USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 844 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 126 HIS : no HD1:sc= -2.78 X(o=-6.2,f=-6.4!) USER MOD Set 1.2: A 130 ASN : amide:sc= -3.43! K(o=-6.2!,f=-4.3) USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= -1.18 USER MOD Set 2.2: A 70 SER OG : rot 180:sc= 0.607 USER MOD Set 2.3: A 81 THR OG1 : rot -71:sc= 0.674 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -179:sc= -2.96 (180deg=-2.99) USER MOD Single : A 14 ASN : amide:sc= -0.0883 X(o=-0.088,f=-0.56) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 160:sc= -1.24 USER MOD Single : A 26 THR OG1 : rot -114:sc= 0.935 USER MOD Single : A 27 SER OG : rot -41:sc= 1.01 USER MOD Single : A 35 MET CE :methyl -137:sc= -0.993 (180deg=-1.76) USER MOD Single : A 37 ASN : amide:sc= -2.72! C(o=-2.7!,f=-7.8!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0299 K(o=-0.03,f=-1) USER MOD Single : A 46 HIS : no HD1:sc= -0.981 K(o=-0.98,f=-0.3) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc=-0.00632 X(o=-0.0063,f=0) USER MOD Single : A 51 SER OG : rot -79:sc= 0.931 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot -8:sc= -1.74 USER MOD Single : A 59 GLN : amide:sc= -0.0307 X(o=-0.031,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -79:sc= 0.77 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.57) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 102:sc= 0.523 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0861 USER MOD Single : A 97 HIS : no HD1:sc= -0.661 X(o=-0.66,f=-0.17) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.0931 K(o=-0.093,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 101 N ILE A 7 -1.830 8.238 -7.518 1.00 0.00 N ATOM 102 CA ILE A 7 -2.101 8.598 -6.137 1.00 0.00 C ATOM 103 C ILE A 7 -0.848 8.349 -5.294 1.00 0.00 C ATOM 104 O ILE A 7 -0.658 7.253 -4.768 1.00 0.00 O ATOM 105 CB ILE A 7 -3.342 7.865 -5.625 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.607 8.385 -6.311 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.440 7.951 -4.101 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.770 7.407 -6.130 1.00 0.00 C ATOM 0 HA ILE A 7 -2.332 9.660 -6.059 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.246 6.810 -5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.876 9.357 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.414 8.534 -7.373 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.331 7.422 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.556 7.496 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.503 8.996 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.657 7.800 -6.627 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.507 6.444 -6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.976 7.279 -5.067 1.00 0.00 H new ATOM 120 N LYS A 8 -0.027 9.383 -5.193 1.00 0.00 N ATOM 121 CA LYS A 8 1.202 9.290 -4.423 1.00 0.00 C ATOM 122 C LYS A 8 0.997 9.952 -3.059 1.00 0.00 C ATOM 123 O LYS A 8 0.547 11.095 -2.982 1.00 0.00 O ATOM 124 CB LYS A 8 2.376 9.867 -5.216 1.00 0.00 C ATOM 125 CG LYS A 8 3.585 10.109 -4.309 1.00 0.00 C ATOM 126 CD LYS A 8 4.712 10.807 -5.072 1.00 0.00 C ATOM 127 CE LYS A 8 5.203 12.043 -4.315 1.00 0.00 C ATOM 128 NZ LYS A 8 5.354 13.190 -5.239 1.00 0.00 N ATOM 0 H LYS A 8 -0.188 10.290 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 8 1.455 8.247 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.650 9.181 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.076 10.804 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.288 10.718 -3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.943 9.159 -3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.540 10.114 -5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.360 11.098 -6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.498 12.296 -3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.157 11.827 -3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.688 14.021 -4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.044 12.951 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.436 13.405 -5.678 1.00 0.00 H new ATOM 142 N LYS A 9 1.335 9.207 -2.018 1.00 0.00 N ATOM 143 CA LYS A 9 1.193 9.707 -0.661 1.00 0.00 C ATOM 144 C LYS A 9 2.481 9.432 0.117 1.00 0.00 C ATOM 145 O LYS A 9 3.289 8.597 -0.288 1.00 0.00 O ATOM 146 CB LYS A 9 -0.059 9.125 -0.003 1.00 0.00 C ATOM 147 CG LYS A 9 -1.250 10.073 -0.155 1.00 0.00 C ATOM 148 CD LYS A 9 -2.096 9.699 -1.374 1.00 0.00 C ATOM 149 CE LYS A 9 -3.457 9.144 -0.948 1.00 0.00 C ATOM 150 NZ LYS A 9 -4.269 10.200 -0.304 1.00 0.00 N ATOM 0 H LYS A 9 1.707 8.260 -2.086 1.00 0.00 H new ATOM 0 HA LYS A 9 1.048 10.787 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.297 8.162 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.133 8.943 1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.865 10.037 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.893 11.098 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.238 10.576 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.568 8.957 -1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.984 8.751 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.317 8.313 -0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.182 9.802 -0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.764 10.568 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.432 10.973 -0.980 1.00 0.00 H new ATOM 164 N GLU A 10 2.633 10.150 1.220 1.00 0.00 N ATOM 165 CA GLU A 10 3.810 9.994 2.058 1.00 0.00 C ATOM 166 C GLU A 10 3.447 10.214 3.528 1.00 0.00 C ATOM 167 O GLU A 10 2.701 11.136 3.856 1.00 0.00 O ATOM 168 CB GLU A 10 4.926 10.945 1.621 1.00 0.00 C ATOM 169 CG GLU A 10 6.249 10.586 2.299 1.00 0.00 C ATOM 170 CD GLU A 10 6.457 11.414 3.568 1.00 0.00 C ATOM 171 OE1 GLU A 10 6.113 12.615 3.525 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.955 10.828 4.553 1.00 0.00 O ATOM 0 H GLU A 10 1.961 10.841 1.553 1.00 0.00 H new ATOM 0 HA GLU A 10 4.181 8.975 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.044 10.900 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.653 11.971 1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.258 9.525 2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.074 10.759 1.608 1.00 0.00 H new ATOM 179 N VAL A 11 3.992 9.353 4.375 1.00 0.00 N ATOM 180 CA VAL A 11 3.735 9.442 5.802 1.00 0.00 C ATOM 181 C VAL A 11 5.046 9.241 6.566 1.00 0.00 C ATOM 182 O VAL A 11 6.007 8.696 6.024 1.00 0.00 O ATOM 183 CB VAL A 11 2.650 8.440 6.202 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.257 8.981 5.876 1.00 0.00 C ATOM 185 CG2 VAL A 11 2.883 7.084 5.533 1.00 0.00 C ATOM 0 H VAL A 11 4.611 8.590 4.100 1.00 0.00 H new ATOM 0 HA VAL A 11 3.357 10.431 6.061 1.00 0.00 H new ATOM 0 HB VAL A 11 2.708 8.295 7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.505 8.249 6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.091 9.911 6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.181 9.169 4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.098 6.390 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.865 7.205 4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.852 6.690 5.838 1.00 0.00 H new ATOM 195 N ARG A 12 5.043 9.691 7.812 1.00 0.00 N ATOM 196 CA ARG A 12 6.220 9.567 8.655 1.00 0.00 C ATOM 197 C ARG A 12 5.856 8.888 9.977 1.00 0.00 C ATOM 198 O ARG A 12 4.996 9.371 10.711 1.00 0.00 O ATOM 199 CB ARG A 12 6.836 10.937 8.946 1.00 0.00 C ATOM 200 CG ARG A 12 8.065 10.805 9.848 1.00 0.00 C ATOM 201 CD ARG A 12 8.294 12.087 10.652 1.00 0.00 C ATOM 202 NE ARG A 12 9.270 11.836 11.736 1.00 0.00 N ATOM 203 CZ ARG A 12 9.551 12.710 12.712 1.00 0.00 C ATOM 204 NH1 ARG A 12 8.930 13.897 12.746 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.451 12.397 13.653 1.00 0.00 N ATOM 0 H ARG A 12 4.244 10.142 8.258 1.00 0.00 H new ATOM 0 HA ARG A 12 6.950 8.960 8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.118 11.419 8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.096 11.578 9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.933 9.963 10.528 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.945 10.590 9.241 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.661 12.877 9.996 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.351 12.435 11.074 1.00 0.00 H new ATOM 0 HE ARG A 12 9.760 10.941 11.740 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.244 14.134 12.029 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.143 14.563 13.489 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.923 11.493 13.627 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.665 13.063 14.396 1.00 0.00 H new ATOM 219 N PHE A 13 6.531 7.778 10.240 1.00 0.00 N ATOM 220 CA PHE A 13 6.290 7.028 11.461 1.00 0.00 C ATOM 221 C PHE A 13 7.570 6.902 12.289 1.00 0.00 C ATOM 222 O PHE A 13 8.670 6.885 11.739 1.00 0.00 O ATOM 223 CB PHE A 13 5.827 5.631 11.043 1.00 0.00 C ATOM 224 CG PHE A 13 4.592 5.628 10.141 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.610 6.550 10.328 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.475 4.703 9.151 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.464 6.548 9.491 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.328 4.700 8.313 1.00 0.00 C ATOM 229 CZ PHE A 13 2.347 5.623 8.501 1.00 0.00 C ATOM 0 H PHE A 13 7.244 7.380 9.629 1.00 0.00 H new ATOM 0 HA PHE A 13 5.544 7.539 12.070 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.644 5.129 10.525 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.612 5.048 11.938 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.702 7.285 11.114 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.254 3.970 9.002 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.685 7.281 9.640 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.235 3.965 7.527 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.475 5.621 7.864 1.00 0.00 H new ATOM 239 N ASN A 14 7.384 6.818 13.598 1.00 0.00 N ATOM 240 CA ASN A 14 8.510 6.694 14.508 1.00 0.00 C ATOM 241 C ASN A 14 8.771 5.213 14.791 1.00 0.00 C ATOM 242 O ASN A 14 8.117 4.617 15.645 1.00 0.00 O ATOM 243 CB ASN A 14 8.221 7.387 15.840 1.00 0.00 C ATOM 244 CG ASN A 14 9.262 8.469 16.134 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.435 8.338 15.826 1.00 0.00 O ATOM 246 ND2 ASN A 14 8.769 9.543 16.745 1.00 0.00 N ATOM 0 H ASN A 14 6.470 6.833 14.050 1.00 0.00 H new ATOM 0 HA ASN A 14 9.375 7.162 14.039 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.226 7.832 15.814 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.220 6.651 16.644 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.384 10.321 16.984 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.776 9.588 16.975 1.00 0.00 H new ATOM 253 N ALA A 15 9.728 4.663 14.059 1.00 0.00 N ATOM 254 CA ALA A 15 10.084 3.264 14.221 1.00 0.00 C ATOM 255 C ALA A 15 11.255 2.929 13.296 1.00 0.00 C ATOM 256 O ALA A 15 11.598 3.714 12.413 1.00 0.00 O ATOM 257 CB ALA A 15 8.857 2.390 13.949 1.00 0.00 C ATOM 0 H ALA A 15 10.268 5.161 13.352 1.00 0.00 H new ATOM 0 HA ALA A 15 10.405 3.066 15.244 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.124 1.340 14.070 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.064 2.647 14.652 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.508 2.560 12.931 1.00 0.00 H new ATOM 263 N PRO A 16 11.852 1.730 13.535 1.00 0.00 N ATOM 264 CA PRO A 16 12.978 1.282 12.733 1.00 0.00 C ATOM 265 C PRO A 16 12.515 0.815 11.351 1.00 0.00 C ATOM 266 O PRO A 16 11.540 0.074 11.237 1.00 0.00 O ATOM 267 CB PRO A 16 13.625 0.174 13.548 1.00 0.00 C ATOM 268 CG PRO A 16 12.575 -0.272 14.552 1.00 0.00 C ATOM 269 CD PRO A 16 11.473 0.774 14.571 1.00 0.00 C ATOM 0 HA PRO A 16 13.693 2.079 12.530 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.930 -0.654 12.908 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.521 0.533 14.054 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.172 -1.246 14.275 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.016 -0.380 15.543 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.500 0.328 14.362 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.400 1.255 15.546 1.00 0.00 H new ATOM 277 N ILE A 17 13.237 1.267 10.337 1.00 0.00 N ATOM 278 CA ILE A 17 12.913 0.905 8.967 1.00 0.00 C ATOM 279 C ILE A 17 12.920 -0.619 8.832 1.00 0.00 C ATOM 280 O ILE A 17 12.247 -1.171 7.964 1.00 0.00 O ATOM 281 CB ILE A 17 13.852 1.613 7.989 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.443 1.340 6.540 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.310 1.232 8.255 1.00 0.00 C ATOM 284 CD1 ILE A 17 14.058 2.372 5.593 1.00 0.00 C ATOM 0 H ILE A 17 14.046 1.881 10.436 1.00 0.00 H new ATOM 0 HA ILE A 17 11.909 1.244 8.711 1.00 0.00 H new ATOM 0 HB ILE A 17 13.766 2.688 8.150 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.763 0.339 6.250 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.357 1.364 6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 17 15.956 1.749 7.546 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.582 1.520 9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.432 0.155 8.138 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.752 2.155 4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.717 3.369 5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 17 15.145 2.328 5.663 1.00 0.00 H new ATOM 296 N GLU