USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1324 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 139 TYR OH : rot -104:sc= 0.709 USER MOD Set 1.2: A 148 GLN : amide:sc= -4.76! C(o=-4!,f=-13!) USER MOD Set 2.1: A 114 CYS SG : rot 29:sc= -0.803 USER MOD Set 2.2: A 120 GLN : amide:sc= -3.65! K(o=-4.5!,f=-0.47) USER MOD Set 3.1: A 106 GLN : amide:sc= -2.92! C(o=-3.9!,f=-2.3!) USER MOD Set 3.2: A 108 TYR OH : rot 15:sc= -0.95! USER MOD Set 4.1: A 57 HIS : no HD1:sc= -13.5! C(o=-14!,f=-19!) USER MOD Set 4.2: A 59 TYR OH : rot -140:sc= -0.701 USER MOD Set 5.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 58 MET CE :methyl 165:sc= -0.284 (180deg=-0.809) USER MOD Set 6.1: A 20 TYR OH : rot -121:sc= 0.21 USER MOD Set 6.2: A 22 CYS SG : rot -104:sc= 0.106 USER MOD Set 6.3: A 26 CYS SG : rot 152:sc= -0.699 USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= -2.98! (180deg=-3.22!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 150:sc= -0.535 USER MOD Single : A 14 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.2!) USER MOD Single : A 16 GLN : amide:sc= -0.0232 K(o=-0.023,f=-2.3!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 65:sc= 0.117 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 45:sc= -1.52 USER MOD Single : A 37 ASN : amide:sc= -16.2! C(o=-16!,f=-18!) USER MOD Single : A 38 SER OG : rot -142:sc= 0.207 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.736 X(o=-0.74,f=-0.94) USER MOD Single : A 55 SER OG : rot 46:sc= 0.229 USER MOD Single : A 63 GLN : amide:sc= -3.29! C(o=-3.3!,f=-4.2!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.438! C(o=-0.44!,f=-10!) USER MOD Single : A 81 SER OG : rot 176:sc= 0.952 USER MOD Single : A 82 CYS SG : rot 180:sc= -0.323 USER MOD Single : A 86 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.11) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -3.29! K(o=-3.3!,f=-2.1) USER MOD Single : A 94 LYS NZ :NH3+ -130:sc= -2.02 (180deg=-4.91!) USER MOD Single : A 96 GLN : amide:sc= -1.02 K(o=-1,f=-2.2!) USER MOD Single : A 100 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.105) USER MOD Single : A 104 ASN : amide:sc= -0.0475 K(o=-0.048,f=-1.7!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.201 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-2.8!) USER MOD Single : A 127 HIS : no HD1:sc= -1.04 K(o=-1,f=-2.7!) USER MOD Single : A 128 SER OG : rot -86:sc= 0.592 USER MOD Single : A 129 CYS SG : rot 19:sc= 0.707 USER MOD Single : A 130 LYS NZ :NH3+ 170:sc= -0.179 (180deg=-0.497) USER MOD Single : A 143 ASN : amide:sc= -3.92! K(o=-3.9!,f=-1) USER MOD Single : A 144 TYR OH : rot 180:sc=-0.000594 USER MOD Single : A 149 TYR OH : rot 180:sc= -0.464 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= 0.563 USER MOD Single : A 158 LYS NZ :NH3+ 167:sc= -0.0119 (180deg=-0.28) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -7.99! C(o=-8!,f=-4.4!) USER MOD Single : A 171 SER OG : rot -130:sc= -0.826 USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.627 -11.459 0.996 1.00 0.52 N ATOM 51 CA GLY A 4 -15.971 -10.964 2.367 1.00 0.30 C ATOM 52 C GLY A 4 -14.659 -10.880 3.153 1.00 0.41 C ATOM 53 O GLY A 4 -14.254 -11.810 3.821 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.453 -9.988 2.315 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.672 -11.640 2.857 1.00 0.30 H new ATOM 57 N GLY A 5 -13.984 -9.764 3.050 1.00 0.01 N ATOM 58 CA GLY A 5 -12.685 -9.609 3.759 1.00 0.01 C ATOM 59 C GLY A 5 -12.910 -9.308 5.240 1.00 0.01 C ATOM 60 O GLY A 5 -13.890 -8.701 5.626 1.00 0.01 O ATOM 0 H GLY A 5 -14.279 -8.954 2.504 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.097 -10.520 3.653 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.110 -8.804 3.302 1.00 0.01 H new ATOM 64 N LYS A 6 -12.000 -9.737 6.074 1.00 0.00 N ATOM 65 CA LYS A 6 -12.137 -9.494 7.543 1.00 0.01 C ATOM 66 C LYS A 6 -10.750 -9.365 8.174 1.00 0.01 C ATOM 67 O LYS A 6 -9.848 -10.126 7.885 1.00 0.00 O ATOM 68 CB LYS A 6 -12.885 -10.660 8.197 1.00 0.02 C ATOM 69 CG LYS A 6 -13.363 -10.261 9.593 1.00 0.02 C ATOM 70 CD LYS A 6 -14.116 -11.437 10.220 1.00 0.02 C ATOM 71 CE LYS A 6 -14.543 -11.074 11.641 1.00 0.02 C ATOM 72 NZ LYS A 6 -15.396 -9.851 11.606 1.00 0.02 N ATOM 0 H LYS A 6 -11.161 -10.249 5.800 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.697 -8.572 7.700 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.737 -10.947 7.581 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.232 -11.530 8.263 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.513 -9.984 10.216 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.013 -9.388 9.533 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -14.991 -11.684 9.619 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -13.480 -12.322 10.236 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.093 -11.901 12.090 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -13.665 -10.900 12.263 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -15.756 -9.652 12.561 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -14.831 -9.043 11.274 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -16.196 -10.004 10.959 1.00 0.02 H new ATOM 86 N ILE A 7 -10.585 -8.397 9.044 1.00 0.02 N ATOM 87 CA ILE A 7 -9.269 -8.187 9.728 1.00 0.00 C ATOM 88 C ILE A 7 -9.501 -8.064 11.237 1.00 0.02 C ATOM 89 O ILE A 7 -10.438 -7.428 11.682 1.00 0.01 O ATOM 90 CB ILE A 7 -8.601 -6.933 9.159 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.368 -6.579 9.992 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.580 -5.763 9.181 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.527 -5.545 9.237 1.00 0.02 C ATOM 0 H ILE A 7 -11.314 -7.736 9.312 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.606 -9.035 9.553 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.300 -7.131 8.130 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.671 -6.181 10.960 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.777 -7.474 10.186 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.095 -4.875 8.774 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.454 -6.008 8.577 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -9.891 -5.568 10.207 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.647 -5.290 9.828 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.213 -5.960 8.279 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.121 -4.648 9.066 1.00 0.02 H new ATOM 105 N SER A 8 -8.643 -8.670 12.029 1.00 0.02 N ATOM 106 CA SER A 8 -8.785 -8.599 13.521 1.00 0.02 C ATOM 107 C SER A 8 -7.524 -7.990 14.138 1.00 0.01 C ATOM 108 O SER A 8 -6.422 -8.404 13.851 1.00 0.02 O ATOM 109 CB SER A 8 -9.001 -10.004 14.097 1.00 0.30 C ATOM 110 OG SER A 8 -9.871 -10.731 13.239 1.00 0.39 O ATOM 0 H SER A 8 -7.845 -9.215 11.702 1.00 0.02 H new ATOM 0 HA SER A 8 -9.645 -7.974 13.760 1.00 0.02 H new ATOM 0 HB2 SER A 8 -8.047 -10.522 14.191 1.00 0.30 H new ATOM 0 HB3 SER A 8 -9.428 -9.938 15.098 1.00 0.30 H new ATOM 0 HG SER A 8 -10.011 -11.631 13.601 1.00 0.39 H new ATOM 116 N PHE A 9 -7.694 -7.012 14.994 1.00 0.02 N ATOM 117 CA PHE A 9 -6.528 -6.358 15.668 1.00 0.01 C ATOM 118 C PHE A 9 -6.525 -6.742 17.153 1.00 0.01 C ATOM 119 O PHE A 9 -7.567 -6.798 17.776 1.00 0.02 O ATOM 120 CB PHE A 9 -6.674 -4.837 15.566 1.00 0.02 C ATOM 121 CG PHE A 9 -6.965 -4.423 14.143 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.266 -4.527 13.635 1.00 0.01 C ATOM 123 CD2 PHE A 9 -5.937 -3.921 13.337 