USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 809 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 29 TYR OH : rot 30:sc= -3.44! USER MOD Set 1.2: A 97 THR OG1 : rot -111:sc= 0.48 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-6.3!) USER MOD Single : A 38 SER OG : rot 73:sc= 0.356 USER MOD Single : A 47 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.17) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.35 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 100:sc= -1.65 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 65 GLN : amide:sc= -0.275 K(o=-0.28,f=-1.3) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 64:sc= 0.137 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0795 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.152 USER MOD Single : A 80 ASN : amide:sc= -0.0487 K(o=-0.049,f=-1.6!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.123 USER MOD Single : A 89 HIS : no HE2:sc= -2.59! C(o=-2.6!,f=-4.7!) USER MOD Single : A 90 GLN : amide:sc= -1.1 K(o=-1.1,f=-4!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N ARG A 7 6.403 6.196 -3.539 1.00 64.43 N ATOM 64 CA ARG A 7 7.784 6.228 -3.074 1.00 1.11 C ATOM 65 C ARG A 7 8.490 4.908 -3.370 1.00 14.34 C ATOM 66 O ARG A 7 9.610 4.891 -3.881 1.00 72.11 O ATOM 67 CB ARG A 7 7.832 6.519 -1.572 1.00 53.43 C ATOM 68 CG ARG A 7 9.216 6.894 -1.068 1.00 33.01 C ATOM 69 CD ARG A 7 9.184 8.181 -0.258 1.00 23.30 C ATOM 70 NE ARG A 7 9.606 9.335 -1.047 1.00 75.13 N ATOM 71 CZ ARG A 7 9.444 10.593 -0.654 1.00 32.23 C ATOM 72 NH1 ARG A 7 8.872 10.857 0.513 1.00 2.33 N ATOM 73 NH2 ARG A 7 9.854 11.589 -1.428 1.00 12.30 N ATOM 0 HA ARG A 7 8.302 7.024 -3.609 1.00 1.11 H new ATOM 0 HB2 ARG A 7 7.140 7.330 -1.345 1.00 53.43 H new ATOM 0 HB3 ARG A 7 7.483 5.641 -1.029 1.00 53.43 H new ATOM 0 HG2 ARG A 7 9.612 6.086 -0.453 1.00 33.01 H new ATOM 0 HG3 ARG A 7 9.893 7.012 -1.914 1.00 33.01 H new ATOM 0 HD2 ARG A 7 8.174 8.348 0.117 1.00 23.30 H new ATOM 0 HD3 ARG A 7 9.834 8.079 0.611 1.00 23.30 H new ATOM 0 HE ARG A 7 10.050 9.165 -1.950 1.00 75.13 H new ATOM 0 HH11 ARG A 7 8.556 10.093 1.110 1.00 2.33 H new ATOM 0 HH12 ARG A 7 8.748 11.824 0.813 1.00 2.33 H new ATOM 0 HH21 ARG A 7 10.294 11.389 -2.326 1.00 12.30 H new ATOM 0 HH22 ARG A 7 9.729 12.555 -1.125 1.00 12.30 H new ATOM 87 N LEU A 8 7.827 3.803 -3.044 1.00 10.44 N ATOM 88 CA LEU A 8 8.390 2.478 -3.273 1.00 42.02 C ATOM 89 C LEU A 8 8.726 2.277 -4.747 1.00 42.23 C ATOM 90 O LEU A 8 8.177 2.953 -5.618 1.00 11.13 O ATOM 91 CB LEU A 8 7.410 1.399 -2.811 1.00 51.14 C ATOM 92 CG LEU A 8 5.960 1.566 -3.271 1.00 5.33 C ATOM 93 CD1 LEU A 8 5.681 0.694 -4.483 1.00 75.43 C ATOM 94 CD2 LEU A 8 5.000 1.234 -2.138 1.00 23.04 C ATOM 0 H LEU A 8 6.899 3.799 -2.620 1.00 10.44 H new ATOM 0 HA LEU A 8 9.310 2.396 -2.694 1.00 42.02 H new ATOM 0 HB2 LEU A 8 7.772 0.433 -3.162 1.00 51.14 H new ATOM 0 HB3 LEU A 8 7.423 1.367 -1.722 1.00 51.14 H new ATOM 0 HG LEU A 8 5.807 2.607 -3.556 1.00 5.33 H new ATOM 0 HD11 LEU A 8 4.645 0.826 -4.796 1.00 75.43 H new ATOM 0 HD12 LEU A 8 6.345 0.981 -5.298 1.00 75.43 H new ATOM 0 HD13 LEU A 8 5.852 -0.351 -4.226 1.00 75.43 H new ATOM 0 HD21 LEU A 8 3.973 1.358 -2.483 1.00 23.04 H new ATOM 0 HD22 LEU A 8 5.154 0.203 -1.821 1.00 23.04 H new ATOM 0 HD23 LEU A 8 5.184 1.903 -1.297 1.00 23.04 H new ATOM 106 N SER A 9 9.631 1.343 -5.021 1.00 22.11 N ATOM 107 CA SER A 9 10.043 1.054 -6.390 1.00 52.33 C ATOM 108 C SER A 9 9.667 -0.372 -6.780 1.00 62.44 C ATOM 109 O SER A 9 9.011 -1.083 -6.021 1.00 73.32 O ATOM 110 CB SER A 9 11.551 1.257 -6.545 1.00 61.20 C ATOM 111 OG SER A 9 12.271 0.157 -6.017 1.00 44.23 O ATOM 0 H SER A 9 10.093 0.773 -4.313 1.00 22.11 H new ATOM 0 HA SER A 9 9.521 1.743 -7.054 1.00 52.33 H new ATOM 0 HB2 SER A 9 11.797 1.385 -7.599 1.00 61.20 H new ATOM 0 HB3 SER A 9 11.852 2.172 -6.034 1.00 61.20 H new ATOM 0 HG SER A 9 13.232 0.311 -6.130 1.00 44.23 H new ATOM 117 N GLY A 10 10.089 -0.784 -7.972 1.00 42.23 N ATOM 118 CA GLY A 10 9.789 -2.122 -8.445 1.00 34.34 C ATOM 119 C GLY A 10 10.130 -3.188 -7.422 1.00 21.12 C ATOM 120 O GLY A 10 9.375 -4.141 -7.233 1.00 20.13 O ATOM 0 H GLY A 10 10.634 -0.214 -8.619 1.00 42.23 H new ATOM 0 HA2 GLY A 10 8.730 -2.187 -8.694 1.00 34.34 H new ATOM 0 HA3 GLY A 10 10.345 -2.313 -9.363 1.00 34.34 H new ATOM 124 N GLY A 11 11.273 -3.028 -6.761 1.00 40.50 N ATOM 125 CA GLY A 11 11.693 -3.993 -5.762 1.00 2.00 C ATOM 126 C GLY A 11 10.636 -4.229 -4.702 1.00 51.52 C ATOM 127 O GLY A 11 10.187 -5.358 -4.505 1.00 25.43 O ATOM 0 H GLY A 11 11.915 -2.248 -6.900 1.00 40.50 H new ATOM 0 HA2 GLY A 11 11.930 -4.938 -6.251 1.00 2.00 H new ATOM 0 HA3 GLY A 11 12.609 -3.643 -5.286 1.00 2.00 H new ATOM 131 N GLU A 12 10.236 -3.161 -4.019 1.00 21.25 N ATOM 132 CA GLU A 12 9.227 -3.259 -2.971 1.00 71.42 C ATOM 133 C GLU A 12 7.851 -3.545 -3.568 1.00 21.35 C ATOM 134 O GLU A 12 7.005 -4.175 -2.931 1.00 53.33 O ATOM 135 CB GLU A 12 9.181 -1.968 -2.152 1.00 42.34 C ATOM 136 CG GLU A 12 8.852 -2.189 -0.686 1.00 13.31 C ATOM 137 CD GLU A 12 9.945 -1.689 0.239 1.00 62.41 C ATOM 138 OE1 GLU A 12 10.142 -0.459 0.316 1.00 4.31 O ATOM 139 OE2 GLU A 12 10.604 -2.531 0.886 1.00 3.24 O ATOM 0 H GLU A 12 10.595 -2.219 -4.173 1.00 21.25 H new ATOM 0 HA GLU A 12 9.500 -4.086 -2.315 1.00 71.42 H new ATOM 0 HB2 GLU A 12 10.145 -1.465 -2.227 1.00 42.34 H new ATOM 0 HB3 GLU A 12 8.438 -1.299 -2.586 1.00 42.34 H new ATOM 0 HG2 GLU A 12 7.918 -1.681 -0.447 1.00 13.31 H new ATOM 0 HG3 GLU A 12 8.691 -3.253 -0.510 1.00 13.31 H new ATOM 146 N LEU A 13 7.635 -3.077 -4.792 1.00 22.24 N ATOM 147 CA LEU A 13 6.362 -3.280 -5.475 1.00 70.45 C ATOM 148 C LEU A 13 6.079 -4.766 -5.666 1.00 34.50 C ATOM 149 O LEU A 13 4.922 -5.184 -5.738 1.00 33.25 O ATOM 150 CB LEU A 13 6.370 -2.573 -6.831 1.00 72.31 C ATOM 151 CG LEU A 13 5.047 -2.578 -7.599 1.00 3.53 C ATOM 152 CD1 LEU A 13 4.106 -1.520 -7.045 1.00 74.14 C ATOM 153 CD2 LEU A 13 5.292 -2.353 -9.084 1.00 34.14 C ATOM 0 H LEU A 13 8.325 -2.554 -5.332 1.00 22.24 H new ATOM 0 HA LEU A 13 5.573 -2.855 -4.855 1.00 70.45 H new ATOM 0 HB2 LEU A 13 6.673 -1.538 -6.677 1.00 72.31 H new ATOM 0 HB3 LEU A 13 7.132 -3.038 -7.456 1.00 72.31 H new ATOM 0 HG LEU A 13 4.578 -3.554 -7.473 1.00 3.53 H new ATOM 0 HD11 LEU A 13 3.170 -1.538 -7.603 1.00 74.14 H new ATOM 0 HD12 LEU A 13 3.906 -1.726 -5.994 1.00 74.14 H new ATOM 0 HD13 LEU A 13 4.567 -0.537 -7.141 1.00 74.14 H new ATOM 0 HD21 LEU A 13 4.340 -2.360 -9.615 1.00 34.14 H new ATOM 0 HD22 LEU A 13 5.782 -1.391 -9.230 1.00 34.14 H new ATOM 0 HD23 LEU A 13 5.929 -3.148 -9.472 1.00 34.14 H new ATOM 165 N ASP A 14 7.140 -5.561 -5.745 1.00 74.43 N ATOM 166 CA ASP A 14 7.005 -7.002 -5.924 1.00 13.41 C ATOM 167 C ASP A 14 6.237 -7.625 -4.762 1.00 45.14 C ATOM 168 O ASP A 14 5.347 -8.451 -4.963 1.00 63.02 O ATOM 169 CB ASP A 14 8.383 -7.653 -6.048 1.00 43.01 C ATOM 170 CG ASP A 14 8.476 -8.593 -7.235 1.00 10.55 C ATOM 171 OD1 ASP A 14 7.434 -9.161 -7.624 1.00 12.10 O ATOM 172 OD2 ASP A 14 9.589 -8.759 -7.775 1.00 15.25 O ATOM 0 H ASP A 14 8.104 -5.232 -5.688 1.00 74.43 H new ATOM 0 HA ASP A 14 6.444 -7.178 -6.842 1.00 13.41 H new ATOM 0 HB2 ASP A 14 9.141 -6.876 -6.144 1.00 43.01 H new ATOM 0 HB3 ASP A 14 8.605 -8.204 -5.134 1.00 43.01 H new ATOM 177 N LYS A 15 6.589 -7.223 -3.545 1.00 40.11 N ATOM 178 CA LYS A 15 5.934 -7.740 -2.350 1.00 13.01 C ATOM 179 C LYS A 15 4.532 -7.156 -2.201 1.00 5.25 C ATOM 180 O LYS A 15 3.601 -7.851 -1.798 1.00 35.02 O ATOM 181 CB LYS A 15 6.767 -7.418 -1.107 1.00 2.51 C ATOM 182 CG LYS A 15 7.513 -8.617 -0.547 1.00 3.50 C ATOM 183 CD LYS A 15 8.531 -8.200 0.502 1.00 53.25 C ATOM 184 CE LYS A 15 9.756 -9.100 0.477 1.00 4.34 C ATOM 185 NZ LYS A 15 11.016 -8.317 0.332 1.00 53.14 N ATOM 0 H LYS A 15 7.324 -6.541 -3.361 1.00 40.11 H new ATOM 0 HA LYS A 15 5.848 -8.822 -2.453 1.00 13.01 H new ATOM 0 HB2 LYS A 15 7.486 -6.637 -1.354 1.00 2.51 H new ATOM 0 HB3 LYS A 15 6.111 -7.016 -0.335 1.00 2.51 H new ATOM 0 HG2 LYS A 15 6.802 -9.316 -0.107 1.00 3.50 H new ATOM 0 HG3 LYS A 15 8.018 -9.143 -1.357 1.00 3.50 H new ATOM 0 HD2 LYS A 15 8.833 -7.167 0.327 1.00 53.25 H new ATOM 0 HD3 LYS A 15 8.072 -8.235 1.490 1.00 53.25 H new ATOM 0 HE2 LYS A 15 9.796 -9.685 1.396 1.00 4.34 H new ATOM 0 HE3 LYS A 15 9.671 -9.807 -0.348 1.00 4.34 H new ATOM 0 HZ1 LYS A 15 11.829 -8.966 0.319 1.00 53.14 H new ATOM 0 HZ2 LYS A 15 10.989 -7.778 -0.557 1.00 53.14 H new ATOM 0 HZ3 LYS A 15 11.111 -7.660 1.133 1.00 53.14 H new ATOM 199 N TRP A 16 4.393 -5.877 -2.530 1.00 35.21 N ATOM 200 CA TRP A 16 3.104 -5.201 -2.434 1.00 13.11 C ATOM 201 C TRP A 16 2.058 -5.896 -3.298 1.00 60.54 C ATOM 202 O TRP A 16 0.917 -6.084 -2.877 1.00 1.23 O ATOM 203 CB TRP A 16 3.240 -3.737 -2.857 1.00 41.23 C ATOM 204 CG TRP A 16 1.923 -3.062 -3.096 1.00 71.21 C ATOM 205 CD1 TRP A 16 1.481 -2.519 -4.269 1.00 24.43 C ATOM 206 CD2 TRP A 16 0.879 -2.858 -2.138 1.00 62.04 C ATOM 207 NE1 TRP A 16 0.225 -1.989 -4.097 1.00 30.04 N ATOM 208 CE2 TRP A 16 -0.167 -2.185 -2.799 1.00 23.22 C ATOM 209 CE3 TRP A 16 0.725 -3.180 -0.787 1.00 15.43 C ATOM 210 CZ2 TRP A 16 -1.348 -1.828 -2.154 1.00 32.12 C ATOM 211 CZ3 TRP A 16 -0.447 -2.824 -0.147 1.00 70.12 C ATOM 212 CH2 TRP A 16 -1.471 -2.155 -0.831 1.00 13.13 C ATOM 0 H TRP A 16 5.155 -5.288 -2.865 1.00 35.21 H new ATOM 0 HA TRP A 16 2.777 -5.244 -1.395 1.00 13.11 H new ATOM 0 HB2 TRP A 16 3.784 -3.193 -2.085 1.00 41.23 H new ATOM 0 HB3 TRP A 16 3.838 -3.683 -3.767 1.00 41.23 H new ATOM 0 HD1 TRP A 16 2.037 -2.508 -5.195 1.00 24.43 H new ATOM 0 HE1 TRP A 16 -0.326 -1.525 -4.819 1.00 30.04 H new ATOM 0 HE3 TRP A 16 1.508 -3.698 -0.253 1.00 15.43 H new ATOM 0 HZ2 TRP A 16 -2.138 -1.312 -2.679 1.00 32.12 H new ATOM 0 HZ3 TRP A 16 -0.576 -3.065 0.898 1.00 70.12 H new ATOM 0 HH2 TRP A 16 -2.376 -1.892 -0.303 1.00 13.13 H new ATOM 223 N GLU A 17 2.454 -6.277 -4.509 1.00 30.54 N ATOM 224 CA GLU A 17 1.549 -6.953 -5.431 1.00 63.12 C ATOM 225 C GLU A 17 1.469 -8.445 -5.121 1.00 45.44 C ATOM 226 O GLU A 17 0.619 -9.157 -5.655 1.00 62.33 O ATOM 227 CB GLU A 17 2.009 -6.745 -6.875 1.00 73.13 C ATOM 228 CG GLU A 17 1.911 -5.303 -7.343 1.00 5.32 C ATOM 229 CD GLU A 17 1.544 -5.188 -8.810 1.00 35.32 C ATOM 230 OE1 GLU A 17 2.379 -5.557 -9.661 1.00 64.04 O ATOM 231 OE2 GLU A 17 0.420 -4.730 -9.106 1.00 23.12 O ATOM 0 H GLU A 17 3.395 -6.129 -4.874 1.00 30.54 H new ATOM 0 HA GLU A 17 0.556 -6.521 -5.307 1.00 63.12 H new ATOM 0 HB2 GLU A 17 3.042 -7.080 -6.970 1.00 73.13 H new ATOM 0 HB3 GLU A 17 1.409 -7.373 -7.533 1.00 73.13 H new ATOM 0 HG2 GLU A 17 1.165 -4.781 -6.744 1.00 5.32 H new ATOM 0 HG3 GLU A 17 2.865 -4.804 -7.171 1.00 5.32 H new ATOM 238 N LYS A 18 2.362 -8.911 -4.254 1.00 62.35 N ATOM 239 CA LYS A 18 2.395 -10.318 -3.871 1.00 64.35 C ATOM 240 C LYS A 18 1.090 -10.727 -3.195 1.00 24.54 C ATOM 241 O LYS A 18 0.375 -11.602 -3.685 1.00 0.40 O ATOM 242 CB LYS A 18 3.575 -10.585 -2.933 1.00 53.02 C ATOM 243 CG LYS A 18 3.950 -12.054 -2.831 1.00 42.54 C ATOM 244 CD LYS A 18 5.377 -12.231 -2.342 1.00 11.31 C ATOM 245 CE LYS A 18 6.350 -12.381 -3.502 1.00 3.53 C ATOM 246 NZ LYS A 18 7.663 -12.924 -3.058 1.00 31.32 N ATOM 0 H LYS A 18 3.073 -8.335 -3.803 1.00 62.35 H new ATOM 0 HA LYS A 18 2.517 -10.913 -4.776 1.00 64.35 H new ATOM 0 HB2 LYS