A 18 13.688 -1.255 9.705 1.00 0.00 N ATOM 297 CA GLU A 18 13.791 -2.704 9.694 1.00 0.00 C ATOM 298 C GLU A 18 12.423 -3.336 9.961 1.00 0.00 C ATOM 299 O GLU A 18 12.032 -4.288 9.288 1.00 0.00 O ATOM 300 CB GLU A 18 14.826 -3.188 10.710 1.00 0.00 C ATOM 301 CG GLU A 18 15.706 -4.289 10.115 1.00 0.00 C ATOM 302 CD GLU A 18 15.644 -5.560 10.965 1.00 0.00 C ATOM 303 OE1 GLU A 18 14.535 -5.859 11.458 1.00 0.00 O ATOM 304 OE2 GLU A 18 16.706 -6.204 11.102 1.00 0.00 O ATOM 0 H GLU A 18 14.245 -0.793 10.424 1.00 0.00 H new ATOM 0 HA GLU A 18 14.127 -3.017 8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.449 -2.351 11.027 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.320 -3.563 11.599 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.380 -4.511 9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.737 -3.940 10.050 1.00 0.00 H new ATOM 311 N LYS A 19 11.733 -2.780 10.946 1.00 0.00 N ATOM 312 CA LYS A 19 10.417 -3.277 11.311 1.00 0.00 C ATOM 313 C LYS A 19 9.433 -2.982 10.178 1.00 0.00 C ATOM 314 O LYS A 19 8.775 -3.889 9.670 1.00 0.00 O ATOM 315 CB LYS A 19 9.986 -2.707 12.664 1.00 0.00 C ATOM 316 CG LYS A 19 8.929 -3.597 13.322 1.00 0.00 C ATOM 317 CD LYS A 19 8.293 -2.897 14.524 1.00 0.00 C ATOM 318 CE LYS A 19 7.390 -3.855 15.303 1.00 0.00 C ATOM 319 NZ LYS A 19 7.894 -4.035 16.683 1.00 0.00 N ATOM 0 H LYS A 19 12.060 -1.990 11.503 1.00 0.00 H new ATOM 0 HA LYS A 19 10.440 -4.359 11.439 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.853 -2.621 13.319 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.587 -1.702 12.529 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.158 -3.850 12.594 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.385 -4.534 13.642 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.074 -2.513 15.181 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.712 -2.040 14.184 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.373 -3.465 15.329 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.349 -4.819 14.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.270 -4.688 17.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.857 -4.428 16.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.910 -3.116 17.169 1.00 0.00 H new ATOM 333 N VAL A 20 9.362 -1.709 9.815 1.00 0.00 N ATOM 334 CA VAL A 20 8.469 -1.283 8.751 1.00 0.00 C ATOM 335 C VAL A 20 8.733 -2.126 7.501 1.00 0.00 C ATOM 336 O VAL A 20 7.811 -2.425 6.744 1.00 0.00 O ATOM 337 CB VAL A 20 8.627 0.218 8.504 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.610 0.715 7.475 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.512 1.004 9.812 1.00 0.00 C ATOM 0 H VAL A 20 9.908 -0.959 10.239 1.00 0.00 H new ATOM 0 HA VAL A 20 7.430 -1.443 9.038 1.00 0.00 H new ATOM 0 HB VAL A 20 9.624 0.387 8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.744 1.785 7.318 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.759 0.189 6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.601 0.526 7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.628 2.068 9.608 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.534 0.825 10.260 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.292 0.679 10.501 1.00 0.00 H new ATOM 349 N TRP A 21 9.996 -2.484 7.324 1.00 0.00 N ATOM 350 CA TRP A 21 10.393 -3.286 6.179 1.00 0.00 C ATOM 351 C TRP A 21 9.905 -4.717 6.412 1.00 0.00 C ATOM 352 O TRP A 21 9.209 -5.283 5.570 1.00 0.00 O ATOM 353 CB TRP A 21 11.903 -3.200 5.947 1.00 0.00 C ATOM 354 CG TRP A 21 12.378 -3.901 4.673 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.308 -4.858 4.555 1.00 0.00 C ATOM 356 CD2 TRP A 21 11.904 -3.659 3.331 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.468 -5.249 3.241 1.00 0.00 N ATOM 358 CE2 TRP A 21 12.587 -4.497 2.474 1.00 0.00 C ATOM 359 CE3 TRP A 21 10.930 -2.763 2.858 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.370 -4.521 1.091 1.00 0.00 C ATOM 361 CZ3 TRP A 21 10.725 -2.799 1.474 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.404 -3.636 0.597 1.00 0.00 C ATOM 0 H TRP A 21 10.758 -2.234 7.954 1.00 0.00 H new ATOM 0 HA TRP A 21 9.936 -2.907 5.265 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.194 -2.151 5.902 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.417 -3.637 6.803 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.863 -5.272 5.384 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.114 -5.959 2.897 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.383 -2.099 3.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.918 -5.186 0.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 9.987 -2.129 1.058 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.188 -3.604 -0.461 1.00 0.00 H new ATOM 373 N GLU A 22 10.288 -5.260 7.558 1.00 0.00 N ATOM 374 CA GLU A 22 9.897 -6.614 7.911 1.00 0.00 C ATOM 375 C GLU A 22 8.374 -6.756 7.866 1.00 0.00 C ATOM 376 O GLU A 22 7.855 -7.857 7.688 1.00 0.00 O ATOM 377 CB GLU A 22 10.443 -7.001 9.288 1.00 0.00 C ATOM 378 CG GLU A 22 11.436 -8.159 9.178 1.00 0.00 C ATOM 379 CD GLU A 22 11.925 -8.595 10.561 1.00 0.00 C ATOM 380 OE1 GLU A 22 11.064 -9.026 11.357 1.00 0.00 O ATOM 381 OE2 GLU A 22 13.150 -8.487 10.789 1.00 0.00 O ATOM 0 H GLU A 22 10.865 -4.787 8.254 1.00 0.00 H new ATOM 0 HA GLU A 22 10.328 -7.298 7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.932 -6.140 9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.619 -7.284 9.943 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.963 -9.001 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.286 -7.857 8.566 1.00 0.00 H new ATOM 388 N ALA A 23 7.702 -5.627 8.031 1.00 0.00 N ATOM 389 CA ALA A 23 6.249 -5.612 8.011 1.00 0.00 C ATOM 390 C ALA A 23 5.764 -5.532 6.562 1.00 0.00 C ATOM 391 O ALA A 23 4.810 -6.211 6.184 1.00 0.00 O ATOM 392 CB ALA A 23 5.738 -4.447 8.861 1.00 0.00 C ATOM 0 H ALA A 23 8.136 -4.716 8.179 1.00 0.00 H new ATOM 0 HA ALA A 23 5.850 -6.530 8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.648 -4.436 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.085 -4.566 9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.116 -3.508 8.456 1.00 0.00 H new ATOM 398 N VAL A 24 6.442 -4.696 5.790 1.00 0.00 N ATOM 399 CA VAL A 24 6.092 -4.518 4.390 1.00 0.00 C ATOM 400 C VAL A 24 6.795 -5.589 3.554 1.00 0.00 C ATOM 401 O VAL A 24 6.771 -5.536 2.325 1.00 0.00 O ATOM 402 CB VAL A 24 6.428 -3.094 3.944 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.900 -2.066 4.946 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.934 -2.927 3.730 1.00 0.00 C ATOM 0 H VAL A 24 7.232 -4.134 6.107 1.00 0.00 H new ATOM 0 HA VAL A 24 5.019 -4.644 4.244 1.00 0.00 H new ATOM 0 HB VAL A 24 5.932 -2.917 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.153 -1.062 4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.817 -2.160 5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.354 -2.242 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.145 -1.906 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.459 -3.134 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.272 -3.622 2.961 1.00 0.00 H new ATOM 414 N SER A 25 7.404 -6.535 4.253 1.00 0.00 N ATOM 415 CA SER A 25 8.113 -7.617 3.589 1.00 0.00 C ATOM 416 C SER A 25 7.422 -8.950 3.879 1.00 0.00 C ATOM 417 O SER A 25 7.427 -9.851 3.042 1.00 0.00 O ATOM 418 CB SER A 25 9.576 -7.670 4.032 1.00 0.00 C ATOM 419 OG SER A 25 9.724 -8.271 5.316 1.00 0.00 O ATOM 0 H SER A 25 7.422 -6.575 5.272 1.00 0.00 H new ATOM 0 HA SER A 25 8.093 -7.431 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.156 -8.232 3.300 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.984 -6.660 4.055 1.00 0.00 H new ATOM 0 HG SER A 25 10.648 -8.578 5.429 1.00 0.00 H new ATOM 425 N THR A 26 6.843 -9.034 5.068 1.00 0.00 N ATOM 426 CA THR A 26 6.149 -10.243 5.479 1.00 0.00 C ATOM 427 C THR A 26 4.697 -10.214 4.997 1.00 0.00 C ATOM 428 O THR A 26 4.185 -9.162 4.620 1.00 0.00 O ATOM 429 CB THR A 26 6.283 -10.372 6.998 1.00 0.00 C ATOM 430 OG1 THR A 26 5.826 -9.117 7.494 1.00 0.00 O ATOM 431 CG2 THR A 26 7.742 -10.444 7.453 1.00 0.00 C ATOM 0 H THR A 26 6.840 -8.285 5.760 1.00 0.00 H new ATOM 0 HA THR A 26 6.592 -11.128 5.023 1.00 0.00 H new ATOM 0 HB THR A 26 5.754 -11.263 7.335 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.570 -8.644 7.923 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.781 -10.535 8.539 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.222 -11.311 6.999 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.264 -9.538 7.146 1.00 0.00 H new ATOM 439 N SER A 27 4.075 -11.384 5.025 1.00 0.00 N ATOM 440 CA SER A 27 2.692 -11.506 4.596 1.00 0.00 C ATOM 441 C SER A 27 1.753 -11.114 5.738 1.00 0.00 C ATOM 442 O SER A 27 0.885 -10.260 5.567 1.00 0.00 O ATOM 443 CB SER A 27 2.387 -12.928 4.122 1.00 0.00 C ATOM 444 OG SER A 27 3.475 -13.495 3.397 1.00 0.00 O ATOM 0 H SER A 27 4.503 -12.255 5.338 1.00 0.00 H new ATOM 0 HA SER A 27 2.533 -10.830 3.756 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.159 -13.556 4.983 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.498 -12.917 3.491 1.00 0.00 H new ATOM 0 HG SER A 27 3.860 -12.818 2.802 1.00 0.00 H new ATOM 450 N GLU A 28 1.959 -11.757 6.878 1.00 0.00 N ATOM 451 CA GLU A 28 1.141 -11.486 8.048 1.00 0.00 C ATOM 452 C GLU A 28 1.229 -10.006 8.426 1.00 0.00 C ATOM 453 O GLU A 28 0.227 -9.395 8.794 1.00 0.00 O ATOM 454 CB GLU A 28 1.552 -12.377 9.222 1.00 0.00 C ATOM 455 CG GLU A 28 0.361 -13.186 9.740 1.00 0.00 C ATOM 456 CD GLU A 28 0.243 -13.076 11.261 1.00 0.00 C ATOM 457 OE1 GLU A 28 1.017 -13.784 11.943 1.00 0.00 O ATOM 458 OE2 GLU A 28 -0.617 -12.288 11.709 1.00 0.00 O ATOM 0 H GLU A 28 2.680 -12.465 7.016 1.00 0.00 H new ATOM 0 HA GLU A 28 0.104 -11.717 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.347 -13.054 8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.956 -11.762 10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.557 -12.828 9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.476 -14.232 9.455 1.00 0.00 H new ATOM 465 N GLY A 29 2.437 -9.472 8.321 1.00 0.00 N ATOM 466 CA GLY A 29 2.668 -8.075 8.647 1.00 0.00 C ATOM 467 C GLY A 29 1.946 -7.155 7.661 1.00 0.00 C ATOM 468 O GLY A 29 1.463 -6.089 8.041 1.00 0.00 O ATOM 0 H GLY A 29 3.266 -9.981 8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.321 -7.872 9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.738 -7.866 8.629 1.00 0.00 H new ATOM 472 N LEU A 30 1.894 -7.601 6.414 1.00 0.00 N ATOM 473 CA LEU A 30 1.238 -6.830 5.371 1.00 0.00 C ATOM 474 C LEU A 30 -0.278 -6.908 5.563 1.00 0.00 C ATOM 475 O LEU A 30 -0.953 -5.882 5.620 1.00 0.00 O ATOM 476 CB LEU A 30 1.708 -7.291 3.990 1.00 0.00 C ATOM 477 CG LEU A 30 2.657 -6.343 3.254 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.784 -7.119 2.569 1.00 0.00 C ATOM 479 CD2 LEU A 30 1.893 -5.454 2.271 1.00 0.00 C ATOM 0 H LEU A 30 2.295 -8.486 6.103 1.00 0.00 H new ATOM 0 HA LEU A 30 1.515 -5.778 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.203 -8.256 4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.830 -7.453 3.364 1.00 0.00 H new ATOM 0 HG LEU A 30 3.119 -5.684 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.444 -6.422 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.353 -7.671 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.359 -7.817 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.592 -4.790 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.384 -6.078 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.158 -4.860 2.814 1.00 0.00 H new ATOM 491 N ALA A 31 -0.769 -8.135 5.656 1.00 0.00 N ATOM 492 CA ALA A 31 -2.193 -8.360 5.840 1.00 0.00 C ATOM 493 C ALA A 31 -2.651 -7.671 7.126 1.00 0.00 C ATOM 494 O ALA A 31 -3.847 -7.469 7.334 1.00 0.00 O ATOM 495 CB ALA A 31 -2.475 -9.864 5.851 1.00 0.00 C ATOM 0 H ALA A 31 -0.206 -8.984 5.607 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.760 -7.929 5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.543 -10.033 5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.158 -10.301 4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.925 -10.331 6.668 1.00 0.00 H new ATOM 501 N PHE A 32 -1.677 -7.330 7.957 1.00 0.00 N ATOM 502 CA PHE A 32 -1.966 -6.668 9.218 1.00 0.00 C ATOM 503 C PHE A 32 -2.553 -5.275 8.983 1.00 0.00 C ATOM 504 O PHE A 32 -3.157 -4.692 9.883 1.00 0.00 O ATOM 505 CB PHE A 32 -0.638 -6.530 9.965 1.00 0.00 C ATOM 506 CG PHE A 32 -0.709 -6.932 11.439 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.599 -6.323 12.269 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.117 -7.899 11.921 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.665 -6.696 13.637 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.051 -8.272 13.290 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.838 -7.663 14.119 1.00 0.00 C ATOM 0 H PHE A 32 -0.687 -7.500 7.782 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.693 -7.248 9.786 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.113 -7.144 9.467 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.300 -5.496 9.897 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.256 -5.555 11.887 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.823 -8.383 11.263 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.372 -6.212 14.295 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.707 -9.040 13.673 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.888 -7.947 15.160 1.00 0.00 H new ATOM 521 N TRP A 33 -2.355 -4.780 7.770 1.00 0.00 N ATOM 522 CA TRP A 33 -2.858 -3.466 7.406 1.00 0.00 C ATOM 523 C TRP A 33 -3.434 -3.556 5.991 1.00 0.00 C ATOM 524 O TRP A 33 -4.556 -3.116 5.745 1.00 0.00 O ATOM 525 CB TRP A 33 -1.764 -2.405 7.541 1.00 0.00 C ATOM 526 CG TRP A 33 -0.537 -2.660 6.662 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.515 -3.447 6.924 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.278 -2.092 5.362 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.431 -3.427 5.892 1.00 0.00 N ATOM 530 CE2 TRP A 33 0.933 -2.577 4.912 1.00 0.00 C ATOM 531 CE3 TRP A 33 -1.041 -1.197 4.591 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.489 -2.224 3.676 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.472 -0.855 3.358 1.00 0.00 C ATOM 534 CH2 TRP A 33 0.746 -1.334 2.891 1.00 0.00 C ATOM 0 H TRP A 33 -1.853 -5.265 7.026 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.652 -3.154 8.085 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.183 -1.431 7.288 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.448 -2.355 8.583 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.632 -4.025 7.829 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.311 -3.941 5.855 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.991 -0.804 4.