -0.895 1.00 0.00 C ATOM 0 H LEU A 30 -0.840 -10.137 1.428 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.105 -7.296 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.314 -9.404 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.456 -7.747 1.043 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.765 -9.959 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.215 -9.493 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.191 -9.952 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.074 -8.244 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.067 -8.272 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.917 -7.007 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.507 -7.827 -0.259 1.00 0.00 H new ATOM 462 N THR A 31 -1.954 -8.886 4.280 1.00 0.00 N ATOM 463 CA THR A 31 -2.346 -8.627 5.698 1.00 0.00 C ATOM 464 C THR A 31 -1.380 -7.596 6.265 1.00 0.00 C ATOM 465 O THR A 31 -1.744 -6.699 7.000 1.00 0.00 O ATOM 466 CB THR A 31 -2.197 -9.915 6.507 1.00 0.00 C ATOM 467 OG1 THR A 31 -3.157 -10.866 6.071 1.00 0.00 O ATOM 468 CG2 THR A 31 -2.411 -9.624 7.995 1.00 0.00 C ATOM 0 H THR A 31 -1.666 -9.842 4.073 1.00 0.00 H new ATOM 0 HA THR A 31 -3.377 -8.276 5.747 1.00 0.00 H new ATOM 0 HB THR A 31 -1.194 -10.314 6.358 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.057 -11.014 5.107 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.303 -10.547 8.565 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.671 -8.899 8.334 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.411 -9.219 8.146 1.00 0.00 H new ATOM 476 N LYS A 32 -0.140 -7.747 5.918 1.00 0.00 N ATOM 477 CA LYS A 32 0.912 -6.828 6.405 1.00 0.00 C ATOM 478 C LYS A 32 0.767 -5.472 5.705 1.00 0.00 C ATOM 479 O LYS A 32 1.077 -4.438 6.262 1.00 0.00 O ATOM 480 CB LYS A 32 2.256 -7.470 6.070 1.00 0.00 C ATOM 481 CG LYS A 32 2.570 -8.601 7.074 1.00 0.00 C ATOM 482 CD LYS A 32 3.361 -8.056 8.275 1.00 0.00 C ATOM 483 CE LYS A 32 4.858 -8.036 7.948 1.00 0.00 C ATOM 484 NZ LYS A 32 5.561 -7.172 8.931 1.00 0.00 N ATOM 0 H LYS A 32 0.196 -8.487 5.302 1.00 0.00 H new ATOM 0 HA LYS A 32 0.832 -6.660 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.234 -7.869 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.044 -6.718 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.642 -9.056 7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.144 -9.385 6.579 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.020 -7.050 8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.180 -8.677 9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.263 -9.047 7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.017 -7.661 6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.578 -7.155 8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.180 -6.206 8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.418 -7.550 9.889 1.00 0.00 H new ATOM 498 N MET A 33 0.281 -5.464 4.495 1.00 0.00 N ATOM 499 CA MET A 33 0.092 -4.169 3.778 1.00 0.00 C ATOM 500 C MET A 33 -0.935 -3.340 4.528 1.00 0.00 C ATOM 501 O MET A 33 -0.639 -2.305 5.085 1.00 0.00 O ATOM 502 CB MET A 33 -0.478 -4.426 2.393 1.00 0.00 C ATOM 503 CG MET A 33 0.588 -5.001 1.477 1.00 0.00 C ATOM 504 SD MET A 33 -0.030 -4.950 -0.221 1.00 0.00 S ATOM 505 CE MET A 33 1.414 -5.698 -0.989 1.00 0.00 C ATOM 0 H MET A 33 0.007 -6.295 3.971 1.00 0.00 H new ATOM 0 HA MET A 33 1.053 -3.659 3.712 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.318 -5.117 2.462 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.863 -3.497 1.974 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.511 -4.427 1.562 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.822 -6.026 1.765 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.192 -5.934 -2.030 1.00 0.00 H new ATOM 0 HE2 MET A 33 2.251 -5.001 -0.946 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.676 -6.613 -0.458 1.00 0.00 H new ATOM 515 N ARG A 34 -2.157 -3.804 4.517 1.00 0.00 N ATOM 516 CA ARG A 34 -3.260 -3.068 5.206 1.00 0.00 C ATOM 517 C ARG A 34 -2.740 -2.611 6.572 1.00 0.00 C ATOM 518 O ARG A 34 -3.135 -1.589 7.095 1.00 0.00 O ATOM 519 CB ARG A 34 -4.489 -4.010 5.370 1.00 0.00 C ATOM 520 CG ARG A 34 -5.722 -3.495 4.576 1.00 0.00 C ATOM 521 CD ARG A 34 -7.029 -4.069 5.176 1.00 0.00 C ATOM 522 NE ARG A 34 -7.998 -4.463 4.109 1.00 0.00 N ATOM 523 CZ ARG A 34 -8.987 -5.274 4.430 1.00 0.00 C ATOM 524 NH1 ARG A 34 -9.041 -5.794 5.628 1.00 0.00 N ATOM 525 NH2 ARG A 34 -9.925 -5.560 3.579 1.00 0.00 N ATOM 0 H ARG A 34 -2.441 -4.669 4.056 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.573 -2.201 4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.228 -5.011 5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.745 -4.092 6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.750 -2.406 4.602 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.636 -3.787 3.529 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.796 -4.936 5.795 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.488 -3.326 5.828 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.897 -4.113 3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.319 -5.572 6.313 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.805 -6.421 5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.905 -5.155 2.643 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.682 -6.190 3.846 1.00 0.00 H new ATOM 539 N ALA A 35 -1.830 -3.359 7.134 1.00 0.00 N ATOM 540 CA ALA A 35 -1.257 -2.958 8.449 1.00 0.00 C ATOM 541 C ALA A 35 -0.281 -1.800 8.224 1.00 0.00 C ATOM 542 O ALA A 35 -0.448 -0.720 8.760 1.00 0.00 O ATOM 543 CB ALA A 35 -0.523 -4.143 9.089 1.00 0.00 C ATOM 0 H ALA A 35 -1.461 -4.225 6.742 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.057 -2.646 9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.108 -3.838 10.050 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.222 -4.965 9.240 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.284 -4.469 8.432 1.00 0.00 H new ATOM 549 N ALA A 36 0.735 -2.009 7.425 1.00 0.00 N ATOM 550 CA ALA A 36 1.710 -0.913 7.159 1.00 0.00 C ATOM 551 C ALA A 36 1.000 0.238 6.444 1.00 0.00 C ATOM 552 O ALA A 36 1.305 1.395 6.658 1.00 0.00 O ATOM 553 CB ALA A 36 2.844 -1.440 6.279 1.00 0.00 C ATOM 0 H ALA A 36 0.929 -2.889 6.948 1.00 0.00 H new ATOM 0 HA ALA A 36 2.121 -0.555 8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.557 -0.638 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.350 -2.259 6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.435 -1.799 5.334 1.00 0.00 H new ATOM 559 N ALA A 37 0.052 -0.066 5.601 1.00 0.00 N ATOM 560 CA ALA A 37 -0.675 1.015 4.883 1.00 0.00 C ATOM 561 C ALA A 37 -1.279 1.965 5.912 1.00 0.00 C ATOM 562 O ALA A 37 -1.289 3.168 5.734 1.00 0.00 O ATOM 563 CB ALA A 37 -1.790 0.406 4.030 1.00 0.00 C ATOM 0 H ALA A 37 -0.249 -1.015 5.379 1.00 0.00 H new ATOM 0 HA ALA A 37 0.013 1.558 4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.321 1.200 3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.358 -0.283 3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.486 -0.133 4.672 1.00 0.00 H new ATOM 569 N LEU A 38 -1.772 1.438 6.999 1.00 0.00 N ATOM 570 CA LEU A 38 -2.360 2.319 8.041 1.00 0.00 C ATOM 571 C LEU A 38 -1.235 3.144 8.665 1.00 0.00 C ATOM 572 O LEU A 38 -1.444 4.252 9.118 1.00 0.00 O ATOM 573 CB LEU A 38 -3.046 1.466 9.121 1.00 0.00 C ATOM 574 CG LEU A 38 -4.445 1.018 8.641 1.00 0.00 C ATOM 575 CD1 LEU A 38 -4.849 -0.278 9.352 1.00 0.00 C ATOM 576 CD2 LEU A 38 -5.490 2.099 8.960 1.00 0.00 C ATOM 0 H LEU A 38 -1.792 0.440 7.208 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.105 2.979 7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.435 0.592 9.347 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.137 2.039 10.044 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.403 0.856 7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.836 -0.589 9.009 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.124 -1.059 9.125 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.875 -0.109 10.429 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.471 1.770 8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.521 2.269 10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.221 3.026 8.454 1.00 0.00 H new ATOM 588 N ASP A 39 -0.035 2.620 8.687 1.00 0.00 N ATOM 589 CA ASP A 39 1.098 3.389 9.275 1.00 0.00 C ATOM 590 C ASP A 39 1.683 4.322 8.212 1.00 0.00 C ATOM 591 O ASP A 39 2.047 5.446 8.496 1.00 0.00 O ATOM 592 CB ASP A 39 2.181 2.420 9.762 1.00 0.00 C ATOM 593 CG ASP A 39 3.136 3.149 10.712 1.00 0.00 C ATOM 594 OD1 ASP A 39 2.910 4.321 10.963 1.00 0.00 O ATOM 595 OD2 ASP A 39 4.074 2.521 11.174 1.00 0.00 O ATOM 0 H ASP A 39 0.206 1.697 8.325 1.00 0.00 H new ATOM 0 HA ASP A 39 0.739 3.978 10.119 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.722 1.573 10.272 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.733 2.020 8.912 1.00 0.00 H new ATOM 600 N ALA A 40 1.770 3.872 6.988 1.00 0.00 N ATOM 601 CA