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.538 -4.128 12.322 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.208 -3.525 12.023 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.510 -3.628 11.515 1.00 0.02 C ATOM 0 H PHE A 9 -8.604 -6.634 15.258 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.604 -6.682 15.190 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.478 -4.499 16.220 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.759 -4.355 15.910 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.059 -4.915 14.257 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -4.934 -3.839 13.730 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.542 -4.206 11.931 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.414 -3.140 11.400 1.00 0.02 H new ATOM 0 HZ PHE A 9 -7.720 -3.322 10.501 1.00 0.02 H new ATOM 136 N TYR A 10 -5.373 -7.009 17.726 1.00 0.02 N ATOM 137 CA TYR A 10 -5.309 -7.395 19.178 1.00 0.01 C ATOM 138 C TYR A 10 -4.398 -6.418 19.929 1.00 0.02 C ATOM 139 O TYR A 10 -3.369 -6.006 19.430 1.00 0.01 O ATOM 140 CB TYR A 10 -4.734 -8.808 19.300 1.00 0.02 C ATOM 141 CG TYR A 10 -5.415 -9.727 18.310 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.120 -9.628 16.942 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.337 -10.682 18.757 1.00 0.00 C ATOM 144 CE1 TYR A 10 -5.747 -10.483 16.026 1.00 0.02 C ATOM 145 CE2 TYR A 10 -6.964 -11.535 17.842 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.669 -11.435 16.476 1.00 0.00 C ATOM 147 OH TYR A 10 -7.286 -12.277 15.575 1.00 0.02 O ATOM 0 H TYR A 10 -4.471 -6.977 17.251 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.311 -7.364 19.606 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.660 -8.791 19.114 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.876 -9.182 20.314 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.409 -8.893 16.595 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.564 -10.760 19.810 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.519 -10.407 14.973 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.675 -12.270 18.189 1.00 0.02 H new ATOM 0 HH TYR A 10 -7.492 -13.130 16.012 1.00 0.02 H new ATOM 157 N GLU A 11 -4.790 -6.014 21.112 1.00 0.00 N ATOM 158 CA GLU A 11 -3.965 -5.034 21.873 1.00 0.02 C ATOM 159 C GLU A 11 -2.658 -5.652 22.371 1.00 0.03 C ATOM 160 O GLU A 11 -1.684 -4.950 22.548 1.00 0.03 O ATOM 161 CB GLU A 11 -4.764 -4.534 23.078 1.00 0.00 C ATOM 162 CG GLU A 11 -6.068 -3.897 22.598 1.00 0.00 C ATOM 163 CD GLU A 11 -6.674 -3.055 23.721 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.119 -3.064 24.807 1.00 0.01 O ATOM 165 OE2 GLU A 11 -7.684 -2.417 23.476 1.00 0.02 O ATOM 0 H GLU A 11 -5.643 -6.321 21.580 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.718 -4.213 21.200 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -4.979 -5.362 23.754 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.178 -3.807 23.640 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.879 -3.273 21.724 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.771 -4.671 22.291 1.00 0.00 H new ATOM 172 N ASP A 12 -2.605 -6.948 22.603 1.00 0.02 N ATOM 173 CA ASP A 12 -1.331 -7.574 23.094 1.00 0.01 C ATOM 174 C ASP A 12 -0.769 -8.528 22.034 1.00 0.02 C ATOM 175 O ASP A 12 -1.409 -8.839 21.048 1.00 0.02 O ATOM 176 CB ASP A 12 -1.594 -8.358 24.382 1.00 0.01 C ATOM 177 CG ASP A 12 -2.138 -7.411 25.455 1.00 0.01 C ATOM 178 OD1 ASP A 12 -3.162 -6.797 25.210 1.00 0.02 O ATOM 179 OD2 ASP A 12 -1.520 -7.318 26.502 1.00 0.03 O ATOM 0 H ASP A 12 -3.384 -7.594 22.474 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.609 -6.781 23.289 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.309 -9.159 24.193 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -0.673 -8.827 24.729 1.00 0.01 H new ATOM 184 N ARG A 13 0.438 -8.971 22.238 1.00 0.02 N ATOM 185 CA ARG A 13 1.097 -9.891 21.265 1.00 0.02 C ATOM 186 C ARG A 13 0.504 -11.299 21.375 1.00 0.00 C ATOM 187 O ARG A 13 -0.037 -11.685 22.392 1.00 0.02 O ATOM 188 CB ARG A 13 2.591 -9.949 21.592 1.00 0.00 C ATOM 189 CG ARG A 13 3.178 -8.536 21.569 1.00 0.01 C ATOM 190 CD ARG A 13 4.649 -8.584 21.994 1.00 0.02 C ATOM 191 NE ARG A 13 4.730 -8.718 23.474 1.00 0.03 N ATOM 192 CZ ARG A 13 5.853 -9.071 24.038 1.00 0.02 C ATOM 193 NH1 ARG A 13 6.905 -9.306 23.304 1.00 0.02 N ATOM 194 NH2 ARG A 13 5.925 -9.186 25.335 1.00 0.02 N ATOM 0 H ARG A 13 1.007 -8.732 23.050 1.00 0.02 H new ATOM 0 HA ARG A 13 0.938 -9.523 20.252 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.741 -10.400 22.573 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.107 -10.580 20.869 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.092 -8.112 20.569 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.616 -7.887 22.240 1.00 0.01 H new ATOM 0 HD2 ARG A 13 5.151 -9.424 21.513 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.162 -7.678 21.671 1.00 0.02 H new ATOM 0 HE ARG A 13 3.907 -8.534 24.048 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.850 -9.214 22.290 1.00 0.02 H new ATOM 0 HH12 ARG A 13 7.783 -9.582 23.744 1.00 0.02 H new ATOM 0 HH21 ARG A 13 5.103 -9.000 25.910 1.00 0.02 H new ATOM 0 HH22 ARG A 13 6.803 -9.462 25.775 1.00 0.02 H new ATOM 208 N ASN A 14 0.631 -12.068 20.325 1.00 0.02 N ATOM 209 CA ASN A 14 0.113 -13.470 20.322 1.00 0.02 C ATOM 210 C ASN A 14 -1.419 -13.502 20.397 1.00 0.02 C ATOM 211 O ASN A 14 -2.018 -14.399 20.954 1.00 0.02 O ATOM 212 CB ASN A 14 0.732 -14.231 21.500 1.00 0.26 C ATOM 213 CG ASN A 14 2.175 -13.770 21.702 1.00 0.12 C ATOM 214 OD1 ASN A 14 2.843 -13.390 20.760 1.00 0.74 O ATOM 215 ND2 ASN A 14 2.690 -13.789 22.902 1.00 0.46 N ATOM 0 H ASN A 14 1.079 -11.779 19.455 1.00 0.02 H new ATOM 0 HA ASN A 14 0.397 -13.951 19.386 1.00 0.02 H new ATOM 0 HB2 ASN A 14 0.152 -14.054 22.406 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.705 -15.304 21.308 1.00 0.26 H new ATOM 0 HD21 ASN A 14 3.653 -13.485 23.049 1.00 0.46 H new ATOM 0 HD22 ASN A 14 2.130 -14.108 23.692 1.00 0.46 H new ATOM 222 N PHE A 15 -2.043 -12.531 19.786 1.00 0.02 N ATOM 223 CA PHE A 15 -3.536 -12.472 19.745 1.00 0.02 C ATOM 224 C PHE A 15 -4.133 -12.508 21.153 1.00 0.00 C ATOM 225 O PHE A 15 -5.122 -13.170 21.403 1.00 0.02 O ATOM 226 CB PHE A 15 -4.067 -13.670 18.935 1.00 0.02 C ATOM 227 CG PHE A 15 -3.091 -14.014 17.834 1.00 0.02 C ATOM 228 CD1 PHE A 15 -3.102 -13.291 16.636 1.00 0.02 C ATOM 229 CD2 PHE A 15 -2.174 -15.059 18.014 1.00 0.02 C ATOM 230 CE1 PHE A 15 -2.197 -13.613 15.617 1.00 0.02 C ATOM 231 CE2 PHE A 15 -1.268 -15.379 16.996 1.00 0.02 C ATOM 232 CZ PHE A 15 -1.279 -14.657 15.797 1.00 0.02 C ATOM 0 H PHE A 15 -1.575 -11.763 19.305 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.830 -11.534 19.274 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -4.209 -14.530 19.590 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -5.041 -13.430 18.509 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -3.808 -12.485 16.497 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -2.167 -15.617 18.938 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -2.206 -13.056 14.692 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -0.561 -16.183 17.136 1.00 0.02 H new ATOM 0 HZ PHE A 15 -0.581 -14.904 15.011 1.00 0.02 H new ATOM 242 N GLN A 16 -3.548 -11.781 22.066 1.00 0.02 N ATOM 243 CA GLN A 16 -4.070 -11.732 23.467 1.00 0.02 C ATOM 244 C GLN A 16 -4.588 -10.319 23.742 1.00 0.02 C ATOM 245 O GLN A 16 -4.316 -9.398 22.995 1.00 0.02 O ATOM 