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.439 -2.617 3.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.018 -0.171 2.726 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.118 -1.021 1.927 1.00 0.00 H new ATOM 545 N PHE A 34 -2.639 -4.128 5.099 1.00 0.00 N ATOM 546 CA PHE A 34 -3.056 -4.280 3.715 1.00 0.00 C ATOM 547 C PHE A 34 -4.128 -5.364 3.582 1.00 0.00 C ATOM 548 O PHE A 34 -5.321 -5.077 3.670 1.00 0.00 O ATOM 549 CB PHE A 34 -1.820 -4.702 2.919 1.00 0.00 C ATOM 550 CG PHE A 34 -2.134 -5.262 1.530 1.00 0.00 C ATOM 551 CD1 PHE A 34 -2.924 -4.557 0.676 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.625 -6.464 1.150 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.217 -5.076 -0.613 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.917 -6.983 -0.139 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.707 -6.278 -0.993 1.00 0.00 C ATOM 0 H PHE A 34 -1.709 -4.492 5.307 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.476 -3.344 3.348 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.159 -3.842 2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.274 -5.455 3.488 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.328 -3.602 0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.999 -7.024 1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.844 -4.516 -1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.512 -7.937 -0.441 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.929 -6.673 -1.973 1.00 0.00 H new ATOM 565 N MET A 35 -3.665 -6.587 3.371 1.00 0.00 N ATOM 566 CA MET A 35 -4.569 -7.715 3.224 1.00 0.00 C ATOM 567 C MET A 35 -3.797 -9.036 3.193 1.00 0.00 C ATOM 568 O MET A 35 -2.577 -9.043 3.035 1.00 0.00 O ATOM 569 CB MET A 35 -5.371 -7.562 1.930 1.00 0.00 C ATOM 570 CG MET A 35 -6.727 -6.907 2.200 1.00 0.00 C ATOM 571 SD MET A 35 -6.854 -5.372 1.298 1.00 0.00 S ATOM 572 CE MET A 35 -6.694 -5.981 -0.373 1.00 0.00 C ATOM 0 H MET A 35 -2.675 -6.822 3.298 1.00 0.00 H new ATOM 0 HA MET A 35 -5.243 -7.730 4.080 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.807 -6.959 1.218 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.520 -8.540 1.472 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.531 -7.580 1.903 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.844 -6.722 3.268 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.032 -5.324 -0.938 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.277 -6.988 -0.355 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.675 -6.003 -0.848 1.00 0.00 H new ATOM 582 N GLU A 36 -4.540 -10.122 3.347 1.00 0.00 N ATOM 583 CA GLU A 36 -3.940 -11.446 3.339 1.00 0.00 C ATOM 584 C GLU A 36 -3.227 -11.697 2.009 1.00 0.00 C ATOM 585 O GLU A 36 -3.752 -11.368 0.947 1.00 0.00 O ATOM 586 CB GLU A 36 -4.991 -12.525 3.610 1.00 0.00 C ATOM 587 CG GLU A 36 -5.305 -12.621 5.104 1.00 0.00 C ATOM 588 CD GLU A 36 -5.063 -14.038 5.626 1.00 0.00 C ATOM 589 OE1 GLU A 36 -3.959 -14.560 5.358 1.00 0.00 O ATOM 590 OE2 GLU A 36 -5.986 -14.568 6.281 1.00 0.00 O ATOM 0 H GLU A 36 -5.552 -10.113 3.478 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.202 -11.495 4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.902 -12.297 3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.631 -13.488 3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.684 -11.916 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.343 -12.337 5.280 1.00 0.00 H new ATOM 597 N ASN A 37 -2.040 -12.279 2.111 1.00 0.00 N ATOM 598 CA ASN A 37 -1.249 -12.578 0.930 1.00 0.00 C ATOM 599 C ASN A 37 -0.162 -13.591 1.293 1.00 0.00 C ATOM 600 O ASN A 37 -0.108 -14.070 2.424 1.00 0.00 O ATOM 601 CB ASN A 37 -0.563 -11.320 0.393 1.00 0.00 C ATOM 602 CG ASN A 37 0.392 -10.730 1.433 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.590 -10.629 1.227 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.204 -10.348 2.559 1.00 0.00 N ATOM 0 H ASN A 37 -1.608 -12.551 2.994 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.919 -12.976 0.168 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.012 -11.562 -0.516 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.315 -10.579 0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.347 -9.942 3.315 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.212 -10.461 2.666 1.00 0.00 H new ATOM 611 N ASP A 38 0.677 -13.888 0.311 1.00 0.00 N ATOM 612 CA ASP A 38 1.759 -14.836 0.513 1.00 0.00 C ATOM 613 C ASP A 38 3.071 -14.216 0.026 1.00 0.00 C ATOM 614 O ASP A 38 3.944 -14.920 -0.480 1.00 0.00 O ATOM 615 CB ASP A 38 1.521 -16.122 -0.282 1.00 0.00 C ATOM 616 CG ASP A 38 2.013 -17.402 0.397 1.00 0.00 C ATOM 617 OD1 ASP A 38 3.243 -17.624 0.365 1.00 0.00 O ATOM 618 OD2 ASP A 38 1.149 -18.129 0.933 1.00 0.00 O ATOM 0 H ASP A 38 0.629 -13.489 -0.626 1.00 0.00 H new ATOM 0 HA ASP A 38 1.806 -15.073 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.453 -16.219 -0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.014 -16.030 -1.250 1.00 0.00 H new ATOM 623 N LEU A 39 3.168 -12.906 0.196 1.00 0.00 N ATOM 624 CA LEU A 39 4.359 -12.184 -0.219 1.00 0.00 C ATOM 625 C LEU A 39 5.527 -12.569 0.690 1.00 0.00 C ATOM 626 O LEU A 39 5.326 -12.902 1.857 1.00 0.00 O ATOM 627 CB LEU A 39 4.084 -10.679 -0.263 1.00 0.00 C ATOM 628 CG LEU A 39 5.257 -9.796 -0.696 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.875 -8.926 -1.894 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.776 -8.961 0.477 1.00 0.00 C ATOM 0 H LEU A 39 2.442 -12.326 0.615 1.00 0.00 H new ATOM 0 HA LEU A 39 4.640 -12.464 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.251 -10.502 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.761 -10.360 0.728 1.00 0.00 H new ATOM 0 HG LEU A 39 6.073 -10.444 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.726 -8.309 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.590 -9.564 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.036 -8.285 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.609 -8.343 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.976 -8.321 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.113 -9.624 1.274 1.00 0.00 H new ATOM 642 N LYS A 40 6.722 -12.511 0.121 1.00 0.00 N ATOM 643 CA LYS A 40 7.923 -12.850 0.866 1.00 0.00 C ATOM 644 C LYS A 40 9.085 -11.987 0.372 1.00 0.00 C ATOM 645 O LYS A 40 10.237 -12.416 0.399 1.00 0.00 O ATOM 646 CB LYS A 40 8.196 -14.353 0.787 1.00 0.00 C ATOM 647 CG LYS A 40 7.338 -15.121 1.794 1.00 0.00 C ATOM 648 CD LYS A 40 8.153 -16.214 2.488 1.00 0.00 C ATOM 649 CE LYS A 40 9.213 -15.606 3.409 1.00 0.00 C ATOM 650 NZ LYS A 40 9.728 -16.625 4.350 1.00 0.00 N ATOM 0 H LYS A 40 6.885 -12.234 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 40 7.789 -12.629 1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.988 -14.711 -0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.251 -14.545 0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.940 -14.431 2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.484 -15.567 1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.489 -16.856 3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.634 -16.844 1.740 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.033 -15.205 2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.785 -14.772 3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.446 -16.196 4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.945 -16.989 4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.155 -17.408 3.815 1.00 0.00 H new ATOM 664 N ALA A 41 8.742 -10.784 -0.067 1.00 0.00 N ATOM 665 CA ALA A 41 9.743 -9.857 -0.567 1.00 0.00 C ATOM 666 C ALA A 41 10.713 -10.605 -1.483 1.00 0.00 C ATOM 667 O ALA A 41 11.889 -10.758 -1.156 1.00 0.00 O ATOM 668 CB ALA A 41 10.453 -9.188 0.612 1.00 0.00 C ATOM 0 H ALA A 41 7.785 -10.431 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 41 9.275 -9.068 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.204 -8.493 0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.725 -8.646 1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.937 -9.949 1.225 1.00 0.00 H new ATOM 674 N GLU A 42 10.185 -11.051 -2.614 1.00 0.00 N ATOM 675 CA GLU A 42 10.990 -11.779 -3.580 1.00 0.00 C ATOM 676 C GLU A 42 10.472 -11.529 -4.998 1.00 0.00 C ATOM 677 O GLU A 42 9.388 -11.987 -5.357 1.00 0.00 O ATOM 678 CB GLU A 42 11.011 -13.275 -3.260 1.00 0.00 C ATOM 679 CG GLU A 42 12.435 -13.829 -3.325 1.00 0.00 C ATOM 680 CD GLU A 42 12.504 -15.235 -2.724 1.00 0.00 C ATOM 681 OE1 GLU A 42 11.668 -16.069 -3.134 1.00 0.00 O ATOM 682 OE2 GLU A 42 13.391 -15.443 -1.869 1.00 0.00 O ATOM 0 H GLU A 42 9.210 -10.922 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 42 12.015 -11.413 -3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.596 -13.444 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.376 -13.811 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.772 -13.856 -4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.112 -13.166 -2.787 1.00 0.00 H new ATOM 689 N THR A 43 11.271 -10.802 -5.766 1.00 0.00 N ATOM 690 CA THR A 43 10.907 -10.486 -7.136 1.00 0.00 C ATOM 691 C THR A 43 10.488 -11.754 -7.883 1.00 0.00 C ATOM 692 O THR A 43 11.113 -12.803 -7.733 1.00 0.00 O ATOM 693 CB THR A 43 12.089 -9.762 -7.784 1.00 0.00 C ATOM 694 OG1 THR A 43 11.485 -8.906 -8.750 1.00 0.00 O ATOM 695 CG2 THR A 43 12.966 -10.701 -8.615 1.00 0.00 C ATOM 0 H THR A 43 12.169 -10.423 -5.465 1.00 0.00 H new ATOM 0 HA THR A 43 10.042 -9.824 -7.173 1.00 0.00 H new ATOM 0 HB THR A 43 12.694 -9.290 -7.010 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.181 -8.397 -9.216 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.790 -10.137 -9.053 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.365 -11.488 -7.975 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.369 -11.148 -9.410 1.00 0.00 H new ATOM 703 N GLY A 44 9.432 -11.616 -8.672 1.00 0.00 N ATOM 704 CA GLY A 44 8.922 -12.737 -9.442 1.00 0.00 C ATOM 705 C GLY A 44 8.402 -13.843 -8.522 1.00 0.00 C ATOM 706 O GLY A 44 8.650 -15.024 -8.763 1.00 0.00 O ATOM 0 H GLY A 44 8.916 -10.745 -8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.120 -12.398 -10.098 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.711 -13.132 -10.082 1.00 0.00 H new ATOM 710 N HIS A 45 7.690 -13.422 -7.487 1.00 0.00 N ATOM 711 CA HIS A 45 7.134 -14.362 -6.529 1.00 0.00 C ATOM 712 C HIS A 45 5.606 -14.303 -6.580 1.00 0.00 C ATOM 713 O HIS A 45 4.969 -13.802 -5.654 1.00 0.00 O ATOM 714 CB HIS A 45 7.690 -14.104 -5.127 1.00 0.00 C ATOM 715 CG HIS A 45 7.078 -14.972 -4.054 1.00 0.00 C ATOM 716 ND1 HIS A 45 6.949 -16.344 -4.181 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.561 -14.648 -2.834 1.00 0.00 C ATOM 718 CE1 HIS A 45 6.378 -16.814 -3.082 1.00 0.00 C ATOM 719 NE2 HIS A 45 6.138 -15.762 -2.248 1.00 0.00 N ATOM 0 H HIS A 45 7.485 -12.442 -7.291 1.00 0.00 H new ATOM 0 HA HIS A 45 7.434 -15.376 -6.794 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.768 -14.265 -5.139 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.527 -13.057 -4.870 1.00 0.00 H new ATOM 0 HD2 HIS A 45 6.505 -13.654 -2.416 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.144 -17.849 -2.882 1.00 0.00 H new ATOM 0 HE2 HIS A 45 5.705 -15.821 -1.326 1.00 0.00 H new ATOM 727 N HIS A 46 5.061 -14.821 -7.672 1.00 0.00 N ATOM 728 CA HIS A 46 3.620 -14.833 -7.856 1.00 0.00 C ATOM 729 C HIS A 46 2.947 -15.384 -6.597 1.00 0.00 C ATOM 730 O HIS A 46 3.059 -16.572 -6.299 1.00 0.00 O ATOM 731 CB HIS A 46 3.240 -15.607 -9.119 1.00 0.00 C ATOM 732 CG HIS A 46 3.846 -16.988 -9.199 1.00 0.00 C ATOM 733 ND1 HIS A 46 4.936 -17.283 -9.999 1.00 0.00 N ATOM 734 CD2 HIS A 46 3.505 -18.149 -8.570 1.00 0.00 C ATOM 735 CE1 HIS A 46 5.228 -18.567 -9.852 1.00 0.00 C ATOM 736 NE2 HIS A 46 4.339 -19.102 -8.966 1.00 0.00 N ATOM 0 H HIS A 46 5.592 -15.235 -8.438 1.00 0.00 H new ATOM 0 HA HIS A 46 3.260 -13.815 -8.003 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.155 -15.694 -9.166 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.552 -15.033 -9.992 