ALA A 40 2.326 4.749 5.918 1.00 0.00 C ATOM 602 C ALA A 40 1.509 6.040 5.868 1.00 0.00 C ATOM 603 O ALA A 40 1.971 7.066 5.415 1.00 0.00 O ATOM 604 CB ALA A 40 2.247 4.036 4.565 1.00 0.00 C ATOM 0 H ALA A 40 1.482 2.942 6.685 1.00 0.00 H new ATOM 0 HA ALA A 40 3.370 4.977 6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.655 4.683 3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.823 3.112 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.207 3.805 4.335 1.00 0.00 H new ATOM 610 N GLN A 41 0.298 5.996 6.341 1.00 0.00 N ATOM 611 CA GLN A 41 -0.547 7.214 6.339 1.00 0.00 C ATOM 612 C GLN A 41 0.227 8.357 7.002 1.00 0.00 C ATOM 613 O GLN A 41 0.357 9.435 6.458 1.00 0.00 O ATOM 614 CB GLN A 41 -1.830 6.921 7.132 1.00 0.00 C ATOM 615 CG GLN A 41 -2.715 8.185 7.211 1.00 0.00 C ATOM 616 CD GLN A 41 -2.427 8.945 8.509 1.00 0.00 C ATOM 617 OE1 GLN A 41 -3.113 8.770 9.495 1.00 0.00 O ATOM 618 NE2 GLN A 41 -1.432 9.784 8.547 1.00 0.00 N ATOM 0 H GLN A 41 -0.144 5.163 6.731 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.805 7.499 5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.383 6.112 6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.575 6.584 8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.522 8.828 6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.768 7.905 7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.856 9.930 7.718 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.228 10.295 9.406 1.00 0.00 H new ATOM 627 N LYS A 42 0.745 8.121 8.177 1.00 0.00 N ATOM 628 CA LYS A 42 1.517 9.181 8.890 1.00 0.00 C ATOM 629 C LYS A 42 2.813 9.471 8.124 1.00 0.00 C ATOM 630 O LYS A 42 3.680 10.171 8.607 1.00 0.00 O ATOM 631 CB LYS A 42 1.868 8.708 10.311 1.00 0.00 C ATOM 632 CG LYS A 42 0.669 8.866 11.262 1.00 0.00 C ATOM 633 CD LYS A 42 -0.334 7.736 11.034 1.00 0.00 C ATOM 634 CE LYS A 42 -1.492 7.878 12.023 1.00 0.00 C ATOM 635 NZ LYS A 42 -2.549 6.879 11.697 1.00 0.00 N ATOM 0 H LYS A 42 0.667 7.235 8.677 1.00 0.00 H new ATOM 0 HA LYS A 42 0.910 10.085 8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.178 7.663 10.283 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.714 9.282 10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.012 8.855 12.297 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.187 9.830 11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.709 7.768 10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.154 6.770 11.164 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.135 7.726 13.042 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.903 8.887 11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.197 6.783 12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.081 7.196 10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.107 5.959 11.497 1.00 0.00 H new ATOM 649 N ALA A 43 2.956 8.952 6.934 1.00 0.00 N ATOM 650 CA ALA A 43 4.203 9.223 6.163 1.00 0.00 C ATOM 651 C ALA A 43 4.101 10.611 5.536 1.00 0.00 C ATOM 652 O ALA A 43 3.131 10.937 4.881 1.00 0.00 O ATOM 653 CB ALA A 43 4.380 8.179 5.059 1.00 0.00 C ATOM 0 H ALA A 43 2.271 8.358 6.466 1.00 0.00 H new ATOM 0 HA ALA A 43 5.061 9.174 6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.294 8.388 4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.445 7.186 5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.527 8.218 4.382 1.00 0.00 H new ATOM 659 N THR A 44 5.093 11.432 5.732 1.00 0.00 N ATOM 660 CA THR A 44 5.052 12.801 5.146 1.00 0.00 C ATOM 661 C THR A 44 6.480 13.321 4.952 1.00 0.00 C ATOM 662 O THR A 44 6.867 14.322 5.517 1.00 0.00 O ATOM 663 CB THR A 44 4.287 13.730 6.098 1.00 0.00 C ATOM 664 OG1 THR A 44 4.137 15.002 5.486 1.00 0.00 O ATOM 665 CG2 THR A 44 5.054 13.890 7.425 1.00 0.00 C ATOM 0 H THR A 44 5.931 11.215 6.272 1.00 0.00 H new ATOM 0 HA THR A 44 4.550 12.773 4.179 1.00 0.00 H new ATOM 0 HB THR A 44 3.309 13.297 6.307 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.304 15.020 4.969 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.498 14.552 8.089 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.170 12.915 7.898 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.037 14.317 7.228 1.00 0.00 H new ATOM 673 N PRO A 45 7.252 12.655 4.139 1.00 0.00 N ATOM 674 CA PRO A 45 8.657 13.064 3.844 1.00 0.00 C ATOM 675 C PRO A 45 8.843 14.584 3.615 1.00 0.00 C ATOM 676 O PRO A 45 9.852 15.134 4.010 1.00 0.00 O ATOM 677 CB PRO A 45 9.003 12.269 2.578 1.00 0.00 C ATOM 678 CG PRO A 45 8.164 11.030 2.665 1.00 0.00 C ATOM 679 CD PRO A 45 6.879 11.424 3.408 1.00 0.00 C ATOM 0 HA PRO A 45 9.309 12.857 4.693 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.775 12.839 1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 45 10.065 12.026 2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.935 10.646 1.671 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.693 10.240 3.198 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.057 11.605 2.716 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.555 10.638 4.090 1.00 0.00 H new ATOM 687 N PRO A 46 7.912 15.271 2.975 1.00 0.00 N ATOM 688 CA PRO A 46 8.035 16.724 2.707 1.00 0.00 C ATOM 689 C PRO A 46 7.359 17.564 3.796 1.00 0.00 C ATOM 690 O PRO A 46 7.594 18.748 3.906 1.00 0.00 O ATOM 691 CB PRO A 46 7.319 16.886 1.352 1.00 0.00 C ATOM 692 CG PRO A 46 6.433 15.664 1.194 1.00 0.00 C ATOM 693 CD PRO A 46 6.641 14.782 2.434 1.00 0.00 C ATOM 0 HA PRO A 46 9.070 17.066 2.694 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.727 17.801 1.331 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.039 16.953 0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.387 15.957 1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.691 15.118 0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.827 14.894 3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.693 13.725 2.174 1.00 0.00 H new ATOM 701 N LYS A 47 6.519 16.939 4.584 1.00 0.00 N ATOM 702 CA LYS A 47 5.785 17.635 5.691 1.00 0.00 C ATOM 703 C LYS A 47 4.584 18.388 5.118 1.00 0.00 C ATOM 704 O LYS A 47 4.712 19.482 4.606 1.00 0.00 O ATOM 705 CB LYS A 47 6.686 18.613 6.466 1.00 0.00 C ATOM 706 CG LYS A 47 8.003 17.928 6.888 1.00 0.00 C ATOM 707 CD LYS A 47 9.104 18.982 7.058 1.00 0.00 C ATOM 708 CE LYS A 47 10.277 18.380 7.833 1.00 0.00 C ATOM 709 NZ LYS A 47 9.929 18.305 9.281 1.00 0.00 N ATOM 0 H LYS A 47 6.305 15.945 4.504 1.00 0.00 H new ATOM 0 HA LYS A 47 5.452 16.871 6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.905 19.482 5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.161 18.976 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.859 17.385 7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.300 17.196 6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.441 19.331 6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.712 19.850 7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.507 17.385 7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.170 18.989 7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.786 18.448 9.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.234 19.044 9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.524 17.371 9.493 1.00 0.00 H new ATOM 723 N LEU A 48 3.416 17.806 5.197 1.00 0.00 N ATOM 724 CA LEU A 48 2.201 18.478 4.658 1.00 0.00 C ATOM 725 C LEU A 48 1.645 19.440 5.711 1.00 0.00 C ATOM 726 O LEU A 48 0.574 19.991 5.560 1.00 0.00 O ATOM 727 CB LEU A 48 1.152 17.398 4.302 1.00 0.00 C ATOM 728 CG LEU A 48 0.414 17.764 3.007 1.00 0.00 C ATOM 729 CD1 LEU A 48 -0.393 16.558 2.521 1.00 0.00 C ATOM 730 CD2 LEU A 48 -0.533 18.946 3.254 1.00 0.00 C ATOM 0 H LEU A 48 3.253 16.890 5.614 1.00 0.00 H new ATOM 0 HA LEU A 48 2.448 19.047 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.643 16.432 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.436 17.296 5.118 1.00 0.00 H new ATOM 0 HG LEU A 48 1.145 18.046 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.917 16.818 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.280 15.722 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.118 16.274 3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.051 19.197 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.263 18.674 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.042 19.808 3.593 1.00 0.00 H new ATOM 742 N GLU A 49 2.376 19.658 6.770 1.00 0.00 N ATOM 743 CA GLU A 49 1.908 20.599 7.829 1.00 0.00 C ATOM 744 C GLU A 49 2.609 21.937 7.625 1.00 0.00 C ATOM 745 O GLU A 49 2.831 22.684 8.557 1.00 0.00 O ATOM 746 CB GLU A 49 2.265 20.040 9.209 1.00 0.00 C ATOM 747 CG GLU A 49 1.355 18.852 9.531 1.00 0.00 C ATOM 748 CD GLU A 49 -0.062 19.355 9.815 1.00 0.00 C ATOM 749 OE1 GLU A 49 -0.196 20.275 10.603 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.989 18.809 9.237 1.00 0.00 O ATOM 0 H GLU A 49 3.281 19.223 6.949 1.00 0.00 H new ATOM 0 HA GLU A 49 0.827 20.726 7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.309 19.727 9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.151 20.815 