A 18 4.440 -10.021 -3.281 1.00 53.02 H new ATOM 0 HB3 LYS A 18 3.330 -10.211 -1.939 1.00 53.02 H new ATOM 0 HG2 LYS A 18 3.265 -12.559 -2.150 1.00 42.54 H new ATOM 0 HG3 LYS A 18 3.837 -12.528 -3.806 1.00 42.54 H new ATOM 0 HD2 LYS A 18 5.663 -11.373 -1.734 1.00 11.31 H new ATOM 0 HD3 LYS A 18 5.436 -13.110 -1.700 1.00 11.31 H new ATOM 0 HE2 LYS A 18 5.919 -13.042 -4.254 1.00 3.53 H new ATOM 0 HE3 LYS A 18 6.500 -11.412 -3.978 1.00 3.53 H new ATOM 0 HZ1 LYS A 18 8.298 -13.011 -3.877 1.00 31.32 H new ATOM 0 HZ2 LYS A 18 8.086 -12.281 -2.359 1.00 31.32 H new ATOM 0 HZ3 LYS A 18 7.524 -13.860 -2.627 1.00 31.32 H new ATOM 260 N ILE A 19 0.788 -10.090 -2.069 1.00 21.33 N ATOM 261 CA ILE A 19 -0.431 -10.388 -1.328 1.00 73.14 C ATOM 262 C ILE A 19 -1.658 -10.300 -2.230 1.00 30.32 C ATOM 263 O ILE A 19 -1.732 -9.446 -3.113 1.00 70.04 O ATOM 264 CB ILE A 19 -0.614 -9.429 -0.137 1.00 70.10 C ATOM 265 CG1 ILE A 19 0.582 -9.524 0.811 1.00 20.54 C ATOM 266 CG2 ILE A 19 -1.908 -9.741 0.601 1.00 10.21 C ATOM 267 CD1 ILE A 19 1.051 -8.183 1.331 1.00 70.24 C ATOM 0 H ILE A 19 1.370 -9.365 -1.650 1.00 21.33 H new ATOM 0 HA ILE A 19 -0.331 -11.406 -0.952 1.00 73.14 H new ATOM 0 HB ILE A 19 -0.672 -8.409 -0.517 1.00 70.10 H new ATOM 0 HG12 ILE A 19 0.316 -10.159 1.656 1.00 20.54 H new ATOM 0 HG13 ILE A 19 1.408 -10.012 0.293 1.00 20.54 H new ATOM 0 HG21 ILE A 19 -2.023 -9.055 1.440 1.00 10.21 H new ATOM 0 HG22 ILE A 19 -2.752 -9.627 -0.080 1.00 10.21 H new ATOM 0 HG23 ILE A 19 -1.877 -10.766 0.972 1.00 10.21 H new ATOM 0 HD11 ILE A 19 1.902 -8.328 1.997 1.00 70.24 H new ATOM 0 HD12 ILE A 19 1.349 -7.552 0.494 1.00 70.24 H new ATOM 0 HD13 ILE A 19 0.240 -7.701 1.878 1.00 70.24 H new ATOM 279 N ARG A 20 -2.620 -11.188 -1.999 1.00 71.54 N ATOM 280 CA ARG A 20 -3.844 -11.211 -2.790 1.00 43.12 C ATOM 281 C ARG A 20 -4.971 -10.476 -2.071 1.00 11.23 C ATOM 282 O ARG A 20 -5.038 -10.473 -0.840 1.00 43.41 O ATOM 283 CB ARG A 20 -4.265 -12.654 -3.077 1.00 45.15 C ATOM 284 CG ARG A 20 -3.279 -13.412 -3.952 1.00 4.24 C ATOM 285 CD ARG A 20 -3.771 -14.819 -4.254 1.00 63.34 C ATOM 286 NE ARG A 20 -2.667 -15.749 -4.475 1.00 41.21 N ATOM 287 CZ ARG A 20 -1.885 -15.720 -5.549 1.00 44.20 C ATOM 288 NH1 ARG A 20 -2.085 -14.811 -6.493 1.00 71.44 N ATOM 289 NH2 ARG A 20 -0.900 -16.599 -5.678 1.00 61.54 N ATOM 0 H ARG A 20 -2.575 -11.901 -1.271 1.00 71.54 H new ATOM 0 HA ARG A 20 -3.645 -10.703 -3.733 1.00 43.12 H new ATOM 0 HB2 ARG A 20 -4.382 -13.185 -2.132 1.00 45.15 H new ATOM 0 HB3 ARG A 20 -5.241 -12.649 -3.563 1.00 45.15 H new ATOM 0 HG2 ARG A 20 -3.128 -12.870 -4.885 1.00 4.24 H new ATOM 0 HG3 ARG A 20 -2.312 -13.463 -3.452 1.00 4.24 H new ATOM 0 HD2 ARG A 20 -4.384 -15.174 -3.426 1.00 63.34 H new ATOM 0 HD3 ARG A 20 -4.410 -14.798 -5.137 1.00 63.34 H new ATOM 0 HE ARG A 20 -2.486 -16.460 -3.766 1.00 41.21 H new ATOM 0 HH11 ARG A 20 -2.840 -14.132 -6.396 1.00 71.44 H new ATOM 0 HH12 ARG A 20 -1.484 -14.790 -7.317 1.00 71.44 H new ATOM 0 HH21 ARG A 20 -0.742 -17.298 -4.952 1.00 61.54 H new ATOM 0 HH22 ARG A 20 -0.300 -16.576 -6.503 1.00 61.54 H new ATOM 303 N LEU A 21 -5.853 -9.853 -2.844 1.00 73.01 N ATOM 304 CA LEU A 21 -6.977 -9.113 -2.280 1.00 63.43 C ATOM 305 C LEU A 21 -7.897 -10.040 -1.490 1.00 12.00 C ATOM 306 O LEU A 21 -8.282 -9.733 -0.362 1.00 22.25 O ATOM 307 CB LEU A 21 -7.766 -8.421 -3.393 1.00 5.45 C ATOM 308 CG LEU A 21 -7.138 -7.151 -3.969 1.00 1.41 C ATOM 309 CD1 LEU A 21 -7.910 -6.682 -5.193 1.00 24.41 C ATOM 310 CD2 LEU A 21 -7.090 -6.053 -2.914 1.00 71.34 C ATOM 0 H LEU A 21 -5.812 -9.845 -3.863 1.00 73.01 H new ATOM 0 HA LEU A 21 -6.580 -8.359 -1.600 1.00 63.43 H new ATOM 0 HB2 LEU A 21 -7.910 -9.133 -4.206 1.00 5.45 H new ATOM 0 HB3 LEU A 21 -8.755 -8.172 -3.009 1.00 5.45 H new ATOM 0 HG LEU A 21 -6.117 -7.380 -4.274 1.00 1.41 H new ATOM 0 HD11 LEU A 21 -7.449 -5.777 -5.589 1.00 24.41 H new ATOM 0 HD12 LEU A 21 -7.893 -7.462 -5.955 1.00 24.41 H new ATOM 0 HD13 LEU A 21 -8.942 -6.471 -4.913 1.00 24.41 H new ATOM 0 HD21 LEU A 21 -6.640 -5.157 -3.342 1.00 71.34 H new ATOM 0 HD22 LEU A 21 -8.102 -5.826 -2.579 1.00 71.34 H new ATOM 0 HD23 LEU A 21 -6.493 -6.389 -2.066 1.00 71.34 H new ATOM 322 N ARG A 22 -8.244 -11.174 -2.091 1.00 4.35 N ATOM 323 CA ARG A 22 -9.118 -12.144 -1.443 1.00 63.40 C ATOM 324 C ARG A 22 -8.343 -13.402 -1.058 1.00 44.43 C ATOM 325 O ARG A 22 -7.228 -13.640 -1.524 1.00 50.45 O ATOM 326 CB ARG A 22 -10.281 -12.512 -2.366 1.00 4.15 C ATOM 327 CG ARG A 22 -11.588 -11.830 -1.998 1.00 32.02 C ATOM 328 CD ARG A 22 -12.147 -11.030 -3.164 1.00 14.31 C ATOM 329 NE ARG A 22 -13.606 -10.977 -3.143 1.00 13.03 N ATOM 330 CZ ARG A 22 -14.383 -12.005 -3.468 1.00 21.14 C ATOM 331 NH1 ARG A 22 -13.843 -13.159 -3.835 1.00 71.12 N ATOM 332 NH2 ARG A 22 -15.704 -11.880 -3.423 1.00 64.11 N ATOM 0 H ARG A 22 -7.933 -11.443 -3.025 1.00 4.35 H new ATOM 0 HA ARG A 22 -9.514 -11.689 -0.535 1.00 63.40 H new ATOM 0 HB2 ARG A 22 -10.019 -12.248 -3.390 1.00 4.15 H new ATOM 0 HB3 ARG A 22 -10.425 -13.592 -2.342 1.00 4.15 H new ATOM 0 HG2 ARG A 22 -12.316 -12.580 -1.688 1.00 32.02 H new ATOM 0 HG3 ARG A 22 -11.428 -11.169 -1.146 1.00 32.02 H new ATOM 0 HD2 ARG A 22 -11.747 -10.016 -3.133 1.00 14.31 H new ATOM 0 HD3 ARG A 22 -11.814 -11.475 -4.102 1.00 14.31 H new ATOM 0 HE ARG A 22 -14.053 -10.104 -2.864 1.00 13.03 H new ATOM 0 HH11 ARG A 22 -12.829 -13.260 -3.868 1.00 71.12 H new ATOM 0 HH12 ARG A 22 -14.442 -13.946 -4.084 1.00 71.12 H new ATOM 0 HH21 ARG A 22 -16.123 -10.995 -3.139 1.00 64.11 H new ATOM 0 HH22 ARG A 22 -16.300 -12.669 -3.673 1.00 64.11 H new ATOM 346 N PRO A 23 -8.945 -14.226 -0.189 1.00 74.12 N ATOM 347 CA PRO A 23 -8.330 -15.473 0.277 1.00 5.43 C ATOM 348 C PRO A 23 -8.255 -16.528 -0.822 1.00 3.45 C ATOM 349 O PRO A 23 -7.205 -17.127 -1.049 1.00 3.12 O ATOM 350 CB PRO A 23 -9.265 -15.932 1.397 1.00 73.10 C ATOM 351 CG PRO A 23 -10.583 -15.320 1.067 1.00 4.12 C ATOM 352 CD PRO A 23 -10.273 -14.005 0.406 1.00 52.01 C ATOM 0 HA PRO A 23 -7.299 -15.324 0.598 1.00 5.43 H new ATOM 0 HB2 PRO A 23 -9.332 -17.019 1.436 1.00 73.10 H new ATOM 0 HB3 PRO A 23 -8.908 -15.600 2.372 1.00 73.10 H new ATOM 0 HG2 PRO A 23 -11.158 -15.965 0.403 1.00 4.12 H new ATOM 0 HG3 PRO A 23 -11.182 -15.174 1.966 1.00 4.12 H new ATOM 0 HD2 PRO A 23 -11.015 -13.751 -0.351 1.00 52.01 H new ATOM 0 HD3 PRO A 23 -10.259 -13.187 1.126 1.00 52.01 H new ATOM 360 N GLY A 24 -9.377 -16.749 -1.500 1.00 65.54 N ATOM 361 CA GLY A 24 -9.415 -17.732 -2.567 1.00 74.12 C ATOM 362 C GLY A 24 -9.735 -17.115 -3.914 1.00 44.52 C ATOM 363 O GLY A 24 -10.468 -17.695 -4.714 1.00 24.35 O ATOM 0 H GLY A 24 -10.259 -16.266 -1.330 1.00 65.54 H new ATOM 0 HA2 GLY A 24 -8.452 -18.240 -2.623 1.00 74.12 H new ATOM 0 HA3 GLY A 24 -10.162 -18.490 -2.332 1.00 74.12 H new ATOM 367 N GLY A 25 -9.184 -15.930 -4.166 1.00 14.13 N ATOM 368 CA GLY A 25 -9.429 -15.251 -5.426 1.00 22.22 C ATOM 369 C GLY A 25 -8.185 -15.164 -6.288 1.00 23.04 C ATOM 370 O GLY A 25 -7.165 -15.783 -5.984 1.00 73.31 O ATOM 0 H GLY A 25 -8.573 -15.429 -3.521 1.00 14.13 H new ATOM 0 HA2 GLY A 25 -10.211 -15.778 -5.973 1.00 22.22 H new ATOM 0 HA3 GLY A 25 -9.801 -14.246 -5.227 1.00 22.22 H new ATOM 374 N LYS A 26 -8.268 -14.393 -7.367 1.00 3.03 N ATOM 375 CA LYS A 26 -7.141 -14.226 -8.276 1.00 73.40 C ATOM 376 C LYS A 26 -6.710 -12.765 -8.347 1.00 54.22 C ATOM 377 O LYS A 26 -5.812 -12.407 -9.109 1.00 12.44 O ATOM 378 CB LYS A 26 -7.508 -14.728 -9.675 1.00 14.01 C ATOM 379 CG LYS A 26 -7.465 -16.241 -9.809 1.00 30.10 C ATOM 380 CD LYS A 26 -6.043 -16.769 -9.709 1.00 13.51 C ATOM 381 CE LYS A 26 -5.972 -18.247 -10.059 1.00 63.02 C ATOM 382 NZ LYS A 26 -4.915 -18.951 -9.282 1.00 44.22 N ATOM 0 H LYS A 26 -9.105 -13.874 -7.633 1.00 3.03 H new ATOM 0 HA LYS A 26 -6.308 -14.814 -7.892 1.00 73.40 H new ATOM 0 HB2 LYS A 26 -8.509 -14.378 -9.927 1.00 14.01 H new ATOM 0 HB3 LYS A 26 -6.824 -14.288 -10.401 1.00 14.01 H new ATOM 0 HG2 LYS A 26 -8.078 -16.694 -9.030 1.00 30.10 H new ATOM 0 HG3 LYS A 26 -7.897 -16.535 -10.766 1.00 30.10 H new ATOM 0 HD2 LYS A 26 -5.396 -16.204 -10.380 1.00 13.51 H new ATOM 0 HD3 LYS A 26 -5.667 -16.615 -8.698 1.00 13.51 H new ATOM 0 HE2 LYS A 26 -6.938 -18.713 -9.863 1.00 63.02 H new ATOM 0 HE3 LYS A 26 -5.774 -18.359 -11.125 1.00 63.02 H new ATOM 0 HZ1 LYS A 26 -4.899 -19.956 -9.549 1.00 44.22 H new ATOM 0 HZ2 LYS A 26 -3.990 -18.523 -9.488 1.00 44.22 H new ATOM 0 HZ3 LYS A 26 -5.117 -18.867 -8.265 1.00 44.22 H new ATOM 396 N LYS A 27 -7.356 -11.923 -7.547 1.00 30.55 N ATOM 397 CA LYS A 27 -7.039 -10.501 -7.515 1.00 44.24 C ATOM 398 C LYS A 27 -5.972 -10.204 -6.467 1.00 2.02 C ATOM 399 O LYS A 27 -5.936 -10.832 -5.410 1.00 35.13 O ATOM 400 CB LYS A 27 -8.298 -9.682 -7.222 1.00 32.41 C ATOM 401 CG LYS A 27 -9.460 -10.001 -8.147 1.00 73.33 C ATOM 402 CD LYS A 27 -10.283 -8.762 -8.455 1.00 41.42 C ATOM 403 CE LYS A 27 -11.718 -9.119 -8.813 1.00 21.44 C ATOM 404 NZ LYS A 27 -12.553 -7.907 -9.036 1.00 21.42 N ATOM 0 H LYS A 27 -8.103 -12.202 -6.911 1.00 30.55 H new ATOM 0 HA LYS A 27 -6.650 -10.220 -8.494 1.00 44.24 H new ATOM 0 HB2 LYS A 27 -8.605 -9.860 -6.191 1.00 32.41 H new ATOM 0 HB3 LYS A 27 -8.059 -8.622 -7.305 1.00 32.41 H new ATOM 0 HG2 LYS A 27 -9.081 -10.427 -9.076 1.00 73.33 H new ATOM 0 HG3 LYS A 27 -10.096 -10.756 -7.686 1.00 73.33 H new ATOM 0 HD2 LYS A 27 -10.277 -8.097 -7.592 1.00 41.42 H new ATOM 0 HD3 LYS A 27 -9.826 -8.217 -9.281 1.00 41.42 H new ATOM 0 HE2 LYS A 27 -11.725 -9.735 -9.712 1.00 21.44 H new ATOM 0 HE3 LYS A 27 -12.153 -9.718 -8.013 1.00 21.44 H new ATOM 0 HZ1 LYS A 27 -13.523 -8.193 -9.278 1.00 21.42 H new ATOM 0 HZ2 LYS A 27 -12.567 -7.331 -8.170 1.00 21.42 H new ATOM 0 HZ3 LYS A 27 -12.153 -7.348 -9.816 1.00 21.42 H new ATOM 418 N GLN A 28 -5.104 -9.242 -6.767 1.00 32.04 N ATOM 419 CA GLN A 28 -4.038 -8.862 -5.848 1.00 65.44 C ATOM 420 C GLN A 28 -3.964 -7.347 -5.696 1.00 5.42 C ATOM 421 O GLN A 28 -4.860 -6.624 -6.133 1.00 24.41 O ATOM 422 CB GLN A 28 -2.695 -9.403 -6.343 1.00 1.32 C ATOM 423 CG GLN A 28 -2.720 -10.887 -6.675 1.00 13.40 C ATOM 424 CD GLN A 28 -2.484 -11.159 -8.147 1.00 63.02 C ATOM 425 OE1 GLN A 28 -3.262 -10.734 -9.002 1.00 32.51 O ATOM 426 NE2 GLN A 28 -1.406 -11.871 -8.452 1.00 5.44 N ATOM 0 H GLN A 28 -5.119 -8.712 -7.639 1.00 32.04 H new ATOM 0 HA GLN A 28 -4.261 -9.295 -4.873 1.00 65.44 H new ATOM 0 HB2 GLN A 28 -2.393 -8.846 -7.230 1.00 1.32 H new ATOM 0 HB3 GLN A 28 -1.937 -9.223 -5.581 1.00 1.32 H new ATOM 0 HG2 GLN A 28 -1.958 -11.400 -6.088 1.00 13.40 H new ATOM 0 HG3 GLN A 28 -3.683 -11.305 -6.382 1.00 13.40 H new ATOM 0 HE21 GLN A 28 -0.788 -12.203 -7.712 1.00 5.44 H new ATOM 0 HE22 GLN A 28 -1.196 -12.086 -9.427 1.00 5.44 H new ATOM 435 N TYR A 29 -2.891 -6.872 -5.072 1.00 43.14 N ATOM 436 CA TYR A 29 -2.702 -5.442 -4.860 1.00 54.24 C ATOM 437 C TYR A 29 -1.867 -4.830 -5.981 1.00 24.11 C ATOM 438 O TYR A 29 -1.017 -5.495 -6.573 1.00 30.30 O ATOM 439 CB TYR A 29 -2.027 -5.190 -3.511 1.00 50.22 C ATOM 440 CG TYR A 29 -2.992 -5.156 -2.347 1.00 53.35 C ATOM 441 CD1 TYR A 29 -3.804 -4.049 -2.126 1.00 62.45 C ATOM 442 CD2 TYR A 29 -3.092 -6.227 -1.470 1.00 20.35 C ATOM 443 CE1 TYR A 29 -4.687 -4.013 -1.065 1.00 33.44 C ATOM 444 CE2 TYR A 29 -3.974 -6.201 -0.406 1.00 3.31 C ATOM 445 CZ TYR A 29 -4.769 -5.091 -0.208 1.00 43.53 C ATOM 446 OH TYR A 29 -5.647 -5.059 0.851 1.00 21.53 O ATOM 0 H TYR A 29 -2.140 -7.456 -4.705 1.00 43.14 H new ATOM 0 HA TYR A 29 -3.683 -4.968 -4.862 1.00 54.24 H new ATOM 0 HB2 TYR A 29 -1.285 -5.969 -3.334 1.00 50.22 H new ATOM 0 HB3 TYR A 29 -1.490 -4.242 -3.554 1.00 50.22 H new ATOM 0 HD1 TYR A 29 -3.743 -3.204 -2.795 1.00 62.45 H new ATOM 0 HD2 TYR A 29 -2.469 -7.096 -1.622 1.00 20.35 H new ATOM 0 HE1 TYR A 29 -5.310 -3.145 -0.907 1.00 33.44 H new ATOM 0 HE2 TYR A 29 -4.040 -7.044 0.266 1.00 3.31 H new ATOM 0 HH TYR A 29 -6.421 -4.506 0.617 1.00 21.53 H new ATOM 456 N LYS A 30 -2.116 -3.556 -6.267 1.00 23.43 N ATOM 457 CA LYS A 30 -1.387 -2.851 -7.315 1.00 62.01 C ATOM 458 C LYS A 30 -1.310 -1.358 -7.013 1.00 1.24 C ATOM 459 O LYS A 30 -1.838 -0.890 -6.003 1.00 22.01 O ATOM 460 CB LYS A 30 -2.061 -3.074 -8.671 1.00 3.53 C ATOM 461 CG LYS A 30 -3.328 -2.258 -8.862 1.00 42.11 C ATOM 462 CD LYS A 30 -4.504 -3.138 -9.249 1.00 74.42 C ATOM 463 CE LYS A 30 -4.406 -3.596 -10.695 1.00 53.15 C ATOM 464 NZ LYS A 30 -4.158 -5.061 -10.798 1.00 72.01 N ATOM 0 H LYS A 30 -2.817 -2.991 -5.788 1.00 23.43 H new ATOM 0 HA LYS A 30 -0.373 -3.250 -7.350 1.00 62.01 H new ATOM 0 HB2 LYS A 30 -1.355 -2.825 -9.463 1.00 3.53 H new ATOM 0 HB3 LYS A 30 -2.300 -4.132 -8.779 1.00 3.53 H new ATOM 0 HG2 LYS A 30 -3.560 -1.723 -7.941 1.00 42.11 H new ATOM 0 HG3 LYS A 30 -3.165 -1.506 -9.634 1.00 42.11 H new ATOM 0 HD2 LYS A 30 -4.540 -4.008 -8.593 1.00 74.42 H new ATOM 0 HD3 LYS A 30 -5.434 -2.589 -9.103 1.00 74.42 H new ATOM 0 HE2 LYS A 30 -5.329 -3.346 -11.218 1.00 53.15 H new ATOM 0 HE3 LYS A 30 -3.601 -3.056 -11.193 1.00 53.15 H new ATOM 0 HZ1 LYS A 30 -4.098 -5.333 -11.800 1.00 72.01 H new ATOM 0 HZ2 LYS A 30 -3.264 -5.296 -10.321 1.00 72.01 H new ATOM 0 HZ3 LYS A 30 -4.939 -5.578 -10.345 1.00 72.01 H new ATOM 478 N LEU A 31 -0.650 -0.614 -7.895 1.00 12.51 N ATOM 479 CA LEU A 31 -0.506 0.827 -7.723 1.00 4.22 C ATOM 480 C LEU A 31 -1.869 1.510 -7.674 1.00 0.25 C ATOM 481 O LEU A 31 -2.057 2.495 -6.961 1.00 5.44 O ATOM 482 CB LEU A 31 0.330 1.415 -8.861 1.00 31.40 C ATOM 483 CG LEU A 31 1.602 2.157 -8.447 1.00 33.15 C ATOM 484 CD1 LEU A 31 1.279 3.242 -7.432 1.00 14.04 C ATOM 485 CD2 LEU A 31 2.627 1.184 -7.883 1.00 34.32 C ATOM 0 H LEU A 31 -0.207 -0.985 -8.735 1.00 12.51 H new ATOM 0 HA LEU A 31 0.003 1.005 -6.776 1.00 4.22 H new ATOM 0 HB2 LEU A 31 0.609 0.606 -9.536 1.00 31.40 H new ATOM 0 HB3 LEU A 31 -0.298 2.101 -9.429 1.00 31.40 H new ATOM 0 HG LEU A 31 2.029 2.630 -9.331 1.00 33.15 H new ATOM 0 HD11 LEU A 31 2.195 3.760 -7.149 1.00 14.04 H new ATOM 0 HD12 LEU A 31 0.581 3.955 -7.871 1.00 14.04 H new ATOM 0 HD13 LEU A 31 0.829 2.791 -6.548 1.00 14.04 H new ATOM 0 HD21 LEU A 31 3.525 1.729 -7.594 1.00 34.32 H new ATOM 0 HD22 LEU A 31 2.210 0.682 -7.010 1.00 34.32 H new ATOM 0 HD23 LEU A 31 2.881 0.443 -8.641 1.00 34.32 H new ATOM 497 N LYS A 32 -2.819 0.977 -8.435 1.00 62.21 N ATOM 498 CA LYS A 32 -4.168 1.531 -8.476 1.00 5.41 C ATOM 499 C LYS A 32 -4.698 1.776 -7.068 1.00 33.25 C ATOM 500 O LYS A 32 -5.173 2.868 -6.752 1.00 41.12 O ATOM 501 CB LYS A 32 -5.106 0.587 -9.230 1.00 50.14 C ATOM 502 CG LYS A 32 -6.374 1.259 -9.728 1.00 50.30 C ATOM 503 CD LYS A 32 -7.571 0.903 -8.862 1.00 65.42 C ATOM 504 CE LYS A 32 -8.649 1.972 -8.935 1.00 53.30 C ATOM 505 NZ LYS A 32 -9.991 1.389 -9.210 1.00 15.33 N ATOM 0 H LYS A 32 -2.680 0.162 -9.032 1.00 62.21 H new ATOM 0 HA LYS A 32 -4.127 2.486 -9.000 1.00 5.41 H new ATOM 0 HB2 LYS A 32 -4.573 0.161 -10.080 1.00 50.14 H new ATOM 0 HB3 LYS A 32 -5.377 -0.242 -8.576 1.00 50.14 H new ATOM 0 HG2 LYS A 32 -6.236 2.340 -9.733 1.00 50.30 H new ATOM 0 HG3 LYS A 32 -6.566 0.958 -10.758 1.00 50.30 H new ATOM 0 HD2 LYS A 32 -7.983 -0.053 -9.184 1.00 65.42 H new ATOM 0 HD3 LYS A 32 -7.249 0.779 -7.828 1.00 65.42 H new ATOM 0 HE2 LYS A 32 -8.678 2.523 -7.995 1.00 53.30 H new ATOM 0 HE3 LYS A 32 -8.397 2.689 -9.717 1.00 53.30 H new ATOM 0 HZ1 LYS A 32 -10.698 2.150 -9.252 1.00 15.33 H new ATOM 0 HZ2 LYS A 32 -9.971 0.885 -10.119 1.00 15.33 H new ATOM 0 HZ3 LYS A 32 -10.243 0.724 -8.451 1.00 15.33 H new ATOM 519 N HIS A 33 -4.616 0.752 -6.223 1.00 33.01 N ATOM 520 CA HIS A 33 -5.086 0.857 -4.846 1.00 35.32 C ATOM 521 C HIS A 33 -4.248 1.862 -4.061 1.00 13.32 C ATOM 522 O HIS A 33 -4.846 2.623 -3.299 1.00 31.41 O ATOM 523 CB HIS A 33 -5.037 -0.510 -4.162 1.00 2.35 C ATOM 524 CG HIS A 33 -5.512 -1.633 -5.032 1.00 55.32 C ATOM 525 ND1 HIS A 33 -4.695 -2.663 -5.446 1.00 40.25 N ATOM 526 CD2 HIS A 33 -6.731 -1.883 -5.566 1.00 20.11 C ATOM 527 CE1 HIS A 33 -5.390 -3.498 -6.198 1.00 22.11 C ATOM 528 NE2 HIS A 33 -6.628 -3.048 -6.286 1.00 14.11 N ATOM 0 H HIS A 33 -4.229 -0.159 -6.468 1.00 33.01 H new ATOM 0 HA HIS A 33 -6.118 1.208 -4.866 1.00 35.32 H new ATOM 0 HB2 HIS A 33 -4.013 -0.713 -3.847 1.00 2.35 H new ATOM 0 HB3 HIS A 33 -5.647 -0.477 -3.259 1.00 2.35 H new ATOM 0 HD2 HIS A 33 -7.619 -1.279 -5.448 1.00 20.11 H new ATOM 0 HE1 HIS A 33 -5.010 -4.396 -6.662 1.00 22.11 H new ATOM 0 HE2 HIS A 33 -7.385 -3.493 -6.805 1.00 14.11 H new ATOM 536 N ILE A 34 -2.930 1.885 -4.220 1.00 23.15 N ATOM 537 CA ILE A 34 -2.089 2.827 -3.492 1.00 2.51 C ATOM 538 C ILE A 34 -2.488 4.267 -3.797 1.00 4.32 C ATOM 539 O ILE A 34 -2.895 5.012 -2.905 1.00 43.32 O ATOM 540 CB ILE A 34 -0.600 2.635 -3.836 1.00 30.11 C ATOM 541 CG1 ILE A 34 -0.182 1.184 -3.595 1.00 32.25 C ATOM 542 CG2 ILE A 34 0.260 3.583 -3.013 1.00 12.20 C ATOM 543 CD1 ILE A 34 1.232 0.880 -4.036 1.00 44.12 C ATOM 0 H ILE A 34 -2.421 1.262 -4.847 1.00 23.15 H new ATOM 0 HA ILE A 34 -2.236 2.628 -2.431 1.00 2.51 H new ATOM 0 HB ILE A 34 -0.453 2.865 -4.891 1.00 30.11 H new ATOM 0 HG12 ILE A 34 -0.279 0.958 -2.533 1.00 32.25 H new ATOM 0 HG13 ILE A 34 -0.869 0.524 -4.125 1.00 32.25 H new ATOM 0 HG21 ILE A 34 1.310 3.436 -3.267 1.00 12.20 H new ATOM 0 HG22 ILE A 34 -0.024 4.613 -3.229 1.00 12.20 H new ATOM 0 HG23 ILE A 34 0.112 3.381 -1.952 1.00 12.20 H new ATOM 0 HD11 ILE A 34 1.459 -0.167 -3.834 1.00 44.12 H new ATOM 0 HD12 ILE A 34 1.329 1.073 -5.104 1.00 44.12 H new ATOM 0 HD13 ILE A 34 1.928 1.514 -3.488 1.00 44.12 H new ATOM 555 N VAL A 35 -2.370 4.653 -5.064 1.00 3.51 N ATOM 556 CA VAL A 35 -2.721 6.003 -5.487 1.00 52.50 C ATOM 557 C VAL A 35 -4.015 6.467 -4.828 1.00 74.05 C ATOM 558 O VAL A 35 -4.072 7.548 -4.243 1.00 13.34 O ATOM 559 CB VAL A 35 -2.877 6.089 -7.017 1.00 40.31 C ATOM 560 CG1 VAL A 35 -3.400 7.458 -7.425 1.00 72.13 C ATOM 561 CG2 VAL A 35 -1.553 5.789 -7.705 1.00 71.40 C ATOM 0 H VAL A 35 -2.034 4.050 -5.815 1.00 3.51 H new ATOM 0 HA VAL A 35 -1.905 6.654 -5.175 1.00 52.50 H new ATOM 0 HB VAL A 35 -3.603 5.340 -7.333 1.00 40.31 H new ATOM 0 HG11 VAL A 35 -3.504 7.500 -8.509 1.00 72.13 H new ATOM 0 HG12 VAL A 35 -4.371 7.630 -6.961 1.00 72.13 H new ATOM 0 HG13 VAL A 35 -2.700 8.227 -7.098 1.00 72.13 H new ATOM 0 HG21 VAL A 35 -1.681 5.854 -8.785 1.00 71.40 H new ATOM 0 HG22 VAL A 35 -0.804 6.513 -7.384 1.00 71.40 H new ATOM 0 HG23 VAL A 35 -1.224 4.785 -7.439 1.00 71.40 H new ATOM 571 N TRP A 36 -5.052 5.643 -4.930 1.00 0.00 N ATOM 572 CA TRP A 36 -6.347 5.969 -4.343 1.00 31.11 C ATOM 573 C TRP A 36 -6.215 6.235 -2.848 1.00 11.11 C ATOM 574 O TRP A 36 -6.661 7.269 -2.351 1.00 43.02 O ATOM 575 CB TRP A 36 -7.340 4.832 -4.586 1.00 72.20 C ATOM 576 CG TRP A 36 -8.621 4.989 -3.824 1.00 42.44 C ATOM 577 CD1 TRP A 36 -9.731 5.681 -4.220 1.00 24.43 C ATOM 578 CD2 TRP A 36 -8.924 4.445 -2.535 1.00 11.44 C ATOM 579 NE1 TRP A 36 -10.705 5.599 -3.254 1.00 41.20 N ATOM 580 CE2 TRP A 36 -10.235 4.847 -2.211 1.00 62.41 C ATOM 581 CE3 TRP A 36 -8.216 3.657 -1.623 1.00 14.31 C ATOM 582 CZ2 TRP A 36 -10.849 4.487 -1.014 1.00 71.44 C ATOM 583 CZ3 TRP A 36 -8.827 3.301 -0.436 1.00 43.22 C ATOM 584 CH2 TRP A 36 -10.133 3.714 -0.140 1.00 63.13 C ATOM 0 H TRP A 36 -5.022 4.745 -5.413 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.718 6.875 -4.822 1.00 31.11 H new ATOM 0 HB2 TRP A 36 -7.564 4.776 -5.651 1.00 72.20 H new ATOM 0 HB3 TRP A 36 -6.874 3.887 -4.308 1.00 72.20 H new ATOM 0 HD1 TRP A 36 -9.828 6.214 -5.154 1.00 24.43 H new ATOM 0 HE1 TRP A 36 -11.629 6.029 -3.306 1.00 41.20 H new ATOM 0 HE3 TRP A 36 -7.210 3.332 -1.842 1.00 14.31 H new ATOM 0 HZ2 TRP A 36 -11.855 4.806 -0.783 1.00 71.44 H new ATOM 0 HZ3 TRP A 36 -8.288 2.694 0.276 1.00 43.22 H new ATOM 0 HH2 TRP A 36 -10.583 3.417 0.796 1.00 63.13 H new ATOM 595 N ALA A 37 -5.602 5.296 -2.136 1.00 11.13 N ATOM 596 CA ALA A 37 -5.410 5.432 -0.697 1.00 62.20 C ATOM 597 C ALA A 37 -4.653 6.713 -0.361 1.00 62.24 C ATOM 598 O ALA A 37 -5.086 7.498 0.481 1.00 11.21 O ATOM 599 CB ALA A 37 -4.671 4.220 -0.146 1.00 55.53 C ATOM 0 H ALA A 37 -5.230 4.433 -2.532 1.00 11.13 H new ATOM 0 HA ALA A 37 -6.393 5.489 -0.229 1.00 62.20 H new ATOM 0 HB1 ALA A 37 -4.535 4.335 0.929 1.00 55.53 H new ATOM 0 HB2 ALA A 37 -5.252 3.319 -0.344 1.00 55.53 H new ATOM 0 HB3 ALA A 37 -3.697 4.137 -0.629 1.00 55.53 H new ATOM 605 N SER A 38 -3.521 6.916 -1.027 1.00 24.14 N ATOM 606 CA SER A 38 -2.701 8.100 -0.796 1.00 23.21 C ATOM 607 C SER A 38 -3.530 9.372 -0.942 1.00 4.02 C ATOM 608 O SER A 38 -3.221 10.400 -0.340 1.00 34.14 O ATOM 609 CB SER A 38 -1.523 8.130 -1.772 1.00 70.54 C ATOM 610 OG SER A 38 -0.890 6.864 -1.845 1.00 42.10 O ATOM 0 H SER A 38 -3.151 6.277 -1.730 1.00 24.14 H new ATOM 0 HA SER A 38 -2.317 8.052 0.223 1.00 23.21 H new ATOM 0 HB2 SER A 38 -1.874 8.423 -2.762 1.00 70.54 H new ATOM 0 HB3 SER A 38 -0.802 8.883 -1.454 1.00 70.54 H new ATOM 0 HG SER A 38 -1.462 6.240 -2.339 1.00 42.10 H new ATOM 616 N ARG A 39 -4.584 9.293 -1.748 1.00 12.04 N ATOM 617 CA ARG A 39 -5.458 10.438 -1.975 1.00 41.11 C ATOM 618 C ARG A 39 -6.559 10.499 -0.921 1.00 73.03 C ATOM 619 O ARG A 39 -6.840 11.560 -0.365 1.00 31.12 O ATOM 620 CB ARG A 39 -6.078 10.363 -3.372 1.00 45.55 C ATOM 621 CG ARG A 39 -5.148 10.839 -4.477 1.00 14.13 C ATOM 622 CD ARG A 39 -5.779 10.665 -5.850 1.00 12.24 C ATOM 623 NE ARG A 39 -5.155 11.524 -6.852 1.00 24.41 N ATOM 624 CZ ARG A 39 -5.307 12.843 -6.887 1.00 14.54 C ATOM 625 NH1 ARG A 39 -6.058 13.452 -5.979 1.00 33.42 N ATOM 626 NH2 ARG A 39 -4.707 13.557 -7.830 1.00 61.13 N ATOM 0 H ARG A 39 -4.853 8.449 -2.254 1.00 12.04 H new ATOM 0 HA ARG A 39 -4.856 11.344 -1.899 1.00 41.11 H new ATOM 0 HB2 ARG A 39 -6.373 9.333 -3.575 1.00 45.55 H new ATOM 0 HB3 ARG A 39 -6.987 10.964 -3.390 1.00 45.55 H new ATOM 0 HG2 ARG A 39 -4.901 11.889 -4.319 1.00 14.13 H new ATOM 0 HG3 ARG A 39 -4.212 10.281 -4.432 1.00 14.13 H new ATOM 0 HD2 ARG A 39 -5.691 9.624 -6.160 1.00 12.24 H new ATOM 0 HD3 ARG A 39 -6.844 10.891 -5.791 1.00 12.24 H new ATOM 0 HE ARG A 39 -4.570 11.087 -7.564 1.00 24.41 H new ATOM 0 HH11 ARG A 39 -6.521 12.907 -5.251 1.00 33.42 H new ATOM 0 HH12 ARG A 39 -6.173 14.465 -6.008 1.00 33.42 H new ATOM 0 HH21 ARG A 39 -4.128 13.093 -8.530 1.00 61.13 H new ATOM 0 HH22 ARG A 39 -4.825 14.570 -7.855 1.00 61.13 H new ATOM 640 N GLU A 40 -7.180 9.354 -0.654 1.00 4.02 N ATOM 641 CA GLU A 40 -8.251 9.279 0.333 1.00 42.21 C ATOM 642 C GLU A 40 -7.792 9.833 1.679 1.00 73.01 C ATOM 643 O GLU A 40 -8.472 10.660 2.287 1.00 3.43 O ATOM 644 CB GLU A 40 -8.722 7.833 0.498 1.00 30.11 C ATOM 645 CG GLU A 40 -10.229 7.695 0.636 1.00 64.10 C ATOM 646 CD GLU A 40 -10.981 