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.693 -18.272 -7.868 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.029 -19.097 -10.346 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.319 -20.074 -8.659 1.00 0.00 H new ATOM 744 N PHE A 47 2.262 -14.495 -5.893 1.00 0.00 N ATOM 745 CA PHE A 47 1.570 -14.877 -4.674 1.00 0.00 C ATOM 746 C PHE A 47 0.071 -14.591 -4.781 1.00 0.00 C ATOM 747 O PHE A 47 -0.338 -13.653 -5.464 1.00 0.00 O ATOM 748 CB PHE A 47 2.159 -14.033 -3.542 1.00 0.00 C ATOM 749 CG PHE A 47 1.875 -12.535 -3.670 1.00 0.00 C ATOM 750 CD1 PHE A 47 2.666 -11.759 -4.459 1.00 0.00 C ATOM 751 CD2 PHE A 47 0.833 -11.980 -2.996 1.00 0.00 C ATOM 752 CE1 PHE A 47 2.402 -10.368 -4.578 1.00 0.00 C ATOM 753 CE2 PHE A 47 0.570 -10.590 -3.115 1.00 0.00 C ATOM 754 CZ PHE A 47 1.360 -9.813 -3.903 1.00 0.00 C ATOM 0 H PHE A 47 2.171 -13.510 -6.144 1.00 0.00 H new ATOM 0 HA PHE A 47 1.696 -15.945 -4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.760 -14.388 -2.592 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.238 -14.187 -3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.494 -12.200 -4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.205 -12.597 -2.370 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.029 -9.751 -5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.258 -10.150 -2.579 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.160 -8.755 -3.993 1.00 0.00 H new ATOM 764 N HIS A 48 -0.707 -15.416 -4.096 1.00 0.00 N ATOM 765 CA HIS A 48 -2.152 -15.263 -4.106 1.00 0.00 C ATOM 766 C HIS A 48 -2.558 -14.160 -3.126 1.00 0.00 C ATOM 767 O HIS A 48 -1.832 -13.871 -2.176 1.00 0.00 O ATOM 768 CB HIS A 48 -2.842 -16.597 -3.816 1.00 0.00 C ATOM 769 CG HIS A 48 -2.800 -17.573 -4.967 1.00 0.00 C ATOM 770 ND1 HIS A 48 -1.717 -18.400 -5.210 1.00 0.00 N ATOM 771 CD2 HIS A 48 -3.718 -17.846 -5.938 1.00 0.00 C ATOM 772 CE1 HIS A 48 -1.982 -19.132 -6.282 1.00 0.00 C ATOM 773 NE2 HIS A 48 -3.223 -18.787 -6.732 1.00 0.00 N ATOM 0 H HIS A 48 -0.364 -16.193 -3.530 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.482 -14.958 -5.099 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.372 -17.056 -2.946 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.882 -16.406 -3.552 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.685 -17.376 -6.043 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.330 -19.872 -6.722 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.693 -19.186 -7.545 1.00 0.00 H new ATOM 781 N LEU A 49 -3.717 -13.575 -3.390 1.00 0.00 N ATOM 782 CA LEU A 49 -4.228 -12.511 -2.543 1.00 0.00 C ATOM 783 C LEU A 49 -5.675 -12.823 -2.156 1.00 0.00 C ATOM 784 O LEU A 49 -6.518 -13.047 -3.023 1.00 0.00 O ATOM 785 CB LEU A 49 -4.053 -11.152 -3.225 1.00 0.00 C ATOM 786 CG LEU A 49 -4.502 -9.933 -2.416 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.357 -9.394 -1.556 1.00 0.00 C ATOM 788 CD2 LEU A 49 -5.089 -8.855 -3.330 1.00 0.00 C ATOM 0 H LEU A 49 -4.317 -13.818 -4.179 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.656 -12.453 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.000 -11.028 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.607 -11.165 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.295 -10.246 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.703 -8.528 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.025 -10.169 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.527 -9.101 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.400 -8.000 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.334 -8.538 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.951 -9.258 -3.862 1.00 0.00 H new ATOM 800 N GLN A 50 -5.917 -12.828 -0.853 1.00 0.00 N ATOM 801 CA GLN A 50 -7.248 -13.109 -0.341 1.00 0.00 C ATOM 802 C GLN A 50 -7.954 -11.808 0.045 1.00 0.00 C ATOM 803 O GLN A 50 -7.988 -11.441 1.219 1.00 0.00 O ATOM 804 CB GLN A 50 -7.186 -14.073 0.846 1.00 0.00 C ATOM 805 CG GLN A 50 -6.812 -15.484 0.388 1.00 0.00 C ATOM 806 CD GLN A 50 -7.929 -16.479 0.708 1.00 0.00 C ATOM 807 OE1 GLN A 50 -7.998 -17.049 1.784 1.00 0.00 O ATOM 808 NE2 GLN A 50 -8.798 -16.654 -0.284 1.00 0.00 N ATOM 0 H GLN A 50 -5.215 -12.642 -0.137 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.825 -13.592 -1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.454 -13.716 1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.151 -14.095 1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.618 -15.482 -0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.890 -15.797 0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.681 -16.145 -1.160 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.581 -17.298 -0.169 1.00 0.00 H new ATOM 817 N SER A 51 -8.500 -11.146 -0.964 1.00 0.00 N ATOM 818 CA SER A 51 -9.203 -9.894 -0.745 1.00 0.00 C ATOM 819 C SER A 51 -10.684 -10.166 -0.474 1.00 0.00 C ATOM 820 O SER A 51 -11.157 -11.286 -0.659 1.00 0.00 O ATOM 821 CB SER A 51 -9.046 -8.957 -1.944 1.00 0.00 C ATOM 822 OG SER A 51 -10.251 -8.847 -2.697 1.00 0.00 O ATOM 0 H SER A 51 -8.470 -11.453 -1.936 1.00 0.00 H new ATOM 0 HA SER A 51 -8.765 -9.404 0.124 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.745 -7.969 -1.595 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.248 -9.324 -2.589 1.00 0.00 H new ATOM 0 HG SER A 51 -10.346 -9.630 -3.278 1.00 0.00 H new ATOM 828 N PRO A 52 -11.393 -9.094 -0.028 1.00 0.00 N ATOM 829 CA PRO A 52 -12.810 -9.206 0.270 1.00 0.00 C ATOM 830 C PRO A 52 -13.639 -9.263 -1.015 1.00 0.00 C ATOM 831 O PRO A 52 -14.787 -9.702 -0.999 1.00 0.00 O ATOM 832 CB PRO A 52 -13.129 -7.993 1.128 1.00 0.00 C ATOM 833 CG PRO A 52 -11.996 -7.007 0.894 1.00 0.00 C ATOM 834 CD PRO A 52 -10.866 -7.752 0.202 1.00 0.00 C ATOM 0 HA PRO A 52 -13.056 -10.127 0.798 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.089 -7.558 0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.197 -8.267 2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.336 -6.173 0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.654 -6.587 1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.589 -7.269 -0.735 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.971 -7.779 0.823 1.00 0.00 H new ATOM 842 N PHE A 53 -13.023 -8.813 -2.098 1.00 0.00 N ATOM 843 CA PHE A 53 -13.688 -8.808 -3.390 1.00 0.00 C ATOM 844 C PHE A 53 -13.158 -9.930 -4.285 1.00 0.00 C ATOM 845 O PHE A 53 -12.724 -9.680 -5.409 1.00 0.00 O ATOM 846 CB PHE A 53 -13.381 -7.460 -4.046 1.00 0.00 C ATOM 847 CG PHE A 53 -14.545 -6.881 -4.853 1.00 0.00 C ATOM 848 CD1 PHE A 53 -14.942 -7.487 -6.004 1.00 0.00 C ATOM 849 CD2 PHE A 53 -15.183 -5.762 -4.419 1.00 0.00 C ATOM 850 CE1 PHE A 53 -16.022 -6.950 -6.754 1.00 0.00 C ATOM 851 CE2 PHE A 53 -16.264 -5.224 -5.168 1.00 0.00 C ATOM 852 CZ PHE A 53 -16.660 -5.830 -6.319 1.00 0.00 C ATOM 0 H PHE A 53 -12.070 -8.449 -2.107 1.00 0.00 H new ATOM 0 HA PHE A 53 -14.759 -8.962 -3.257 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -13.099 -6.747 -3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.519 -7.575 -4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -14.436 -8.377 -6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -14.868 -5.282 -3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -16.336 -7.430 -7.669 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -16.771 -4.335 -4.823 1.00 0.00 H new ATOM 0 HZ PHE A 53 -17.482 -5.422 -6.888 1.00 0.00 H new ATOM 862 N GLY A 54 -13.210 -11.142 -3.754 1.00 0.00 N ATOM 863 CA GLY A 54 -12.740 -12.303 -4.490 1.00 0.00 C ATOM 864 C GLY A 54 -11.212 -12.364 -4.500 1.00 0.00 C ATOM 865 O GLY A 54 -10.545 -11.332 -4.459 1.00 0.00 O ATOM 0 H GLY A 54 -13.571 -11.346 -2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.141 -13.211 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.113 -12.264 -5.514 1.00 0.00 H new ATOM 869 N PRO A 55 -10.687 -13.618 -4.557 1.00 0.00 N ATOM 870 CA PRO A 55 -9.249 -13.828 -4.573 1.00 0.00 C ATOM 871 C PRO A 55 -8.660 -13.482 -5.942 1.00 0.00 C ATOM 872 O PRO A 55 -9.231 -13.830 -6.974 1.00 0.00 O ATOM 873 CB PRO A 55 -9.061 -15.288 -4.197 1.00 0.00 C ATOM 874 CG PRO A 55 -10.404 -15.958 -4.438 1.00 0.00 C ATOM 875 CD PRO A 55 -11.446 -14.864 -4.607 1.00 0.00 C ATOM 0 HA PRO A 55 -8.721 -13.179 -3.874 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.280 -15.749 -4.802 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.757 -15.387 -3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.363 -16.587 -5.327 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.663 -16.606 -3.601 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.977 -14.966 -5.553 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.194 -14.904 -3.815 1.00 0.00 H new ATOM 883 N SER A 56 -7.524 -12.800 -5.906 1.00 0.00 N ATOM 884 CA SER A 56 -6.851 -12.403 -7.131 1.00 0.00 C ATOM 885 C SER A 56 -5.355 -12.707 -7.028 1.00 0.00 C ATOM 886 O SER A 56 -4.774 -12.622 -5.948 1.00 0.00 O ATOM 887 CB SER A 56 -7.072 -10.918 -7.424 1.00 0.00 C ATOM 888 OG SER A 56 -8.046 -10.714 -8.444 1.00 0.00 O ATOM 0 H SER A 56 -7.053 -12.513 -5.048 1.00 0.00 H new ATOM 0 HA SER A 56 -7.276 -12.975 -7.956 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.390 -10.412 -6.512 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.129 -10.464 -7.728 1.00 0.00 H new ATOM 0 HG SER A 56 -8.160 -9.753 -8.600 1.00 0.00 H new ATOM 894 N PRO A 57 -4.759 -13.064 -8.197 1.00 0.00 N ATOM 895 CA PRO A 57 -3.342 -13.381 -8.249 1.00 0.00 C ATOM 896 C PRO A 57 -2.493 -12.112 -8.164 1.00 0.00 C ATOM 897 O PRO A 57 -2.915 -11.047 -8.614 1.00 0.00 O ATOM 898 CB PRO A 57 -3.155 -14.135 -9.556 1.00 0.00 C ATOM 899 CG PRO A 57 -4.374 -13.809 -10.403 1.00 0.00 C ATOM 900 CD PRO A 57 -5.417 -13.176 -9.496 1.00 0.00 C ATOM 0 HA PRO A 57 -3.015 -13.988 -7.405 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.237 -13.827 -10.057 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.077 -15.208 -9.380 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.106 -13.128 -11.210 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.769 -14.713 -10.867 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.726 -12.200 -9.869 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.314 -13.792 -9.434 1.00 0.00 H new ATOM 908 N CYS A 58 -1.312 -12.266 -7.584 1.00 0.00 N ATOM 909 CA CYS A 58 -0.399 -11.145 -7.435 1.00 0.00 C ATOM 910 C CYS A 58 1.015 -11.631 -7.757 1.00 0.00 C ATOM 911 O CYS A 58 1.311 -12.818 -7.632 1.00 0.00 O ATOM 912 CB CYS A 58 -0.487 -10.527 -6.038 1.00 0.00 C ATOM 913 SG CYS A 58 -2.189 -9.936 -5.720 1.00 0.00 S ATOM 0 H CYS A 58 -0.966 -13.150 -7.211 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.675 -10.352 -8.130 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.203 -11.264 -5.287 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.216 -9.698 -5.953 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.890 -10.024 -6.811 1.00 0.00 H new ATOM 919 N GLN A 59 1.852 -10.688 -8.165 1.00 0.00 N ATOM 920 CA GLN A 59 3.228 -11.005 -8.505 1.00 0.00 C ATOM 921 C GLN A 59 4.127 -9.788 -8.272 1.00 0.00 C ATOM 922 O GLN A 59 3.819 -8.688 -8.728 1.00 0.00 O ATOM 923 CB GLN A 59 3.336 -11.496 -9.950 1.00 0.00 C ATOM 924 CG GLN A 59 4.799 -11.691 -10.355 1.00 0.00 C ATOM 925 CD GLN A 59 4.937 -12.813 -11.387 1.00 0.00 C ATOM 926 OE1 GLN A 59 4.291 -12.823 -12.422 1.00 0.00 O ATOM 927 NE2 GLN A 59 5.813 -13.754 -11.048 1.00 0.00 N ATOM 0 H GLN A 59 1.603 -9.704 -8.268 1.00 0.00 H new ATOM 0 HA GLN A 59 3.565 -11.812 -7.854 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.796 -12.437 -10.060 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.863 -10.777 -10.619 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.193 -10.762 -10.767 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.396 -11.927 -9.474 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.321 -13.684 -10.166 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.978 -14.546 -11.670 1.00 0.00 H new ATOM 936 N VAL A 60 5.219 -10.027 -7.561 1.00 0.00 N ATOM 937 CA VAL A 60 6.164 -8.965 -7.261 1.00 0.00 C ATOM 938 C VAL A 60 6.943 -8.608 -8.529 1.00 0.00 C ATOM 939 O VAL A 60 7.407 -9.493 -9.246 1.00 0.00 O ATOM 940 CB VAL A 60 7.069 -9.382 -6.101 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.955 -8.219 -5.650 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.247 -9.930 -4.933 1.00 0.00 C ATOM 0 H VAL A 60 5.470 -10.941 -7.184 1.00 0.00 H new ATOM 0 HA VAL A 60 5.639 -8.066 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 60 7.720 -10.181 -6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.588 -8.543 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.581 -7.895 -6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.328 -7.390 -5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.915 -10.219 -4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.559 -9.162 -4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.680 -10.800 -5.264 1.00 0.00 H new ATOM 952 N THR A 61 7.061 -7.310 -8.766 1.00 0.00 N ATOM 953 CA THR A 61 7.776 -6.826 -9.935 1.00 0.00 C ATOM 954 C THR A 61 9.195 -6.401 -9.554 1.00 0.00 C ATOM 955 O THR A 61 10.126 -6.556 -10.343 1.00 0.00 O ATOM 956 CB THR A 61 6.951 -5.698 -10.560 1.00 0.00 C ATOM 957 OG1 THR A 61 6.915 -4.694 -9.550 1.00 0.00 O ATOM 958 CG2 THR A 61 5.483 -6.085 -10.753 1.00 0.00 C ATOM 0 H THR A 61 6.674 -6.579 -8.169 1.00 0.00 H new ATOM 0 HA THR A 