9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.343 18.153 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.740 18.310 10.395 1.00 0.00 H new ATOM 757 N ASP A 50 2.976 22.240 6.407 1.00 0.00 N ATOM 758 CA ASP A 50 3.683 23.526 6.136 1.00 0.00 C ATOM 759 C ASP A 50 3.344 24.033 4.735 1.00 0.00 C ATOM 760 O ASP A 50 2.981 25.178 4.552 1.00 0.00 O ATOM 761 CB ASP A 50 5.194 23.286 6.251 1.00 0.00 C ATOM 762 CG ASP A 50 5.912 24.599 6.578 1.00 0.00 C ATOM 763 OD1 ASP A 50 6.155 25.363 5.659 1.00 0.00 O ATOM 764 OD2 ASP A 50 6.205 24.817 7.742 1.00 0.00 O ATOM 0 H ASP A 50 2.817 21.652 5.589 1.00 0.00 H new ATOM 0 HA ASP A 50 3.366 24.278 6.859 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.395 22.549 7.029 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.577 22.876 5.317 1.00 0.00 H new ATOM 769 N LYS A 51 3.468 23.200 3.745 1.00 0.00 N ATOM 770 CA LYS A 51 3.160 23.653 2.364 1.00 0.00 C ATOM 771 C LYS A 51 1.666 23.979 2.257 1.00 0.00 C ATOM 772 O LYS A 51 1.003 24.197 3.252 1.00 0.00 O ATOM 773 CB LYS A 51 3.578 22.556 1.372 1.00 0.00 C ATOM 774 CG LYS A 51 2.612 21.364 1.419 1.00 0.00 C ATOM 775 CD LYS A 51 2.976 20.364 0.313 1.00 0.00 C ATOM 776 CE LYS A 51 4.341 19.730 0.598 1.00 0.00 C ATOM 777 NZ LYS A 51 4.465 18.461 -0.175 1.00 0.00 N ATOM 0 H LYS A 51 3.768 22.229 3.831 1.00 0.00 H new ATOM 0 HA LYS A 51 3.717 24.559 2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.604 22.966 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.588 22.218 1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.664 20.879 2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.586 21.709 1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.213 19.588 0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.997 20.870 -0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.140 20.418 0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.447 19.532 1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.469 18.267 -0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.060 17.678 0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.953 18.552 -1.075 1.00 0.00 H new ATOM 791 N SER A 52 1.125 24.018 1.068 1.00 0.00 N ATOM 792 CA SER A 52 -0.320 24.332 0.929 1.00 0.00 C ATOM 793 C SER A 52 -1.149 23.119 1.395 1.00 0.00 C ATOM 794 O SER A 52 -0.901 22.008 0.968 1.00 0.00 O ATOM 795 CB SER A 52 -0.633 24.626 -0.539 1.00 0.00 C ATOM 796 OG SER A 52 -1.964 25.115 -0.646 1.00 0.00 O ATOM 0 H SER A 52 1.621 23.846 0.194 1.00 0.00 H new ATOM 0 HA SER A 52 -0.569 25.202 1.537 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.069 25.361 -0.933 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.516 23.722 -1.136 1.00 0.00 H new ATOM 0 HG SER A 52 -2.168 25.306 -1.585 1.00 0.00 H new ATOM 802 N PRO A 53 -2.125 23.312 2.259 1.00 0.00 N ATOM 803 CA PRO A 53 -2.983 22.198 2.769 1.00 0.00 C ATOM 804 C PRO A 53 -4.112 21.871 1.793 1.00 0.00 C ATOM 805 O PRO A 53 -4.829 20.909 1.958 1.00 0.00 O ATOM 806 CB PRO A 53 -3.563 22.793 4.045 1.00 0.00 C ATOM 807 CG PRO A 53 -3.776 24.217 3.674 1.00 0.00 C ATOM 808 CD PRO A 53 -2.542 24.600 2.857 1.00 0.00 C ATOM 0 HA PRO A 53 -2.432 21.268 2.912 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.495 22.306 4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.878 22.692 4.887 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.689 24.341 3.092 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.874 24.845 4.559 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.778 25.342 2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.759 25.026 3.484 1.00 0.00 H new ATOM 816 N ASP A 54 -4.272 22.696 0.797 1.00 0.00 N ATOM 817 CA ASP A 54 -5.350 22.501 -0.209 1.00 0.00 C ATOM 818 C ASP A 54 -6.709 22.839 0.418 1.00 0.00 C ATOM 819 O ASP A 54 -6.959 23.979 0.758 1.00 0.00 O ATOM 820 CB ASP A 54 -5.326 21.067 -0.747 1.00 0.00 C ATOM 821 CG ASP A 54 -3.879 20.635 -0.983 1.00 0.00 C ATOM 822 OD1 ASP A 54 -3.205 21.293 -1.759 1.00 0.00 O ATOM 823 OD2 ASP A 54 -3.469 19.654 -0.386 1.00 0.00 O ATOM 0 H ASP A 54 -3.687 23.516 0.635 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.183 23.172 -1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.807 20.393 -0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.891 21.007 -1.677 1.00 0.00 H new ATOM 828 N SER A 55 -7.601 21.893 0.578 1.00 0.00 N ATOM 829 CA SER A 55 -8.917 22.260 1.181 1.00 0.00 C ATOM 830 C SER A 55 -9.762 21.037 1.591 1.00 0.00 C ATOM 831 O SER A 55 -10.507 21.132 2.543 1.00 0.00 O ATOM 832 CB SER A 55 -9.705 23.113 0.179 1.00 0.00 C ATOM 833 OG SER A 55 -11.099 22.923 0.387 1.00 0.00 O ATOM 0 H SER A 55 -7.481 20.912 0.326 1.00 0.00 H new ATOM 0 HA SER A 55 -8.709 22.817 2.094 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.449 24.165 0.300 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.438 22.835 -0.841 1.00 0.00 H new ATOM 0 HG SER A 55 -11.603 23.469 -0.252 1.00 0.00 H new ATOM 839 N PRO A 56 -9.686 19.918 0.900 1.00 0.00 N ATOM 840 CA PRO A 56 -10.494 18.703 1.258 1.00 0.00 C ATOM 841 C PRO A 56 -10.259 18.238 2.698 1.00 0.00 C ATOM 842 O PRO A 56 -10.148 17.059 2.957 1.00 0.00 O ATOM 843 CB PRO A 56 -10.005 17.639 0.260 1.00 0.00 C ATOM 844 CG PRO A 56 -9.524 18.433 -0.904 1.00 0.00 C ATOM 845 CD PRO A 56 -8.859 19.661 -0.291 1.00 0.00 C ATOM 0 HA PRO A 56 -11.564 18.901 1.201 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.207 17.030 0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.808 16.959 -0.025 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.819 17.862 -1.508 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.349 18.715 -1.558 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.819 19.469 -0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.863 20.508 -0.977 1.00 0.00 H new ATOM 853 N GLU A 57 -10.164 19.145 3.637 1.00 0.00 N ATOM 854 CA GLU A 57 -9.911 18.728 5.042 1.00 0.00 C ATOM 855 C GLU A 57 -8.710 17.790 5.019 1.00 0.00 C ATOM 856 O GLU A 57 -8.531 16.956 5.883 1.00 0.00 O ATOM 857 CB GLU A 57 -11.145 18.000 5.594 1.00 0.00 C ATOM 858 CG GLU A 57 -11.092 17.976 7.125 1.00 0.00 C ATOM 859 CD GLU A 57 -12.330 17.262 7.670 1.00 0.00 C ATOM 860 OE1 GLU A 57 -12.878 16.437 6.956 1.00 0.00 O ATOM 861 OE2 GLU A 57 -12.712 17.554 8.792 1.00 0.00 O ATOM 0 H GLU A 57 -10.251 20.150 3.489 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.713 19.589 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.054 18.501 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.182 16.982 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.189 17.466 7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.046 18.993 7.513 1.00 0.00 H new ATOM 868 N MET A 58 -7.907 17.913 3.993 1.00 0.00 N ATOM 869 CA MET A 58 -6.731 17.035 3.840 1.00 0.00 C ATOM 870 C MET A 58 -7.234 15.612 3.604 1.00 0.00 C ATOM 871 O MET A 58 -6.475 14.699 3.350 1.00 0.00 O ATOM 872 CB MET A 58 -5.860 17.117 5.095 1.00 0.00 C ATOM 873 CG MET A 58 -5.807 18.572 5.630 1.00 0.00 C ATOM 874 SD MET A 58 -6.872 18.744 7.092 1.00 0.00 S ATOM 875 CE MET A 58 -5.864 17.795 8.261 1.00 0.00 C ATOM 0 H MET A 58 -8.027 18.599 3.248 1.00 0.00 H new ATOM 0 HA MET A 58 -6.119 17.346 2.994 1.00 0.00 H new ATOM 0 HB2 MET A 58 -6.258 16.455 5.864 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.852 16.771 4.868 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.781 18.836 5.886 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.130 19.265 4.853 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.478 17.026 8.730 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.036 17.325 7.730 1.00 0.00 H new ATOM 0 HE3 MET A 58 -5.471 18.462 9.028 1.00 0.00 H new ATOM 885 N LYS A 59 -8.529 15.449 3.656 1.00 0.00 N ATOM 886 CA LYS A 59 -9.163 14.124 3.424 1.00 0.00 C ATOM 887 C LYS A 59 -8.591 13.505 2.163 1.00 0.00 C ATOM 888 O LYS A 59 -8.210 12.354 2.131 1.00 0.00 O ATOM 889 CB LYS A 59 -10.664 14.359 3.202 1.00 0.00 C ATOM 890 CG LYS A 59 -11.439 13.016 3.155 1.00 0.00 C ATOM 891 CD LYS A 59 -11.728 12.606 1.703 1.00 0.00 C ATOM 892 CE LYS A 59 -12.233 11.162 1.677 1.00 0.00 C ATOM 893 NZ LYS A 59 -13.501 11.067 2.452 1.00 0.00 N ATOM 0 H LYS A 59 -9.189 16.201 3.855 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.983 13.465 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.060 14.983 4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.816 14.903 2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.858 12.238 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.376 13.112 3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.472 13.272 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.825 12.699 1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.398 10.841 0.648 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.483 10.495 2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.985 10.176 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.288 11.089 3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.117 11.869 2.210 1.00 