8.346 -0.509 1.00 35.33 C ATOM 647 OE1 GLU A 40 -11.236 7.657 -1.519 1.00 33.01 O ATOM 648 OE2 GLU A 40 -11.316 9.543 -0.393 1.00 43.54 O ATOM 0 H GLU A 40 -6.960 8.467 -1.107 1.00 4.02 H new ATOM 0 HA GLU A 40 -9.083 9.886 -0.025 1.00 42.21 H new ATOM 0 HB2 GLU A 40 -8.390 7.251 -0.362 1.00 30.11 H new ATOM 0 HB3 GLU A 40 -8.244 7.402 1.378 1.00 30.11 H new ATOM 0 HG2 GLU A 40 -10.491 6.638 0.683 1.00 64.10 H new ATOM 0 HG3 GLU A 40 -10.547 8.144 1.577 1.00 64.10 H new ATOM 655 N LEU A 41 -6.634 9.371 2.138 1.00 75.43 N ATOM 656 CA LEU A 41 -6.083 9.819 3.412 1.00 44.33 C ATOM 657 C LEU A 41 -6.011 11.342 3.469 1.00 24.33 C ATOM 658 O LEU A 41 -6.289 11.946 4.503 1.00 14.23 O ATOM 659 CB LEU A 41 -4.690 9.223 3.625 1.00 41.13 C ATOM 660 CG LEU A 41 -4.639 7.723 3.916 1.00 10.03 C ATOM 661 CD1 LEU A 41 -3.198 7.245 4.004 1.00 41.44 C ATOM 662 CD2 LEU A 41 -5.388 7.404 5.201 1.00 24.04 C ATOM 0 H LEU A 41 -6.059 8.687 1.647 1.00 75.43 H new ATOM 0 HA LEU A 41 -6.745 9.475 4.207 1.00 44.33 H new ATOM 0 HB2 LEU A 41 -4.092 9.421 2.735 1.00 41.13 H new ATOM 0 HB3 LEU A 41 -4.214 9.750 4.452 1.00 41.13 H new ATOM 0 HG LEU A 41 -5.125 7.196 3.095 1.00 10.03 H new ATOM 0 HD11 LEU A 41 -3.182 6.175 4.212 1.00 41.44 H new ATOM 0 HD12 LEU A 41 -2.692 7.439 3.058 1.00 41.44 H new ATOM 0 HD13 LEU A 41 -2.686 7.778 4.805 1.00 41.44 H new ATOM 0 HD21 LEU A 41 -5.341 6.332 5.393 1.00 24.04 H new ATOM 0 HD22 LEU A 41 -4.931 7.941 6.032 1.00 24.04 H new ATOM 0 HD23 LEU A 41 -6.429 7.710 5.101 1.00 24.04 H new ATOM 674 N GLU A 42 -5.638 11.953 2.349 1.00 13.53 N ATOM 675 CA GLU A 42 -5.532 13.407 2.273 1.00 21.42 C ATOM 676 C GLU A 42 -6.857 14.069 2.642 1.00 22.22 C ATOM 677 O GLU A 42 -6.886 15.219 3.079 1.00 51.12 O ATOM 678 CB GLU A 42 -5.109 13.836 0.867 1.00 62.54 C ATOM 679 CG GLU A 42 -4.121 14.990 0.854 1.00 12.32 C ATOM 680 CD GLU A 42 -4.780 16.326 1.136 1.00 75.22 C ATOM 681 OE1 GLU A 42 -5.476 16.845 0.238 1.00 10.53 O ATOM 682 OE2 GLU A 42 -4.602 16.851 2.254 1.00 25.15 O ATOM 0 H GLU A 42 -5.405 11.466 1.484 1.00 13.53 H new ATOM 0 HA GLU A 42 -4.774 13.729 2.987 1.00 21.42 H new ATOM 0 HB2 GLU A 42 -4.665 12.983 0.354 1.00 62.54 H new ATOM 0 HB3 GLU A 42 -5.996 14.122 0.301 1.00 62.54 H new ATOM 0 HG2 GLU A 42 -3.345 14.808 1.598 1.00 12.32 H new ATOM 0 HG3 GLU A 42 -3.628 15.030 -0.117 1.00 12.32 H new ATOM 689 N ARG A 43 -7.949 13.334 2.462 1.00 61.53 N ATOM 690 CA ARG A 43 -9.276 13.850 2.774 1.00 74.45 C ATOM 691 C ARG A 43 -9.626 13.602 4.239 1.00 44.12 C ATOM 692 O ARG A 43 -10.443 14.314 4.821 1.00 11.53 O ATOM 693 CB ARG A 43 -10.326 13.199 1.871 1.00 21.41 C ATOM 694 CG ARG A 43 -11.345 14.179 1.316 1.00 62.25 C ATOM 695 CD ARG A 43 -10.882 14.776 -0.004 1.00 75.34 C ATOM 696 NE ARG A 43 -11.489 16.080 -0.259 1.00 10.01 N ATOM 697 CZ ARG A 43 -11.090 16.901 -1.222 1.00 43.21 C ATOM 698 NH1 ARG A 43 -10.088 16.556 -2.019 1.00 5.11 N ATOM 699 NH2 ARG A 43 -11.692 18.071 -1.391 1.00 43.21 N ATOM 0 H ARG A 43 -7.941 12.380 2.102 1.00 61.53 H new ATOM 0 HA ARG A 43 -9.270 14.925 2.596 1.00 74.45 H new ATOM 0 HB2 ARG A 43 -9.822 12.703 1.041 1.00 21.41 H new ATOM 0 HB3 ARG A 43 -10.848 12.426 2.434 1.00 21.41 H new ATOM 0 HG2 ARG A 43 -12.299 13.671 1.172 1.00 62.25 H new ATOM 0 HG3 ARG A 43 -11.514 14.978 2.038 1.00 62.25 H new ATOM 0 HD2 ARG A 43 -9.797 14.877 0.005 1.00 75.34 H new ATOM 0 HD3 ARG A 43 -11.132 14.095 -0.817 1.00 75.34 H new ATOM 0 HE ARG A 43 -12.263 16.376 0.336 1.00 10.01 H new ATOM 0 HH11 ARG A 43 -9.622 15.658 -1.893 1.00 5.11 H new ATOM 0 HH12 ARG A 43 -9.783 17.189 -2.758 1.00 5.11 H new ATOM 0 HH21 ARG A 43 -12.463 18.341 -0.780 1.00 43.21 H new ATOM 0 HH22 ARG A 43 -11.384 18.701 -2.132 1.00 43.21 H new ATOM 713 N PHE A 44 -9.002 12.587 4.827 1.00 52.13 N ATOM 714 CA PHE A 44 -9.248 12.244 6.223 1.00 40.22 C ATOM 715 C PHE A 44 -8.218 12.904 7.135 1.00 65.35 C ATOM 716 O PHE A 44 -7.813 12.332 8.147 1.00 12.34 O ATOM 717 CB PHE A 44 -9.214 10.726 6.410 1.00 33.23 C ATOM 718 CG PHE A 44 -10.463 10.036 5.939 1.00 23.24 C ATOM 719 CD1 PHE A 44 -10.854 10.113 4.612 1.00 14.33 C ATOM 720 CD2 PHE A 44 -11.243 9.309 6.824 1.00 11.40 C ATOM 721 CE1 PHE A 44 -12.003 9.480 4.178 1.00 43.15 C ATOM 722 CE2 PHE A 44 -12.393 8.674 6.395 1.00 61.43 C ATOM 723 CZ PHE A 44 -12.773 8.758 5.069 1.00 13.34 C ATOM 0 H PHE A 44 -8.322 11.988 4.359 1.00 52.13 H new ATOM 0 HA PHE A 44 -10.237 12.615 6.494 1.00 40.22 H new ATOM 0 HB2 PHE A 44 -8.359 10.320 5.870 1.00 33.23 H new ATOM 0 HB3 PHE A 44 -9.060 10.501 7.465 1.00 33.23 H new ATOM 0 HD1 PHE A 44 -10.255 10.673 3.910 1.00 14.33 H new ATOM 0 HD2 PHE A 44 -10.949 9.238 7.861 1.00 11.40 H new ATOM 0 HE1 PHE A 44 -12.299 9.550 3.142 1.00 43.15 H new ATOM 0 HE2 PHE A 44 -12.994 8.113 7.095 1.00 61.43 H new ATOM 0 HZ PHE A 44 -13.670 8.260 4.730 1.00 13.34 H new ATOM 733 N ALA A 45 -7.796 14.109 6.766 1.00 3.23 N ATOM 734 CA ALA A 45 -6.814 14.847 7.550 1.00 11.44 C ATOM 735 C ALA A 45 -5.590 13.988 7.849 1.00 72.42 C ATOM 736 O ALA A 45 -4.871 14.228 8.818 1.00 1.13 O ATOM 737 CB ALA A 45 -7.439 15.345 8.846 1.00 44.14 C ATOM 0 H ALA A 45 -8.119 14.595 5.929 1.00 3.23 H new ATOM 0 HA ALA A 45 -6.489 15.705 6.962 1.00 11.44 H new ATOM 0 HB1 ALA A 45 -6.694 15.894 9.422 1.00 44.14 H new ATOM 0 HB2 ALA A 45 -8.278 16.002 8.616 1.00 44.14 H new ATOM 0 HB3 ALA A 45 -7.793 14.495 9.429 1.00 44.14 H new ATOM 743 N VAL A 46 -5.360 12.983 7.010 1.00 64.34 N ATOM 744 CA VAL A 46 -4.223 12.087 7.182 1.00 20.53 C ATOM 745 C VAL A 46 -3.248 12.202 6.015 1.00 14.34 C ATOM 746 O VAL A 46 -3.589 11.885 4.877 1.00 4.41 O ATOM 747 CB VAL A 46 -4.678 10.620 7.313 1.00 4.43 C ATOM 748 CG1 VAL A 46 -3.475 9.692 7.377 1.00 11.14 C ATOM 749 CG2 VAL A 46 -5.563 10.445 8.538 1.00 54.21 C ATOM 0 H VAL A 46 -5.947 12.769 6.204 1.00 64.34 H new ATOM 0 HA VAL A 46 -3.721 12.388 8.101 1.00 20.53 H new ATOM 0 HB VAL A 46 -5.262 10.358 6.431 1.00 4.43 H new ATOM 0 HG11 VAL A 46 -3.816 8.661 7.469 1.00 11.14 H new ATOM 0 HG12 VAL A 46 -2.884 9.799 6.467 1.00 11.14 H new ATOM 0 HG13 VAL A 46 -2.862 9.950 8.240 1.00 11.14 H new ATOM 0 HG21 VAL A 46 -5.875 9.404 8.615 1.00 54.21 H new ATOM 0 HG22 VAL A 46 -5.006 10.724 9.432 1.00 54.21 H new ATOM 0 HG23 VAL A 46 -6.443 11.082 8.445 1.00 54.21 H new ATOM 759 N ASN A 47 -2.035 12.659 6.308 1.00 34.45 N ATOM 760 CA ASN A 47 -1.011 12.817 5.283 1.00 22.31 C ATOM 761 C ASN A 47 -0.619 11.465 4.692 1.00 12.23 C ATOM 762 O ASN A 47 -0.448 10.475 5.403 1.00 50.52 O ATOM 763 CB ASN A 47 0.223 13.507 5.868 1.00 42.44 C ATOM 764 CG ASN A 47 -0.124 14.787 6.603 1.00 21.42 C ATOM 765 OD1 ASN A 47 -0.320 14.784 7.818 1.00 12.23 O ATOM 766 ND2 ASN A 47 -0.204 15.890 5.867 1.00 50.04 N ATOM 0 H ASN A 47 -1.738 12.926 7.246 1.00 34.45 H new ATOM 0 HA ASN A 47 -1.422 13.436 4.486 1.00 22.31 H new ATOM 0 HB2 ASN A 47 0.728 12.824 6.552 1.00 42.44 H new ATOM 0 HB3 ASN A 47 0.925 13.731 5.065 1.00 42.44 H new ATOM 0 HD21 ASN A 47 -0.436 16.781 6.307 1.00 50.04 H new ATOM 0 HD22 ASN A 47 -0.034 15.846 4.862 1.00 50.04 H new ATOM 773 N PRO A 48 -0.472 11.422 3.359 1.00 54.10 N ATOM 774 CA PRO A 48 -0.098 10.199 2.644 1.00 42.45 C ATOM 775 C PRO A 48 1.346 9.788 2.913 1.00 14.32 C ATOM 776 O PRO A 48 1.799 8.742 2.453 1.00 61.00 O ATOM 777 CB PRO A 48 -0.279 10.580 1.172 1.00 41.24 C ATOM 778 CG PRO A 48 -0.116 12.060 1.141 1.00 50.41 C ATOM 779 CD PRO A 48 -0.660 12.565 2.449 1.00 60.03 C ATOM 0 HA PRO A 48 -0.699 9.345 2.956 1.00 42.45 H new ATOM 0 HB2 PRO A 48 0.461 10.087 0.542 1.00 41.24 H new ATOM 0 HB3 PRO A 48 -1.261 10.282 0.804 1.00 41.24 H new ATOM 0 HG2 PRO A 48 0.932 12.335 1.022 1.00 50.41 H new ATOM 0 HG3 PRO A 48 -0.656 12.494 0.300 1.00 50.41 H new ATOM 0 HD2 PRO A 48 -0.121 13.447 2.795 1.00 60.03 H new ATOM 0 HD3 PRO A 48 -1.710 12.845 2.367 1.00 60.03 H new ATOM 787 N GLY A 49 2.062 10.619 3.665 1.00 54.21 N ATOM 788 CA GLY A 49 3.447 10.323 3.984 1.00 52.44 C ATOM 789 C GLY A 49 3.581 9.289 5.083 1.00 33.21 C ATOM 790 O GLY A 49 4.690 8.951 5.496 1.00 5.23 O ATOM 0 H GLY A 49 1.708 11.491 4.059 1.00 54.21 H new ATOM 0 HA2 GLY A 49 3.954 9.964 3.088 1.00 52.44 H new ATOM 0 HA3 GLY A 49 3.950 11.240 4.289 1.00 52.44 H new ATOM 794 N LEU A 50 2.448 8.786 5.560 1.00 20.24 N ATOM 795 CA LEU A 50 2.443 7.784 6.621 1.00 33.01 C ATOM 796 C LEU A 50 2.587 6.380 6.045 1.00 62.23 C ATOM 797 O LEU A 50 2.970 5.444 6.749 1.00 70.11 O ATOM 798 CB LEU A 50 1.152 7.883 7.437 1.00 43.33 C ATOM 799 CG LEU A 50 0.884 9.229 8.109 1.00 3.33 C ATOM 800 CD1 LEU A 50 -0.521 9.268 8.689 1.00 71.43 C ATOM 801 CD2 LEU A 50 1.918 9.499 9.193 1.00 2.14 C ATOM 0 H LEU A 50 1.521 9.055 5.229 1.00 20.24 H new ATOM 0 HA LEU A 50 3.294 7.978 7.274 1.00 33.01 H new ATOM 0 HB2 LEU A 50 0.313 7.654 6.780 1.00 43.33 H new ATOM 0 HB3 LEU A 50 1.173 7.113 8.208 1.00 43.33 H new ATOM 0 HG LEU A 50 0.964 10.011 7.354 1.00 3.33 H new ATOM 0 HD11 LEU A 50 -0.692 10.234 9.163 1.00 71.43 H new ATOM 0 HD12 LEU A 50 -1.248 9.121 7.891 1.00 71.43 H new ATOM 0 HD13 LEU A 50 -0.631 8.476 9.430 1.00 71.43 H new ATOM 0 HD21 LEU A 50 1.712 10.462 9.661 1.00 2.14 H new ATOM 0 HD22 LEU A 50 1.870 8.712 9.946 1.00 2.14 H new ATOM 0 HD23 LEU A 50 2.914 9.517 8.750 1.00 2.14 H new ATOM 813 N LEU A 51 2.281 6.239 4.760 1.00 31.13 N ATOM 814 CA LEU A 51 2.379 4.947 4.088 1.00 53.43 C ATOM 815 C LEU A 51 3.833 4.598 3.789 1.00 72.04 C ATOM 816 O LEU A 51 4.135 3.494 3.338 1.00 45.12 O ATOM 817 CB LEU A 51 1.569 4.965 2.789 1.00 65.52 C ATOM 818 CG LEU A 51 0.103 5.380 2.917 1.00 43.12 C ATOM 819 CD1 LEU A 51 -0.395 5.985 1.614 1.00 72.05 C ATOM 820 CD2 LEU A 51 -0.755 4.190 3.319 1.00 60.14 C ATOM 0 H LEU A 51 1.963 7.002 4.163 1.00 31.13 H new ATOM 0 HA LEU A 51 1.972 4.186 4.754 1.00 53.43 H new ATOM 0 HB2 LEU A 51 2.058 5.643 2.089 1.00 65.52 H new ATOM 0 HB3 LEU A 51 1.607 3.969 2.347 1.00 65.52 H new ATOM 0 HG LEU A 51 0.025 6.137 3.698 1.00 43.12 H new ATOM 0 HD11 LEU A 51 -1.440 6.275 1.723 1.00 72.05 H new ATOM 0 HD12 LEU A 51 0.201 6.864 1.370 1.00 72.05 H new ATOM 0 HD13 LEU A 51 -0.304 5.251 0.814 1.00 72.05 H new ATOM 0 HD21 LEU A 51 -1.795 4.504 3.405 1.00 60.14 H new ATOM 0 HD22 LEU A 51 -0.673 3.410 2.562 1.00 60.14 H new ATOM 0 HD23 LEU A 51 -0.412 3.802 4.278 1.00 60.14 H new ATOM 832 N GLU A 52 4.728 5.546 4.046 1.00 4.14 N ATOM 833 CA GLU A 52 6.152 5.336 3.807 1.00 54.35 C ATOM 834 C GLU A 52 6.895 5.094 5.117 1.00 51.53 C ATOM 835 O GLU A 52 7.946 5.685 5.368 1.00 42.25 O ATOM 836 CB GLU A 52 6.753 6.543 3.082 1.00 54.10 C ATOM 837 CG GLU A 52 6.727 7.821 3.904 1.00 54.01 C ATOM 838 CD GLU A 52 7.976 8.660 3.717 1.00 54.01 C ATOM 839 OE1 GLU A 52 8.944 8.459 4.479 1.00 55.51 O ATOM 840 OE2 GLU A 52 7.984 9.517 2.809 1.00 44.52 O ATOM 0 H GLU A 52 4.493 6.466 4.419 1.00 4.14 H new ATOM 0 HA GLU A 52 6.262 4.452 3.179 1.00 54.35 H new ATOM 0 HB2 GLU A 52 7.784 6.317 2.810 1.00 54.10 H new ATOM 0 HB3 GLU A 52 6.207 6.707 2.153 1.00 54.10 H new ATOM 0 HG2 GLU A 52 5.853 8.410 3.626 1.00 54.01 H new ATOM 0 HG3 GLU A 52 6.618 7.568 4.959 1.00 54.01 H new ATOM 847 N THR A 53 6.340 4.221 5.952 1.00 2.31 N ATOM 848 CA THR A 53 6.948 3.902 7.238 1.00 21.40 C ATOM 849 C THR A 53 6.137 2.846 7.982 1.00 13.42 C ATOM 850 O THR A 53 4.944 3.024 8.223 1.00 33.51 