61 7.895 -7.613 -10.680 1.00 0.00 H new ATOM 0 HB THR A 61 7.383 -5.422 -11.522 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.401 -3.924 -9.872 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.942 -5.250 -11.199 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.419 -6.952 -11.410 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.041 -6.329 -9.787 1.00 0.00 H new ATOM 966 N ASP A 62 9.316 -5.873 -8.345 1.00 0.00 N ATOM 967 CA ASP A 62 10.606 -5.424 -7.850 1.00 0.00 C ATOM 968 C ASP A 62 10.577 -5.389 -6.320 1.00 0.00 C ATOM 969 O ASP A 62 9.613 -4.909 -5.726 1.00 0.00 O ATOM 970 CB ASP A 62 10.928 -4.014 -8.349 1.00 0.00 C ATOM 971 CG ASP A 62 12.156 -3.914 -9.256 1.00 0.00 C ATOM 972 OD1 ASP A 62 13.030 -4.799 -9.128 1.00 0.00 O ATOM 973 OD2 ASP A 62 12.194 -2.954 -10.056 1.00 0.00 O ATOM 0 H ASP A 62 8.542 -5.746 -7.693 1.00 0.00 H new ATOM 0 HA ASP A 62 11.365 -6.117 -8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.063 -3.630 -8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.078 -3.365 -7.486 1.00 0.00 H new ATOM 978 N VAL A 63 11.644 -5.904 -5.728 1.00 0.00 N ATOM 979 CA VAL A 63 11.752 -5.938 -4.279 1.00 0.00 C ATOM 980 C VAL A 63 13.211 -6.182 -3.886 1.00 0.00 C ATOM 981 O VAL A 63 13.742 -7.270 -4.103 1.00 0.00 O ATOM 982 CB VAL A 63 10.796 -6.986 -3.707 1.00 0.00 C ATOM 983 CG1 VAL A 63 11.016 -8.348 -4.369 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.937 -7.086 -2.187 1.00 0.00 C ATOM 0 H VAL A 63 12.441 -6.301 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 63 11.456 -4.980 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 63 9.778 -6.666 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.324 -9.075 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.841 -8.264 -5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.040 -8.677 -4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.246 -7.838 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.958 -7.370 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.707 -6.121 -1.736 1.00 0.00 H new ATOM 994 N GLU A 64 13.817 -5.151 -3.316 1.00 0.00 N ATOM 995 CA GLU A 64 15.204 -5.239 -2.891 1.00 0.00 C ATOM 996 C GLU A 64 15.479 -4.240 -1.766 1.00 0.00 C ATOM 997 O GLU A 64 15.588 -3.039 -2.011 1.00 0.00 O ATOM 998 CB GLU A 64 16.153 -5.015 -4.069 1.00 0.00 C ATOM 999 CG GLU A 64 17.607 -5.247 -3.653 1.00 0.00 C ATOM 1000 CD GLU A 64 18.184 -6.484 -4.345 1.00 0.00 C ATOM 1001 OE1 GLU A 64 18.434 -6.387 -5.566 1.00 0.00 O ATOM 1002 OE2 GLU A 64 18.363 -7.498 -3.637 1.00 0.00 O ATOM 0 H GLU A 64 13.373 -4.250 -3.138 1.00 0.00 H new ATOM 0 HA GLU A 64 15.384 -6.244 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.892 -5.690 -4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.037 -3.999 -4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.206 -4.372 -3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.664 -5.371 -2.572 1.00 0.00 H new ATOM 1009 N ARG A 65 15.584 -4.772 -0.557 1.00 0.00 N ATOM 1010 CA ARG A 65 15.845 -3.941 0.606 1.00 0.00 C ATOM 1011 C ARG A 65 14.755 -2.878 0.754 1.00 0.00 C ATOM 1012 O ARG A 65 13.946 -2.682 -0.152 1.00 0.00 O ATOM 1013 CB ARG A 65 17.207 -3.254 0.498 1.00 0.00 C ATOM 1014 CG ARG A 65 18.242 -3.942 1.390 1.00 0.00 C ATOM 1015 CD ARG A 65 19.182 -4.820 0.562 1.00 0.00 C ATOM 1016 NE ARG A 65 20.521 -4.195 0.485 1.00 0.00 N ATOM 1017 CZ ARG A 65 21.411 -4.198 1.487 1.00 0.00 C ATOM 1018 NH1 ARG A 65 21.110 -4.794 2.648 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.602 -3.606 1.327 1.00 0.00 N ATOM 0 H ARG A 65 15.493 -5.768 -0.358 1.00 0.00 H new ATOM 0 HA ARG A 65 15.847 -4.589 1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.546 -3.272 -0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.113 -2.207 0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.820 -3.191 1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.735 -4.551 2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.259 -5.810 1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.777 -4.956 -0.441 1.00 0.00 H new ATOM 0 HE ARG A 65 20.783 -3.733 -0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.204 -5.246 2.769 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.787 -4.796 3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.832 -3.153 0.442 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.279 -3.608 2.090 1.00 0.00 H new ATOM 1033 N PRO A 66 14.768 -2.202 1.934 1.00 0.00 N ATOM 1034 CA PRO A 66 13.791 -1.163 2.212 1.00 0.00 C ATOM 1035 C PRO A 66 14.113 0.115 1.436 1.00 0.00 C ATOM 1036 O PRO A 66 14.505 1.121 2.025 1.00 0.00 O ATOM 1037 CB PRO A 66 13.839 -0.971 3.719 1.00 0.00 C ATOM 1038 CG PRO A 66 15.160 -1.570 4.174 1.00 0.00 C ATOM 1039 CD PRO A 66 15.711 -2.407 3.030 1.00 0.00 C ATOM 0 HA PRO A 66 12.786 -1.434 1.890 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.779 0.086 3.980 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.998 -1.467 4.203 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.863 -0.782 4.444 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.014 -2.185 5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.716 -2.087 2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.776 -3.460 3.305 1.00 0.00 H new ATOM 1047 N ILE A 67 13.934 0.034 0.125 1.00 0.00 N ATOM 1048 CA ILE A 67 14.201 1.172 -0.738 1.00 0.00 C ATOM 1049 C ILE A 67 13.170 1.202 -1.868 1.00 0.00 C ATOM 1050 O ILE A 67 12.592 2.248 -2.158 1.00 0.00 O ATOM 1051 CB ILE A 67 15.650 1.146 -1.227 1.00 0.00 C ATOM 1052 CG1 ILE A 67 16.025 -0.241 -1.756 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.608 1.620 -0.132 1.00 0.00 C ATOM 1054 CD1 ILE A 67 15.678 -0.374 -3.240 1.00 0.00 C ATOM 0 H ILE A 67 13.607 -0.802 -0.360 1.00 0.00 H new ATOM 0 HA ILE A 67 14.094 2.104 -0.183 1.00 0.00 H new ATOM 0 HB ILE A 67 15.742 1.844 -2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 67 17.092 -0.413 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.498 -1.006 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.631 1.592 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.355 2.640 0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.521 0.966 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 67 15.955 -1.368 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 67 14.607 -0.225 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.225 0.377 -3.810 1.00 0.00 H new ATOM 1066 N LYS A 68 12.972 0.041 -2.475 1.00 0.00 N ATOM 1067 CA LYS A 68 12.021 -0.079 -3.568 1.00 0.00 C ATOM 1068 C LYS A 68 11.216 -1.368 -3.397 1.00 0.00 C ATOM 1069 O LYS A 68 11.783 -2.429 -3.139 1.00 0.00 O ATOM 1070 CB LYS A 68 12.737 0.026 -4.915 1.00 0.00 C ATOM 1071 CG LYS A 68 11.801 -0.351 -6.065 1.00 0.00 C ATOM 1072 CD LYS A 68 11.839 0.705 -7.172 1.00 0.00 C ATOM 1073 CE LYS A 68 10.521 0.733 -7.949 1.00 0.00 C ATOM 1074 NZ LYS A 68 10.670 1.520 -9.193 1.00 0.00 N ATOM 0 H LYS A 68 13.453 -0.825 -2.231 1.00 0.00 H new ATOM 0 HA LYS A 68 11.310 0.747 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.103 1.043 -5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.608 -0.630 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.091 -1.320 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.782 -0.454 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.030 1.686 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.663 0.493 -7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.212 -0.284 -8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.736 1.166 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.767 1.529 -9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.943 2.495 -8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.405 1.090 -9.790 1.00 0.00 H new ATOM 1088 N LEU A 69 9.906 -1.235 -3.549 1.00 0.00 N ATOM 1089 CA LEU A 69 9.017 -2.377 -3.416 1.00 0.00 C ATOM 1090 C LEU A 69 7.758 -2.137 -4.251 1.00 0.00 C ATOM 1091 O LEU A 69 7.083 -1.122 -4.086 1.00 0.00 O ATOM 1092 CB LEU A 69 8.732 -2.663 -1.940 1.00 0.00 C ATOM 1093 CG LEU A 69 7.995 -3.971 -1.642 1.00 0.00 C ATOM 1094 CD1 LEU A 69 8.944 -5.167 -1.732 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.285 -3.903 -0.288 1.00 0.00 C ATOM 0 H LEU A 69 9.439 -0.354 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 69 9.491 -3.278 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.680 -2.672 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.145 -1.838 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 69 7.227 -4.112 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.395 -6.084 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.364 -5.223 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.750 -5.047 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.769 -4.845 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.018 -3.728 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.561 -3.088 -0.297 1.00 0.00 H new ATOM 1107 N SER A 70 7.479 -3.089 -5.129 1.00 0.00 N ATOM 1108 CA SER A 70 6.313 -2.994 -5.991 1.00 0.00 C ATOM 1109 C SER A 70 5.659 -4.370 -6.139 1.00 0.00 C ATOM 1110 O SER A 70 6.342 -5.392 -6.105 1.00 0.00 O ATOM 1111 CB SER A 70 6.686 -2.433 -7.364 1.00 0.00 C ATOM 1112 OG SER A 70 5.546 -1.958 -8.075 1.00 0.00 O ATOM 0 H SER A 70 8.040 -3.930 -5.262 1.00 0.00 H new ATOM 0 HA SER A 70 5.602 -2.308 -5.530 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.401 -1.620 -7.241 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.182 -3.207 -7.950 1.00 0.00 H new ATOM 0 HG SER A 70 5.827 -1.607 -8.946 1.00 0.00 H new ATOM 1118 N PHE A 71 4.344 -4.350 -6.300 1.00 0.00 N ATOM 1119 CA PHE A 71 3.590 -5.583 -6.453 1.00 0.00 C ATOM 1120 C PHE A 71 2.294 -5.340 -7.229 1.00 0.00 C ATOM 1121 O PHE A 71 1.630 -4.323 -7.033 1.00 0.00 O ATOM 1122 CB PHE A 71 3.244 -6.073 -5.046 1.00 0.00 C ATOM 1123 CG PHE A 71 2.070 -5.334 -4.400 1.00 0.00 C ATOM 1124 CD1 PHE A 71 2.256 -4.095 -3.870 1.00 0.00 C ATOM 1125 CD2 PHE A 71 0.842 -5.915 -4.357 1.00 0.00 C ATOM 1126 CE1 PHE A 71 1.167 -3.409 -3.271 1.00 0.00 C ATOM 1127 CE2 PHE A 71 -0.248 -5.229 -3.757 1.00 0.00 C ATOM 1128 CZ PHE A 71 -0.062 -3.990 -3.227 1.00 0.00 C ATOM 0 H PHE A 71 3.781 -3.500 -6.328 1.00 0.00 H new ATOM 0 HA PHE A 71 4.181 -6.314 -7.005 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.010 -7.137 -5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.122 -5.966 -4.409 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.232 -3.633 -3.905 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.695 -6.898 -4.779 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.314 -2.425 -2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.224 -5.691 -3.722 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.890 -3.468 -2.771 1.00 0.00 H new ATOM 1138 N THR A 72 1.973 -6.291 -8.094 1.00 0.00 N ATOM 1139 CA THR A 72 0.768 -6.193 -8.900 1.00 0.00 C ATOM 1140 C THR A 72 -0.415 -6.832 -8.171 1.00 0.00 C ATOM 1141 O THR A 72 -0.237 -7.768 -7.392 1.00 0.00 O ATOM 1142 CB THR A 72 1.057 -6.828 -10.261 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.455 -8.160 -9.946 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.288 -6.223 -10.940 1.00 0.00 C ATOM 0 H THR A 72 2.526 -7.133 -8.254 1.00 0.00 H new ATOM 0 HA THR A 72 0.485 -5.153 -9.063 1.00 0.00 H new ATOM 0 HB THR A 72 0.189 -6.708 -10.909 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.388 -8.160 -9.647 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.449 -6.709 -11.902 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.131 -5.156 -11.095 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.163 -6.373 -10.307 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.597 -6.302 -8.448 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.810 -6.809 -7.828 1.00 0.00 C ATOM 1154 C TRP A 73 -3.935 -6.735 -8.862 1.00 0.00 C ATOM 1155 O TRP A 73 -4.125 -5.704 -9.506 1.00 0.00 O ATOM 1156 CB TRP A 73 -3.128 -6.045 -6.541 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.487 -6.394 -5.931 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -5.139 -7.563 -5.984 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -5.338 -5.513 -5.167 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -6.344 -7.500 -5.313 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.468 -6.214 -4.801 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -5.158 -4.168 -4.798 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -7.507 -5.654 -4.047 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -6.205 -3.623 -4.045 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -7.350 -4.316 -3.668 1.00 0.00 C ATOM 0 H TRP A 73 -1.741 -5.526 -9.094 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.684 -7.848 -7.525 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.348 -6.249 -5.807 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.098 -4.975 -6.749 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.769 -8.444 -6.488 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -7.019 -8.258 -5.212 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -4.282 -3.600 -5.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -8.382 -6.224 -3.