0.00 H new ATOM 907 N ASP A 60 -8.548 14.271 1.120 1.00 0.00 N ATOM 908 CA ASP A 60 -8.030 13.762 -0.165 1.00 0.00 C ATOM 909 C ASP A 60 -6.659 13.108 0.057 1.00 0.00 C ATOM 910 O ASP A 60 -6.272 12.206 -0.658 1.00 0.00 O ATOM 911 CB ASP A 60 -7.953 14.948 -1.133 1.00 0.00 C ATOM 912 CG ASP A 60 -7.006 14.639 -2.297 1.00 0.00 C ATOM 913 OD1 ASP A 60 -7.199 13.620 -2.939 1.00 0.00 O ATOM 914 OD2 ASP A 60 -6.106 15.430 -2.528 1.00 0.00 O ATOM 0 H ASP A 60 -8.855 15.244 1.105 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.683 12.999 -0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.947 15.175 -1.518 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.607 15.835 -0.602 1.00 0.00 H new ATOM 919 N PHE A 61 -5.937 13.521 1.064 1.00 0.00 N ATOM 920 CA PHE A 61 -4.622 12.881 1.342 1.00 0.00 C ATOM 921 C PHE A 61 -4.887 11.543 2.041 1.00 0.00 C ATOM 922 O PHE A 61 -4.488 10.484 1.590 1.00 0.00 O ATOM 923 CB PHE A 61 -3.792 13.803 2.248 1.00 0.00 C ATOM 924 CG PHE A 61 -2.322 13.459 2.132 1.00 0.00 C ATOM 925 CD1 PHE A 61 -1.658 13.646 0.913 1.00 0.00 C ATOM 926 CD2 PHE A 61 -1.623 12.959 3.239 1.00 0.00 C ATOM 927 CE1 PHE A 61 -0.298 13.334 0.800 1.00 0.00 C ATOM 928 CE2 PHE A 61 -0.261 12.647 3.125 1.00 0.00 C ATOM 929 CZ PHE A 61 0.401 12.835 1.907 1.00 0.00 C ATOM 0 H PHE A 61 -6.201 14.271 1.703 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.068 12.712 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.953 14.844 1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.118 13.698 3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.196 14.031 0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.133 12.814 4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.213 13.478 -0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.278 12.261 3.978 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.451 12.596 1.820 1.00 0.00 H new ATOM 939 N ARG A 62 -5.579 11.603 3.146 1.00 0.00 N ATOM 940 CA ARG A 62 -5.911 10.371 3.911 1.00 0.00 C ATOM 941 C ARG A 62 -6.700 9.410 3.015 1.00 0.00 C ATOM 942 O ARG A 62 -6.615 8.207 3.150 1.00 0.00 O ATOM 943 CB ARG A 62 -6.753 10.780 5.128 1.00 0.00 C ATOM 944 CG ARG A 62 -5.947 11.759 6.030 1.00 0.00 C ATOM 945 CD ARG A 62 -6.718 13.068 6.210 1.00 0.00 C ATOM 946 NE ARG A 62 -5.925 14.002 7.059 1.00 0.00 N ATOM 947 CZ ARG A 62 -5.950 13.886 8.361 1.00 0.00 C ATOM 948 NH1 ARG A 62 -6.686 12.966 8.923 1.00 0.00 N ATOM 949 NH2 ARG A 62 -5.241 14.693 9.101 1.00 0.00 N ATOM 0 H ARG A 62 -5.933 12.467 3.556 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.003 9.866 4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.677 11.254 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.035 9.895 5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.762 11.301 7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.974 11.960 5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.916 13.522 5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.685 12.872 6.673 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.362 14.733 6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.243 12.336 8.346 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.704 12.877 9.939 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.667 15.414 8.664 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.260 14.603 10.117 1.00 0.00 H new ATOM 963 N HIS A 63 -7.460 9.937 2.092 1.00 0.00 N ATOM 964 CA HIS A 63 -8.249 9.065 1.174 1.00 0.00 C ATOM 965 C HIS A 63 -7.288 8.231 0.331 1.00 0.00 C ATOM 966 O HIS A 63 -7.519 7.073 0.091 1.00 0.00 O ATOM 967 CB HIS A 63 -9.129 9.951 0.263 1.00 0.00 C ATOM 968 CG HIS A 63 -10.399 9.228 -0.095 1.00 0.00 C ATOM 969 ND1 HIS A 63 -11.016 8.356 0.784 1.00 0.00 N ATOM 970 CD2 HIS A 63 -11.179 9.238 -1.224 1.00 0.00 C ATOM 971 CE1 HIS A 63 -12.112 7.880 0.181 1.00 0.00 C ATOM 972 NE2 HIS A 63 -12.263 8.382 -1.048 1.00 0.00 N ATOM 0 H HIS A 63 -7.569 10.939 1.934 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.892 8.398 1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.365 10.886 0.771 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.582 10.210 -0.643 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -10.982 9.820 -2.112 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -12.793 7.174 0.634 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -13.010 8.182 -1.713 1.00 0.00 H new ATOM 980 N GLY A 64 -6.207 8.796 -0.113 1.00 0.00 N ATOM 981 CA GLY A 64 -5.269 7.993 -0.940 1.00 0.00 C ATOM 982 C GLY A 64 -4.751 6.819 -0.112 1.00 0.00 C ATOM 983 O GLY A 64 -4.499 5.750 -0.632 1.00 0.00 O ATOM 0 H GLY A 64 -5.933 9.764 0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.774 7.628 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.437 8.613 -1.274 1.00 0.00 H new ATOM 987 N PHE A 65 -4.617 6.990 1.176 1.00 0.00 N ATOM 988 CA PHE A 65 -4.149 5.851 2.023 1.00 0.00 C ATOM 989 C PHE A 65 -5.347 4.953 2.323 1.00 0.00 C ATOM 990 O PHE A 65 -5.252 3.743 2.297 1.00 0.00 O ATOM 991 CB PHE A 65 -3.549 6.376 3.328 1.00 0.00 C ATOM 992 CG PHE A 65 -2.271 7.115 3.020 1.00 0.00 C ATOM 993 CD1 PHE A 65 -1.073 6.410 2.857 1.00 0.00 C ATOM 994 CD2 PHE A 65 -2.288 8.504 2.891 1.00 0.00 C ATOM 995 CE1 PHE A 65 0.110 7.102 2.565 1.00 0.00 C ATOM 996 CE2 PHE A 65 -1.110 9.194 2.598 1.00 0.00 C ATOM 997 CZ PHE A 65 0.089 8.496 2.434 1.00 0.00 C ATOM 0 H PHE A 65 -4.809 7.858 1.675 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.380 5.287 1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.256 7.039 3.827 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.351 5.549 4.010 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.060 5.335 2.956 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.213 9.046 3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.037 6.561 2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.126 10.269 2.498 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.999 9.031 2.206 1.00 0.00 H new ATOM 1007 N ASP A 66 -6.485 5.540 2.584 1.00 0.00 N ATOM 1008 CA ASP A 66 -7.695 4.719 2.857 1.00 0.00 C ATOM 1009 C ASP A 66 -8.132 4.059 1.549 1.00 0.00 C ATOM 1010 O ASP A 66 -8.372 2.868 1.485 1.00 0.00 O ATOM 1011 CB ASP A 66 -8.820 5.616 3.379 1.00 0.00 C ATOM 1012 CG ASP A 66 -9.956 4.747 3.923 1.00 0.00 C ATOM 1013 OD1 ASP A 66 -9.979 3.570 3.606 1.00 0.00 O ATOM 1014 OD2 ASP A 66 -10.784 5.275 4.647 1.00 0.00 O ATOM 0 H ASP A 66 -6.626 6.550 2.619 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.472 3.960 3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.442 6.272 4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.190 6.257 2.578 1.00 0.00 H new ATOM 1019 N ILE A 67 -8.223 4.829 0.494 1.00 0.00 N ATOM 1020 CA ILE A 67 -8.631 4.249 -0.814 1.00 0.00 C ATOM 1021 C ILE A 67 -7.665 3.113 -1.163 1.00 0.00 C ATOM 1022 O ILE A 67 -8.056 2.082 -1.677 1.00 0.00 O ATOM 1023 CB ILE A 67 -8.581 5.336 -1.909 1.00 0.00 C ATOM 1024 CG1 ILE A 67 -9.736 6.344 -1.710 1.00 0.00 C ATOM 1025 CG2 ILE A 67 -8.695 4.695 -3.298 1.00 0.00 C ATOM 1026 CD1 ILE A 67 -11.111 5.648 -1.760 1.00 0.00 C ATOM 0 H ILE A 67 -8.032 5.831 0.485 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.650 3.866 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.628 5.860 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.618 6.849 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.687 7.111 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.658 5.472 -4.061 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.868 4.001 -3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.639 4.156 -3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.899 6.388 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -11.239 5.165 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.168 4.899 -0.970 1.00 0.00 H new ATOM 1038 N LEU A 68 -6.407 3.296 -0.878 1.00 0.00 N ATOM 1039 CA LEU A 68 -5.408 2.235 -1.179 1.00 0.00 C ATOM 1040 C LEU A 68 -5.831 0.943 -0.469 1.00 0.00 C ATOM 1041 O LEU A 68 -5.802 -0.130 -1.038 1.00 0.00 O ATOM 1042 CB LEU A 68 -4.031 2.704 -0.681 1.00 0.00 C ATOM 1043 CG LEU A 68 -3.024 1.544 -0.644 1.00 0.00 C ATOM 1044 CD1 LEU A 68 -2.953 0.855 -2.016 1.00 0.00 C ATOM 1045 CD2 LEU A 68 -1.642 2.101 -0.285 1.00 0.00 C ATOM 0 H LEU A 68 -6.026 4.139 -0.448 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.352 2.045 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.656 3.493 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.130 3.134 0.316 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.343 0.814 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.236 0.035 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.936 0.464 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.637 1.576 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.918 1.287 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.337 2.830 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.686 2.583 0.692 1.00 0.00 H new ATOM 1057 N VAL A 69 -6.235 1.035 0.766 1.00 0.00 N ATOM 1058 