O ATOM 851 CB THR A 53 7.077 5.154 8.125 1.00 53.02 C ATOM 852 OG1 THR A 53 7.013 4.784 9.507 1.00 33.25 O ATOM 853 CG2 THR A 53 5.975 6.154 7.811 1.00 11.34 C ATOM 0 H THR A 53 5.471 3.722 5.761 1.00 2.31 H new ATOM 0 HA THR A 53 7.944 3.511 7.029 1.00 21.40 H new ATOM 0 HB THR A 53 8.040 5.621 7.919 1.00 53.02 H new ATOM 0 HG1 THR A 53 7.097 5.586 10.064 1.00 33.25 H new ATOM 0 HG21 THR A 53 6.086 7.030 8.450 1.00 11.34 H new ATOM 0 HG22 THR A 53 6.044 6.455 6.766 1.00 11.34 H new ATOM 0 HG23 THR A 53 5.004 5.694 7.992 1.00 11.34 H new ATOM 861 N SER A 54 6.794 1.748 8.344 1.00 41.52 N ATOM 862 CA SER A 54 6.132 0.662 9.058 1.00 2.53 C ATOM 863 C SER A 54 5.407 1.188 10.293 1.00 54.34 C ATOM 864 O SER A 54 4.334 0.702 10.648 1.00 60.21 O ATOM 865 CB SER A 54 7.152 -0.402 9.466 1.00 32.34 C ATOM 866 OG SER A 54 6.552 -1.686 9.525 1.00 12.53 O ATOM 0 H SER A 54 7.783 1.587 8.155 1.00 41.52 H new ATOM 0 HA SER A 54 5.397 0.214 8.390 1.00 2.53 H new ATOM 0 HB2 SER A 54 7.975 -0.414 8.752 1.00 32.34 H new ATOM 0 HB3 SER A 54 7.576 -0.150 10.438 1.00 32.34 H new ATOM 0 HG SER A 54 7.224 -2.350 9.786 1.00 12.53 H new ATOM 872 N GLU A 55 6.001 2.184 10.942 1.00 30.24 N ATOM 873 CA GLU A 55 5.412 2.775 12.138 1.00 15.10 C ATOM 874 C GLU A 55 4.284 3.734 11.771 1.00 74.11 C ATOM 875 O GLU A 55 3.370 3.966 12.562 1.00 55.35 O ATOM 876 CB GLU A 55 6.479 3.513 12.949 1.00 65.35 C ATOM 877 CG GLU A 55 7.104 2.667 14.045 1.00 23.03 C ATOM 878 CD GLU A 55 6.931 3.277 15.423 1.00 72.22 C ATOM 879 OE1 GLU A 55 5.793 3.265 15.937 1.00 12.34 O ATOM 880 OE2 GLU A 55 7.932 3.767 15.986 1.00 30.41 O ATOM 0 H GLU A 55 6.889 2.599 10.660 1.00 30.24 H new ATOM 0 HA GLU A 55 4.999 1.969 12.744 1.00 15.10 H new ATOM 0 HB2 GLU A 55 7.264 3.856 12.274 1.00 65.35 H new ATOM 0 HB3 GLU A 55 6.033 4.401 13.397 1.00 65.35 H new ATOM 0 HG2 GLU A 55 6.655 1.674 14.033 1.00 23.03 H new ATOM 0 HG3 GLU A 55 8.167 2.539 13.839 1.00 23.03 H new ATOM 887 N GLY A 56 4.354 4.290 10.565 1.00 22.12 N ATOM 888 CA GLY A 56 3.334 5.218 10.114 1.00 35.44 C ATOM 889 C GLY A 56 2.006 4.536 9.850 1.00 22.02 C ATOM 890 O GLY A 56 0.953 5.042 10.238 1.00 41.31 O ATOM 0 H GLY A 56 5.100 4.114 9.892 1.00 22.12 H new ATOM 0 HA2 GLY A 56 3.197 5.996 10.865 1.00 35.44 H new ATOM 0 HA3 GLY A 56 3.673 5.711 9.203 1.00 35.44 H new ATOM 894 N CYS A 57 2.055 3.385 9.188 1.00 51.40 N ATOM 895 CA CYS A 57 0.846 2.634 8.870 1.00 53.11 C ATOM 896 C CYS A 57 0.083 2.268 10.139 1.00 11.22 C ATOM 897 O CYS A 57 -1.060 2.683 10.329 1.00 14.45 O ATOM 898 CB CYS A 57 1.198 1.367 8.090 1.00 23.44 C ATOM 899 SG CYS A 57 1.141 1.565 6.293 1.00 4.24 S ATOM 0 H CYS A 57 2.919 2.952 8.861 1.00 51.40 H new ATOM 0 HA CYS A 57 0.207 3.266 8.253 1.00 53.11 H new ATOM 0 HB2 CYS A 57 2.198 1.043 8.377 1.00 23.44 H new ATOM 0 HB3 CYS A 57 0.510 0.573 8.379 1.00 23.44 H new ATOM 0 HG CYS A 57 2.346 1.735 5.837 1.00 4.24 H new ATOM 905 N ARG A 58 0.723 1.489 11.005 1.00 24.21 N ATOM 906 CA ARG A 58 0.105 1.065 12.254 1.00 15.12 C ATOM 907 C ARG A 58 -0.540 2.249 12.971 1.00 4.32 C ATOM 908 O ARG A 58 -1.628 2.129 13.532 1.00 2.10 O ATOM 909 CB ARG A 58 1.142 0.408 13.166 1.00 60.42 C ATOM 910 CG ARG A 58 0.643 -0.857 13.844 1.00 64.21 C ATOM 911 CD ARG A 58 1.714 -1.473 14.731 1.00 34.35 C ATOM 912 NE ARG A 58 1.579 -1.052 16.123 1.00 13.54 N ATOM 913 CZ ARG A 58 0.658 -1.533 16.951 1.00 24.45 C ATOM 914 NH1 ARG A 58 -0.204 -2.448 16.530 1.00 73.33 N ATOM 915 NH2 ARG A 58 0.599 -1.100 18.204 1.00 33.55 N ATOM 0 H ARG A 58 1.670 1.139 10.864 1.00 24.21 H new ATOM 0 HA ARG A 58 -0.671 0.338 12.016 1.00 15.12 H new ATOM 0 HB2 ARG A 58 2.030 0.170 12.580 1.00 60.42 H new ATOM 0 HB3 ARG A 58 1.447 1.123 13.930 1.00 60.42 H new ATOM 0 HG2 ARG A 58 -0.239 -0.627 14.442 1.00 64.21 H new ATOM 0 HG3 ARG A 58 0.335 -1.579 13.088 1.00 64.21 H new ATOM 0 HD2 ARG A 58 1.652 -2.560 14.673 1.00 34.35 H new ATOM 0 HD3 ARG A 58 2.699 -1.190 14.360 1.00 34.35 H new ATOM 0 HE ARG A 58 2.228 -0.350 16.479 1.00 13.54 H new ATOM 0 HH11 ARG A 58 -0.161 -2.785 15.568 1.00 73.33 H new ATOM 0 HH12 ARG A 58 -0.910 -2.815 17.168 1.00 73.33 H new ATOM 0 HH21 ARG A 58 1.261 -0.397 18.532 1.00 33.55 H new ATOM 0 HH22 ARG A 58 -0.109 -1.470 18.839 1.00 33.55 H new ATOM 929 N GLN A 59 0.141 3.390 12.946 1.00 0.15 N ATOM 930 CA GLN A 59 -0.364 4.595 13.595 1.00 75.02 C ATOM 931 C GLN A 59 -1.699 5.018 12.991 1.00 34.15 C ATOM 932 O GLN A 59 -2.612 5.430 13.707 1.00 11.22 O ATOM 933 CB GLN A 59 0.650 5.732 13.467 1.00 54.15 C ATOM 934 CG GLN A 59 0.518 6.790 14.551 1.00 4.52 C ATOM 935 CD GLN A 59 1.633 7.816 14.503 1.00 55.41 C ATOM 936 OE1 GLN A 59 2.799 7.476 14.303 1.00 31.54 O ATOM 937 NE2 GLN A 59 1.279 9.084 14.687 1.00 63.55 N ATOM 0 H GLN A 59 1.043 3.506 12.484 1.00 0.15 H new ATOM 0 HA GLN A 59 -0.517 4.372 14.651 1.00 75.02 H new ATOM 0 HB2 GLN A 59 1.657 5.315 13.498 1.00 54.15 H new ATOM 0 HB3 GLN A 59 0.531 6.205 12.492 1.00 54.15 H new ATOM 0 HG2 GLN A 59 -0.441 7.296 14.445 1.00 4.52 H new ATOM 0 HG3 GLN A 59 0.516 6.306 15.528 1.00 4.52 H new ATOM 0 HE21 GLN A 59 0.301 9.322 14.850 1.00 63.55 H new ATOM 0 HE22 GLN A 59 1.986 9.819 14.665 1.00 63.55 H new ATOM 946 N ILE A 60 -1.807 4.913 11.671 1.00 4.13 N ATOM 947 CA ILE A 60 -3.030 5.284 10.972 1.00 14.21 C ATOM 948 C ILE A 60 -4.196 4.397 11.395 1.00 13.40 C ATOM 949 O ILE A 60 -5.284 4.887 11.703 1.00 64.44 O ATOM 950 CB ILE A 60 -2.857 5.192 9.445 1.00 64.34 C ATOM 951 CG1 ILE A 60 -1.689 6.068 8.988 1.00 1.02 C ATOM 952 CG2 ILE A 60 -4.141 5.602 8.740 1.00 60.35 C ATOM 953 CD1 ILE A 60 -0.954 5.516 7.786 1.00 20.15 C ATOM 0 H ILE A 60 -1.061 4.574 11.064 1.00 4.13 H new ATOM 0 HA ILE A 60 -3.246 6.318 11.243 1.00 14.21 H new ATOM 0 HB ILE A 60 -2.636 4.158 9.182 1.00 64.34 H new ATOM 0 HG12 ILE A 60 -2.064 7.063 8.749 1.00 1.02 H new ATOM 0 HG13 ILE A 60 -0.986 6.182 9.813 1.00 1.02 H new ATOM 0 HG21 ILE A 60 -4.002 5.532 7.661 1.00 60.35 H new ATOM 0 HG22 ILE A 60 -4.951 4.940 9.046 1.00 60.35 H new ATOM 0 HG23 ILE A 60 -4.391 6.629 9.007 1.00 60.35 H new ATOM 0 HD11 ILE A 60 -0.139 6.188 7.518 1.00 20.15 H new ATOM 0 HD12 ILE A 60 -0.549 4.533 8.027 1.00 20.15 H new ATOM 0 HD13 ILE A 60 -1.644 5.429 6.946 1.00 20.15 H new ATOM 965 N LEU A 61 -3.961 3.090 11.411 1.00 73.21 N ATOM 966 CA LEU A 61 -4.991 2.132 11.798 1.00 61.31 C ATOM 967 C LEU A 61 -5.574 2.483 13.163 1.00 73.42 C ATOM 968 O LEU A 61 -6.734 2.186 13.448 1.00 2.32 O ATOM 969 CB LEU A 61 -4.413 0.715 11.826 1.00 12.30 C ATOM 970 CG LEU A 61 -3.850 0.194 10.504 1.00 42.34 C ATOM 971 CD1 LEU A 61 -3.050 -1.079 10.730 1.00 41.11 C ATOM 972 CD2 LEU A 61 -4.972 -0.049 9.505 1.00 15.51 C ATOM 0 H LEU A 61 -3.066 2.669 11.161 1.00 73.21 H new ATOM 0 HA LEU A 61 -5.791 2.176 11.059 1.00 61.31 H new ATOM 0 HB2 LEU A 61 -3.620 0.682 12.574 1.00 12.30 H new ATOM 0 HB3 LEU A 61 -5.194 0.032 12.160 1.00 12.30 H new ATOM 0 HG LEU A 61 -3.182 0.950 10.092 1.00 42.34 H new ATOM 0 HD11 LEU A 61 -2.657 -1.436 9.778 1.00 41.11 H new ATOM 0 HD12 LEU A 61 -2.223 -0.873 11.410 1.00 41.11 H new ATOM 0 HD13 LEU A 61 -3.696 -1.842 11.165 1.00 41.11 H new ATOM 0 HD21 LEU A 61 -4.552 -0.420 8.570 1.00 15.51 H new ATOM 0 HD22 LEU A 61 -5.666 -0.786 9.909 1.00 15.51 H new ATOM 0 HD23 LEU A 61 -5.503 0.885 9.320 1.00 15.51 H new ATOM 984 N GLY A 62 -4.762 3.118 14.003 1.00 74.33 N ATOM 985 CA GLY A 62 -5.218 3.500 15.327 1.00 5.34 C ATOM 986 C GLY A 62 -6.297 4.563 15.284 1.00 15.34 C ATOM 987 O GLY A 62 -7.160 4.614 16.161 1.00 72.33 O ATOM 0 H GLY A 62 -3.798 3.374 13.791 1.00 74.33 H new ATOM 0 HA2 GLY A 62 -5.600 2.620 15.844 1.00 5.34 H new ATOM 0 HA3 GLY A 62 -4.372 3.869 15.907 1.00 5.34 H new ATOM 991 N GLN A 63 -6.248 5.414 14.266 1.00 53.12 N ATOM 992 CA GLN A 63 -7.229 6.483 14.114 1.00 33.35 C ATOM 993 C GLN A 63 -8.573 5.926 13.655 1.00 11.10 C ATOM 994 O GLN A 63 -9.615 6.232 14.237 1.00 64.13 O ATOM 995 CB GLN A 63 -6.728 7.527 13.116 1.00 11.31 C ATOM 996 CG GLN A 63 -6.055 8.722 13.773 1.00 64.51 C ATOM 997 CD GLN A 63 -6.184 9.989 12.950 1.00 2.03 C ATOM 998 OE1 GLN A 63 -5.949 9.985 11.741 1.00 25.34 O ATOM 999 NE2 GLN A 63 -6.560 11.083 13.604 1.00 62.34 N ATOM 0 H GLN A 63 -5.539 5.385 13.533 1.00 53.12 H new ATOM 0 HA GLN A 63 -7.365 6.958 15.086 1.00 33.35 H new ATOM 0 HB2 GLN A 63 -6.024 7.055 12.431 1.00 11.31 H new ATOM 0 HB3 GLN A 63 -7.568 7.878 12.517 1.00 11.31 H new ATOM 0 HG2 GLN A 63 -6.494 8.886 14.757 1.00 64.51 H new ATOM 0 HG3 GLN A 63 -4.999 8.500 13.928 1.00 64.51 H new ATOM 0 HE21 GLN A 63 -6.744 11.040 14.606 1.00 62.34 H new ATOM 0 HE22 GLN A 63 -6.664 11.966 13.104 1.00 62.34 H new ATOM 1008 N LEU A 64 -8.542 5.108 12.608 1.00 11.43 N ATOM 1009 CA LEU A 64 -9.759 4.510 12.070 1.00 61.22 C ATOM 1010 C LEU A 64 -10.236 3.361 12.952 1.00 72.13 C ATOM 1011 O LEU A 64 -11.408 2.987 12.919 1.00 14.22 O ATOM 1012 CB LEU A 64 -9.516 4.007 10.645 1.00 11.44 C ATOM 1013 CG LEU A 64 -8.839 4.993 9.693 1.00 51.43 C ATOM 1014 CD1 LEU A 64 -8.440 4.297 8.400 1.00 3.43 C ATOM 1015 CD2 LEU A 64 -9.758 6.172 9.404 1.00 73.51 C ATOM 0 H LEU A 64 -7.689 4.844 12.116 1.00 11.43 H new ATOM 0 HA LEU A 64 -10.534 5.276 12.052 1.00 61.22 H new ATOM 0 HB2 LEU A 64 -8.905 3.106 10.698 1.00 11.44 H new ATOM 0 HB3 LEU A 64 -10.475 3.717 10.215 1.00 11.44 H new ATOM 0 HG LEU A 64 -7.936 5.371 10.173 1.00 51.43 H new ATOM 0 HD11 LEU A 64 -7.960 5.014 7.734 1.00 3.43 H new ATOM 0 HD12 LEU A 64 -7.746 3.487 8.622 1.00 3.43 H new ATOM 0 HD13 LEU A 64 -9.328 3.891 7.916 1.00 3.43 H new ATOM 0 HD21 LEU A 64 -9.260 6.864 8.725 1.00 73.51 H new ATOM 0 HD22 LEU A 64 -10.678 5.812 8.944 1.00 73.51 H new ATOM 0 HD23 LEU A 64 -9.995 6.686 10.336 1.00 73.51 H new ATOM 1027 N GLN A 65 -9.321 2.807 13.741 1.00 60.24 N ATOM 1028 CA GLN A 65 -9.650 1.702 14.633 1.00 71.03 C ATOM 1029 C GLN A 65 -10.931 1.992 15.409 1.00 30.54 C ATOM 1030 O GLN A 65 -11.926 1.272 15.304 1.00 4.41 O ATOM 1031 CB GLN A 65 -8.498 1.443 15.606 1.00 41.41 C ATOM 1032 CG GLN A 65 -7.799 0.111 15.381 1.00 12.21 C ATOM 1033 CD GLN A 65 -6.462 0.028 16.088 1.00 20.12 C ATOM 1034 OE1 GLN A 65 -5.409 0.204 15.474 1.00 11.52 O ATOM 1035 NE2 GLN A 65 -6.495 -0.243 17.388 1.00 34.12 N ATOM 0 H GLN A 65 -8.346 3.105 13.781 1.00 60.24 H new ATOM 0 HA GLN A 65 -9.809 0.812 14.024 1.00 71.03 H new ATOM 0 HB2 GLN A 65 -7.768 2.247 15.514 1.00 41.41 H new ATOM 0 HB3 GLN A 65 -8.881 1.475 16.626 1.00 41.41 H new ATOM 0 HG2 GLN A 65 -8.442 -0.696 15.732 1.00 12.21 H new ATOM 0 HG3 GLN A 65 -7.651 -0.041 14.312 1.00 12.21 H new ATOM 0 HE21 GLN A 65 -7.390 -0.382 17.857 1.00 34.12 H new ATOM 0 HE22 GLN A 65 -5.625 -0.312 17.917 1.00 34.12 H new ATOM 1044 N PRO A 66 -10.909 3.068 16.208 1.00 41.04 N ATOM 1045 CA PRO A 66 -12.060 3.477 17.018 1.00 44.54 C ATOM 1046 C PRO A 66 -13.207 4.011 16.166 1.00 1.50 C ATOM 1047 O PRO A 66 -14.249 4.407 16.689 1.00 70.45 O ATOM 1048 CB PRO A 66 -11.492 4.588 17.907 1.00 73.54 C ATOM 1049 CG PRO A 66 -10.337 5.132 17.141 1.00 52.11 C ATOM 1050 CD PRO A 66 -9.758 3.970 16.383 1.00 42.44 C ATOM 0 HA PRO A 66 -12.484 2.642 17.575 1.00 44.54 H new ATOM 0 HB2 PRO A 66 -12.237 5.360 18.101 1.00 73.54 H new ATOM 0 HB3 PRO A 66 -11.177 4.198 18.875 1.00 73.54 H new ATOM 0 HG2 PRO A 66 -10.657 5.921 16.461 1.00 