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -6.117 -2.592 -3.735 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -8.115 -3.824 -3.085 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.432 -1.943 -11.989 1.00 0.00 N ATOM 1222 CA TRP A 78 -4.235 -1.253 -10.726 1.00 0.00 C ATOM 1223 C TRP A 78 -2.958 -1.799 -10.084 1.00 0.00 C ATOM 1224 O TRP A 78 -2.913 -2.956 -9.670 1.00 0.00 O ATOM 1225 CB TRP A 78 -5.464 -1.394 -9.826 1.00 0.00 C ATOM 1226 CG TRP A 78 -6.573 -0.384 -10.125 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.496 0.733 -10.861 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.938 -0.444 -9.660 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.706 1.394 -10.906 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.611 0.656 -10.152 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -8.584 -1.396 -8.852 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.963 0.908 -9.891 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -9.935 -1.130 -8.600 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -10.627 -0.027 -9.087 1.00 0.00 C ATOM 0 HA TRP A 78 -4.114 -0.182 -10.887 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.866 -2.402 -9.932 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.155 -1.282 -8.787 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.599 1.073 -11.357 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -7.901 2.264 -11.401 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -8.078 -2.264 -8.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.467 1.777 -10.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -10.478 -1.831 -7.984 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -11.671 0.108 -8.847 1.00 0.00 H new ATOM 1245 N SER A 79 -1.951 -0.940 -10.021 1.00 0.00 N ATOM 1246 CA SER A 79 -0.677 -1.322 -9.436 1.00 0.00 C ATOM 1247 C SER A 79 -0.227 -0.264 -8.427 1.00 0.00 C ATOM 1248 O SER A 79 -0.336 0.934 -8.686 1.00 0.00 O ATOM 1249 CB SER A 79 0.390 -1.512 -10.516 1.00 0.00 C ATOM 1250 OG SER A 79 -0.073 -1.107 -11.802 1.00 0.00 O ATOM 0 H SER A 79 -1.992 0.019 -10.365 1.00 0.00 H new ATOM 0 HA SER A 79 -0.809 -2.274 -8.921 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.278 -0.937 -10.253 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.687 -2.560 -10.551 1.00 0.00 H new ATOM 0 HG SER A 79 0.638 -1.242 -12.463 1.00 0.00 H new ATOM 1256 N VAL A 80 0.270 -0.744 -7.296 1.00 0.00 N ATOM 1257 CA VAL A 80 0.737 0.145 -6.247 1.00 0.00 C ATOM 1258 C VAL A 80 2.226 -0.104 -5.998 1.00 0.00 C ATOM 1259 O VAL A 80 2.675 -1.250 -5.990 1.00 0.00 O ATOM 1260 CB VAL A 80 -0.117 -0.035 -4.990 1.00 0.00 C ATOM 1261 CG1 VAL A 80 -0.542 -1.495 -4.820 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.622 0.469 -3.748 1.00 0.00 C ATOM 0 H VAL A 80 0.359 -1.738 -7.084 1.00 0.00 H new ATOM 0 HA VAL A 80 0.628 1.186 -6.552 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.019 0.565 -5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.148 -1.595 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.125 -1.807 -5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.344 -2.124 -4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.007 0.330 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.549 -0.091 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.851 1.528 -3.866 1.00 0.00 H new ATOM 1272 N THR A 81 2.952 0.987 -5.802 1.00 0.00 N ATOM 1273 CA THR A 81 4.381 0.901 -5.554 1.00 0.00 C ATOM 1274 C THR A 81 4.731 1.561 -4.219 1.00 0.00 C ATOM 1275 O THR A 81 4.210 2.627 -3.893 1.00 0.00 O ATOM 1276 CB THR A 81 5.106 1.524 -6.748 1.00 0.00 C ATOM 1277 OG1 THR A 81 4.608 0.803 -7.872 1.00 0.00 O ATOM 1278 CG2 THR A 81 6.606 1.221 -6.746 1.00 0.00 C ATOM 0 H THR A 81 2.577 1.936 -5.810 1.00 0.00 H new ATOM 0 HA THR A 81 4.705 -0.136 -5.463 1.00 0.00 H new ATOM 0 HB THR A 81 4.954 2.603 -6.741 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.971 -0.107 -7.864 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.072 1.686 -7.614 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.056 1.618 -5.836 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.759 0.143 -6.786 1.00 0.00 H new ATOM 1286 N PHE A 82 5.611 0.900 -3.481 1.00 0.00 N ATOM 1287 CA PHE A 82 6.037 1.409 -2.189 1.00 0.00 C ATOM 1288 C PHE A 82 7.480 1.916 -2.247 1.00 0.00 C ATOM 1289 O PHE A 82 8.270 1.456 -3.070 1.00 0.00 O ATOM 1290 CB PHE A 82 5.959 0.243 -1.201 1.00 0.00 C ATOM 1291 CG PHE A 82 4.544 -0.300 -0.991 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.526 0.552 -0.690 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.303 -1.633 -1.104 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.213 0.048 -0.495 1.00 0.00 C ATOM 1295 CE2 PHE A 82 2.990 -2.137 -0.909 1.00 0.00 C ATOM 1296 CZ PHE A 82 1.973 -1.286 -0.608 1.00 0.00 C ATOM 0 H PHE A 82 6.041 0.016 -3.754 1.00 0.00 H new ATOM 0 HA PHE A 82 5.400 2.241 -1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.598 -0.565 -1.557 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.359 0.567 -0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.717 1.611 -0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.111 -2.309 -1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.405 0.724 -0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.799 -3.196 -1.000 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.974 -1.669 -0.459 1.00 0.00 H new ATOM 1306 N HIS A 83 7.779 2.856 -1.364 1.00 0.00 N ATOM 1307 CA HIS A 83 9.112 3.430 -1.304 1.00 0.00 C ATOM 1308 C HIS A 83 9.456 3.783 0.144 1.00 0.00 C ATOM 1309 O HIS A 83 8.807 4.634 0.751 1.00 0.00 O ATOM 1310 CB HIS A 83 9.231 4.628 -2.249 1.00 0.00 C ATOM 1311 CG HIS A 83 9.168 4.263 -3.713 1.00 0.00 C ATOM 1312 ND1 HIS A 83 10.270 3.819 -4.424 1.00 0.00 N ATOM 1313 CD2 HIS A 83 8.125 4.280 -4.592 1.00 0.00 C ATOM 1314 CE1 HIS A 83 9.896 3.584 -5.672 1.00 0.00 C ATOM 1315 NE2 HIS A 83 8.566 3.870 -5.775 1.00 0.00 N ATOM 0 H HIS A 83 7.121 3.235 -0.683 1.00 0.00 H new ATOM 0 HA HIS A 83 9.842 2.696 -1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.431 5.334 -2.026 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.173 5.140 -2.053 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.112 4.577 -4.364 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.532 3.228 -6.469 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.003 3.783 -6.621 1.00 0.00 H new ATOM 1323 N LEU A 84 10.475 3.110 0.658 1.00 0.00 N ATOM 1324 CA LEU A 84 10.912 3.341 2.024 1.00 0.00 C ATOM 1325 C LEU A 84 12.240 4.101 2.008 1.00 0.00 C ATOM 1326 O LEU A 84 12.926 4.139 0.987 1.00 0.00 O ATOM 1327 CB LEU A 84 10.967 2.023 2.799 1.00 0.00 C ATOM 1328 CG LEU A 84 9.650 1.556 3.423 1.00 0.00 C ATOM 1329 CD1 LEU A 84 8.961 0.519 2.534 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.870 1.038 4.845 1.00 0.00 C ATOM 0 H LEU A 84 11.011 2.404 0.153 1.00 0.00 H new ATOM 0 HA LEU A 84 10.193 3.966 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.324 1.243 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.707 2.122 3.593 1.00 0.00 H new ATOM 0 HG LEU A 84 8.982 2.414 3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.027 0.203 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.750 0.958 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.614 -0.345 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.918 0.713 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.563 0.197 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.286 1.835 5.462 1.00 0.00 H new ATOM 1342 N LYS A 85 12.564 4.687 3.152 1.00 0.00 N ATOM 1343 CA LYS A 85 13.798 5.443 3.282 1.00 0.00 C ATOM 1344 C LYS A 85 13.930 5.950 4.719 1.00 0.00 C ATOM 1345 O LYS A 85 13.150 6.794 5.158 1.00 0.00 O ATOM 1346 CB LYS A 85 13.859 6.553 2.230 1.00 0.00 C ATOM 1347 CG LYS A 85 12.570 7.376 2.226 1.00 0.00 C ATOM 1348 CD LYS A 85 12.186 7.785 0.802 1.00 0.00 C ATOM 1349 CE LYS A 85 12.766 9.156 0.449 1.00 0.00 C ATOM 1350 NZ LYS A 85 12.685 9.393 -1.009 1.00 0.00 N ATOM 0 H LYS A 85 11.993 4.653 3.997 1.00 0.00 H new ATOM 0 HA LYS A 85 14.659 4.804 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.710 7.204 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.019 6.116 1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.762 6.796 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.701 8.266 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.550 7.039 0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.100 7.810 0.708 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.221 9.936 0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.804 9.213 0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.083 10.328 -1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.225 8.659 -1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.691 9.359 -1.311 1.00 0.00 H new ATOM 1364 N GLU A 86 14.924 5.415 5.413 1.00 0.00 N ATOM 1365 CA GLU A 86 15.169 5.802 6.791 1.00 0.00 C ATOM 1366 C GLU A 86 15.561 7.280 6.866 1.00 0.00 C ATOM 1367 O GLU A 86 16.305 7.771 6.019 1.00 0.00 O ATOM 1368 CB GLU A 86 16.243 4.918 7.427 1.00 0.00 C ATOM 1369 CG GLU A 86 15.945 4.672 8.908 1.00 0.00 C ATOM 1370 CD GLU A 86 16.911 5.456 9.799 1.00 0.00 C ATOM 1371 OE1 GLU A 86 18.103 5.517 9.428 1.00 0.00 O ATOM 1372 OE2 GLU A 86 16.435 5.977 10.831 1.00 0.00 O ATOM 0 H GLU A 86 15.569 4.716 5.046 1.00 0.00 H new ATOM 0 HA GLU A 86 14.248 5.661 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.294 3.965 6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.219 5.393 7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.919 4.967 9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.025 3.607 9.127 1.00 0.00 H new ATOM 1379 N GLU A 87 15.042 7.946 7.887 1.00 0.00 N ATOM 1380 CA GLU A 87 15.328 9.357 8.083 1.00 0.00 C ATOM 1381 C GLU A 87 16.206 9.553 9.320 1.00 0.00 C ATOM 1382 O GLU A 87 16.737 8.589 9.868 1.00 0.00 O ATOM 1383 CB GLU A 87 14.035 10.168 8.193 1.00 0.00 C ATOM 1384 CG GLU A 87 14.068 11.381 7.261 1.00 0.00 C ATOM 1385 CD GLU A 87 14.017 12.686 8.058 1.00 0.00 C ATOM 1386 OE1 GLU A 87 15.089 13.085 8.563 1.00 0.00 O ATOM 1387 OE2 GLU A 87 12.908 13.255 8.145 1.00 0.00 O ATOM 0 H GLU A 87 14.425 7.535 8.587 1.00 0.00 H new ATOM 0 HA GLU A 87 15.874 9.722 7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.183 9.536 7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.896 10.499 9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.975 11.355 6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.224 11.338 6.572 1.00 0.00 H new ATOM 1394 N GLU A 88 16.331 10.809 9.725 1.00 0.00 N ATOM 1395 CA GLU A 88 17.135 11.144 10.887 1.00 0.00 C ATOM 1396 C GLU A 88 16.834 10.180 12.037 1.00 0.00 C ATOM 1397 O GLU A 88 17.666 9.343 12.383 1.00 0.00 O ATOM 1398 CB GLU A 88 16.904 12.595 11.314 1.00 0.00 C ATOM 1399 CG GLU A 88 17.848 13.542 10.571 1.00 0.00 C ATOM 1400 CD GLU A 88 18.483 14.549 11.532 1.00 0.00 C ATOM 1401 OE1 GLU A 88 17.710 15.331 12.127 1.00 0.00 O ATOM 1402 OE2 GLU A 88 19.727 14.514 11.650 1.00 0.00 O ATOM 0 H GLU A 88 15.888 11.607 9.268 1.00 0.00 H new ATOM 0 HA GLU A 88 18.186 11.042 10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.870 12.876 11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.059 12.691 12.389 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.629 12.967 10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.299 14.073 9.793 1.00 0.00 H new ATOM 1409 N ASN A 89 15.643 10.331 12.597 1.00 0.00 N ATOM 1410 CA ASN A 89 15.222 9.484 13.700 1.00 0.00 C ATOM 1411 C ASN A 89 13.820 8.943 13.416 1.00 0.00 C ATOM 1412 O ASN A 89 12.931 9.037 14.262 1.00 0.00 O ATOM 1413 CB ASN A 89 15.168 10.273 15.010 1.00 0.00 C ATOM 1414 CG ASN A 89 15.556 9.390 16.198 1.00 0.00 C ATOM 1415 OD1 ASN A 89 14.721 8.817 16.878 1.00 0.00 O ATOM 1416 ND2 ASN A 89 16.867 9.313 16.409 1.00 0.00 N ATOM 0 H ASN A 89 14.956 11.027 12.308 1.00 0.00 H new ATOM 0 HA ASN A 89 15.943 8.673 13.797 1.00 0.00 H new ATOM 0 HB2 ASN A 89 15.842 11.128 14.952 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.163 10.669 15.159 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.227 8.749 17.178 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.512 9.818 15.801 1.00 0.00 H new ATOM 1423 N GLY A 90 13.664 8.388 12.223 1.00 0.00 N ATOM 1424 CA GLY A 90 12.385 7.832 11.817 1.00 0.00 C ATOM 1425 C GLY A 90 12.477 7.204 10.424 1.00 0.00 C ATOM 1426 O GLY A 90 13.510 7.301 9.763 1.00 0.00 O ATOM 0 H GLY A 90 14.403 8.312 11.524 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.066 7.080 12.539 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.627 8.616 11.817 1.00 0.00 H new ATOM 1430 N THR A 91 11.383 6.575 10.020 1.00 0.00 N ATOM 1431 CA THR A 91 11.328 5.932 8.719 1.00 0.00 C ATOM 1432 C THR A 91 10.285 6.614 7.831 1.00 0.00 C ATOM 1433 O THR A 91 9.165 6.871 8.269 1.00 0.00 O ATOM 1434 CB THR A 91 11.058 4.442 8.939 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.242 3.964 9.570 1.00 0.00 O ATOM 1436 CG2 THR A 91 10.992 3.658 7.627 1.00 0.00 C ATOM 0 H THR A 91 10.528 6.497 10.571 1.00 0.00 H new ATOM 0 HA THR A 91 12.275 6.031 8.189 1.00 0.00 H new ATOM 0 HB THR A 91 10.121 4.320 9.482 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.082 3.863 10.532 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.798 2.607 7.841 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.190 4.056 7.005 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.941 3.752 7.099 1.00 0.00 H new ATOM 1444 N ILE A 92 10.691 6.887 6.599 1.00 0.00 N ATOM 1445 CA ILE A 92 9.806 7.534 5.646 1.00 0.00 C ATOM 1446 C ILE A 92 9.169 6.473 4.746 1.00 0.00 C ATOM 