246 CB GLN A 16 -2.929 -12.048 24.437 1.00 0.02 C ATOM 247 CG GLN A 16 -2.578 -13.535 24.345 1.00 0.00 C ATOM 248 CD GLN A 16 -1.224 -13.783 25.013 1.00 0.00 C ATOM 249 OE1 GLN A 16 -0.533 -12.852 25.374 1.00 0.02 O ATOM 250 NE2 GLN A 16 -0.815 -15.008 25.195 1.00 0.02 N ATOM 0 H GLN A 16 -2.719 -11.210 21.901 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.872 -12.458 23.598 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -2.055 -11.442 24.197 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -3.223 -11.795 25.456 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.350 -14.132 24.831 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.543 -13.847 23.301 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.396 -15.790 24.892 1.00 0.02 H new ATOM 0 HE22 GLN A 16 0.085 -15.184 25.641 1.00 0.02 H new ATOM 259 N GLY A 17 -5.326 -10.128 24.804 1.00 0.03 N ATOM 260 CA GLY A 17 -5.844 -8.761 25.115 1.00 0.03 C ATOM 261 C GLY A 17 -7.190 -8.516 24.424 1.00 0.02 C ATOM 262 O GLY A 17 -7.811 -9.424 23.907 1.00 0.02 O ATOM 0 H GLY A 17 -5.592 -10.856 25.468 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.958 -8.648 26.193 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -5.122 -8.012 24.790 1.00 0.03 H new ATOM 266 N ARG A 18 -7.634 -7.288 24.407 1.00 0.00 N ATOM 267 CA ARG A 18 -8.929 -6.957 23.746 1.00 0.02 C ATOM 268 C ARG A 18 -8.764 -7.094 22.232 1.00 0.02 C ATOM 269 O ARG A 18 -7.724 -6.786 21.681 1.00 0.02 O ATOM 270 CB ARG A 18 -9.327 -5.522 24.104 1.00 0.79 C ATOM 271 CG ARG A 18 -10.671 -5.189 23.456 1.00 1.49 C ATOM 272 CD ARG A 18 -11.180 -3.848 23.989 1.00 1.42 C ATOM 273 NE ARG A 18 -10.178 -2.786 23.703 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.520 -1.531 23.792 1.00 2.35 C ATOM 275 NH1 ARG A 18 -11.740 -1.211 24.127 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.645 -0.597 23.546 1.00 2.76 N ATOM 0 H ARG A 18 -7.151 -6.494 24.826 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.709 -7.638 24.087 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.396 -5.412 25.186 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.563 -4.825 23.760 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.562 -5.143 22.372 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.395 -5.975 23.671 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -12.133 -3.598 23.523 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -11.358 -3.915 25.062 1.00 1.42 H new ATOM 0 HE ARG A 18 -9.226 -3.039 23.438 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -12.425 -1.942 24.319 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -12.009 -0.230 24.197 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -8.692 -0.848 23.284 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -9.913 0.385 23.616 1.00 2.76 H new ATOM 290 N ARG A 19 -9.781 -7.576 21.559 1.00 0.02 N ATOM 291 CA ARG A 19 -9.697 -7.771 20.076 1.00 0.02 C ATOM 292 C ARG A 19 -10.773 -6.943 19.370 1.00 0.02 C ATOM 293 O ARG A 19 -11.852 -6.730 19.886 1.00 0.02 O ATOM 294 CB ARG A 19 -9.931 -9.251 19.763 1.00 0.85 C ATOM 295 CG ARG A 19 -9.598 -9.525 18.293 1.00 1.31 C ATOM 296 CD ARG A 19 -10.051 -10.938 17.911 1.00 1.34 C ATOM 297 NE ARG A 19 -11.511 -10.928 17.612 1.00 1.50 N ATOM 298 CZ ARG A 19 -12.052 -11.929 16.976 1.00 1.63 C ATOM 299 NH1 ARG A 19 -11.315 -12.938 16.597 1.00 1.72 N ATOM 300 NH2 ARG A 19 -13.332 -11.922 16.717 1.00 1.89 N ATOM 0 H ARG A 19 -10.672 -7.845 21.976 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.715 -7.453 19.727 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.310 -9.872 20.409 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.968 -9.517 19.967 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -10.091 -8.791 17.656 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -8.526 -9.420 18.128 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -9.493 -11.288 17.042 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -9.840 -11.631 18.725 1.00 1.34 H new ATOM 0 HE ARG A 19 -12.087 -10.138 17.905 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -10.315 -12.943 16.799 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -11.739 -13.721 16.099 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -13.908 -11.134 17.012 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -13.756 -12.705 16.219 1.00 1.89 H new ATOM 314 N TYR A 20 -10.482 -6.502 18.174 1.00 0.02 N ATOM 315 CA TYR A 20 -11.465 -5.706 17.377 1.00 0.02 C ATOM 316 C TYR A 20 -11.530 -6.315 15.975 1.00 0.02 C ATOM 317 O TYR A 20 -10.523 -6.490 15.323 1.00 0.02 O ATOM 318 CB TYR A 20 -11.004 -4.244 17.296 1.00 0.02 C ATOM 319 CG TYR A 20 -11.822 -3.501 16.257 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.213 -3.411 16.395 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.189 -2.905 15.157 1.00 0.01 C ATOM 322 CE1 TYR A 20 -13.969 -2.727 15.436 1.00 0.02 C ATOM 323 CE2 TYR A 20 -11.946 -2.220 14.199 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.337 -2.131 14.339 1.00 0.02 C ATOM 325 OH TYR A 20 -14.083 -1.457 13.393 1.00 0.01 O ATOM 0 H TYR A 20 -9.589 -6.662 17.707 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.449 -5.730 17.846 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.114 -3.765 18.269 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -9.946 -4.201 17.037 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.702 -3.870 17.242 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.117 -2.974 15.049 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.042 -2.659 15.543 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -11.458 -1.760 13.352 1.00 0.02 H new ATOM 0 HH TYR A 20 -13.946 -1.869 12.514 1.00 0.01 H new ATOM 335 N ASP A 21 -12.709 -6.654 15.516 1.00 0.01 N ATOM 336 CA ASP A 21 -12.864 -7.277 14.162 1.00 0.02 C ATOM 337 C ASP A 21 -13.598 -6.311 13.231 1.00 0.00 C ATOM 338 O ASP A 21 -14.562 -5.676 13.611 1.00 0.01 O ATOM 339 CB ASP A 21 -13.680 -8.562 14.308 1.00 0.12 C ATOM 340 CG ASP A 21 -14.851 -8.317 15.259 1.00 0.41 C ATOM 341 OD1 ASP A 21 -15.724 -7.543 14.902 1.00 0.56 O ATOM 342 OD2 ASP A 21 -14.855 -8.905 16.327 1.00 1.12 O ATOM 0 H ASP A 21 -13.582 -6.525 16.027 1.00 0.01 H new ATOM 0 HA ASP A 21 -11.883 -7.500 13.742 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -14.050 -8.883 13.334 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -13.049 -9.365 14.690 1.00 0.12 H new ATOM 347 N CYS A 22 -13.132 -6.197 12.010 1.00 0.01 N ATOM 348 CA CYS A 22 -13.778 -5.272 11.027 1.00 0.00 C ATOM 349 C CYS A 22 -14.012 -6.008 9.706 1.00 0.02 C ATOM 350 O CYS A 22 -13.174 -6.757 9.238 1.00 0.01 O ATOM 351 CB CYS A 22 -12.864 -4.065 10.804 1.00 0.00 C ATOM 352 SG CYS A 22 -13.802 -2.740 10.002 1.00 0.02 S ATOM 0 H CYS A 22 -12.326 -6.709 11.651 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.739 -4.932 11.413 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.464 -3.717 11.756 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.013 -4.349 10.185 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.471 -2.672 8.747 1.00 0.02 H new ATOM 358 N ASP A 23 -15.160 -5.798 9.108 1.00 0.01 N ATOM 359 CA ASP A 23 -15.496 -6.476 7.815 1.00 0.02 C ATOM 360 C ASP A 23 -15.678 -5.424 6.721 1.00 0.00 C ATOM 361 O ASP A 23 -16.124 -5.718 5.629 1.00 0.02 O ATOM 362 CB ASP A 23 -16.795 -7.265 7.983 1.00 0.16 C ATOM 363 CG ASP A 23 -16.587 -8.374 9.016 1.00 0.17 C ATOM 364 OD1 ASP A 23 -16.042 -8.082 10.068 1.00 0.20 O ATOM 365 OD2 ASP A 23 -16.977 -9.497 8.738 1.00 0.17 O ATOM 0 H ASP A 23 -15.887 -5.178 9.465 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.689 -7.153 7.536 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.598 -6.601 8.303 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -17.098 -7.695 7.028 1.00 0.16 H new ATOM 370 N CYS A 24 -15.324 -4.201 7.001 1.00 0.01 N ATOM 371 CA CYS A 24 -15.461 -3.126 5.981 1.00 0.01 C ATOM 372 C CYS A 24 -14.509 -1.991 6.355 1.00 0.01 C ATOM 373 O CYS A 24 -13.879 -2.030 7.393 1.00 0.01 O ATOM 374 CB CYS A 24 -16.900 -2.610 5.961 1.00 0.62 C ATOM 375 SG CYS A 24 -17.307 -1.898 7.574 1.00 1.23 S ATOM 0 H CYS A 24 -14.944 -3.899 7.898 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.217 -3.512 4.991 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.018 -1.859 5.180 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.586 -3.424 5.727 1.00 0.62 H new ATOM 0 HG CYS A 24 -18.530 -1.457 7.558 1.00 1.23 H new ATOM 381 N ASP A 25 -14.381 -0.985 5.537 1.00 0.02 N ATOM 382 CA ASP A 25 -13.451 0.124 5.880 1.00 0.01 C ATOM 383 C ASP A 25 -13.886 0.804 7.180 1.00 0.02 C ATOM 384 O ASP A 25 -15.062 0.977 7.438 1.00 0.00 O ATOM 385 CB ASP A 25 -13.470 1.157 4.750 1.00 0.01 C ATOM 386 CG ASP A 25 -12.979 0.508 3.454 1.00 0.01 C ATOM 387 OD1 ASP A 25 -13.351 -0.628 3.207 1.00 0.01 O ATOM 388 OD2 ASP A 25 -12.240 1.155 2.732 1.00 0.01 O ATOM 0 H ASP A 25 -14.877 -0.883 4.651 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.448 -0.282 6.010 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -14.480 1.545 4.615 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -12.835 2.005 5.008 1.00 0.01 H new ATOM 393 N CYS A 26 -12.941 1.213 7.990 1.00 0.01 N ATOM 394 CA CYS A 26 -13.272 1.916 9.270 1.00 0.01 C ATOM 395 C CYS A 26 -12.414 3.179 9.367 1.00 0.01 C ATOM 396 O CYS A 26 -11.201 3.119 9.387 1.00 0.01 O ATOM 397 CB CYS A 26 -12.991 0.996 10.464 1.00 0.01 C ATOM 398 SG CYS A 26 -13.863 1.618 11.924 1.00 0.02 S ATOM 0 H CYS A 26 -11.943 1.089 7.818 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.329 2.183 9.284 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.316 -0.020 10.238 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -11.919 0.952 10.659 1.00 0.01 H new ATOM 0 HG CYS A 26 -14.131 0.629 12.723 1.00 0.02 H new ATOM 404 N ALA A 27 -13.033 4.329 9.388 1.00 0.01 N ATOM 405 CA ALA A 27 -12.246 5.592 9.440 1.00 0.01 C ATOM 406 C ALA A 27 -11.727 5.852 10.854 1.00 0.01 C ATOM 407 O ALA A 27 -10.732 6.520 11.045 1.00 0.02 O ATOM 408 CB ALA A 27 -13.129 6.761 8.998 1.00 0.24 C ATOM 0 H ALA A 27 -14.046 4.447 9.371 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.392 5.496 8.770 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.554 7.686 9.036 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.475 6.590 7.979 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -13.988 6.840 9.664 1.00 0.24 H new ATOM 414 N ASP A 28 -12.388 5.336 11.852 1.00 0.01 N ATOM 415 CA ASP A 28 -11.923 5.559 13.250 1.00 0.02 C ATOM 416 C ASP A 28 -12.421 4.407 14.125 1.00 0.01 C ATOM 417 O ASP A 28 -13.563 4.376 14.541 1.00 0.02 O ATOM 418 CB ASP A 28 -12.482 6.881 13.776 1.00 0.67 C ATOM 419 CG ASP A 28 -11.889 7.173 15.154 1.00 0.90 C ATOM 420 OD1 ASP A 28 -10.912 6.531 15.505 1.00 1.14 O ATOM 421 OD2 ASP A 28 -12.419 8.034 15.836 1.00 0.87 O ATOM 0 H ASP A 28 -13.231 4.769 11.760 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.834 5.600 13.274 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.242 7.690 13.086 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.569 6.829 13.840 1.00 0.67 H new ATOM 426 N PHE A 29 -11.561 3.465 14.413 1.00 0.02 N ATOM 427 CA PHE A 29 -11.948 2.301 15.272 1.00 0.02 C ATOM 428 C PHE A 29 -11.335 2.463 16.664 1.00 0.00 C ATOM 429 O PHE A 29 -11.335 1.560 17.478 1.00 0.02 O ATOM 430 CB PHE A 29 -11.483 0.993 14.626 1.00 2.87 C ATOM 431 CG PHE A 29 -9.984 0.980 14.485 1.00 3.99 C ATOM 432 CD1 PHE A 29 -9.383 1.592 13.380 1.00 4.52 C ATOM 433 CD2 PHE A 29 -9.197 0.341 15.449 1.00 4.68 C ATOM 434 CE1 PHE A 29 -7.993 1.566 13.241 1.00 5.75 C ATOM 435 CE2 PHE A 29 -7.807 0.313 15.307 1.00 5.85 C ATOM 436 CZ PHE A 29 -7.206 0.926 14.203 1.00 6.37 C ATOM 0 H PHE A 29 -10.595 3.451 14.087 1.00 0.02 H new ATOM 0 HA PHE A 29 -13.033 2.268 15.368 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.805 0.146 15.232 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.948 0.879 13.647 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.992 2.084 12.636 1.00 4.52 H new ATOM 0 HD2 PHE A 29 -9.663 -0.130 16.302 1.00 4.68 H new ATOM 0 HE1 PHE A 29 -7.526 2.040 12.390 1.00 5.75 H new ATOM 0 HE2 PHE A 29 -7.198 -0.181 16.049 1.00 5.85 H new ATOM 0 HZ PHE A 29 -6.132 0.905 14.093 1.00 6.37 H new ATOM 446 N ARG A 30 -10.785 3.619 16.922 1.00 0.01 N ATOM 447 CA ARG A 30 -10.137 3.887 18.236 1.00 0.00 C ATOM 448 C ARG A 30 -11.134 3.684 19.380 1.00 0.01 C ATOM 449 O ARG A 30 -10.749 3.436 20.506 1.00 0.02 O ATOM 450 CB ARG A 30 -9.632 5.335 18.269 1.00 0.32 C ATOM 451 CG ARG A 30 -8.604 5.568 17.142 1.00 0.86 C ATOM 452 CD ARG A 30 -7.198 5.176 17.615 1.00 1.62 C ATOM 453 NE ARG A 30 -6.697 6.190 18.584 1.00 2.25 N ATOM 454 CZ ARG A 30 -5.659 5.925 19.328 1.00 2.70 C ATOM 455 NH1 ARG A 30 -5.052 4.775 19.215 1.00 3.11 N ATOM 456 NH2 ARG A 30 -5.225 6.811 20.181 1.00 3.02 N ATOM 0 H ARG A 30 -10.758 4.400 16.267 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.305 3.193 18.361 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.470 6.023 18.154 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -9.176 5.547 19.236 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -8.877 4.981 16.265 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -8.615 6.616 16.841 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -7.222 4.192 18.083 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -6.522 5.108 16.762 1.00 1.62 H new ATOM 0 HE ARG A 30 -7.166 7.092 18.666 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -5.389 4.084 18.545 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -4.240 4.567 19.797 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -5.697 7.711 20.266 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -4.413 6.604 20.763 1.00 3.02 H new ATOM 470 N SER A 31 -12.408 3.798 19.119 1.00 0.02 N ATOM 471 CA SER A 31 -13.406 3.625 20.211 1.00 0.02 C ATOM 472 C SER A 31 -13.525 2.145 20.578 1.00 0.01 C ATOM 473 O SER A 31 -14.047 1.792 21.618 1.00 0.02 O ATOM 474 CB SER A 31 -14.767 4.139 19.736 1.00 0.37 C ATOM 475 OG SER A 31 -15.051 3.601 18.452 1.00 0.88 O ATOM 0 H SER A 31 -12.799 4.003 18.200 1.00 0.02 H new ATOM 0 HA SER A 31 -13.082 4.187 21.087 1.00 0.02 H new ATOM 0 HB2 SER A 31 -15.544 3.851 20.444 1.00 0.37 H new ATOM 0 HB3 SER A 31 -14.762 5.228 19.694 1.00 0.37 H new ATOM 0 HG SER A 31 -15.152 2.629 18.520 1.00 0.88 H new ATOM 481 N TYR A 32 -13.055 1.276 19.720 1.00 0.01 N ATOM 482 CA TYR A 32 -13.144 -0.191 19.989 1.00 0.01 C ATOM 483 C TYR A 32 -11.767 -0.722 20.379 1.00 0.02 C ATOM 484 O TYR A 32 -11.647 -1.768 20.989 1.00 0.02 O ATOM 485 CB TYR A 32 -13.609 -0.895 18.712 1.00 0.02 C ATOM 486 CG TYR A 32 -14.999 -0.422 18.348 1.00 0.02 C ATOM 487 CD1 TYR A 32 -16.096 -0.804 19.132 1.00 0.01 C ATOM 488 CD2 TYR A 32 -15.193 0.399 17.228 1.00 0.01 C ATOM 489 CE1 TYR A 32 -17.382 -0.370 18.794 1.00 0.00 C ATOM 490 CE2 TYR A 32 -16.480 0.834 16.893 1.00 0.02 C ATOM 491 CZ TYR A 32 -17.575 0.450 17.676 1.00 0.02 C ATOM 492 OH