52.11 H new ATOM 0 HG3 PRO A 66 -9.596 5.569 17.810 1.00 52.11 H new ATOM 0 HD2 PRO A 66 -9.343 4.282 15.425 1.00 42.44 H new ATOM 0 HD3 PRO A 66 -8.952 3.490 16.938 1.00 42.44 H new ATOM 1058 N SER A 67 -13.007 4.021 14.852 1.00 32.41 N ATOM 1059 CA SER A 67 -14.025 4.510 13.928 1.00 24.53 C ATOM 1060 C SER A 67 -14.628 3.361 13.126 1.00 62.22 C ATOM 1061 O SER A 67 -15.656 3.519 12.468 1.00 40.13 O ATOM 1062 CB SER A 67 -13.424 5.548 12.979 1.00 40.25 C ATOM 1063 OG SER A 67 -13.205 6.780 13.643 1.00 4.15 O ATOM 0 H SER A 67 -12.150 3.697 14.403 1.00 32.41 H new ATOM 0 HA SER A 67 -14.818 4.977 14.513 1.00 24.53 H new ATOM 0 HB2 SER A 67 -12.482 5.175 12.577 1.00 40.25 H new ATOM 0 HB3 SER A 67 -14.093 5.702 12.132 1.00 40.25 H new ATOM 0 HG SER A 67 -12.819 7.426 13.015 1.00 4.15 H new ATOM 1069 N LEU A 68 -13.980 2.202 13.186 1.00 0.33 N ATOM 1070 CA LEU A 68 -14.452 1.024 12.465 1.00 25.24 C ATOM 1071 C LEU A 68 -15.844 0.618 12.938 1.00 60.13 C ATOM 1072 O LEU A 68 -16.648 0.106 12.160 1.00 43.34 O ATOM 1073 CB LEU A 68 -13.476 -0.139 12.658 1.00 71.22 C ATOM 1074 CG LEU A 68 -12.205 -0.097 11.808 1.00 53.11 C ATOM 1075 CD1 LEU A 68 -11.070 -0.827 12.510 1.00 54.24 C ATOM 1076 CD2 LEU A 68 -12.462 -0.701 10.435 1.00 72.10 C ATOM 0 H LEU A 68 -13.127 2.053 13.726 1.00 0.33 H new ATOM 0 HA LEU A 68 -14.507 1.273 11.405 1.00 25.24 H new ATOM 0 HB2 LEU A 68 -13.186 -0.173 13.708 1.00 71.22 H new ATOM 0 HB3 LEU A 68 -14.003 -1.069 12.442 1.00 71.22 H new ATOM 0 HG LEU A 68 -11.913 0.945 11.676 1.00 53.11 H new ATOM 0 HD11 LEU A 68 -10.174 -0.787 11.891 1.00 54.24 H new ATOM 0 HD12 LEU A 68 -10.870 -0.351 13.470 1.00 54.24 H new ATOM 0 HD13 LEU A 68 -11.352 -1.867 12.673 1.00 54.24 H new ATOM 0 HD21 LEU A 68 -11.547 -0.663 9.844 1.00 72.10 H new ATOM 0 HD22 LEU A 68 -12.779 -1.738 10.547 1.00 72.10 H new ATOM 0 HD23 LEU A 68 -13.245 -0.135 9.929 1.00 72.10 H new ATOM 1088 N GLN A 69 -16.122 0.853 14.216 1.00 61.31 N ATOM 1089 CA GLN A 69 -17.418 0.513 14.790 1.00 4.31 C ATOM 1090 C GLN A 69 -18.551 1.145 13.989 1.00 60.21 C ATOM 1091 O GLN A 69 -19.580 0.514 13.742 1.00 24.44 O ATOM 1092 CB GLN A 69 -17.490 0.974 16.248 1.00 60.54 C ATOM 1093 CG GLN A 69 -18.669 0.392 17.011 1.00 62.41 C ATOM 1094 CD GLN A 69 -18.318 0.034 18.442 1.00 31.21 C ATOM 1095 OE1 GLN A 69 -18.247 -1.142 18.800 1.00 34.44 O ATOM 1096 NE2 GLN A 69 -18.096 1.049 19.269 1.00 34.40 N ATOM 0 H GLN A 69 -15.467 1.277 14.873 1.00 61.31 H new ATOM 0 HA GLN A 69 -17.531 -0.570 14.752 1.00 4.31 H new ATOM 0 HB2 GLN A 69 -16.566 0.695 16.755 1.00 60.54 H new ATOM 0 HB3 GLN A 69 -17.552 2.062 16.274 1.00 60.54 H new ATOM 0 HG2 GLN A 69 -19.488 1.111 17.011 1.00 62.41 H new ATOM 0 HG3 GLN A 69 -19.027 -0.499 16.495 1.00 62.41 H new ATOM 0 HE21 GLN A 69 -18.166 2.008 18.929 1.00 34.40 H new ATOM 0 HE22 GLN A 69 -17.856 0.869 20.244 1.00 34.40 H new ATOM 1105 N THR A 70 -18.357 2.397 13.584 1.00 63.44 N ATOM 1106 CA THR A 70 -19.362 3.115 12.811 1.00 31.41 C ATOM 1107 C THR A 70 -18.732 3.841 11.628 1.00 32.41 C ATOM 1108 O THR A 70 -18.986 5.025 11.407 1.00 25.41 O ATOM 1109 CB THR A 70 -20.117 4.136 13.683 1.00 73.13 C ATOM 1110 OG1 THR A 70 -19.213 5.139 14.156 1.00 5.23 O ATOM 1111 CG2 THR A 70 -20.784 3.450 14.865 1.00 35.31 C ATOM 0 H THR A 70 -17.512 2.934 13.779 1.00 63.44 H new ATOM 0 HA THR A 70 -20.068 2.371 12.442 1.00 31.41 H new ATOM 0 HB THR A 70 -20.889 4.602 13.071 1.00 73.13 H new ATOM 0 HG1 THR A 70 -18.857 5.643 13.395 1.00 5.23 H new ATOM 0 HG21 THR A 70 -21.311 4.191 15.466 1.00 35.31 H new ATOM 0 HG22 THR A 70 -21.494 2.707 14.501 1.00 35.31 H new ATOM 0 HG23 THR A 70 -20.026 2.960 15.476 1.00 35.31 H new ATOM 1119 N GLY A 71 -17.909 3.124 10.869 1.00 22.50 N ATOM 1120 CA GLY A 71 -17.256 3.717 9.718 1.00 40.52 C ATOM 1121 C GLY A 71 -17.901 3.306 8.409 1.00 62.42 C ATOM 1122 O GLY A 71 -18.314 2.158 8.246 1.00 25.12 O ATOM 0 H GLY A 71 -17.683 2.143 11.031 1.00 22.50 H new ATOM 0 HA2 GLY A 71 -17.284 4.803 9.808 1.00 40.52 H new ATOM 0 HA3 GLY A 71 -16.206 3.425 9.709 1.00 40.52 H new ATOM 1126 N SER A 72 -17.991 4.247 7.474 1.00 20.42 N ATOM 1127 CA SER A 72 -18.597 3.978 6.175 1.00 72.10 C ATOM 1128 C SER A 72 -17.737 3.013 5.364 1.00 43.04 C ATOM 1129 O SER A 72 -16.628 2.666 5.767 1.00 24.34 O ATOM 1130 CB SER A 72 -18.790 5.282 5.399 1.00 33.02 C ATOM 1131 OG SER A 72 -17.544 5.827 4.999 1.00 13.31 O ATOM 0 H SER A 72 -17.652 5.202 7.592 1.00 20.42 H new ATOM 0 HA SER A 72 -19.570 3.517 6.344 1.00 72.10 H new ATOM 0 HB2 SER A 72 -19.409 5.098 4.521 1.00 33.02 H new ATOM 0 HB3 SER A 72 -19.323 6.002 6.019 1.00 33.02 H new ATOM 0 HG SER A 72 -17.695 6.659 4.503 1.00 13.31 H new ATOM 1137 N GLU A 73 -18.259 2.585 4.219 1.00 71.12 N ATOM 1138 CA GLU A 73 -17.539 1.659 3.351 1.00 2.33 C ATOM 1139 C GLU A 73 -16.218 2.264 2.887 1.00 45.40 C ATOM 1140 O GLU A 73 -15.310 1.549 2.466 1.00 22.43 O ATOM 1141 CB GLU A 73 -18.398 1.290 2.139 1.00 24.34 C ATOM 1142 CG GLU A 73 -19.327 0.114 2.388 1.00 51.34 C ATOM 1143 CD GLU A 73 -20.238 -0.168 1.208 1.00 21.51 C ATOM 1144 OE1 GLU A 73 -20.826 0.792 0.668 1.00 4.21 O ATOM 1145 OE2 GLU A 73 -20.361 -1.350 0.825 1.00 64.53 O ATOM 0 H GLU A 73 -19.176 2.864 3.871 1.00 71.12 H new ATOM 0 HA GLU A 73 -17.324 0.757 3.923 1.00 2.33 H new ATOM 0 HB2 GLU A 73 -18.992 2.156 1.848 1.00 24.34 H new ATOM 0 HB3 GLU A 73 -17.744 1.055 1.299 1.00 24.34 H new ATOM 0 HG2 GLU A 73 -18.733 -0.774 2.605 1.00 51.34 H new ATOM 0 HG3 GLU A 73 -19.934 0.315 3.271 1.00 51.34 H new ATOM 1152 N GLU A 74 -16.119 3.588 2.967 1.00 64.51 N ATOM 1153 CA GLU A 74 -14.909 4.289 2.554 1.00 3.13 C ATOM 1154 C GLU A 74 -13.749 3.973 3.493 1.00 55.00 C ATOM 1155 O GLU A 74 -12.669 3.575 3.053 1.00 54.32 O ATOM 1156 CB GLU A 74 -15.155 5.799 2.519 1.00 2.44 C ATOM 1157 CG GLU A 74 -16.021 6.249 1.356 1.00 51.25 C ATOM 1158 CD GLU A 74 -17.456 6.521 1.766 1.00 64.45 C ATOM 1159 OE1 GLU A 74 -18.255 5.562 1.794 1.00 23.52 O ATOM 1160 OE2 GLU A 74 -17.778 7.691 2.057 1.00 74.30 O ATOM 0 H GLU A 74 -16.861 4.195 3.314 1.00 64.51 H new ATOM 0 HA GLU A 74 -14.646 3.947 1.553 1.00 3.13 H new ATOM 0 HB2 GLU A 74 -15.629 6.103 3.452 1.00 2.44 H new ATOM 0 HB3 GLU A 74 -14.195 6.313 2.467 1.00 2.44 H new ATOM 0 HG2 GLU A 74 -15.595 7.152 0.919 1.00 51.25 H new ATOM 0 HG3 GLU A 74 -16.008 5.483 0.581 1.00 51.25 H new ATOM 1167 N LEU A 75 -13.979 4.153 4.789 1.00 31.24 N ATOM 1168 CA LEU A 75 -12.954 3.887 5.792 1.00 21.34 C ATOM 1169 C LEU A 75 -12.516 2.427 5.750 1.00 43.22 C ATOM 1170 O LEU A 75 -11.340 2.115 5.942 1.00 1.45 O ATOM 1171 CB LEU A 75 -13.475 4.234 7.188 1.00 53.20 C ATOM 1172 CG LEU A 75 -12.477 4.078 8.336 1.00 74.35 C ATOM 1173 CD1 LEU A 75 -12.812 5.036 9.469 1.00 72.53 C ATOM 1174 CD2 LEU A 75 -12.463 2.640 8.837 1.00 1.53 C ATOM 0 H LEU A 75 -14.866 4.482 5.170 1.00 31.24 H new ATOM 0 HA LEU A 75 -12.091 4.513 5.567 1.00 21.34 H new ATOM 0 HB2 LEU A 75 -13.826 5.266 7.177 1.00 53.20 H new ATOM 0 HB3 LEU A 75 -14.340 3.605 7.398 1.00 53.20 H new ATOM 0 HG LEU A 75 -11.482 4.323 7.964 1.00 74.35 H new ATOM 0 HD11 LEU A 75 -12.091 4.910 10.277 1.00 72.53 H new ATOM 0 HD12 LEU A 75 -12.771 6.062 9.102 1.00 72.53 H new ATOM 0 HD13 LEU A 75 -13.814 4.823 9.841 1.00 72.53 H new ATOM 0 HD21 LEU A 75 -11.747 2.546 9.654 1.00 1.53 H new ATOM 0 HD22 LEU A 75 -13.457 2.369 9.192 1.00 1.53 H new ATOM 0 HD23 LEU A 75 -12.174 1.974 8.024 1.00 1.53 H new ATOM 1186 N ARG A 76 -13.468 1.536 5.495 1.00 70.33 N ATOM 1187 CA ARG A 76 -13.180 0.109 5.426 1.00 34.30 C ATOM 1188 C ARG A 76 -12.165 -0.189 4.326 1.00 70.31 C ATOM 1189 O ARG A 76 -11.348 -1.101 4.453 1.00 43.03 O ATOM 1190 CB ARG A 76 -14.467 -0.682 5.175 1.00 44.34 C ATOM 1191 CG ARG A 76 -14.944 -1.468 6.384 1.00 21.23 C ATOM 1192 CD ARG A 76 -14.396 -2.886 6.379 1.00 25.25 C ATOM 1193 NE ARG A 76 -15.366 -3.847 5.864 1.00 71.20 N ATOM 1194 CZ ARG A 76 -16.472 -4.193 6.511 1.00 33.23 C ATOM 1195 NH1 ARG A 76 -16.747 -3.660 7.693 1.00 54.11 N ATOM 1196 NH2 ARG A 76 -17.307 -5.075 5.976 1.00 31.12 N ATOM 0 H ARG A 76 -14.446 1.777 5.333 1.00 70.33 H new ATOM 0 HA ARG A 76 -12.754 -0.196 6.382 1.00 34.30 H new ATOM 0 HB2 ARG A 76 -15.253 0.008 4.867 1.00 44.34 H new ATOM 0 HB3 ARG A 76 -14.304 -1.370 4.346 1.00 44.34 H new ATOM 0 HG2 ARG A 76 -14.632 -0.959 7.296 1.00 21.23 H new ATOM 0 HG3 ARG A 76 -16.034 -1.498 6.393 1.00 21.23 H new ATOM 0 HD2 ARG A 76 -13.492 -2.923 5.771 1.00 25.25 H new ATOM 0 HD3 ARG A 76 -14.110 -3.167 7.393 1.00 25.25 H new ATOM 0 HE ARG A 76 -15.184 -4.276 4.957 1.00 71.20 H new ATOM 0 HH11 ARG A 76 -16.108 -2.982 8.108 1.00 54.11 H new ATOM 0 HH12 ARG A 76 -17.598 -3.928 8.188 1.00 54.11 H new ATOM 0 HH21 ARG A 76 -17.099 -5.488 5.067 1.00 31.12 H new ATOM 0 HH22 ARG A 76 -18.157 -5.340 6.474 1.00 31.12 H new ATOM 1210 N SER A 77 -12.224 0.586 3.248 1.00 0.51 N ATOM 1211 CA SER A 77 -11.313 0.403 2.125 1.00 62.22 C ATOM 1212 C SER A 77 -9.900 0.845 2.493 1.00 44.01 C ATOM 1213 O SER A 77 -8.915 0.317 1.973 1.00 34.14 O ATOM 1214 CB SER A 77 -11.804 1.191 0.908 1.00 12.23 C ATOM 1215 OG SER A 77 -12.891 0.533 0.280 1.00 21.13 O ATOM 0 H SER A 77 -12.893 1.347 3.129 1.00 0.51 H new ATOM 0 HA SER A 77 -11.291 -0.658 1.878 1.00 62.22 H new ATOM 0 HB2 SER A 77 -12.109 2.191 1.217 1.00 12.23 H new ATOM 0 HB3 SER A 77 -10.988 1.313 0.196 1.00 12.23 H new ATOM 0 HG SER A 77 -13.188 1.057 -0.493 1.00 21.13 H new ATOM 1221 N LEU A 78 -9.807 1.817 3.393 1.00 2.34 N ATOM 1222 CA LEU A 78 -8.514 2.332 3.834 1.00 54.35 C ATOM 1223 C LEU A 78 -7.870 1.391 4.844 1.00 25.44 C ATOM 1224 O LEU A 78 -6.748 0.924 4.646 1.00 64.42 O ATOM 1225 CB LEU A 78 -8.680 3.723 4.448 1.00 43.41 C ATOM 1226 CG LEU A 78 -8.116 4.888 3.634 1.00 62.15 C ATOM 1227 CD1 LEU A 78 -6.682 4.601 3.215 1.00 54.02 C ATOM 1228 CD2 LEU A 78 -8.986 5.157 2.415 1.00 44.41 C ATOM 0 H LEU A 78 -10.611 2.265 3.832 1.00 2.34 H new ATOM 0 HA LEU A 78 -7.862 2.402 2.964 1.00 54.35 H new ATOM 0 HB2 LEU A 78 -9.743 3.901 4.612 1.00 43.41 H new ATOM 0 HB3 LEU A 78 -8.202 3.725 5.427 1.00 43.41 H new ATOM 0 HG LEU A 78 -8.118 5.780 4.261 1.00 62.15 H new ATOM 0 HD11 LEU A 78 -6.297 5.441 2.637 1.00 54.02 H new ATOM 0 HD12 LEU A 78 -6.065 4.458 4.102 1.00 54.02 H new ATOM 0 HD13 LEU A 78 -6.655 3.698 2.605 1.00 54.02 H new ATOM 0 HD21 LEU A 78 -8.570 5.989 1.847 1.00 44.41 H new ATOM 0 HD22 LEU A 78 -9.016 4.267 1.786 1.00 44.41 H new ATOM 0 HD23 LEU A 78 -9.997 5.407 2.737 1.00 44.41 H new ATOM 1240 N TYR A 79 -8.586 1.113 5.928 1.00 3.42 N ATOM 1241 CA TYR A 79 -8.083 0.228 6.972 1.00 61.54 C ATOM 1242 C TYR A 79 -7.463 -1.029 6.367 1.00 0.01 C ATOM 1243 O TYR A 79 -6.355 -1.423 6.727 1.00 15.35 O ATOM 1244 CB TYR A 79 -9.211 -0.159 7.930 1.00 44.42 C ATOM 1245 CG TYR A 79 -8.722 -0.662 9.269 1.00 43.42 C ATOM 1246 CD1 TYR A 79 -8.089 0.191 10.164 1.00 1.55 C ATOM 1247 CD2 TYR A 79 -8.892 -1.990 9.638 1.00 32.33 C ATOM 1248 CE1 TYR A 79 -7.640 -0.264 11.389 1.00 20.01 C ATOM 1249 CE2 TYR A 79 -8.448 -2.454 10.862 1.00 63.12 C ATOM 1250 CZ TYR A 79 -7.822 -1.586 11.733 1.00 33.30 C ATOM 1251 OH TYR A 79 -7.376 -2.045 12.952 1.00 15.23 O ATOM 0 H TYR A 79 -9.517 1.488 6.107 1.00 3.42 H new ATOM 0 HA TYR A 79 -7.312 0.763 7.526 1.00 61.54 H new ATOM 0 HB2 TYR A 79 -9.854 