1447 O ILE A 92 9.863 5.607 4.214 1.00 0.00 O ATOM 1448 CB ILE A 92 10.552 8.625 4.877 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.081 9.702 5.827 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.674 9.216 3.772 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.009 10.116 6.837 1.00 0.00 C ATOM 0 H ILE A 92 11.621 6.672 6.239 1.00 0.00 H new ATOM 0 HA ILE A 92 8.993 8.042 6.165 1.00 0.00 H new ATOM 0 HB ILE A 92 11.416 8.171 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.958 9.327 6.355 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.401 10.572 5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.229 9.989 3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.389 8.429 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.777 9.651 4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.410 10.882 7.500 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.143 10.512 6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.709 9.249 7.425 1.00 0.00 H new ATOM 1463 N PHE A 93 7.856 6.574 4.604 1.00 0.00 N ATOM 1464 CA PHE A 93 7.118 5.633 3.777 1.00 0.00 C ATOM 1465 C PHE A 93 6.308 6.364 2.705 1.00 0.00 C ATOM 1466 O PHE A 93 5.426 7.160 3.023 1.00 0.00 O ATOM 1467 CB PHE A 93 6.158 4.883 4.702 1.00 0.00 C ATOM 1468 CG PHE A 93 5.396 3.746 4.018 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.454 4.028 3.078 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.660 2.454 4.349 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.747 2.973 2.443 1.00 0.00 C ATOM 1472 CE2 PHE A 93 4.953 1.399 3.714 1.00 0.00 C ATOM 1473 CZ PHE A 93 4.011 1.681 2.774 1.00 0.00 C ATOM 0 H PHE A 93 7.284 7.293 5.047 1.00 0.00 H new ATOM 0 HA PHE A 93 7.810 4.957 3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.722 4.476 5.541 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.440 5.591 5.115 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.244 5.054 2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.408 2.230 5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.999 3.197 1.697 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.163 0.373 3.977 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.473 0.879 2.291 1.00 0.00 H new ATOM 1483 N THR A 94 6.637 6.068 1.456 1.00 0.00 N ATOM 1484 CA THR A 94 5.951 6.687 0.334 1.00 0.00 C ATOM 1485 C THR A 94 5.193 5.633 -0.475 1.00 0.00 C ATOM 1486 O THR A 94 5.726 4.561 -0.759 1.00 0.00 O ATOM 1487 CB THR A 94 6.987 7.455 -0.488 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.329 8.567 0.335 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.385 8.091 -1.743 1.00 0.00 C ATOM 0 H THR A 94 7.370 5.408 1.196 1.00 0.00 H new ATOM 0 HA THR A 94 5.195 7.395 0.674 1.00 0.00 H new ATOM 0 HB THR A 94 7.794 6.781 -0.775 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.998 9.118 -0.122 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.163 8.624 -2.290 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.963 7.313 -2.379 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.600 8.790 -1.456 1.00 0.00 H new ATOM 1497 N ILE A 95 3.961 5.974 -0.823 1.00 0.00 N ATOM 1498 CA ILE A 95 3.124 5.070 -1.594 1.00 0.00 C ATOM 1499 C ILE A 95 2.830 5.694 -2.960 1.00 0.00 C ATOM 1500 O ILE A 95 2.755 6.916 -3.085 1.00 0.00 O ATOM 1501 CB ILE A 95 1.868 4.698 -0.804 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.882 3.918 -1.677 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.224 5.939 -0.182 1.00 0.00 C ATOM 1504 CD1 ILE A 95 0.051 4.865 -2.545 1.00 0.00 C ATOM 0 H ILE A 95 3.522 6.864 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 95 3.646 4.131 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 95 2.162 4.042 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.427 3.220 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.222 3.324 -1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.333 5.647 0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.933 6.417 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.946 6.639 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.641 4.286 -3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.511 5.546 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.713 5.439 -3.193 1.00 0.00 H new ATOM 1516 N VAL A 96 2.671 4.828 -3.949 1.00 0.00 N ATOM 1517 CA VAL A 96 2.386 5.279 -5.301 1.00 0.00 C ATOM 1518 C VAL A 96 1.393 4.317 -5.956 1.00 0.00 C ATOM 1519 O VAL A 96 1.711 3.151 -6.185 1.00 0.00 O ATOM 1520 CB VAL A 96 3.689 5.422 -6.090 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.409 5.774 -7.552 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.611 6.457 -5.443 1.00 0.00 C ATOM 0 H VAL A 96 2.734 3.816 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 96 1.921 6.265 -5.285 1.00 0.00 H new ATOM 0 HB VAL A 96 4.200 4.460 -6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.352 5.870 -8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.810 4.986 -8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.866 6.718 -7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.530 6.539 -6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.110 7.425 -5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.851 6.146 -4.426 1.00 0.00 H new ATOM 1532 N HIS A 97 0.210 4.842 -6.239 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.832 4.044 -6.864 1.00 0.00 C ATOM 1534 C HIS A 97 -1.198 4.650 -8.220 1.00 0.00 C ATOM 1535 O HIS A 97 -1.661 5.788 -8.292 1.00 0.00 O ATOM 1536 CB HIS A 97 -2.038 3.902 -5.933 1.00 0.00 C ATOM 1537 CG HIS A 97 -3.021 2.837 -6.360 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.390 3.040 -6.367 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.818 1.560 -6.795 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -4.975 1.928 -6.788 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -3.999 1.012 -7.052 1.00 0.00 N ATOM 0 H HIS A 97 -0.050 5.809 -6.047 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.464 3.034 -7.044 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.683 3.673 -4.928 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.556 4.859 -5.878 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.859 1.077 -6.911 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.038 1.774 -6.902 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.152 0.062 -7.391 1.00 0.00 H new ATOM 1549 N SER A 98 -0.977 3.863 -9.263 1.00 0.00 N ATOM 1550 CA SER A 98 -1.278 4.307 -10.613 1.00 0.00 C ATOM 1551 C SER A 98 -2.201 3.300 -11.302 1.00 0.00 C ATOM 1552 O SER A 98 -2.224 2.125 -10.940 1.00 0.00 O ATOM 1553 CB SER A 98 0.002 4.497 -11.428 1.00 0.00 C ATOM 1554 OG SER A 98 1.021 5.152 -10.678 1.00 0.00 O ATOM 0 H SER A 98 -0.593 2.920 -9.200 1.00 0.00 H new ATOM 0 HA SER A 98 -1.784 5.270 -10.551 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.366 3.526 -11.763 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.221 5.079 -12.322 1.00 0.00 H new ATOM 0 HG SER A 98 1.822 5.253 -11.233 1.00 0.00 H new ATOM 1889 N MET A 121 -10.728 5.785 -2.559 1.00 0.00 N ATOM 1890 CA MET A 121 -9.556 4.948 -2.368 1.00 0.00 C ATOM 1891 C MET A 121 -8.363 5.776 -1.888 1.00 0.00 C ATOM 1892 O MET A 121 -7.670 5.387 -0.950 1.00 0.00 O ATOM 1893 CB MET A 121 -9.201 4.258 -3.687 1.00 0.00 C ATOM 1894 CG MET A 121 -10.140 3.081 -3.960 1.00 0.00 C ATOM 1895 SD MET A 121 -9.368 1.554 -3.451 1.00 0.00 S ATOM 1896 CE MET A 121 -8.644 1.041 -5.000 1.00 0.00 C ATOM 0 HA MET A 121 -9.786 4.202 -1.607 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.264 4.975 -4.505 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.170 3.905 -3.651 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.078 3.221 -3.422 1.00 0.00 H new ATOM 0 HG3 MET A 121 -10.384 3.039 -5.021 1.00 0.00 H new ATOM 0 HE1 MET A 121 -8.119 0.096 -4.861 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.430 0.913 -5.744 1.00 0.00 H new ATOM 0 HE3 MET A 121 -7.941 1.800 -5.342 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.160 6.904 -2.554 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.063 7.791 -2.207 1.00 0.00 C ATOM 1908 C ASP A 122 -7.119 8.103 -0.710 1.00 0.00 C ATOM 1909 O ASP A 122 -6.121 7.964 -0.005 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.161 9.113 -2.970 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.261 10.232 -2.442 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -6.701 10.914 -1.492 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -5.153 10.381 -3.002 1.00 0.00 O ATOM 0 H ASP A 122 -8.737 7.224 -3.332 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.130 7.292 -2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -6.913 8.931 -4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.195 9.455 -2.942 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.297 8.519 -0.269 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.497 8.853 1.131 1.00 0.00 C ATOM 1920 C ARG A 123 -8.105 7.670 2.020 1.00 0.00 C ATOM 1921 O ARG A 123 -7.240 7.798 2.884 1.00 0.00 O ATOM 1922 CB ARG A 123 -9.954 9.227 1.406 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.191 10.720 1.170 1.00 0.00 C ATOM 1924 CD ARG A 123 -10.775 11.387 2.417 1.00 0.00 C ATOM 1925 NE ARG A 123 -11.910 12.258 2.040 1.00 0.00 N ATOM 1926 CZ ARG A 123 -11.789 13.380 1.317 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -10.582 13.773 0.888 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -12.875 14.108 1.022 1.00 0.00 N ATOM 0 H ARG A 123 -9.123 8.632 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 123 -7.865 9.711 1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.611 8.644 0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.211 8.973 2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -9.251 11.203 0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -10.871 10.855 0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -11.108 10.627 3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -10.006 11.974 2.919 1.00 0.00 H new ATOM 0 HE ARG A 123 -12.843 11.988 2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -9.756 13.218 1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -10.489 14.627 0.338 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -13.794 13.808 1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -12.783 14.962 0.472 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.761 6.545 1.775 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.493 5.340 2.542 1.00 0.00 C ATOM 1944 C GLY A 124 -7.026 4.924 2.413 1.00 0.00 C ATOM 1945 O GLY A 124 -6.446 4.383 3.353 1.00 0.00 O ATOM 0 H GLY A 124 -9.477 6.443 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.736 5.511 3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.136 4.532 2.193 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.470 5.191 1.240 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.082 4.850 0.976 1.00 0.00 C ATOM 1951 C TRP A 125 -4.215 5.551 2.024 1.00 0.00 C ATOM 1952 O TRP A 125 -3.410 4.910 2.698 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.693 5.211 -0.459 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.624 4.011 -1.406 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.234 3.857 -2.589 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.876 2.794 -1.198 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -4.934 2.636 -3.158 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -4.082 1.969 -2.285 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -3.052 2.404 -0.128 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -3.499 0.702 -2.407 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -2.476 1.135 -0.265 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -2.674 0.292 -1.353 1.00 0.00 C ATOM 0 H TRP A 125 -6.955 5.639 0.462 1.00 0.00 H new ATOM 0 HA TRP A 125 -4.927 3.774 1.059 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.414 5.929 -0.850 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.723 5.708 -0.447 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -5.880 4.596 -3.041 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.275 2.287 -4.054 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.877 3.033 0.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.676 0.075 -3.