TYR A 32 -18.844 0.878 17.345 1.00 0.02 O ATOM 0 H TYR A 32 -12.609 1.523 18.836 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.847 -0.377 20.801 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.917 -0.684 17.896 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.609 -1.975 18.860 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -15.948 -1.433 19.997 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -14.349 0.696 16.624 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -18.227 -0.668 19.396 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -16.629 1.466 16.030 1.00 0.02 H new ATOM 0 HH TYR A 32 -18.801 1.440 16.543 1.00 0.02 H new ATOM 502 N LEU A 33 -10.719 -0.035 20.006 1.00 0.02 N ATOM 503 CA LEU A 33 -9.343 -0.522 20.324 1.00 0.02 C ATOM 504 C LEU A 33 -8.406 0.680 20.523 1.00 0.02 C ATOM 505 O LEU A 33 -8.312 1.557 19.690 1.00 0.02 O ATOM 506 CB LEU A 33 -8.853 -1.333 19.117 1.00 1.66 C ATOM 507 CG LEU A 33 -7.652 -2.223 19.513 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.138 -3.606 19.971 1.00 3.32 C ATOM 509 CD2 LEU A 33 -6.720 -2.392 18.308 1.00 2.80 C ATOM 0 H LEU A 33 -10.757 0.846 19.493 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.351 -1.126 21.231 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.663 -1.954 18.736 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.563 -0.658 18.312 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.117 -1.743 20.333 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -7.281 -4.220 20.246 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -8.795 -3.494 20.833 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -8.683 -4.087 19.159 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -5.874 -3.019 18.588 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -7.265 -2.862 17.489 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.357 -1.415 17.989 1.00 2.80 H new ATOM 521 N SER A 34 -7.733 0.724 21.645 1.00 0.02 N ATOM 522 CA SER A 34 -6.818 1.872 21.941 1.00 0.02 C ATOM 523 C SER A 34 -5.419 1.642 21.351 1.00 0.00 C ATOM 524 O SER A 34 -4.602 2.541 21.321 1.00 0.01 O ATOM 525 CB SER A 34 -6.706 2.035 23.457 1.00 0.02 C ATOM 526 OG SER A 34 -7.984 2.350 23.991 1.00 0.02 O ATOM 0 H SER A 34 -7.777 0.011 22.373 1.00 0.02 H new ATOM 0 HA SER A 34 -7.233 2.771 21.486 1.00 0.02 H new ATOM 0 HB2 SER A 34 -6.328 1.117 23.906 1.00 0.02 H new ATOM 0 HB3 SER A 34 -5.994 2.824 23.698 1.00 0.02 H new ATOM 0 HG SER A 34 -7.916 2.453 24.963 1.00 0.02 H new ATOM 532 N ARG A 35 -5.129 0.459 20.885 1.00 0.02 N ATOM 533 CA ARG A 35 -3.781 0.184 20.301 1.00 0.01 C ATOM 534 C ARG A 35 -3.831 -1.193 19.636 1.00 0.02 C ATOM 535 O ARG A 35 -4.685 -2.000 19.940 1.00 0.02 O ATOM 536 CB ARG A 35 -2.734 0.187 21.422 1.00 0.02 C ATOM 537 CG ARG A 35 -1.405 -0.384 20.908 1.00 0.02 C ATOM 538 CD ARG A 35 -0.279 -0.059 21.902 1.00 0.02 C ATOM 539 NE ARG A 35 0.809 -1.068 21.770 1.00 0.02 N ATOM 540 CZ ARG A 35 1.985 -0.829 22.284 1.00 0.02 C ATOM 541 NH1 ARG A 35 2.213 0.301 22.893 1.00 0.00 N ATOM 542 NH2 ARG A 35 2.932 -1.721 22.190 1.00 0.02 N ATOM 0 H ARG A 35 -5.769 -0.335 20.882 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.512 0.945 19.569 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -2.585 1.203 21.787 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -3.091 -0.405 22.265 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -1.488 -1.463 20.779 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -1.172 0.037 19.930 1.00 0.02 H new ATOM 0 HD2 ARG A 35 0.112 0.940 21.710 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -0.668 -0.059 22.920 1.00 0.02 H new ATOM 0 HE ARG A 35 0.635 -1.945 21.279 1.00 0.02 H new ATOM 0 HH11 ARG A 35 1.472 0.998 22.968 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.132 0.488 23.295 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.754 -2.606 21.715 1.00 0.02 H new ATOM 0 HH22 ARG A 35 3.851 -1.534 22.592 1.00 0.02 H new ATOM 556 N CYS A 36 -2.919 -1.484 18.739 1.00 0.02 N ATOM 557 CA CYS A 36 -2.911 -2.818 18.065 1.00 0.02 C ATOM 558 C CYS A 36 -1.462 -3.268 17.885 1.00 0.02 C ATOM 559 O CYS A 36 -0.727 -2.659 17.133 1.00 0.02 O ATOM 560 CB CYS A 36 -3.546 -2.688 16.685 1.00 0.02 C ATOM 561 SG CYS A 36 -2.793 -1.284 15.835 1.00 0.02 S ATOM 0 H CYS A 36 -2.176 -0.850 18.444 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.465 -3.538 18.667 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -3.395 -3.603 16.112 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -4.622 -2.542 16.776 1.00 0.02 H new ATOM 0 HG CYS A 36 -1.504 -1.319 15.997 1.00 0.02 H new ATOM 567 N ASN A 37 -1.026 -4.310 18.553 1.00 0.02 N ATOM 568 CA ASN A 37 0.400 -4.754 18.395 1.00 0.01 C ATOM 569 C ASN A 37 0.460 -6.069 17.619 1.00 0.02 C ATOM 570 O ASN A 37 1.515 -6.625 17.385 1.00 0.02 O ATOM 571 CB ASN A 37 1.046 -4.934 19.769 1.00 0.02 C ATOM 572 CG ASN A 37 0.335 -6.052 20.520 1.00 0.01 C ATOM 573 OD1 ASN A 37 0.862 -6.580 21.477 1.00 0.03 O ATOM 574 ND2 ASN A 37 -0.846 -6.437 20.123 1.00 0.02 N ATOM 0 H ASN A 37 -1.588 -4.869 19.195 1.00 0.02 H new ATOM 0 HA ASN A 37 0.945 -3.991 17.840 1.00 0.01 H new ATOM 0 HB2 ASN A 37 2.104 -5.172 19.657 1.00 0.02 H new ATOM 0 HB3 ASN A 37 0.986 -4.005 20.336 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -1.331 -7.185 20.618 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -1.284 -5.990 19.318 1.00 0.02 H new ATOM 581 N SER A 38 -0.678 -6.542 17.185 1.00 0.02 N ATOM 582 CA SER A 38 -0.738 -7.792 16.381 1.00 0.02 C ATOM 583 C SER A 38 -2.014 -7.744 15.545 1.00 0.01 C ATOM 584 O SER A 38 -2.979 -7.102 15.907 1.00 0.02 O ATOM 585 CB SER A 38 -0.749 -9.023 17.285 1.00 0.01 C ATOM 586 OG SER A 38 0.465 -9.075 18.020 1.00 0.02 O ATOM 0 H SER A 38 -1.583 -6.105 17.358 1.00 0.02 H new ATOM 0 HA SER A 38 0.141 -7.864 15.741 1.00 0.02 H new ATOM 0 HB2 SER A 38 -1.599 -8.981 17.966 1.00 0.01 H new ATOM 0 HB3 SER A 38 -0.865 -9.927 16.687 1.00 0.01 H new ATOM 0 HG SER A 38 0.757 -10.007 18.104 1.00 0.02 H new ATOM 592 N ILE A 39 -2.026 -8.400 14.416 1.00 0.02 N ATOM 593 CA ILE A 39 -3.238 -8.362 13.544 1.00 0.02 C ATOM 594 C ILE A 39 -3.406 -9.698 12.818 1.00 0.02 C ATOM 595 O ILE A 39 -2.451 -10.351 12.451 1.00 0.02 O ATOM 596 CB ILE A 39 -3.064 -7.256 12.499 1.00 0.00 C ATOM 597 CG1 ILE A 39 -2.569 -5.976 13.185 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.404 -6.982 11.813 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.548 -4.825 12.178 1.00 0.00 C ATOM 0 H ILE A 39 -1.251 -8.960 14.059 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.116 -8.172 14.161 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.335 -7.574 11.754 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.220 -5.726 14.023 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -1.570 -6.133 13.592 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.278 -6.195 11.070 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.755 -7.891 11.323 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.135 -6.665 12.557 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.196 -3.918 12.669 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.879 -5.074 11.354 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.554 -4.661 11.792 1.00 0.00 H new ATOM 611 N ARG A 40 -4.637 -10.073 12.569 1.00 0.02 N ATOM 612 CA ARG A 40 -4.930 -11.329 11.815 1.00 0.02 C ATOM 613 C ARG A 40 -5.813 -10.965 10.621 1.00 0.01 C ATOM 614 O ARG A 40 -6.877 -10.408 10.791 1.00 