0.707 8.089 1.00 44.42 H new ATOM 0 HB3 TYR A 79 -9.824 -0.930 7.463 1.00 44.42 H new ATOM 0 HD1 TYR A 79 -7.945 1.228 9.898 1.00 1.55 H new ATOM 0 HD2 TYR A 79 -9.379 -2.672 8.957 1.00 32.33 H new ATOM 0 HE1 TYR A 79 -7.149 0.413 12.073 1.00 20.01 H new ATOM 0 HE2 TYR A 79 -8.590 -3.489 11.135 1.00 63.12 H new ATOM 0 HH TYR A 79 -7.584 -2.999 13.038 1.00 15.23 H new ATOM 1261 N ASN A 80 -8.188 -1.653 5.444 1.00 44.24 N ATOM 1262 CA ASN A 80 -7.710 -2.864 4.787 1.00 72.22 C ATOM 1263 C ASN A 80 -6.291 -2.674 4.259 1.00 53.22 C ATOM 1264 O ASN A 80 -5.336 -3.236 4.795 1.00 71.33 O ATOM 1265 CB ASN A 80 -8.646 -3.251 3.640 1.00 52.22 C ATOM 1266 CG ASN A 80 -9.840 -4.057 4.114 1.00 14.22 C ATOM 1267 OD1 ASN A 80 -10.002 -4.302 5.311 1.00 42.13 O ATOM 1268 ND2 ASN A 80 -10.683 -4.472 3.177 1.00 62.45 N ATOM 0 H ASN A 80 -9.108 -1.340 5.134 1.00 44.24 H new ATOM 0 HA ASN A 80 -7.699 -3.667 5.524 1.00 72.22 H new ATOM 0 HB2 ASN A 80 -8.996 -2.348 3.140 1.00 52.22 H new ATOM 0 HB3 ASN A 80 -8.091 -3.829 2.901 1.00 52.22 H new ATOM 0 HD21 ASN A 80 -11.505 -5.017 3.436 1.00 62.45 H new ATOM 0 HD22 ASN A 80 -10.509 -4.246 2.198 1.00 62.45 H new ATOM 1275 N THR A 81 -6.161 -1.876 3.203 1.00 62.43 N ATOM 1276 CA THR A 81 -4.860 -1.612 2.601 1.00 52.40 C ATOM 1277 C THR A 81 -3.832 -1.233 3.660 1.00 1.32 C ATOM 1278 O THR A 81 -2.802 -1.893 3.803 1.00 62.44 O ATOM 1279 CB THR A 81 -4.944 -0.483 1.556 1.00 14.04 C ATOM 1280 OG1 THR A 81 -5.762 -0.895 0.455 1.00 2.53 O ATOM 1281 CG2 THR A 81 -3.559 -0.107 1.053 1.00 72.24 C ATOM 0 H THR A 81 -6.941 -1.402 2.748 1.00 62.43 H new ATOM 0 HA THR A 81 -4.547 -2.532 2.107 1.00 52.40 H new ATOM 0 HB THR A 81 -5.389 0.391 2.032 1.00 14.04 H new ATOM 0 HG1 THR A 81 -5.812 -0.172 -0.204 1.00 2.53 H new ATOM 0 HG21 THR A 81 -3.644 0.692 0.316 1.00 72.24 H new ATOM 0 HG22 THR A 81 -2.948 0.234 1.889 1.00 72.24 H new ATOM 0 HG23 THR A 81 -3.091 -0.977 0.593 1.00 72.24 H new ATOM 1289 N ILE A 82 -4.117 -0.167 4.401 1.00 70.24 N ATOM 1290 CA ILE A 82 -3.216 0.298 5.448 1.00 42.41 C ATOM 1291 C ILE A 82 -2.625 -0.874 6.225 1.00 51.33 C ATOM 1292 O ILE A 82 -1.415 -0.943 6.439 1.00 42.14 O ATOM 1293 CB ILE A 82 -3.934 1.241 6.431 1.00 74.41 C ATOM 1294 CG1 ILE A 82 -4.407 2.504 5.708 1.00 23.11 C ATOM 1295 CG2 ILE A 82 -3.016 1.599 7.589 1.00 3.21 C ATOM 1296 CD1 ILE A 82 -5.405 3.317 6.501 1.00 0.14 C ATOM 0 H ILE A 82 -4.965 0.391 4.295 1.00 70.24 H new ATOM 0 HA ILE A 82 -2.413 0.845 4.953 1.00 42.41 H new ATOM 0 HB ILE A 82 -4.807 0.726 6.832 1.00 74.41 H new ATOM 0 HG12 ILE A 82 -3.542 3.127 5.480 1.00 23.11 H new ATOM 0 HG13 ILE A 82 -4.856 2.221 4.756 1.00 23.11 H new ATOM 0 HG21 ILE A 82 -3.538 2.266 8.275 1.00 3.21 H new ATOM 0 HG22 ILE A 82 -2.725 0.691 8.117 1.00 3.21 H new ATOM 0 HG23 ILE A 82 -2.125 2.097 7.206 1.00 3.21 H new ATOM 0 HD11 ILE A 82 -5.696 4.197 5.927 1.00 0.14 H new ATOM 0 HD12 ILE A 82 -6.287 2.710 6.707 1.00 0.14 H new ATOM 0 HD13 ILE A 82 -4.953 3.631 7.442 1.00 0.14 H new ATOM 1308 N ALA A 83 -3.487 -1.794 6.643 1.00 75.30 N ATOM 1309 CA ALA A 83 -3.050 -2.965 7.392 1.00 30.44 C ATOM 1310 C ALA A 83 -2.217 -3.897 6.519 1.00 12.03 C ATOM 1311 O ALA A 83 -1.259 -4.512 6.987 1.00 51.41 O ATOM 1312 CB ALA A 83 -4.252 -3.706 7.962 1.00 23.10 C ATOM 0 H ALA A 83 -4.492 -1.751 6.476 1.00 75.30 H new ATOM 0 HA ALA A 83 -2.422 -2.625 8.216 1.00 30.44 H new ATOM 0 HB1 ALA A 83 -3.911 -4.579 8.519 1.00 23.10 H new ATOM 0 HB2 ALA A 83 -4.805 -3.044 8.628 1.00 23.10 H new ATOM 0 HB3 ALA A 83 -4.901 -4.027 7.147 1.00 23.10 H new ATOM 1318 N VAL A 84 -2.590 -3.998 5.247 1.00 32.02 N ATOM 1319 CA VAL A 84 -1.877 -4.855 4.308 1.00 53.34 C ATOM 1320 C VAL A 84 -0.498 -4.289 3.986 1.00 73.35 C ATOM 1321 O VAL A 84 0.427 -5.031 3.651 1.00 30.42 O ATOM 1322 CB VAL A 84 -2.667 -5.030 2.997 1.00 64.24 C ATOM 1323 CG1 VAL A 84 -2.031 -6.105 2.129 1.00 63.11 C ATOM 1324 CG2 VAL A 84 -4.121 -5.363 3.292 1.00 21.44 C ATOM 0 H VAL A 84 -3.382 -3.497 4.844 1.00 32.02 H new ATOM 0 HA VAL A 84 -1.765 -5.827 4.788 1.00 53.34 H new ATOM 0 HB VAL A 84 -2.638 -4.089 2.448 1.00 64.24 H new ATOM 0 HG11 VAL A 84 -2.603 -6.214 1.208 1.00 63.11 H new ATOM 0 HG12 VAL A 84 -1.007 -5.820 1.889 1.00 63.11 H new ATOM 0 HG13 VAL A 84 -2.027 -7.052 2.668 1.00 63.11 H new ATOM 0 HG21 VAL A 84 -4.664 -5.483 2.355 1.00 21.44 H new ATOM 0 HG22 VAL A 84 -4.173 -6.290 3.863 1.00 21.44 H new ATOM 0 HG23 VAL A 84 -4.569 -4.555 3.870 1.00 21.44 H new ATOM 1334 N LEU A 85 -0.366 -2.972 4.089 1.00 54.34 N ATOM 1335 CA LEU A 85 0.900 -2.306 3.809 1.00 44.23 C ATOM 1336 C LEU A 85 1.879 -2.488 4.965 1.00 52.14 C ATOM 1337 O LEU A 85 3.066 -2.737 4.754 1.00 53.21 O ATOM 1338 CB LEU A 85 0.669 -0.816 3.551 1.00 4.34 C ATOM 1339 CG LEU A 85 1.926 0.037 3.368 1.00 64.04 C ATOM 1340 CD1 LEU A 85 2.864 -0.606 2.358 1.00 64.22 C ATOM 1341 CD2 LEU A 85 1.556 1.447 2.932 1.00 33.22 C ATOM 0 H LEU A 85 -1.121 -2.344 4.365 1.00 54.34 H new ATOM 0 HA LEU A 85 1.331 -2.760 2.917 1.00 44.23 H new ATOM 0 HB2 LEU A 85 0.052 -0.714 2.658 1.00 4.34 H new ATOM 0 HB3 LEU A 85 0.096 -0.408 4.383 1.00 4.34 H new ATOM 0 HG LEU A 85 2.442 0.099 4.326 1.00 64.04 H new ATOM 0 HD11 LEU A 85 3.753 0.014 2.240 1.00 64.22 H new ATOM 0 HD12 LEU A 85 3.156 -1.595 2.711 1.00 64.22 H new ATOM 0 HD13 LEU A 85 2.357 -0.699 1.398 1.00 64.22 H new ATOM 0 HD21 LEU A 85 2.463 2.039 2.807 1.00 33.22 H new ATOM 0 HD22 LEU A 85 1.016 1.405 1.986 1.00 33.22 H new ATOM 0 HD23 LEU A 85 0.923 1.908 3.690 1.00 33.22 H new ATOM 1353 N TYR A 86 1.372 -2.363 6.187 1.00 63.32 N ATOM 1354 CA TYR A 86 2.201 -2.515 7.377 1.00 40.31 C ATOM 1355 C TYR A 86 3.035 -3.789 7.301 1.00 30.32 C ATOM 1356 O TYR A 86 4.211 -3.798 7.667 1.00 10.03 O ATOM 1357 CB TYR A 86 1.327 -2.537 8.632 1.00 10.35 C ATOM 1358 CG TYR A 86 2.094 -2.845 9.898 1.00 25.44 C ATOM 1359 CD1 TYR A 86 2.772 -1.846 10.585 1.00 31.44 C ATOM 1360 CD2 TYR A 86 2.141 -4.138 10.407 1.00 43.13 C ATOM 1361 CE1 TYR A 86 3.475 -2.125 11.742 1.00 55.30 C ATOM 1362 CE2 TYR A 86 2.840 -4.425 11.563 1.00 22.12 C ATOM 1363 CZ TYR A 86 3.506 -3.416 12.227 1.00 11.22 C ATOM 1364 OH TYR A 86 4.203 -3.697 13.379 1.00 12.34 O ATOM 0 H TYR A 86 0.392 -2.157 6.379 1.00 63.32 H new ATOM 0 HA TYR A 86 2.879 -1.663 7.429 1.00 40.31 H new ATOM 0 HB2 TYR A 86 0.837 -1.569 8.740 1.00 10.35 H new ATOM 0 HB3 TYR A 86 0.540 -3.280 8.504 1.00 10.35 H new ATOM 0 HD1 TYR A 86 2.749 -0.834 10.209 1.00 31.44 H new ATOM 0 HD2 TYR A 86 1.622 -4.931 9.890 1.00 43.13 H new ATOM 0 HE1 TYR A 86 3.997 -1.336 12.263 1.00 55.30 H new ATOM 0 HE2 TYR A 86 2.865 -5.435 11.945 1.00 22.12 H new ATOM 0 HH TYR A 86 4.124 -4.652 13.585 1.00 12.34 H new ATOM 1374 N CYS A 87 2.418 -4.865 6.824 1.00 61.11 N ATOM 1375 CA CYS A 87 3.103 -6.147 6.700 1.00 51.03 C ATOM 1376 C CYS A 87 4.142 -6.102 5.584 1.00 71.40 C ATOM 1377 O CYS A 87 5.162 -6.790 5.643 1.00 34.43 O ATOM 1378 CB CYS A 87 2.093 -7.263 6.430 1.00 70.03 C ATOM 1379 SG CYS A 87 1.402 -8.011 7.923 1.00 33.15 S ATOM 0 H CYS A 87 1.445 -4.875 6.517 1.00 61.11 H new ATOM 0 HA CYS A 87 3.616 -6.351 7.640 1.00 51.03 H new ATOM 0 HB2 CYS A 87 1.278 -6.863 5.827 1.00 70.03 H new ATOM 0 HB3 CYS A 87 2.576 -8.040 5.838 1.00 70.03 H new ATOM 0 HG CYS A 87 0.557 -8.942 7.591 1.00 33.15 H new ATOM 1385 N VAL A 88 3.875 -5.291 4.566 1.00 33.30 N ATOM 1386 CA VAL A 88 4.786 -5.158 3.435 1.00 4.34 C ATOM 1387 C VAL A 88 6.110 -4.536 3.867 1.00 12.44 C ATOM 1388 O VAL A 88 7.165 -4.852 3.318 1.00 4.33 O ATOM 1389 CB VAL A 88 4.169 -4.300 2.315 1.00 64.02 C ATOM 1390 CG1 VAL A 88 5.154 -4.129 1.169 1.00 73.35 C ATOM 1391 CG2 VAL A 88 2.869 -4.920 1.825 1.00 3.11 C ATOM 0 H VAL A 88 3.035 -4.716 4.501 1.00 33.30 H new ATOM 0 HA VAL A 88 4.967 -6.163 3.054 1.00 4.34 H new ATOM 0 HB VAL A 88 3.944 -3.313 2.719 1.00 64.02 H new ATOM 0 HG11 VAL A 88 4.700 -3.520 0.387 1.00 73.35 H new ATOM 0 HG12 VAL A 88 6.056 -3.638 1.534 1.00 73.35 H new ATOM 0 HG13 VAL A 88 5.413 -5.107 0.763 1.00 73.35 H new ATOM 0 HG21 VAL A 88 2.446 -4.301 1.034 1.00 3.11 H new ATOM 0 HG22 VAL A 88 3.066 -5.920 1.438 1.00 3.11 H new ATOM 0 HG23 VAL A 88 2.162 -4.984 2.652 1.00 3.11 H new ATOM 1401 N HIS A 89 6.045 -3.647 4.855 1.00 64.32 N ATOM 1402 CA HIS A 89 7.239 -2.980 5.362 1.00 65.02 C ATOM 1403 C HIS A 89 7.852 -3.767 6.517 1.00 33.41 C ATOM 1404 O HIS A 89 9.051 -3.608 6.736 1.00 44.30 O ATOM 1405 CB HIS A 89 6.901 -1.561 5.821 1.00 53.54 C ATOM 1406 CG HIS A 89 6.465 -0.660 4.706 1.00 74.43 C ATOM 1407 ND1 HIS A 89 7.189 -0.495 3.544 1.00 11.35 N ATOM 1408 CD2 HIS A 89 5.370 0.126 4.579 1.00 74.54 C ATOM 1409 CE1 HIS A 89 6.559 0.355 2.753 1.00 2.11 C ATOM 1410 NE2 HIS A 89 5.452 0.745 3.358 1.00 50.44 N ATOM 0 H HIS A 89 5.179 -3.373 5.319 1.00 64.32 H new ATOM 0 HA HIS A 89 7.967 -2.929 4.552 1.00 65.02 H new ATOM 0 HB2 HIS A 89 6.110 -1.609 6.569 1.00 53.54 H new ATOM 0 HB3 HIS A 89 7.775 -1.127 6.308 1.00 53.54 H new ATOM 0 HD1 HIS A 89 8.073 -0.957 3.329 1.00 11.35 H new ATOM 0 HD2 HIS A 89 4.579 0.244 5.305 1.00 74.54 H new ATOM 0 HE1 HIS A 89 6.893 0.676 1.777 1.00 2.11 H new ATOM 1419 N GLN A 90 7.086 -4.582 7.236 1.00 55.12 N ATOM 1420 CA GLN A 90 7.626 -5.353 8.349 1.00 25.12 C ATOM 1421 C GLN A 90 8.159 -6.699 7.871 1.00 25.11 C ATOM 1422 O GLN A 90 8.499 -7.566 8.677 1.00 41.33 O ATOM 1423 CB GLN A 90 6.553 -5.567 9.418 1.00 60.40 C ATOM 1424 CG GLN A 90 6.898 -4.942 10.760 1.00 4.11 C ATOM 1425 CD GLN A 90 6.639 -5.879 11.924 1.00 41.34 C ATOM 1426 OE1 GLN A 90 5.831 -6.802 11.825 1.00 70.24 O ATOM 1427 NE2 GLN A 90 7.326 -5.646 13.036 1.00 14.15 N ATOM 0 H GLN A 90 6.090 -4.725 7.067 1.00 55.12 H new ATOM 0 HA GLN A 90 8.452 -4.788 8.781 1.00 25.12 H new ATOM 0 HB2 GLN A 90 5.611 -5.149 9.064 1.00 60.40 H new ATOM 0 HB3 GLN A 90 6.396 -6.637 9.554 1.00 60.40 H new ATOM 0 HG2 GLN A 90 7.948 -4.649 10.761 1.00 4.11 H new ATOM 0 HG3 GLN A 90 6.313 -4.032 10.894 1.00 4.11 H new ATOM 0 HE21 GLN A 90 7.986 -4.869 13.074 1.00 14.15 H new ATOM 0 HE22 GLN A 90 7.194 -6.244 13.852 1.00 14.15 H new ATOM 1436 N ARG A 91 8.229 -6.868 6.555 1.00 64.44 N ATOM 1437 CA ARG A 91 8.720 -8.110 5.969 1.00 65.23 C ATOM 1438 C ARG A 91 7.803 -9.277 6.322 1.00 61.13 C ATOM 1439 O ARG A 91 8.258 -10.310 6.814 1.00 5.34 O ATOM 1440 CB ARG A 91 10.142 -8.400 6.452 1.00 13.01 C ATOM 1441 CG ARG A 91 11.077 -7.206 6.348 1.00 52.20 C ATOM 1442 CD ARG A 91 11.505 -6.713 7.721 1.00 3.42 C ATOM 1443 NE ARG A 91 12.330 -7.693 8.422 1.00 14.02 N ATOM 1444 CZ ARG A 91 13.052 -7.409 9.501 1.00 72.34 C ATOM 1445 NH1 ARG A 91 13.050 -6.180 9.999 1.00 22.34 N ATOM 1446 NH2 ARG A 91 13.777 -8.355 10.083 1.00 61.32 N ATOM 0 H ARG A 91 7.952 -6.161 5.874 1.00 64.44 H new ATOM 0 HA ARG A 91 8.729 -7.992 4.885 1.00 65.23 H new ATOM 0 HB2 ARG A 91 10.104 -8.731 7.490 1.00 13.01 H new ATOM 0 HB3 ARG A 91 10.553 -9.224 5.869 1.00 13.01 H new ATOM 0 HG2 ARG A 91 11.958 -7.482 5.768 1.00 52.20 H new ATOM 0 HG3 ARG A 91 10.580 -6.399 5.809 1.00 52.20 H new ATOM 0 HD2 ARG A 91 12.061 -5.781 7.615 1.00 3.42 H new ATOM 0 HD3 ARG A 91 10.621 -6.490 8.318 1.00 3.42 H new ATOM 0 HE ARG A 91 12.353 -8.648 8.064 1.00 14.02 H new ATOM 0 HH11 ARG A 91 12.494 -5.450 9.554 1.00 22.34 H new ATOM 0 HH12 ARG A 91 13.605 -5.964 10.827 1.00 22.34 H new ATOM 0 