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -1.833 0.787 0.530 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -2.193 -0.675 -1.385 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.409 6.857 2.129 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.655 7.652 3.084 1.00 0.00 C ATOM 1975 C HIS A 126 -3.979 7.189 4.506 1.00 0.00 C ATOM 1976 O HIS A 126 -3.077 6.904 5.290 1.00 0.00 O ATOM 1977 CB HIS A 126 -3.914 9.145 2.872 1.00 0.00 C ATOM 1978 CG HIS A 126 -2.722 10.023 3.171 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -1.417 9.612 2.961 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -2.651 11.293 3.663 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -0.606 10.598 3.316 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -1.373 11.638 3.751 1.00 0.00 N ATOM 0 H HIS A 126 -5.078 7.385 1.568 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.587 7.502 2.925 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.222 9.307 1.839 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.747 9.452 3.505 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -3.493 11.913 3.935 1.00 0.00 H new ATOM 0 HE1 HIS A 126 0.473 10.581 3.269 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -1.022 12.534 4.089 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.271 7.130 4.794 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.726 6.707 6.108 1.00 0.00 C ATOM 1992 C ASP A 127 -5.098 5.355 6.449 1.00 0.00 C ATOM 1993 O ASP A 127 -4.629 5.149 7.568 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.247 6.543 6.137 1.00 0.00 C ATOM 1995 CG ASP A 127 -7.913 6.925 7.461 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -7.169 7.034 8.460 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -9.151 7.098 7.444 1.00 0.00 O ATOM 0 H ASP A 127 -6.017 7.368 4.140 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.432 7.470 6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.678 7.151 5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.490 5.505 5.912 1.00 0.00 H new ATOM 2002 N LEU A 128 -5.108 4.468 5.465 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.545 3.141 5.647 1.00 0.00 C ATOM 2004 C LEU A 128 -3.059 3.264 5.986 1.00 0.00 C ATOM 2005 O LEU A 128 -2.590 2.680 6.962 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.827 2.267 4.424 1.00 0.00 C ATOM 2007 CG LEU A 128 -4.141 0.899 4.404 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.790 -0.054 5.410 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -4.123 0.315 2.990 1.00 0.00 C ATOM 0 H LEU A 128 -5.497 4.642 4.539 1.00 0.00 H new ATOM 0 HA LEU A 128 -5.023 2.637 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.904 2.112 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.524 2.816 3.532 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.103 1.032 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -4.284 -1.019 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.707 0.364 6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.842 -0.187 5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.630 -0.657 3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.146 0.198 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.580 0.987 2.326 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.358 4.029 5.161 1.00 0.00 N ATOM 2022 CA VAL A 129 -0.934 4.237 5.361 1.00 0.00 C ATOM 2023 C VAL A 129 -0.721 5.483 6.222 1.00 0.00 C ATOM 2024 O VAL A 129 0.227 6.237 6.005 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.222 4.314 4.009 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.759 5.477 3.172 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.293 4.425 4.193 1.00 0.00 C ATOM 0 H VAL A 129 -2.750 4.512 4.353 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.496 3.394 5.896 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.427 3.390 3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.236 5.509 2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.826 5.338 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.598 6.414 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.775 4.478 3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.525 5.325 4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.659 3.551 4.731 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.618 5.662 7.180 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.540 6.805 8.074 1.00 0.00 C ATOM 2039 C ASN A 130 -1.440 6.311 9.519 1.00 0.00 C ATOM 2040 O ASN A 130 -0.497 6.652 10.232 1.00 0.00 O ATOM 2041 CB ASN A 130 -2.789 7.681 7.960 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.473 8.995 7.242 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -2.861 10.071 7.665 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -1.750 8.847 6.136 1.00 0.00 N ATOM 0 H ASN A 130 -2.403 5.035 7.357 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.663 7.390 7.797 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.566 7.143 7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.182 7.891 8.955 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -1.487 9.664 5.585 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -1.458 7.916 5.838 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.425 5.515 9.908 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.460 4.970 11.254 1.00 0.00 C ATOM 2053 C GLU A 131 -2.403 3.442 11.210 1.00 0.00 C ATOM 2054 O GLU A 131 -1.509 2.833 11.797 1.00 0.00 O ATOM 2055 CB GLU A 131 -3.701 5.451 12.008 1.00 0.00 C ATOM 2056 CG GLU A 131 -3.954 6.939 11.756 1.00 0.00 C ATOM 2057 CD GLU A 131 -3.914 7.732 13.064 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -3.012 7.438 13.878 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -4.786 8.613 13.220 1.00 0.00 O ATOM 0 H GLU A 131 -3.205 5.234 9.314 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.585 5.331 11.794 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -4.569 4.872 11.693 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.572 5.276 13.076 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -3.203 7.328 11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.924 7.070 11.277 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.368 2.865 10.510 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.439 1.420 10.382 1.00 0.00 C ATOM 2068 C ARG A 132 -2.035 0.830 10.239 1.00 0.00 C ATOM 2069 O ARG A 132 -1.635 -0.027 11.026 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.281 1.015 9.170 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.736 1.454 9.341 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.615 0.282 9.782 1.00 0.00 C ATOM 2073 NE ARG A 132 -7.909 0.322 9.065 1.00 0.00 N ATOM 2074 CZ ARG A 132 -8.692 -0.747 8.867 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -8.316 -1.947 9.330 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -9.850 -0.617 8.206 1.00 0.00 N ATOM 0 H ARG A 132 -4.108 3.373 10.025 1.00 0.00 H new ATOM 0 HA ARG A 132 -3.910 1.030 11.284 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.866 1.464 8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.237 -0.066 9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.794 2.254 10.079 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.110 1.860 8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -6.107 -0.661 9.580 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -6.784 0.328 10.858 1.00 0.00 H new ATOM 0 HE ARG A 132 -8.225 1.220 8.698 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -7.434 -2.046 9.833 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -8.912 -2.761 9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -10.136 0.296 7.853 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -10.446 -1.431 8.056 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.325 1.312 9.229 1.00 0.00 N ATOM 2091 CA LEU A 133 0.026 0.843 8.974 1.00 0.00 C ATOM 2092 C LEU A 133 0.940 1.285 10.118 1.00 0.00 C ATOM 2093 O LEU A 133 1.852 0.556 10.506 1.00 0.00 O ATOM 2094 CB LEU A 133 0.501 1.304 7.594 1.00 0.00 C ATOM 2095 CG LEU A 133 2.010 1.246 7.350 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.538 -0.181 7.516 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.368 1.834 5.984 1.00 0.00 C ATOM 0 H LEU A 133 -1.660 2.022 8.578 1.00 0.00 H new ATOM 0 HA LEU A 133 0.052 -0.246 8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.007 0.693 6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.167 2.330 7.441 1.00 0.00 H new ATOM 0 HG LEU A 133 2.501 1.861 8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.613 -0.194 7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.334 -0.529 8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.043 -0.838 6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.447 1.780 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.866 1.266 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.047 2.875 5.941 1.00 0.00 H new ATOM 2109 N ARG A 134 0.664 2.477 10.626 1.00 0.00 N ATOM 2110 CA ARG A 134 1.450 3.026 11.719 1.00 0.00 C ATOM 2111 C ARG A 134 1.364 2.114 12.944 1.00 0.00 C ATOM 2112 O ARG A 134 2.356 1.910 13.642 1.00 0.00 O ATOM 2113 CB ARG A 134 0.965 4.426 12.098 1.00 0.00 C ATOM 2114 CG ARG A 134 1.970 5.125 13.016 1.00 0.00 C ATOM 2115 CD ARG A 134 1.262 6.082 13.976 1.00 0.00 C ATOM 2116 NE ARG A 134 1.128 7.418 13.352 1.00 0.00 N ATOM 2117 CZ ARG A 134 0.686 8.507 13.996 1.00 0.00 C ATOM 2118 NH1 ARG A 134 0.332 8.425 15.286 1.00 0.00 N ATOM 2119 NH2 ARG A 134 0.598 9.677 13.350 1.00 0.00 N ATOM 0 H ARG A 134 -0.093 3.078 10.301 1.00 0.00 H new ATOM 0 HA ARG A 134 2.485 3.092 11.383 1.00 0.00 H new ATOM 0 HB2 ARG A 134 0.817 5.020 11.196 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -0.002 4.357 12.597 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.528 4.381 13.584 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.694 5.676 12.416 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.277 5.691 14.232 1.00 0.00 H new ATOM 0 HD3 ARG A 134 1.826 6.161 14.906 1.00 0.00 H new ATOM 0 HE ARG A 134 1.388 7.516 12.371 1.00 0.00 H new ATOM 0 HH11 ARG A 134 0.399 7.534 15.778 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -0.004 9.254 15.776 1.00 0.00 H new ATOM 0 HH21 ARG A 134 0.867 9.739 12.368 1.00 0.00 H new ATOM 0 HH22 ARG A 134 0.262 10.506 13.840 1.00 0.00 H new ATOM 2133 N GLN A 135 0.167 1.590 13.169 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.062 0.706 14.299 1.00 0.00 C ATOM 2135 C GLN A 135 0.800 -0.552 14.171 1.00 0.00 C ATOM 2136 O GLN A 135 1.283 -1.082 15.171 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.544 0.345 14.421 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.147 0.930 15.699 1.00 0.00 C ATOM 2139 CD GLN A 135 -2.363 -0.159 16.752 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -2.759 -1.274 16.457 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -2.082 0.226 17.994 1.00 0.00 N ATOM 0 H GLN A 135 -0.654 1.761 12.588 1.00 0.00 H new ATOM 0 HA GLN A 135 0.227 1.230 15.210 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.086 0.721 13.553 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.659 -0.739 14.423 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.487 1.700 16.097 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -3.097 1.412 15.469 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -1.754 1.175 18.172 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -2.194 -0.428 18.768 1.00 0.00 H new ATOM 2150 N ILE A 136 0.967 -0.994 12.933 1.00 0.00 N ATOM 2151 CA ILE A 136 1.762 -2.179 12.662 1.00 0.00 C ATOM 2152 C ILE A 136 3.134 -2.030 13.322 1.00 0.00 C ATOM 2153 O ILE A 136 3.793 -3.023 13.623 1.00 0.00 O ATOM 2154 CB ILE A 136 1.829 -2.446 11.157 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.427 -2.588 10.562 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.706 -3.663 10.855 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.467 -3.443 11.462 1.00 0.00 C ATOM 0 H ILE A 136 0.565 -0.552 12.106 1.00 0.00 H new ATOM 0 HA ILE A 136 1.293 -3.061 13.098 1.00 0.00 H new ATOM 0 HB ILE A 136 2.296 -1.585 10.678 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -0.018 -1.602 10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.492 -3.041 9.573 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.737 -3.831 9.778 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.716 -3.484 11.223 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.291 -4.542 11.348 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.458 -3.528 11.016 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.031 -4.436 11.570 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.550 -2.975 12.443 1.00 0.00 H new ATOM 2169 N VAL A 137 3.523 -0.780 13.527 1.00 0.00 N ATOM 2170 CA VAL A 137 4.805 -0.487 14.146 1.00 0.00 C ATOM 2171 C VAL A 137 4.571 0.134 15.525 1.00 0.00 C ATOM 2172 O VAL A 137 5.358 -0.076 16.446 1.00 0.00 O ATOM 2173 CB VAL A 137 5.641 0.402 13.224 1.00 0.00 C ATOM 2174 CG1 VAL A 137 6.053 -0.355 11.959 1.00 0.00 C ATOM 2175 CG2 VAL A 137 4.889 1.687 12.873 1.00 0.00 C ATOM 0 H VAL A 137 2.973 0.041 13.275 1.00 0.00 H new ATOM 0 HA VAL A 137 5.375 -1.404 14.295 1.00 0.00 H new ATOM 0 HB VAL A 137 6.549 0.680 13.759 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.646 0.299 11.320 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.645 -1.228 12.234 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.161 -0.676 11.421 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.505 2.301 12.217 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.957 1.436 12.366 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.668 2.240 13.786 1.00 0.00 H new ATOM 2185 N GLU A 138 3.485 0.888 15.622 1.00 0.00 N ATOM 2186 CA GLU A 138 3.138 1.541 16.873 1.00 0.00 C ATOM 2187 C GLU A 138 2.268 0.619 17.729 1.00 0.00 C ATOM 2188 O GLU A 138 1.584 1.078 18.643 1.00 0.00 O ATOM 2189 CB GLU A 138 2.436 2.876 16.617 1.00 0.00 C ATOM 2190 CG GLU A 138 3.449 4.020 16.526 1.00 0.00 C ATOM 2191 CD GLU A 138 3.411 4.886 17.787 1.00 0.00 C ATOM 2192 OE1 GLU A 138 2.452 5.678 17.903 1.00 0.00 O ATOM 2193 OE2 GLU A 138 4.344 4.736 18.606 1.00 0.00 O ATOM 0 H GLU A 138 2.835 1.061 14.855 1.00 0.00 H new ATOM 0 HA GLU A 138 4.058 1.750 17.419 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.863 2.818 15.691 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.726 3.077 17.419 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.451 3.613 16.390 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.232 4.634 15.652 1.00 0.00 H new