0.02 O ATOM 615 CB ARG A 40 -5.664 -12.348 12.689 1.00 0.01 C ATOM 616 CG ARG A 40 -5.911 -13.626 11.887 1.00 0.02 C ATOM 617 CD ARG A 40 -6.425 -14.722 12.821 1.00 0.02 C ATOM 618 NE ARG A 40 -7.559 -14.192 13.631 1.00 0.02 N ATOM 619 CZ ARG A 40 -8.345 -15.011 14.272 1.00 0.02 C ATOM 620 NH1 ARG A 40 -8.141 -16.297 14.208 1.00 0.02 N ATOM 621 NH2 ARG A 40 -9.339 -14.543 14.976 1.00 0.02 N ATOM 0 H ARG A 40 -5.464 -9.552 12.862 1.00 0.02 H new ATOM 0 HA ARG A 40 -3.991 -11.779 11.493 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.074 -12.572 13.578 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.612 -11.933 13.032 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.637 -13.437 11.096 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -4.989 -13.948 11.403 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -6.750 -15.586 12.241 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -5.623 -15.062 13.477 1.00 0.02 H new ATOM 0 HE ARG A 40 -7.720 -13.186 13.684 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -7.366 -16.664 13.656 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -8.757 -16.937 14.710 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -9.501 -13.537 15.024 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -9.954 -15.183 15.478 1.00 0.02 H new ATOM 635 N VAL A 41 -5.418 -11.324 9.426 1.00 0.02 N ATOM 636 CA VAL A 41 -6.279 -11.053 8.238 1.00 0.01 C ATOM 637 C VAL A 41 -6.867 -12.395 7.804 1.00 0.02 C ATOM 638 O VAL A 41 -6.151 -13.291 7.407 1.00 0.02 O ATOM 639 CB VAL A 41 -5.455 -10.429 7.116 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.396 -9.983 5.995 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.716 -9.204 7.661 1.00 0.00 C ATOM 0 H VAL A 41 -4.536 -11.793 9.223 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.073 -10.347 8.480 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.739 -11.156 6.734 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.815 -9.536 5.189 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -6.942 -10.846 5.613 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.102 -9.249 6.383 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.124 -8.752 6.865 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.439 -8.478 8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.057 -9.509 8.474 1.00 0.00 H new ATOM 651 N GLU A 42 -8.162 -12.546 7.917 1.00 0.01 N ATOM 652 CA GLU A 42 -8.801 -13.846 7.555 1.00 0.01 C ATOM 653 C GLU A 42 -9.036 -13.922 6.052 1.00 0.02 C ATOM 654 O GLU A 42 -8.959 -14.981 5.462 1.00 0.01 O ATOM 655 CB GLU A 42 -10.135 -13.982 8.293 1.00 0.99 C ATOM 656 CG GLU A 42 -10.596 -15.441 8.256 1.00 1.86 C ATOM 657 CD GLU A 42 -11.899 -15.585 9.044 1.00 3.10 C ATOM 658 OE1 GLU A 42 -12.881 -14.983 8.643 1.00 3.67 O ATOM 659 OE2 GLU A 42 -11.894 -16.296 10.035 1.00 3.81 O ATOM 0 H GLU A 42 -8.804 -11.824 8.245 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.137 -14.659 7.846 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.026 -13.651 9.326 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.885 -13.341 7.830 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -10.745 -15.760 7.225 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -9.828 -16.087 8.682 1.00 1.86 H new ATOM 666 N GLY A 43 -9.332 -12.826 5.420 1.00 0.01 N ATOM 667 CA GLY A 43 -9.580 -12.881 3.957 1.00 0.02 C ATOM 668 C GLY A 43 -9.500 -11.485 3.354 1.00 0.02 C ATOM 669 O GLY A 43 -9.798 -10.503 4.006 1.00 0.02 O ATOM 0 H GLY A 43 -9.413 -11.903 5.847 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -8.847 -13.532 3.481 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.562 -13.312 3.764 1.00 0.02 H new ATOM 673 N GLY A 44 -9.129 -11.388 2.110 1.00 0.00 N ATOM 674 CA GLY A 44 -9.057 -10.049 1.469 1.00 0.01 C ATOM 675 C GLY A 44 -7.732 -9.371 1.817 1.00 0.01 C ATOM 676 O GLY A 44 -6.965 -9.849 2.630 1.00 0.01 O ATOM 0 H GLY A 44 -8.874 -12.174 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.150 -10.149 0.388 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -9.890 -9.431 1.805 1.00 0.01 H new ATOM 680 N THR A 45 -7.490 -8.233 1.227 1.00 0.01 N ATOM 681 CA THR A 45 -6.250 -7.450 1.519 1.00 0.00 C ATOM 682 C THR A 45 -6.681 -6.199 2.291 1.00 0.01 C ATOM 683 O THR A 45 -7.837 -5.827 2.259 1.00 0.01 O ATOM 684 CB THR A 45 -5.543 -7.084 0.211 1.00 0.73 C ATOM 685 OG1 THR A 45 -5.044 -8.268 -0.393 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.380 -6.134 0.501 1.00 1.48 C ATOM 0 H THR A 45 -8.110 -7.802 0.541 1.00 0.01 H new ATOM 0 HA THR A 45 -5.543 -8.029 2.113 1.00 0.00 H new ATOM 0 HB THR A 45 -6.248 -6.594 -0.460 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.591 -8.041 -1.232 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.880 -5.876 -0.432 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.760 -5.227 0.972 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.671 -6.621 1.170 1.00 1.48 H new ATOM 694 N TRP A 46 -5.795 -5.534 2.986 1.00 0.02 N ATOM 695 CA TRP A 46 -6.232 -4.316 3.745 1.00 0.01 C ATOM 696 C TRP A 46 -5.116 -3.273 3.822 1.00 0.01 C ATOM 697 O TRP A 46 -3.950 -3.592 3.928 1.00 0.01 O ATOM 698 CB TRP A 46 -6.613 -4.726 5.171 1.00 0.00 C ATOM 699 CG TRP A 46 -7.896 -5.492 5.150 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.018 -6.796 4.812 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.237 -5.027 5.483 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.349 -7.161 4.913 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.140 -6.104 5.323 1.00 0.01 C ATOM 704 CE3 TRP A 46 -9.752 -3.787 5.903 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.506 -5.957 5.571 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.125 -3.635 6.153 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.000 -4.717 5.987 1.00 0.01 C ATOM 0 H TRP A 46 -4.806 -5.772 3.063 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.082 -3.878 3.222 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -5.822 -5.335 5.608 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.717 -3.841 5.798 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.209 -7.446 4.512 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.703 -8.096 4.710 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.087 -2.946 6.034 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.176 -6.794 5.443 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.509 -2.678 6.475 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.055 -4.593 6.180 1.00 0.01 H new ATOM 718 N ALA A 47 -5.495 -2.019 3.838 1.00 0.01 N ATOM 719 CA ALA A 47 -4.511 -0.909 3.992 1.00 0.01 C ATOM 720 C ALA A 47 -4.769 -0.327 5.380 1.00 0.01 C ATOM 721 O ALA A 47 -5.892 -0.039 5.740 1.00 0.01 O ATOM 722 CB ALA A 47 -4.740 0.155 2.913 1.00 0.24 C ATOM 0 H ALA A 47 -6.464 -1.715 3.749 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.484 -1.257 3.885 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -4.015 0.960 3.036 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.619 -0.294 1.927 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.749 0.557 3.007 1.00 0.24 H new ATOM 728 N VAL A 48 -3.729 -0.130 6.155 1.00 0.01 N ATOM 729 CA VAL A 48 -3.896 0.460 7.521 1.00 0.02 C ATOM 730 C VAL A 48 -3.146 1.790 7.595 1.00 0.01 C ATOM 731 O VAL A 48 -2.085 1.935 7.024 1.00 0.01 O ATOM 732 CB VAL A 48 -3.350 -0.505 8.577 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.227 -1.758 8.625 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.918 -0.900 8.216 1.00 0.65 C ATOM 0 H VAL A 48 -2.767 -0.354 5.899 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.955 0.630 7.713 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.358 -0.018 9.552 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.839 -2.445 9.377 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.248 -1.478 8.883 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.220 -2.245 7.650 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.530 -1.587 8.968 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.910 -1.387 7.241 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.292 -0.008 8.182 1.00 0.65 H new ATOM 744 N TYR A 49 -3.696 2.767 8.279 1.00 0.01 N ATOM 745 CA TYR A 49 -3.025 4.106 8.382 1.00 0.01 C ATOM 746 C TYR A 49 -2.773 4.443 9.849 1.00 0.01 C ATOM 747 O TYR A 49 -3.536 4.091 10.732 1.00 0.02 O ATOM 748 CB TYR A 49 -3.923 5.168 7.750 1.00 0.01 C ATOM 749 CG TYR A 49 -4.151 4.819 6.299 1.00 0.00 C ATOM 750 CD1 TYR A 49 -5.035 3.789 5.959 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.476 5.523 5.292 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.246 3.461 4.614 1.00 0.01 C ATOM 753 CE2 TYR A 49 -3.687 5.196 3.947 1.00 0.01 C ATOM 754 CZ TYR A 49 -4.571 4.164 3.609 1.00 0.02 C ATOM 755 OH TYR A 49 -4.778 3.841 2.284 1.00 0.01 O ATOM 0 H TYR A 49 -4.585 2.695 8.773 1.00 0.01 H new ATOM 0 HA TYR A 49 -2.070 4.080 7.856 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.875 5.219 8.279 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.459 6.151 7.832 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.555 3.246 6.735 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.793 6.318 5.554 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -5.929 2.666 4.352 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -3.168 5.739 3.171 1.00 0.01 H new ATOM 0 HH TYR A 49 -4.234 4.425 1.716 1.00 0.01 H new ATOM 765 N GLU A 50 -1.670 5.099 10.094 1.00 0.01 N ATOM 766 CA GLU A 50 -1.268 5.450 11.486 1.00 0.01 C ATOM 767 C GLU A 50 -2.269 6.404 12.141 1.00 0.01 C ATOM 768 O GLU A 50 -2.494 6.325 13.333 1.00 0.02 O ATOM 769 CB GLU A 50 0.108 6.118 11.435 1.00 0.02 C ATOM 770 CG GLU A 50 0.687 6.224 12.849 1.00 0.01 C ATOM 771 CD GLU A 50 2.150 6.663 12.766 1.00 0.02 C ATOM 772 OE1 GLU A 50 2.818 6.256 11.830 1.00 0.02 O ATOM 773 OE2 GLU A 50 2.577 7.400 13.639 1.00 0.01 O ATOM 0 H GLU A 50 -1.019 5.412 9.374 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.241 4.538 12.082 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.779 5.540 10.800 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.024 7.110 10.991 1.00 0.02 H new ATOM 0 HG2 GLU A 50 0.113 6.941 13.436 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.612 5.263 13.358 1.00 0.01 H new ATOM 780 N ARG A 51 -2.865 7.314 11.399 1.00 0.02 N ATOM 781 CA ARG A 51 -3.841 8.275 12.033 1.00 0.02 C ATOM 782 C ARG A 51 -5.161 8.252 11.237 1.00 0.01 C ATOM 783 O ARG A 51 -5.203 7.766 10.124 1.00 0.02 O ATOM 784 CB ARG A 51 -3.233 9.709 12.044 1.00 0.02 C ATOM 785 CG ARG A 51 -1.869 9.716 11.350 1.00 0.01 C ATOM 786 CD ARG A 51 -1.353 11.151 11.241 1.00 0.02 C ATOM 787 NE ARG A 51 -0.032 11.150 10.551 1.00 0.02 N ATOM 788 CZ ARG A 51 0.462 12.264 10.088 1.00 0.02 C ATOM 789 NH1 ARG A 51 -0.200 13.379 10.226 1.00 0.02 N ATOM 790 NH2 ARG A 51 1.619 12.262 9.482 1.00 0.01 N ATOM 0 H ARG A 51 -2.723 7.435 10.396 1.00 0.02 H new ATOM 0 HA ARG A 51 -4.041 7.977 13.062 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -3.908 10.401 11.540 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.127 10.058 13.071 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -1.161 9.107 11.912 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -1.953 9.273 10.358 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -2.064 11.764 10.688 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -1.257 11.591 12.234 1.00 0.02 H new ATOM 0 HE ARG A 51 0.485 10.278 10.441 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -1.105 13.380 10.697 1.00 0.02 H new ATOM 0 HH12 ARG A 51 0.187 14.250 9.863 1.00 0.02 H new ATOM 0 HH21 ARG A 51 2.135 11.389 9.371 1.00 0.01 H new ATOM 0 HH22 ARG A 51 2.006 13.133 9.119 1.00 0.01 H new ATOM 804 N PRO A 52 -6.238 8.761 11.809 1.00 0.02 N ATOM 805 CA PRO A 52 -7.561 8.760 11.117 1.00 0.02 C ATOM 806 C PRO A 52 -7.531 9.449 9.745 1.00 0.01 C ATOM 807 O PRO A 52 -6.607 10.153 9.391 1.00 0.02 O ATOM 808 CB PRO A 52 -8.470 9.514 12.114 1.00 0.02 C ATOM 809 CG PRO A 52 -7.605 10.016 13.285 1.00 0.01 C ATOM 810 CD PRO A 52 -6.217 9.363 13.179 1.00 0.01 C ATOM 0 HA PRO A 52 -7.903 7.751 10.885 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.960 10.352 11.619 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -9.257 8.855 12.481 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.517 11.102 13.253 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -8.072 9.762 14.237 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -5.416 10.095 13.287 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -6.065 8.608 13.950 1.00 0.01 H new ATOM 818 N ASN A 53 -8.591 9.259 9.007 1.00 0.02 N ATOM 819 CA ASN A 53 -8.743 9.898 7.666 1.00 0.02 C ATOM 820 C ASN A 53 -7.676 9.423 6.677 1.00 0.01 C ATOM 821 O ASN A 53 -7.213 10.168 5.837 1.00 0.01 O ATOM 822 CB ASN A 53 -8.657 11.418 7.826 1.00 0.01 C ATOM 823 CG ASN A 53 -9.188 12.095 6.559 1.00 0.02 C ATOM 824 OD1 ASN A 53 -8.432 12.403 5.660 1.00 0.02 O ATOM 825 ND2 ASN A 53 -10.466 12.340 6.451 1.00 0.01 N ATOM 0 H ASN A 53 -9.378 8.673 9.284 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.713 9.609 7.262 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -9.237 11.737 8.692 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -7.625 11.718 8.006 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -10.830 12.790 5.611 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -11.101 12.081 7.206 1.00 0.01 H new ATOM 832 N PHE A 54 -7.317 8.171 6.752 1.00 0.02 N ATOM 833 CA PHE A 54 -6.316 7.605 5.803 1.00 0.01 C ATOM 834 C PHE A 54 -5.123 8.552 5.633 1.00 0.01 C ATOM 835 O PHE A 54 -4.736 8.900 4.535 1.00 0.02 O ATOM 836 CB PHE A 54 -6.997 7.363 4.447 1.00 1.78 C ATOM 837 CG PHE A 54 -8.431 6.930 4.675 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.710 5.859 5.533 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.481 7.604 4.035 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.036 5.460 5.749 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.806 7.205 4.251 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.084 6.133 5.108 1.00 3.39 C ATOM 0 H PHE A 54 -7.679 7.508 7.438 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.939 6.664 6.203 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -6.971 8.273 3.847 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.459 6.597 3.889 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -7.903 5.340 6.029 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.268 8.432 3.375 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.250 4.633 6.410 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.614 7.724 3.756 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.106 5.825 5.275 1.00 3.39 H new ATOM 852 N SER A 55 -4.542 8.960 6.734 1.00 0.02 N ATOM 853 CA SER A 55 -3.363 9.883 6.693 1.00 0.02 C ATOM 854 C SER A 55 -2.207 9.281 7.500 1.00 0.01 C ATOM 855 O SER A 55 -2.391 8.361 8.278 1.00 0.01 O ATOM 856 CB SER A 55 -3.758 11.227 7.305 1.00 1.90 C ATOM 857 OG