HH21 ARG A 91 13.781 -9.301 9.702 1.00 61.32 H new ATOM 0 HH22 ARG A 91 14.331 -8.136 10.911 1.00 61.32 H new ATOM 1460 N ILE A 92 6.510 -9.105 6.067 1.00 4.42 N ATOM 1461 CA ILE A 92 5.530 -10.144 6.358 1.00 1.02 C ATOM 1462 C ILE A 92 4.688 -10.465 5.128 1.00 42.11 C ATOM 1463 O ILE A 92 4.217 -9.564 4.434 1.00 53.23 O ATOM 1464 CB ILE A 92 4.597 -9.730 7.512 1.00 65.41 C ATOM 1465 CG1 ILE A 92 5.414 -9.391 8.761 1.00 70.44 C ATOM 1466 CG2 ILE A 92 3.600 -10.841 7.809 1.00 13.50 C ATOM 1467 CD1 ILE A 92 4.572 -8.902 9.918 1.00 52.33 C ATOM 0 H ILE A 92 6.117 -8.256 5.660 1.00 4.42 H new ATOM 0 HA ILE A 92 6.089 -11.032 6.654 1.00 1.02 H new ATOM 0 HB ILE A 92 4.043 -8.841 7.212 1.00 65.41 H new ATOM 0 HG12 ILE A 92 5.969 -10.276 9.074 1.00 70.44 H new ATOM 0 HG13 ILE A 92 6.149 -8.627 8.508 1.00 70.44 H new ATOM 0 HG21 ILE A 92 2.947 -10.535 8.626 1.00 13.50 H new ATOM 0 HG22 ILE A 92 3.001 -11.039 6.920 1.00 13.50 H new ATOM 0 HG23 ILE A 92 4.137 -11.746 8.093 1.00 13.50 H new ATOM 0 HD11 ILE A 92 5.216 -8.681 10.769 1.00 52.33 H new ATOM 0 HD12 ILE A 92 4.038 -7.999 9.623 1.00 52.33 H new ATOM 0 HD13 ILE A 92 3.854 -9.673 10.197 1.00 52.33 H new ATOM 1479 N ASP A 93 4.501 -11.753 4.865 1.00 24.33 N ATOM 1480 CA ASP A 93 3.713 -12.194 3.721 1.00 44.43 C ATOM 1481 C ASP A 93 2.428 -12.880 4.177 1.00 44.33 C ATOM 1482 O ASP A 93 2.468 -13.920 4.832 1.00 34.34 O ATOM 1483 CB ASP A 93 4.531 -13.146 2.846 1.00 32.43 C ATOM 1484 CG ASP A 93 3.976 -13.264 1.441 1.00 1.41 C ATOM 1485 OD1 ASP A 93 2.740 -13.179 1.282 1.00 40.22 O ATOM 1486 OD2 ASP A 93 4.777 -13.438 0.499 1.00 4.22 O ATOM 0 H ASP A 93 4.885 -12.511 5.429 1.00 24.33 H new ATOM 0 HA ASP A 93 3.446 -11.314 3.136 1.00 44.43 H new ATOM 0 HB2 ASP A 93 5.562 -12.795 2.798 1.00 32.43 H new ATOM 0 HB3 ASP A 93 4.552 -14.133 3.309 1.00 32.43 H new ATOM 1491 N VAL A 94 1.291 -12.287 3.825 1.00 20.40 N ATOM 1492 CA VAL A 94 -0.005 -12.841 4.198 1.00 14.21 C ATOM 1493 C VAL A 94 -0.657 -13.557 3.021 1.00 40.43 C ATOM 1494 O VAL A 94 -0.462 -13.179 1.865 1.00 64.42 O ATOM 1495 CB VAL A 94 -0.958 -11.743 4.709 1.00 71.33 C ATOM 1496 CG1 VAL A 94 -0.388 -11.077 5.952 1.00 55.02 C ATOM 1497 CG2 VAL A 94 -1.221 -10.717 3.616 1.00 35.44 C ATOM 0 H VAL A 94 1.241 -11.424 3.283 1.00 20.40 H new ATOM 0 HA VAL A 94 0.176 -13.557 4.999 1.00 14.21 H new ATOM 0 HB VAL A 94 -1.908 -12.205 4.978 1.00 71.33 H new ATOM 0 HG11 VAL A 94 -1.075 -10.305 6.298 1.00 55.02 H new ATOM 0 HG12 VAL A 94 -0.255 -11.823 6.736 1.00 55.02 H new ATOM 0 HG13 VAL A 94 0.575 -10.626 5.714 1.00 55.02 H new ATOM 0 HG21 VAL A 94 -1.896 -9.949 3.993 1.00 35.44 H new ATOM 0 HG22 VAL A 94 -0.280 -10.257 3.314 1.00 35.44 H new ATOM 0 HG23 VAL A 94 -1.676 -11.209 2.757 1.00 35.44 H new ATOM 1507 N LYS A 95 -1.433 -14.592 3.321 1.00 64.50 N ATOM 1508 CA LYS A 95 -2.116 -15.362 2.288 1.00 71.12 C ATOM 1509 C LYS A 95 -3.207 -14.530 1.622 1.00 74.31 C ATOM 1510 O LYS A 95 -3.677 -14.863 0.534 1.00 0.02 O ATOM 1511 CB LYS A 95 -2.722 -16.633 2.887 1.00 60.21 C ATOM 1512 CG LYS A 95 -3.637 -16.370 4.071 1.00 61.43 C ATOM 1513 CD LYS A 95 -4.618 -17.511 4.282 1.00 71.11 C ATOM 1514 CE LYS A 95 -3.985 -18.655 5.059 1.00 65.32 C ATOM 1515 NZ LYS A 95 -4.999 -19.435 5.822 1.00 5.44 N ATOM 0 H LYS A 95 -1.605 -14.918 4.272 1.00 64.50 H new ATOM 0 HA LYS A 95 -1.382 -15.639 1.531 1.00 71.12 H new ATOM 0 HB2 LYS A 95 -3.284 -17.157 2.114 1.00 60.21 H new ATOM 0 HB3 LYS A 95 -1.916 -17.297 3.201 1.00 60.21 H new ATOM 0 HG2 LYS A 95 -3.038 -16.233 4.971 1.00 61.43 H new ATOM 0 HG3 LYS A 95 -4.186 -15.442 3.909 1.00 61.43 H new ATOM 0 HD2 LYS A 95 -5.493 -17.145 4.820 1.00 71.11 H new ATOM 0 HD3 LYS A 95 -4.967 -17.875 3.316 1.00 71.11 H new ATOM 0 HE2 LYS A 95 -3.462 -19.317 4.369 1.00 65.32 H new ATOM 0 HE3 LYS A 95 -3.239 -18.258 5.747 1.00 65.32 H new ATOM 0 HZ1 LYS A 95 -4.528 -20.205 6.338 1.00 5.44 H new ATOM 0 HZ2 LYS A 95 -5.481 -18.809 6.498 1.00 5.44 H new ATOM 0 HZ3 LYS A 95 -5.697 -19.836 5.163 1.00 5.44 H new ATOM 1529 N ASP A 96 -3.604 -13.447 2.280 1.00 31.45 N ATOM 1530 CA ASP A 96 -4.639 -12.566 1.751 1.00 65.25 C ATOM 1531 C ASP A 96 -4.824 -11.346 2.647 1.00 61.02 C ATOM 1532 O ASP A 96 -4.140 -11.195 3.660 1.00 63.13 O ATOM 1533 CB ASP A 96 -5.961 -13.321 1.616 1.00 60.13 C ATOM 1534 CG ASP A 96 -6.166 -14.335 2.725 1.00 10.33 C ATOM 1535 OD1 ASP A 96 -6.508 -13.920 3.852 1.00 45.11 O ATOM 1536 OD2 ASP A 96 -5.984 -15.542 2.465 1.00 13.03 O ATOM 0 H ASP A 96 -3.225 -13.158 3.181 1.00 31.45 H new ATOM 0 HA ASP A 96 -4.323 -12.225 0.765 1.00 65.25 H new ATOM 0 HB2 ASP A 96 -6.785 -12.608 1.623 1.00 60.13 H new ATOM 0 HB3 ASP A 96 -5.988 -13.830 0.653 1.00 60.13 H new ATOM 1541 N THR A 97 -5.755 -10.475 2.268 1.00 44.14 N ATOM 1542 CA THR A 97 -6.029 -9.267 3.035 1.00 72.22 C ATOM 1543 C THR A 97 -6.617 -9.605 4.401 1.00 2.42 C ATOM 1544 O THR A 97 -6.682 -8.754 5.288 1.00 23.24 O ATOM 1545 CB THR A 97 -7.001 -8.335 2.287 1.00 23.21 C ATOM 1546 OG1 THR A 97 -6.434 -7.943 1.032 1.00 71.12 O ATOM 1547 CG2 THR A 97 -7.311 -7.099 3.118 1.00 71.03 C ATOM 0 H THR A 97 -6.332 -10.585 1.434 1.00 44.14 H new ATOM 0 HA THR A 97 -5.076 -8.754 3.169 1.00 72.22 H new ATOM 0 HB THR A 97 -7.930 -8.878 2.112 1.00 23.21 H new ATOM 0 HG1 THR A 97 -6.208 -6.990 1.059 1.00 71.12 H new ATOM 0 HG21 THR A 97 -7.999 -6.455 2.570 1.00 71.03 H new ATOM 0 HG22 THR A 97 -7.768 -7.400 4.061 1.00 71.03 H new ATOM 0 HG23 THR A 97 -6.388 -6.555 3.320 1.00 71.03 H new ATOM 1555 N LYS A 98 -7.043 -10.853 4.564 1.00 42.05 N ATOM 1556 CA LYS A 98 -7.624 -11.305 5.822 1.00 31.03 C ATOM 1557 C LYS A 98 -6.534 -11.701 6.813 1.00 31.35 C ATOM 1558 O LYS A 98 -6.441 -11.140 7.904 1.00 41.00 O ATOM 1559 CB LYS A 98 -8.562 -12.489 5.579 1.00 51.44 C ATOM 1560 CG LYS A 98 -9.591 -12.686 6.678 1.00 21.34 C ATOM 1561 CD LYS A 98 -10.797 -13.465 6.182 1.00 72.25 C ATOM 1562 CE LYS A 98 -11.987 -13.307 7.115 1.00 62.03 C ATOM 1563 NZ LYS A 98 -12.683 -14.602 7.351 1.00 71.40 N ATOM 0 H LYS A 98 -6.997 -11.570 3.840 1.00 42.05 H new ATOM 0 HA LYS A 98 -8.195 -10.479 6.247 1.00 31.03 H new ATOM 0 HB2 LYS A 98 -9.079 -12.343 4.631 1.00 51.44 H new ATOM 0 HB3 LYS A 98 -7.968 -13.398 5.482 1.00 51.44 H new ATOM 0 HG2 LYS A 98 -9.134 -13.215 7.514 1.00 21.34 H new ATOM 0 HG3 LYS A 98 -9.914 -11.715 7.053 1.00 21.34 H new ATOM 0 HD2 LYS A 98 -11.068 -13.121 5.184 1.00 72.25 H new ATOM 0 HD3 LYS A 98 -10.539 -14.521 6.096 1.00 72.25 H new ATOM 0 HE2 LYS A 98 -11.650 -12.897 8.067 1.00 62.03 H new ATOM 0 HE3 LYS A 98 -12.689 -12.590 6.690 1.00 62.03 H new ATOM 0 HZ1 LYS A 98 -13.488 -14.452 7.992 1.00 71.40 H new ATOM 0 HZ2 LYS A 98 -13.027 -14.981 6.446 1.00 71.40 H new ATOM 0 HZ3 LYS A 98 -12.020 -15.279 7.780 1.00 71.40 H new ATOM 1577 N GLU A 99 -5.713 -12.672 6.425 1.00 40.22 N ATOM 1578 CA GLU A 99 -4.629 -13.143 7.280 1.00 53.42 C ATOM 1579 C GLU A 99 -3.809 -11.971 7.813 1.00 71.23 C ATOM 1580 O GLU A 99 -3.196 -12.062 8.876 1.00 53.31 O ATOM 1581 CB GLU A 99 -3.723 -14.104 6.510 1.00 70.32 C ATOM 1582 CG GLU A 99 -2.735 -14.849 7.392 1.00 22.13 C ATOM 1583 CD GLU A 99 -3.282 -16.170 7.895 1.00 33.14 C ATOM 1584 OE1 GLU A 99 -4.521 -16.335 7.907 1.00 43.22 O ATOM 1585 OE2 GLU A 99 -2.472 -17.040 8.277 1.00 34.12 O ATOM 0 H GLU A 99 -5.778 -13.148 5.525 1.00 40.22 H new ATOM 0 HA GLU A 99 -5.070 -13.671 8.126 1.00 53.42 H new ATOM 0 HB2 GLU A 99 -4.342 -14.828 5.981 1.00 70.32 H new ATOM 0 HB3 GLU A 99 -3.172 -13.544 5.755 1.00 70.32 H new ATOM 0 HG2 GLU A 99 -1.818 -15.030 6.831 1.00 22.13 H new ATOM 0 HG3 GLU A 99 -2.470 -14.222 8.243 1.00 22.13 H new ATOM 1592 N ALA A 100 -3.804 -10.872 7.067 1.00 43.44 N ATOM 1593 CA ALA A 100 -3.061 -9.682 7.464 1.00 61.35 C ATOM 1594 C ALA A 100 -3.562 -9.143 8.800 1.00 72.34 C ATOM 1595 O ALA A 100 -2.773 -8.876 9.707 1.00 14.41 O ATOM 1596 CB ALA A 100 -3.165 -8.611 6.388 1.00 61.31 C ATOM 0 H ALA A 100 -4.306 -10.780 6.184 1.00 43.44 H new ATOM 0 HA ALA A 100 -2.014 -9.960 7.584 1.00 61.35 H new ATOM 0 HB1 ALA A 100 -2.606 -7.728 6.698 1.00 61.31 H new ATOM 0 HB2 ALA A 100 -2.753 -8.992 5.454 1.00 61.31 H new ATOM 0 HB3 ALA A 100 -4.211 -8.344 6.240 1.00 61.31 H new ATOM 1602 N LEU A 101 -4.876 -8.984 8.912 1.00 22.33 N ATOM 1603 CA LEU A 101 -5.483 -8.476 10.138 1.00 3.34 C ATOM 1604 C LEU A 101 -5.054 -9.306 11.343 1.00 25.34 C ATOM 1605 O LEU A 101 -4.487 -8.781 12.302 1.00 52.31 O ATOM 1606 CB LEU A 101 -7.007 -8.483 10.017 1.00 53.11 C ATOM 1607 CG LEU A 101 -7.690 -7.115 10.062 1.00 33.33 C ATOM 1608 CD1 LEU A 101 -7.256 -6.343 11.298 1.00 33.55 C ATOM 1609 CD2 LEU A 101 -7.382 -6.322 8.801 1.00 31.41 C ATOM 0 H LEU A 101 -5.541 -9.199 8.170 1.00 22.33 H new ATOM 0 HA LEU A 101 -5.141 -7.452 10.285 1.00 3.34 H new ATOM 0 HB2 LEU A 101 -7.275 -8.970 9.079 1.00 53.11 H new ATOM 0 HB3 LEU A 101 -7.413 -9.096 10.822 1.00 53.11 H new ATOM 0 HG LEU A 101 -8.768 -7.270 10.115 1.00 33.33 H new ATOM 0 HD11 LEU A 101 -7.752 -5.372 11.313 1.00 33.55 H new ATOM 0 HD12 LEU A 101 -7.529 -6.904 12.192 1.00 33.55 H new ATOM 0 HD13 LEU A 101 -6.176 -6.198 11.276 1.00 33.55 H new ATOM 0 HD21 LEU A 101 -7.876 -5.352 8.851 1.00 31.41 H new ATOM 0 HD22 LEU A 101 -6.305 -6.176 8.717 1.00 31.41 H new ATOM 0 HD23 LEU A 101 -7.743 -6.869 7.930 1.00 31.41 H new ATOM 1621 N ASP A 102 -5.325 -10.606 11.287 1.00 42.01 N ATOM 1622 CA ASP A 102 -4.964 -11.510 12.372 1.00 0.13 C ATOM 1623 C ASP A 102 -3.453 -11.529 12.584 1.00 31.42 C ATOM 1624 O ASP A 102 -2.958 -12.111 13.550 1.00 5.31 O ATOM 1625 CB ASP A 102 -5.468 -12.924 12.076 1.00 42.20 C ATOM 1626 CG ASP A 102 -6.705 -13.277 12.878 1.00 60.33 C ATOM 1627 OD1 ASP A 102 -6.560 -13.634 14.065 1.00 72.31 O ATOM 1628 OD2 ASP A 102 -7.818 -13.198 12.317 1.00 53.41 O ATOM 0 H ASP A 102 -5.794 -11.057 10.501 1.00 42.01 H new ATOM 0 HA ASP A 102 -5.436 -11.148 13.285 1.00 0.13 H new ATOM 0 HB2 ASP A 102 -5.691 -13.012 11.013 1.00 42.20 H new ATOM 0 HB3 ASP A 102 -4.678 -13.642 12.297 1.00 42.20 H new ATOM 1633 N LYS A 103 -2.725 -10.891 11.674 1.00 51.03 N ATOM 1634 CA LYS A 103 -1.271 -10.834 11.760 1.00 62.31 C ATOM 1635 C LYS A 103 -0.821 -9.608 12.547 1.00 25.03 C ATOM 1636 O LYS A 103 -0.050 -9.719 13.502 1.00 73.42 O ATOM 1637 CB LYS A 103 -0.657 -10.807 10.358 1.00 21.34 C ATOM 1638 CG LYS A 103 0.270 -11.977 10.078 1.00 75.14 C ATOM 1639 CD LYS A 103 -0.480 -13.149 9.466 1.00 15.12 C ATOM 1640 CE LYS A 103 0.450 -14.316 9.177 1.00 64.22 C ATOM 1641 NZ LYS A 103 0.400 -15.345 10.251 1.00 34.43 N ATOM 0 H LYS A 103 -3.119 -10.406 10.868 1.00 51.03 H new ATOM 0 HA LYS A 103 -0.927 -11.726 12.283 1.00 62.31 H new ATOM 0 HB2 LYS A 103 -1.459 -10.804 9.619 1.00 21.34 H new ATOM 0 HB3 LYS A 103 -0.103 -9.877 10.231 1.00 21.34 H new ATOM 0 HG2 LYS A 103 1.064 -11.659 9.402 1.00 75.14 H new ATOM 0 HG3 LYS A 103 0.748 -12.294 11.005 1.00 75.14 H new ATOM 0 HD2 LYS A 103 -1.270 -13.471 10.145 1.00 15.12 H new ATOM 0 HD3 LYS A 103 -0.964 -12.831 8.543 1.00 15.12 H new ATOM 0 HE2 LYS A 103 0.176 -14.771 8.225 1.00 64.22 H new ATOM 0 HE3 LYS A 103 1.471 -13.949 9.073 1.00 64.22 H new ATOM 0 HZ1 LYS A 103 1.048 -16.124 10.016 1.00 34.43 H new ATOM 0 HZ2 LYS A 103 0.686 -14.917 11.155 1.00 34.43 H new ATOM 0 HZ3 LYS A 103 -0.569 -15.714 10.333 1.00 34.43 H new