CA VAL A 69 -6.660 -0.178 1.502 1.00 0.00 C ATOM 1059 C VAL A 69 -7.887 -0.778 0.812 1.00 0.00 C ATOM 1060 O VAL A 69 -8.247 -1.912 1.043 1.00 0.00 O ATOM 1061 CB VAL A 69 -7.024 0.218 2.942 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -7.860 -0.884 3.609 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -5.740 0.460 3.745 1.00 0.00 C ATOM 0 H VAL A 69 -6.288 1.904 1.297 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.854 -0.912 1.514 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.617 1.133 2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.108 -0.586 4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.778 -1.038 3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.288 -1.811 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.997 0.741 4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.142 -0.451 3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.167 1.263 3.281 1.00 0.00 H new ATOM 1073 N GLY A 70 -8.544 -0.019 -0.013 1.00 0.00 N ATOM 1074 CA GLY A 70 -9.764 -0.539 -0.686 1.00 0.00 C ATOM 1075 C GLY A 70 -9.398 -1.495 -1.823 1.00 0.00 C ATOM 1076 O GLY A 70 -10.030 -2.516 -2.011 1.00 0.00 O ATOM 0 H GLY A 70 -8.290 0.940 -0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.392 -1.055 0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.349 0.292 -1.079 1.00 0.00 H new ATOM 1080 N GLN A 71 -8.388 -1.180 -2.586 1.00 0.00 N ATOM 1081 CA GLN A 71 -7.998 -2.086 -3.707 1.00 0.00 C ATOM 1082 C GLN A 71 -7.217 -3.251 -3.115 1.00 0.00 C ATOM 1083 O GLN A 71 -7.314 -4.376 -3.564 1.00 0.00 O ATOM 1084 CB GLN A 71 -7.206 -1.292 -4.777 1.00 0.00 C ATOM 1085 CG GLN A 71 -5.681 -1.381 -4.576 1.00 0.00 C ATOM 1086 CD GLN A 71 -5.130 -2.633 -5.264 1.00 0.00 C ATOM 1087 OE1 GLN A 71 -3.997 -2.644 -5.693 1.00 0.00 O ATOM 1088 NE2 GLN A 71 -5.889 -3.685 -5.401 1.00 0.00 N ATOM 0 H GLN A 71 -7.818 -0.340 -2.484 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.870 -2.490 -4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.461 -1.671 -5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.512 -0.246 -4.748 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.200 -0.492 -4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.448 -1.410 -3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.843 -3.676 -5.040 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.529 -4.516 -5.869 1.00 0.00 H new ATOM 1097 N ILE A 72 -6.492 -2.995 -2.070 1.00 0.00 N ATOM 1098 CA ILE A 72 -5.756 -4.088 -1.398 1.00 0.00 C ATOM 1099 C ILE A 72 -6.789 -4.913 -0.634 1.00 0.00 C ATOM 1100 O ILE A 72 -6.638 -6.103 -0.441 1.00 0.00 O ATOM 1101 CB ILE A 72 -4.701 -3.488 -0.442 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -3.414 -3.225 -1.224 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -4.383 -4.460 0.704 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -2.462 -2.348 -0.403 1.00 0.00 C ATOM 0 H ILE A 72 -6.378 -2.072 -1.652 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.228 -4.719 -2.113 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.099 -2.564 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.929 -4.170 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.648 -2.734 -2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.638 -4.014 1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.292 -4.665 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.993 -5.392 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.550 -2.169 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.944 -1.396 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.214 -2.855 0.530 1.00 0.00 H new ATOM 1116 N ASP A 73 -7.839 -4.275 -0.190 1.00 0.00 N ATOM 1117 CA ASP A 73 -8.882 -5.013 0.569 1.00 0.00 C ATOM 1118 C ASP A 73 -9.485 -6.110 -0.321 1.00 0.00 C ATOM 1119 O ASP A 73 -9.549 -7.261 0.060 1.00 0.00 O ATOM 1120 CB ASP A 73 -9.958 -4.010 1.034 1.00 0.00 C ATOM 1121 CG ASP A 73 -11.312 -4.704 1.275 1.00 0.00 C ATOM 1122 OD1 ASP A 73 -11.847 -5.265 0.333 1.00 0.00 O ATOM 1123 OD2 ASP A 73 -11.793 -4.649 2.395 1.00 0.00 O ATOM 0 H ASP A 73 -8.017 -3.279 -0.321 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.450 -5.494 1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.630 -3.522 1.952 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.077 -3.229 0.283 1.00 0.00 H new ATOM 1128 N ASP A 74 -9.935 -5.764 -1.498 1.00 0.00 N ATOM 1129 CA ASP A 74 -10.536 -6.795 -2.392 1.00 0.00 C ATOM 1130 C ASP A 74 -9.475 -7.838 -2.730 1.00 0.00 C ATOM 1131 O ASP A 74 -9.772 -8.998 -2.907 1.00 0.00 O ATOM 1132 CB ASP A 74 -11.033 -6.139 -3.682 1.00 0.00 C ATOM 1133 CG ASP A 74 -11.670 -7.201 -4.583 1.00 0.00 C ATOM 1134 OD1 ASP A 74 -12.530 -7.920 -4.103 1.00 0.00 O ATOM 1135 OD2 ASP A 74 -11.286 -7.275 -5.740 1.00 0.00 O ATOM 0 H ASP A 74 -9.913 -4.817 -1.877 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.377 -7.270 -1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.760 -5.360 -3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.204 -5.657 -4.200 1.00 0.00 H new ATOM 1140 N ALA A 75 -8.237 -7.446 -2.811 1.00 0.00 N ATOM 1141 CA ALA A 75 -7.183 -8.441 -3.119 1.00 0.00 C ATOM 1142 C ALA A 75 -6.963 -9.302 -1.881 1.00 0.00 C ATOM 1143 O ALA A 75 -6.707 -10.486 -1.972 1.00 0.00 O ATOM 1144 CB ALA A 75 -5.882 -7.731 -3.501 1.00 0.00 C ATOM 0 H ALA A 75 -7.913 -6.488 -2.678 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.492 -9.063 -3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.115 -8.472 -3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.052 -7.108 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.551 -7.106 -2.671 1.00 0.00 H new ATOM 1150 N LEU A 76 -7.087 -8.723 -0.714 1.00 0.00 N ATOM 1151 CA LEU A 76 -6.915 -9.514 0.523 1.00 0.00 C ATOM 1152 C LEU A 76 -7.883 -10.698 0.434 1.00 0.00 C ATOM 1153 O LEU A 76 -7.629 -11.775 0.936 1.00 0.00 O ATOM 1154 CB LEU A 76 -7.250 -8.591 1.726 1.00 0.00 C ATOM 1155 CG LEU A 76 -6.260 -8.795 2.919 1.00 0.00 C ATOM 1156 CD1 LEU A 76 -5.599 -7.459 3.290 1.00 0.00 C ATOM 1157 CD2 LEU A 76 -7.011 -9.330 4.149 1.00 0.00 C ATOM 0 H LEU A 76 -7.300 -7.736 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.900 -9.890 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.218 -7.550 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.268 -8.790 2.062 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.499 -9.513 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.911 -7.612 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.049 -7.074 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.366 -6.742 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.310 -9.467 4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.781 -8.617 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.475 -10.285 3.905 1.00 0.00 H new ATOM 1169 N LYS A 77 -8.982 -10.490 -0.237 1.00 0.00 N ATOM 1170 CA LYS A 77 -9.981 -11.556 -0.425 1.00 0.00 C ATOM 1171 C LYS A 77 -9.434 -12.609 -1.386 1.00 0.00 C ATOM 1172 O LYS A 77 -9.488 -13.795 -1.130 1.00 0.00 O ATOM 1173 CB LYS A 77 -11.233 -10.933 -1.041 1.00 0.00 C ATOM 1174 CG LYS A 77 -12.394 -11.922 -0.918 1.00 0.00 C ATOM 1175 CD LYS A 77 -13.048 -11.798 0.480 1.00 0.00 C ATOM 1176 CE LYS A 77 -13.483 -13.178 0.992 1.00 0.00 C ATOM 1177 NZ LYS A 77 -14.174 -13.024 2.304 1.00 0.00 N ATOM 0 H LYS A 77 -9.227 -9.600 -0.670 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.211 -12.023 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.478 -10.000 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.056 -10.689 -2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.134 -11.725 -1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.034 -12.939 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.343 -11.349 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.911 -11.134 0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.149 -13.652 0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.615 -13.828 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.470 -13.958 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.524 -12.588 2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.011 -12.418 2.187 1.00 0.00 H new ATOM 1191 N LEU A 78 -8.918 -12.171 -2.501 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.375 -13.128 -3.497 1.00 0.00 C ATOM 1193 C LEU A 78 -7.306 -13.967 -2.805 1.00 0.00 C ATOM 1194 O LEU A 78 -7.160 -15.146 -3.062 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.781 -12.327 -4.674 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.835 -12.166 -5.783 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -10.096 -11.500 -5.208 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.260 -11.300 -6.919 1.00 0.00 C ATOM 0 H LEU A 78 -8.850 -11.188 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.150 -13.788 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.451 -11.347 -4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.902 -12.839 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.098 -13.148 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.840 -11.388 -5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.504 -12.121 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.839 -10.519 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.008 -11.187 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.992 -10.318 -6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.372 -11.781 -7.330 1.00 0.00 H new ATOM 1210 N ALA A 79 -6.587 -13.374 -1.901 1.00 0.00 N ATOM 1211 CA ALA A 79 -5.558 -14.136 -1.152 1.00 0.00 C ATOM 1212 C ALA A 79 -6.259 -15.207 -0.314 1.00 0.00 C ATOM 1213 O ALA A 79 -5.887 -16.364 -0.319 1.00 0.00 O ATOM 1214 CB ALA A 79 -4.806 -13.179 -0.225 1.00 0.00 C ATOM 0 H ALA A 79 -6.668 -12.389 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.855 -14.603 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.047 -13.731 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.327 -12.400 -0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.507 -12.724 0.474 1.00 0.00 H new ATOM 1220 N ASN A 80 -7.266 -14.813 0.423 1.00 0.00 N ATOM 1221 CA ASN A 80 -7.996 -15.781 1.288 1.00 0.00 C ATOM 1222 C ASN A 80 -8.879 -16.722 0.452 1.00 0.00 C ATOM 1223 O ASN A 80 -9.362 -17.720 0.947 1.00 0.00 O ATOM 1224 CB ASN A 80 -8.870 -15.008 2.297 1.00 0.00 C ATOM 1225 CG ASN A 80 -8.960 -15.817 3.588 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -10.031 -16.204 4.012 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -7.858 -16.086 4.228 1.00 0.00 N ATOM 0 H ASN A 80 -7.614 -13.855 0.461 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.263 -16.389 1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.439 -14.027 2.496 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.865 -14.842 1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.889 -16.626 5.093 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.964 -15.757 3.864 1.00 0.00 H new ATOM 1234 N GLU A 81 -9.118 -16.410 -0.798 1.00 0.00 N ATOM 1235 CA GLU A 81 -9.999 -17.294 -1.630 1.00 0.00 C ATOM 1236 C GLU A 81 -9.152 -18.295 -2.422 1.00 0.00 C ATOM 1237 O GLU A 81 -9.669 -19.230 -3.001 1.00 0.00 O ATOM 1238 CB GLU A 81 -10.808 -16.431 -2.602 1.00 0.00 C ATOM 1239 CG GLU A 81 -11.943 -15.736 -1.846 1.00 0.00 C ATOM 1240 CD GLU A 81 -13.014 -16.763 -1.477 1.00 0.00 C ATOM 1241 OE1 GLU A 81 -13.701 -17.223 -2.376 1.00 0.00 O ATOM 1242 OE2 GLU A 81 -13.131 -17.075 -0.304 1.00 0.00 O ATOM 0 H GLU A 81 -8.746 -15.590 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.672 -17.844 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.161 -15.689 -3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.215 -17.050 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.556 -15.259 -0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.376 -14.949 -2.463 1.00 0.00 H new ATOM 1249 N GLY A 82 -7.857 -18.124 -2.437 1.00 0.00 N ATOM 1250 CA GLY A 82 -6.977 -19.086 -3.177 1.00 0.00 C ATOM 1251 C GLY A 82 -6.628 -18.544 -4.568 1.00 0.00 C ATOM 1252 O GLY A 82 -6.111 -19.261 -5.403 1.00 0.00 O ATOM 0 H GLY A 82 -7.367 -17.361 -1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.063 -19.260 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.481 -20.048 -3.272 1.00 0.00 H new ATOM 1256 N LYS A 83 -6.893 -17.288 -4.828 1.00 0.00 N ATOM 1257 CA LYS A 83 -6.558 -16.711 -6.173 1.00 0.00 C ATOM 1258 C LYS A 83 -5.184 -16.034 -6.089 1.00 0.00 C ATOM 1259 O LYS A 83 -5.068 -14.842 -5.879 1.00 0.00 O ATOM 1260 CB LYS A 83 -7.622 -15.691 -6.606 1.00 0.00 C ATOM 1261 CG LYS A 83 -9.012 -16.149 -6.173 1.00 0.00 C ATOM 1262 CD LYS A 83 -9.263 -17.593 -6.636 1.00 0.00 C ATOM 1263 CE LYS A 83 -10.770 -17.879 -6.664 1.00 0.00 C ATOM 1264 NZ LYS A 83 -11.362 -17.309 -7.908 1.00 0.00 N ATOM 0 H LYS A 83 -7.325 -16.637 -4.172 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.536 -17.510 -6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.401 -14.718 -6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.595 -15.566 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.102 -16.086 -5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.769 -15.487 -6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.837 -17.745 -7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.764 -18.291 -5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.948 -18.954 -6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.250 -17.443 -5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.351 -17.617 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.325 -16.271 -7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.823 -17.641 -8.733 1.00 0.00 H new ATOM 1278 N VAL A 84 -4.151 -16.806 -6.237 1.00 0.00 N ATOM 1279 CA VAL A 84 -2.757 -16.268 -6.159 1.00 0.00 C ATOM 1280 C VAL A 84 -2.402 -15.552 -7.454 1.00 0.00 C ATOM 1281 O VAL A 84 -2.050 -14.392 -7.444 1.00 0.00 O ATOM 1282 CB VAL A 84 -1.772 -17.421 -5.919 1.00 0.00 C ATOM 1283 CG1 VAL A 84 -0.371 -16.852 -5.677 1.00 0.00 C ATOM 1284 CG2 VAL A 84 -2.219 -18.220 -4.693 1.00 0.00 C ATOM 0 H VAL A 84 -4.208 -17.809 -6.413 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.694 -15.560 -5.333 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.752 -18.074 -6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.329 -17.670 -5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.055 -16.280 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.389 -16.201 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.522 -19.040 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.237 -17.567 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.217 -18.623 -4.865 1.00 0.00 H new ATOM 1294 N LYS A 85 -2.498 -16.219 -8.569 1.00 0.00 N ATOM 1295 CA LYS A 85 -2.161 -15.547 -9.856 1.00 0.00 C ATOM 1296 C LYS A 85 -2.901 -14.210 -9.918 1.00 0.00 C ATOM 1297 O LYS A 85 -2.369 -13.209 -10.355 1.00 0.00 O ATOM 1298 CB LYS A 85 -2.595 -16.432 -11.036 1.00 0.00 C ATOM 1299 CG LYS A 85 -1.731 -17.722 -11.102 1.00 0.00 C ATOM 1300 CD LYS A 85 -2.444 -18.888 -10.401 1.00 0.00 C ATOM 1301 CE LYS A 85 -1.650 -20.178 -10.621 1.00 0.00 C ATOM 1302 NZ LYS A 85 -2.111 -21.215 -9.655 1.00 0.00 N ATOM 0 H LYS A 85 -2.793 -17.192 -8.646 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.085 -15.382 -9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.647 -16.698 -10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.499 -15.876 -11.969 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.535 -17.982 -12.142 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.765 -17.543 -10.630 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.537 -18.683 -9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.455 -18.999 -10.794 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.786 -20.532 -11.643 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.585 -19.989 -10.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.572 -22.092 -9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.960 -20.876 -8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.123 -21.402 -9.803 1.00 0.00 H new ATOM 1316 N GLU A 86 -4.123 -14.186 -9.460 1.00 0.00 N ATOM 1317 CA GLU A 86 -4.902 -12.927 -9.461 1.00 0.00 C ATOM 1318 C GLU A 86 -4.313 -11.977 -8.421 1.00 0.00 C ATOM 1319 O GLU A 86 -4.139 -10.801 -8.668 1.00 0.00 O ATOM 1320 CB GLU A 86 -6.366 -13.219 -9.118 1.00 0.00 C ATOM 1321 CG GLU A 86 -6.962 -14.177 -10.161 1.00 0.00 C ATOM 1322 CD GLU A 86 -6.406 -15.596 -9.981 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -5.736 -15.837 -8.992 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -6.666 -16.422 -10.842 1.00 0.00 O ATOM 0 H GLU A 86 -4.615 -14.996 -9.083 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.854 -12.470 -10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.435 -13.660 -8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.936 -12.290 -9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.048 -14.193 -10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.733 -13.817 -11.164 1.00 0.00 H new ATOM 1331 N ALA A 87 -4.009 -12.477 -7.250 1.00 0.00 N ATOM 1332 CA ALA A 87 -3.437 -11.585 -6.200 1.00 0.00 C ATOM 1333 C ALA A 87 -2.043 -11.121 -6.633 1.00 0.00 C ATOM 1334 O ALA A 87 -1.650 -9.989 -6.432 1.00 0.00 O ATOM 1335 CB ALA A 87 -3.337 -12.347 -4.877 1.00 0.00 C ATOM 0 H ALA A 87 -4.131 -13.453 -6.979 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.084 -10.718 -6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.919 -11.693 -4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.330 -12.676 -4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.691 -13.215 -5.005 1.00 0.00 H new ATOM 1341 N GLN A 88 -1.308 -12.005 -7.227 1.00 0.00 N ATOM 1342 CA GLN A 88 0.067 -11.698 -7.708 1.00 0.00 C ATOM 1343 C GLN A 88 0.007 -10.578 -8.766 1.00 0.00 C ATOM 1344 O GLN A 88 0.557 -9.501 -8.591 1.00 0.00 O ATOM 1345 CB GLN A 88 0.614 -13.021 -8.290 1.00 0.00 C ATOM 1346 CG GLN A 88 1.552 -12.789 -9.475 1.00 0.00 C ATOM 1347 CD GLN A 88 2.489 -13.994 -9.622 1.00 0.00 C ATOM 1348 OE1 GLN A 88 3.602 -13.860 -10.091 1.00 0.00 O ATOM 1349 NE2 GLN A 88 2.075 -15.177 -9.237 1.00 0.00 N ATOM 0 H GLN A 88 -1.610 -12.963 -7.408 1.00 0.00 H new ATOM 0 HA GLN A 88 0.721 -11.337 -6.914 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.145 -13.566 -7.510 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.219 -13.648 -8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.975 -12.649 -10.389 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.132 -11.879 -9.322 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.140 -15.287 -8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.688 -15.987 -9.331 1.00 0.00 H new ATOM 1358 N ALA A 89 -0.643 -10.829 -9.862 1.00 0.00 N ATOM 1359 CA ALA A 89 -0.727 -9.794 -10.934 1.00 0.00 C ATOM 1360 C ALA A 89 -1.169 -8.458 -10.325 1.00 0.00 C ATOM 1361 O ALA A 89 -0.720 -7.403 -10.735 1.00 0.00 O ATOM 1362 CB ALA A 89 -1.743 -10.235 -11.991 1.00 0.00 C ATOM 0 H ALA A 89 -1.122 -11.706 -10.067 1.00 0.00 H new ATOM 0 HA ALA A 89 0.252 -9.674 -11.398 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.805 -9.479 -12.774 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.427 -11.183 -12.426 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.722 -10.357 -11.527 1.00 0.00 H new ATOM 1368 N ALA A 90 -2.017 -8.482 -9.334 1.00 0.00 N ATOM 1369 CA ALA A 90 -2.435 -7.197 -8.711 1.00 0.00 C ATOM 1370 C ALA A 90 -1.183 -6.550 -8.122 1.00 0.00 C ATOM 1371 O ALA A 90 -1.016 -5.353 -8.152 1.00 0.00 O ATOM 1372 CB ALA A 90 -3.466 -7.460 -7.606 1.00 0.00 C ATOM 0 H ALA A 90 -2.433 -9.323 -8.934 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.895 -6.540 -9.449 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.766 -6.514 -7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.340 -7.952 -8.033 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.026 -8.102 -6.843 1.00 0.00 H new ATOM 1378 N ALA A 91 -0.281 -7.341 -7.616 1.00 0.00 N ATOM 1379 CA ALA A 91 0.975 -6.768 -7.054 1.00 0.00 C ATOM 1380 C ALA A 91 1.571 -5.814 -8.091 1.00 0.00 C ATOM 1381 O ALA A 91 1.991 -4.719 -7.773 1.00 0.00 O ATOM 1382 CB ALA A 91 1.968 -7.895 -6.764 1.00 0.00 C ATOM 0 H ALA A 91 -0.357 -8.357 -7.566 1.00 0.00 H new ATOM 0 HA ALA A 91 0.765 -6.235 -6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.886 -7.474 -6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.532 -8.588 -6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.195 -8.427 -7.688 1.00 0.00 H new ATOM 1388 N GLU A 92 1.584 -6.206 -9.337 1.00 0.00 N ATOM 1389 CA GLU A 92 2.120 -5.300 -10.387 1.00 0.00 C ATOM 1390 C GLU A 92 1.236 -4.049 -10.427 1.00 0.00 C ATOM 1391 O GLU A 92 1.669 -2.983 -10.818 1.00 0.00 O ATOM 1392 CB GLU A 92 2.113 -6.019 -11.751 1.00 0.00 C ATOM 1393 CG GLU A 92 3.471 -6.711 -11.981 1.00 0.00 C ATOM 1394 CD GLU A 92 3.313 -7.861 -12.981 1.00 0.00 C ATOM 1395 OE1 GLU A 92 2.750 -8.875 -12.604 1.00 0.00 O ATOM 1396 OE2 GLU A 92 3.761 -7.705 -14.105 1.00 0.00 O ATOM 0 H GLU A 92 1.248 -7.110 -9.669 1.00 0.00 H new ATOM 0 HA GLU A 92 3.149 -5.017 -10.164 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.309 -6.755 -11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.919 -5.303 -12.549 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.197 -5.989 -12.356 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.859 -7.091 -11.036 1.00 0.00 H new ATOM 1403 N GLN A 93 0.010 -4.163 -9.983 1.00 0.00 N ATOM 1404 CA GLN A 93 -0.878 -2.973 -9.953 1.00 0.00 C ATOM 1405 C GLN A 93 -0.393 -2.102 -8.801 1.00 0.00 C ATOM 1406 O GLN A 93 -0.369 -0.890 -8.878 1.00 0.00 O ATOM 1407 CB GLN A 93 -2.335 -3.422 -9.702 1.00 0.00 C ATOM 1408 CG GLN A 93 -3.353 -2.316 -10.087 1.00 0.00 C ATOM 1409 CD GLN A 93 -3.848 -1.566 -8.835 1.00 0.00 C ATOM 1410 OE1 GLN A 93 -5.014 -1.237 -8.737 1.00 0.00 O ATOM 1411 NE2 GLN A 93 -3.012 -1.284 -7.871 1.00 0.00 N ATOM 0 H GLN A 93 -0.409 -5.028 -9.642 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.850 -2.427 -10.896 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.542 -4.323 -10.279 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.460 -3.681 -8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.888 -1.612 -10.778 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.200 -2.761 -10.608 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.033 -1.558 -7.949 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.339 -0.790 -7.041 1.00 0.00 H new ATOM 1420 N LEU A 94 0.007 -2.733 -7.731 1.00 0.00 N ATOM 1421 CA LEU A 94 0.512 -1.980 -6.554 1.00 0.00 C ATOM 1422 C LEU A 94 1.843 -1.328 -6.928 1.00 0.00 C ATOM 1423 O LEU A 94 2.083 -0.172 -6.660 1.00 0.00 O ATOM 1424 CB LEU A 94 0.731 -2.945 -5.384 1.00 0.00 C ATOM 1425 CG LEU A 94 -0.581 -3.178 -4.635 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -1.565 -3.930 -5.530 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -0.299 -4.024 -3.403 1.00 0.00 C ATOM 0 H LEU A 94 0.004 -3.747 -7.624 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.211 -1.218 -6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.120 -3.894 -5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.479 -2.538 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.010 -2.217 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.498 -4.092 -4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.763 -3.343 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.137 -4.892 -5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.228 -4.197 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.127 -4.980 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.407 -3.502 -2.757 1.00 0.00 H new ATOM 1439 N LYS A 95 2.711 -2.063 -7.561 1.00 0.00 N ATOM 1440 CA LYS A 95 4.015 -1.475 -7.963 1.00 0.00 C ATOM 1441 C LYS A 95 3.731 -0.155 -8.692 1.00 0.00 C ATOM 1442 O LYS A 95 4.407 0.843 -8.504 1.00 0.00 O ATOM 1443 CB LYS A 95 4.740 -2.474 -8.877 1.00 0.00 C ATOM 1444 CG LYS A 95 5.110 -3.751 -8.071 1.00 0.00 C ATOM 1445 CD LYS A 95 6.496 -4.275 -8.485 1.00 0.00 C ATOM 1446 CE LYS A 95 7.604 -3.316 -8.002 1.00 0.00 C ATOM 1447 NZ LYS A 95 8.833 -4.101 -7.694 1.00 0.00 N ATOM 0 H LYS A 95 2.575 -3.041 -7.816 1.00 0.00 H new ATOM 0 HA LYS A 95 4.652 -1.275 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.103 -2.737 -9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.641 -2.018 -9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.104 -3.528 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.359 -4.523 -8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.657 -5.267 -8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.543 -4.378 -9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.817 -2.571 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.272 -2.775 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.583 -3.458 -7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.624 -4.795 -6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.151 -4.598 -8.550 1.00 0.00 H new ATOM 1461 N THR A 96 2.698 -0.137 -9.490 1.00 0.00 N ATOM 1462 CA THR A 96 2.324 1.115 -10.201 1.00 0.00 C ATOM 1463 C THR A 96 1.714 2.102 -9.199 1.00 0.00 C ATOM 1464 O THR A 96 1.869 3.298 -9.332 1.00 0.00 O ATOM 1465 CB THR A 96 1.303 0.794 -11.296 1.00 0.00 C ATOM 1466 OG1 THR A 96 1.926 0.013 -12.308 1.00 0.00 O ATOM 1467 CG2 THR A 96 0.777 2.094 -11.906 1.00 0.00 C ATOM 0 H THR A 96 2.096 -0.939 -9.679 1.00 0.00 H new ATOM 0 HA THR A 96 3.210 1.559 -10.655 1.00 0.00 H new ATOM 0 HB THR A 96 0.472 0.236 -10.864 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.273 -0.195 -13.009 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.051 1.863 -12.685 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.299 2.693 -11.130 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.606 2.655 -12.338 1.00 0.00 H new ATOM 1475 N THR A 97 1.034 1.622 -8.186 1.00 0.00 N ATOM 1476 CA THR A 97 0.449 2.572 -7.195 1.00 0.00 C ATOM 1477 C THR A 97 1.604 3.381 -6.616 1.00 0.00 C ATOM 1478 O THR A 97 1.552 4.590 -6.522 1.00 0.00 O ATOM 1479 CB THR A 97 -0.267 1.812 -6.065 1.00 0.00 C ATOM 1480 OG1 THR A 97 -1.557 1.413 -6.507 1.00 0.00 O ATOM 1481 CG2 THR A 97 -0.406 2.709 -4.829 1.00 0.00 C ATOM 0 H THR A 97 0.862 0.633 -8.006 1.00 0.00 H new ATOM 0 HA THR A 97 -0.286 3.216 -7.678 1.00 0.00 H new ATOM 0 HB THR A 97 0.321 0.933 -5.801 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.013 0.927 -5.788 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.914 2.160 -4.036 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.583 3.010 -4.485 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.986 3.595 -5.086 1.00 0.00 H new ATOM 1489 N ILE A 98 2.656 2.708 -6.239 1.00 0.00 N ATOM 1490 CA ILE A 98 3.834 3.405 -5.679 1.00 0.00 C ATOM 1491 C ILE A 98 4.196 4.556 -6.608 1.00 0.00 C ATOM 1492 O ILE A 98 4.531 5.641 -6.179 1.00 0.00 O ATOM 1493 CB ILE A 98 4.986 2.417 -5.637 1.00 0.00 C ATOM 1494 CG1 ILE A 98 4.612 1.206 -4.750 1.00 0.00 C ATOM 1495 CG2 ILE A 98 6.248 3.113 -5.114 1.00 0.00 C ATOM 1496 CD1 ILE A 98 4.932 1.485 -3.273 1.00 0.00 C ATOM 0 H ILE A 98 2.745 1.694 -6.298 1.00 0.00 H new ATOM 0 HA ILE A 98 3.626 3.786 -4.679 1.00 0.00 H new ATOM 0 HB ILE A 98 5.187 2.051 -6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.551 0.984 -4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.158 0.324 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.072 2.400 -5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.507 3.941 -5.774 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.064 3.494 -4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.659 0.618 -2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.998 1.682 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.366 2.353 -2.936 1.00 0.00 H new ATOM 1508 N ARG A 99 4.129 4.326 -7.891 1.00 0.00 N ATOM 1509 CA ARG A 99 4.461 5.412 -8.837 1.00 0.00 C ATOM 1510 C ARG A 99 3.438 6.548 -8.685 1.00 0.00 C ATOM 1511 O ARG A 99 3.786 7.692 -8.445 1.00 0.00 O ATOM 1512 CB ARG A 99 4.437 4.885 -10.275 1.00 0.00 C ATOM 1513 CG ARG A 99 4.899 6.000 -11.252 1.00 0.00 C ATOM 1514 CD ARG A 99 5.950 5.461 -12.232 1.00 0.00 C ATOM 1515 NE ARG A 99 6.503 6.598 -13.012 1.00 0.00 N ATOM 1516 CZ ARG A 99 7.474 6.400 -13.862 1.00 0.00 C ATOM 1517 NH1 ARG A 99 7.971 5.204 -14.016 1.00 0.00 N ATOM 1518 NH2 ARG A 99 7.952 7.399 -14.553 1.00 0.00 N ATOM 0 H ARG A 99 3.860 3.439 -8.316 1.00 0.00 H new ATOM 0 HA ARG A 99 5.461 5.786 -8.617 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.090 4.017 -10.365 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.431 4.555 -10.534 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.042 6.384 -11.805 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.315 6.835 -10.688 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.747 4.952 -11.689 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.501 4.727 -12.901 1.00 0.00 H new ATOM 0 HE ARG A 99 6.123 7.536 -12.883 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.601 4.424 -13.473 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.730 5.049 -14.680 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.567 8.335 -14.429 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.711 7.243 -15.217 1.00 0.00 H new ATOM 1532 N ALA A 100 2.172 6.238 -8.819 1.00 0.00 N ATOM 1533 CA ALA A 100 1.121 7.289 -8.678 1.00 0.00 C ATOM 1534 C ALA A 100 1.154 7.838 -7.253 1.00 0.00 C ATOM 1535 O ALA A 100 0.677 8.919 -6.967 1.00 0.00 O ATOM 1536 CB ALA A 100 -0.254 6.678 -8.956 1.00 0.00 C ATOM 0 H ALA A 100 1.822 5.301 -9.020 1.00 0.00 H new ATOM 0 HA ALA A 100 1.308 8.094 -9.389 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.021 7.446 -8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.276 6.277 -9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.446 5.875 -8.244 1.00 0.00 H new ATOM 1542 N TYR A 101 1.732 7.117 -6.349 1.00 0.00 N ATOM 1543 CA TYR A 101 1.806 7.625 -4.968 1.00 0.00 C ATOM 1544 C TYR A 101 2.871 8.722 -4.946 1.00 0.00 C ATOM 1545 O TYR A 101 2.796 9.660 -4.189 1.00 0.00 O ATOM 1546 CB TYR A 101 2.193 6.478 -4.038 1.00 0.00 C ATOM 1547 CG TYR A 101 2.652 7.006 -2.710 1.00 0.00 C ATOM 1548 CD1 TYR A 101 3.974 7.420 -2.565 1.00 0.00 C ATOM 1549 CD2 TYR A 101 1.768 7.080 -1.631 1.00 0.00 C ATOM 1550 CE1 TYR A 101 4.421 7.910 -1.340 1.00 0.00 C ATOM 1551 CE2 TYR A 101 2.213 7.571 -0.401 1.00 0.00 C ATOM 1552 CZ TYR A 101 3.542 7.987 -0.253 1.00 0.00 C ATOM 1553 OH TYR A 101 3.983 8.469 0.963 1.00 0.00 O ATOM 0 H TYR A 101 2.154 6.202 -6.506 1.00 0.00 H new ATOM 0 HA TYR A 101 0.850 8.028 -4.635 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.340 5.814 -3.896 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.986 5.885 -4.494 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.653 7.361 -3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.744 6.759 -1.747 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.446 8.231 -1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 101 1.532 7.630 0.435 1.00 0.00 H new ATOM 0 HH TYR A 101 3.245 8.455 1.607 1.00 0.00 H new ATOM 1563 N ASN A 102 3.869 8.608 -5.777 1.00 0.00 N ATOM 1564 CA ASN A 102 4.929 9.653 -5.787 1.00 0.00 C ATOM 1565 C ASN A 102 4.353 10.982 -6.284 1.00 0.00 C ATOM 1566 O ASN A 102 4.645 12.018 -5.721 1.00 0.00 O ATOM 1567 CB ASN A 102 6.141 9.187 -6.626 1.00 0.00 C ATOM 1568 CG ASN A 102 6.736 10.321 -7.487 1.00 0.00 C ATOM 1569 OD1 ASN A 102 7.169 10.087 -8.598 1.00 0.00 O ATOM 1570 ND2 ASN A 102 6.777 11.543 -7.021 1.00 0.00 N ATOM 0 H ASN A 102 3.996 7.846 -6.443 1.00 0.00 H new ATOM 0 HA ASN A 102 5.288 9.813 -4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.912 8.798 -5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.836 8.365 -7.274 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.171 12.293 -7.590 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.415 11.746 -6.089 1.00 0.00 H new ATOM 1577 N GLN A 103 3.536 11.003 -7.308 1.00 0.00 N ATOM 1578 CA GLN A 103 3.011 12.332 -7.720 1.00 0.00 C ATOM 1579 C GLN A 103 2.192 12.837 -6.541 1.00 0.00 C ATOM 1580 O GLN A 103 1.927 14.014 -6.400 1.00 0.00 O ATOM 1581 CB GLN A 103 2.181 12.259 -9.013 1.00 0.00 C ATOM 1582 CG GLN A 103 1.130 11.160 -8.918 1.00 0.00 C ATOM 1583 CD GLN A 103 -0.014 11.632 -8.021 1.00 0.00 C ATOM 1584 OE1 GLN A 103 -0.824 12.442 -8.427 1.00 0.00 O ATOM 1585 NE2 GLN A 103 -0.117 11.160 -6.814 1.00 0.00 N ATOM 0 H GLN A 103 3.224 10.198 -7.851 1.00 0.00 H new ATOM 0 HA GLN A 103 3.825 13.017 -7.957 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.696 13.218 -9.194 1.00 0.00 H new ATOM 0 HB3 GLN A 103 2.838 12.069 -9.862 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.752 10.915 -9.911 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.574 10.251 -8.513 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.562 10.480 -6.473 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.877 11.470 -6.209 1.00 0.00 H new ATOM 1594 N LYS A 104 1.865 11.940 -5.641 1.00 0.00 N ATOM 1595 CA LYS A 104 1.150 12.345 -4.400 1.00 0.00 C ATOM 1596 C LYS A 104 2.218 12.860 -3.421 1.00 0.00 C ATOM 1597 O LYS A 104 1.986 13.776 -2.658 1.00 0.00 O ATOM 1598 CB LYS A 104 0.363 11.134 -3.822 1.00 0.00 C ATOM 1599 CG LYS A 104 0.774 10.806 -2.379 1.00 0.00 C ATOM 1600 CD LYS A 104 -0.062 9.638 -1.858 1.00 0.00 C ATOM 1601 CE LYS A 104 -1.535 10.041 -1.673 1.00 0.00 C ATOM 1602 NZ LYS A 104 -1.632 11.444 -1.174 1.00 0.00 N ATOM 0 H LYS A 104 2.065 10.943 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 104 0.417 13.129 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.705 11.350 -3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.530 10.261 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.833 10.553 -2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.632 11.680 -1.743 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.003 8.802 -2.555 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.345 9.293 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.066 9.948 -2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.018 9.364 -0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.592 11.619 -0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.944 11.588 -0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.427 12.104 -1.951 1.00 0.00 H new ATOM 1616 N TYR A 105 3.402 12.277 -3.452 1.00 0.00 N ATOM 1617 CA TYR A 105 4.492 12.735 -2.540 1.00 0.00 C ATOM 1618 C TYR A 105 5.318 13.806 -3.266 1.00 0.00 C ATOM 1619 O TYR A 105 6.332 14.265 -2.777 1.00 0.00 O ATOM 1620 CB TYR A 105 5.348 11.514 -2.082 1.00 0.00 C ATOM 1621 CG TYR A 105 6.824 11.736 -2.337 1.00 0.00 C ATOM 1622 CD1 TYR A 105 7.279 11.790 -3.648 1.00 0.00 C ATOM 1623 CD2 TYR A 105 7.721 11.888 -1.274 1.00 0.00 C ATOM 1624 CE1 TYR A 105 8.637 11.995 -3.915 1.00 0.00 C ATOM 1625 CE2 TYR A 105 9.082 12.093 -1.534 1.00 0.00 C ATOM 1626 CZ TYR A 105 9.540 12.147 -2.857 1.00 0.00 C ATOM 1627 OH TYR A 105 10.880 12.351 -3.116 1.00 0.00 O ATOM 0 H TYR A 105 3.652 11.506 -4.071 1.00 0.00 H new ATOM 0 HA TYR A 105 4.083 13.184 -1.635 1.00 0.00 H new ATOM 0 HB2 TYR A 105 5.186 11.334 -1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.018 10.620 -2.611 1.00 0.00 H new ATOM 0 HD1 TYR A 105 6.582 11.673 -4.465 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.365 11.847 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 105 8.988 12.036 -4.936 1.00 0.00 H new ATOM 0 HE2 TYR A 105 9.777 12.209 -0.716 1.00 0.00 H new ATOM 0 HH TYR A 105 11.367 12.437 -2.270 1.00 0.00 H new ATOM 1637 N GLY A 106 4.884 14.213 -4.429 1.00 0.00 N ATOM 1638 CA GLY A 106 5.632 15.257 -5.186 1.00 0.00 C ATOM 1639 C GLY A 106 5.209 16.642 -4.691 1.00 0.00 C ATOM 1640 O GLY A 106 5.864 17.157 -3.800 1.00 0.00 O ATOM 1641 OXT GLY A 106 4.234 17.161 -5.209 1.00 0.00 O ATOM 0 H GLY A 106 4.042 13.866 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.705 15.122 -5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 106 5.431 15.163 -6.253 1.00 0.00 H new