SER A 55 -4.905 11.730 6.632 1.00 2.33 O ATOM 0 H SER A 55 -4.838 8.690 7.672 1.00 0.02 H new ATOM 0 HA SER A 55 -3.047 10.024 5.659 1.00 0.02 H new ATOM 0 HB2 SER A 55 -3.969 11.108 8.368 1.00 1.90 H new ATOM 0 HB3 SER A 55 -2.933 11.935 7.221 1.00 1.90 H new ATOM 0 HG SER A 55 -5.567 11.014 6.534 1.00 2.33 H new ATOM 863 N GLY A 56 -1.014 9.786 7.309 1.00 0.02 N ATOM 864 CA GLY A 56 0.167 9.242 8.045 1.00 0.02 C ATOM 865 C GLY A 56 0.759 8.067 7.265 1.00 0.02 C ATOM 866 O GLY A 56 0.521 7.918 6.083 1.00 0.00 O ATOM 0 H GLY A 56 -0.807 10.555 6.672 1.00 0.02 H new ATOM 0 HA2 GLY A 56 0.918 10.021 8.175 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.131 8.917 9.042 1.00 0.02 H new ATOM 870 N HIS A 57 1.540 7.240 7.902 1.00 0.02 N ATOM 871 CA HIS A 57 2.147 6.095 7.169 1.00 0.02 C ATOM 872 C HIS A 57 1.069 5.078 6.808 1.00 0.01 C ATOM 873 O HIS A 57 0.207 4.765 7.611 1.00 0.01 O ATOM 874 CB HIS A 57 3.210 5.424 8.042 1.00 0.00 C ATOM 875 CG HIS A 57 4.049 4.512 7.187 1.00 0.01 C ATOM 876 ND1 HIS A 57 3.488 3.594 6.314 1.00 0.01 N ATOM 877 CD2 HIS A 57 5.408 4.380 7.050 1.00 0.01 C ATOM 878 CE1 HIS A 57 4.497 2.957 5.693 1.00 0.02 C ATOM 879 NE2 HIS A 57 5.688 3.396 6.105 1.00 0.01 N ATOM 0 H HIS A 57 1.783 7.306 8.890 1.00 0.02 H new ATOM 0 HA HIS A 57 2.611 6.467 6.256 1.00 0.02 H new ATOM 0 HB2 HIS A 57 3.838 6.179 8.515 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.735 4.857 8.843 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.147 4.951 7.592 1.00 0.01 H new ATOM 0 HE1 HIS A 57 4.360 2.184 4.951 1.00 0.02 H new ATOM 0 HE2 HIS A 57 6.606 3.079 5.794 1.00 0.01 H new ATOM 887 N MET A 58 1.124 4.548 5.606 1.00 0.02 N ATOM 888 CA MET A 58 0.118 3.530 5.168 1.00 0.02 C ATOM 889 C MET A 58 0.836 2.219 4.833 1.00 0.01 C ATOM 890 O MET A 58 1.869 2.209 4.195 1.00 0.01 O ATOM 891 CB MET A 58 -0.621 4.042 3.927 1.00 2.61 C ATOM 892 CG MET A 58 0.365 4.241 2.776 1.00 3.46 C ATOM 893 SD MET A 58 -0.420 5.237 1.483 1.00 4.50 S ATOM 894 CE MET A 58 -1.367 3.902 0.706 1.00 5.01 C ATOM 0 H MET A 58 1.829 4.781 4.906 1.00 0.02 H new ATOM 0 HA MET A 58 -0.600 3.357 5.970 1.00 0.02 H new ATOM 0 HB2 MET A 58 -1.394 3.332 3.635 1.00 2.61 H new ATOM 0 HB3 MET A 58 -1.122 4.983 4.154 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.267 4.736 3.136 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.671 3.276 2.373 1.00 3.46 H new ATOM 0 HE1 MET A 58 -2.128 4.328 0.053 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.696 3.274 0.120 1.00 5.01 H new ATOM 0 HE3 MET A 58 -1.847 3.299 1.477 1.00 5.01 H new ATOM 904 N TYR A 59 0.288 1.113 5.266 1.00 0.02 N ATOM 905 CA TYR A 59 0.909 -0.226 4.994 1.00 0.01 C ATOM 906 C TYR A 59 -0.151 -1.151 4.387 1.00 0.01 C ATOM 907 O TYR A 59 -1.290 -1.169 4.808 1.00 0.02 O ATOM 908 CB TYR A 59 1.386 -0.862 6.300 1.00 0.01 C ATOM 909 CG TYR A 59 2.538 -0.084 6.893 1.00 0.01 C ATOM 910 CD1 TYR A 59 2.289 1.008 7.732 1.00 0.01 C ATOM 911 CD2 TYR A 59 3.856 -0.471 6.621 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.357 1.715 8.297 1.00 0.01 C ATOM 913 CE2 TYR A 59 4.924 0.232 7.188 1.00 0.02 C ATOM 914 CZ TYR A 59 4.675 1.325 8.026 1.00 0.01 C ATOM 915 OH TYR A 59 5.729 2.019 8.586 1.00 0.01 O ATOM 0 H TYR A 59 -0.577 1.077 5.805 1.00 0.02 H new ATOM 0 HA TYR A 59 1.751 -0.091 4.316 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.562 -0.899 7.013 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.694 -1.891 6.116 1.00 0.01 H new ATOM 0 HD1 TYR A 59 1.273 1.305 7.944 1.00 0.01 H new ATOM 0 HD2 TYR A 59 4.048 -1.313 5.973 1.00 0.01 H new ATOM 0 HE1 TYR A 59 3.165 2.560 8.941 1.00 0.01 H new ATOM 0 HE2 TYR A 59 5.940 -0.068 6.979 1.00 0.02 H new ATOM 0 HH TYR A 59 6.446 2.113 7.925 1.00 0.01 H new ATOM 925 N ILE A 60 0.229 -1.934 3.406 1.00 0.02 N ATOM 926 CA ILE A 60 -0.735 -2.883 2.771 1.00 0.01 C ATOM 927 C ILE A 60 -0.554 -4.265 3.408 1.00 0.01 C ATOM 928 O ILE A 60 0.554 -4.742 3.557 1.00 0.01 O ATOM 929 CB ILE A 60 -0.468 -2.969 1.267 1.00 0.45 C ATOM 930 CG1 ILE A 60 -0.273 -1.560 0.692 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.655 -3.648 0.577 1.00 1.21 C ATOM 932 CD1 ILE A 60 -1.434 -0.654 1.119 1.00 1.72 C ATOM 0 H ILE A 60 1.172 -1.955 3.017 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.755 -2.532 2.926 1.00 0.01 H new ATOM 0 HB ILE A 60 0.436 -3.553 1.094 1.00 0.45 H new ATOM 0 HG12 ILE A 60 0.672 -1.143 1.041 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -0.218 -1.607 -0.396 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.466 -3.710 -0.495 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.785 -4.652 0.981 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.560 -3.066 0.753 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -1.287 0.344 0.706 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -2.372 -1.066 0.748 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -1.469 -0.595 2.207 1.00 1.72 H new ATOM 944 N LEU A 61 -1.629 -4.899 3.805 1.00 0.01 N ATOM 945 CA LEU A 61 -1.529 -6.246 4.462 1.00 0.01 C ATOM 946 C LEU A 61 -2.320 -7.310 3.655 1.00 0.01 C ATOM 947 O LEU A 61 -3.532 -7.259 3.621 1.00 0.00 O ATOM 948 CB LEU A 61 -2.136 -6.135 5.883 1.00 0.01 C ATOM 949 CG LEU A 61 -1.036 -5.857 6.925 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.692 -5.576 8.279 1.00 0.01 C ATOM 951 CD2 LEU A 61 -0.086 -7.075 7.045 1.00 0.01 C ATOM 0 H LEU A 61 -2.579 -4.542 3.703 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.484 -6.552 4.505 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.876 -5.335 5.906 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.657 -7.059 6.134 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.452 -4.993 6.610 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -0.920 -5.378 9.023 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.345 -4.708 8.194 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.278 -6.442 8.586 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.686 -6.863 7.785 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -0.655 -7.951 7.355 1.00 0.01 H new ATOM 0 HD23 LEU A 61 0.381 -7.269 6.079 1.00 0.01 H new ATOM 963 N PRO A 62 -1.674 -8.290 3.036 1.00 0.02 N ATOM 964 CA PRO A 62 -2.431 -9.347 2.307 1.00 0.01 C ATOM 965 C PRO A 62 -3.025 -10.355 3.305 1.00 0.00 C ATOM 966 O PRO A 62 -2.694 -10.344 4.473 1.00 0.02 O ATOM 967 CB PRO A 62 -1.343 -9.987 1.432 1.00 1.47 C ATOM 968 CG PRO A 62 0.026 -9.598 2.022 1.00 1.29 C ATOM 969 CD PRO A 62 -0.185 -8.420 2.993 1.00 0.82 C ATOM 0 HA PRO A 62 -3.277 -8.977 1.728 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.457 -11.071 1.413 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.428 -9.640 0.402 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.470 -10.446 2.544 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.716 -9.316 1.227 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.232 -8.628 3.978 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.291 -7.508 2.632 1.00 0.82 H new ATOM 977 N GLN A 63 -3.899 -11.221 2.866 1.00 0.02 N ATOM 978 CA GLN A 63 -4.502 -12.212 3.806 1.00 0.00 C ATOM 979 C GLN A 63 -3.398 -12.976 4.552 1.00 0.00 C ATOM 980 O GLN A 63 -2.388 -13.331 3.979 1.00 0.02 O ATOM 981 CB GLN A 63 -5.362 -13.211 3.014 1.00 1.27 C ATOM 982 CG GLN A 63 -4.636 -13.633 1.725 1.00 1.67 C ATOM 983 CD GLN A 63 -4.896 -12.612 0.613 1.00 2.43 C ATOM 984 OE1 GLN A 63 -6.009 -12.160 0.435 1.00 4.25 O ATOM 985 NE2 GLN A 63 -3.906 -12.228 -0.148 1.00 3.04 N ATOM 0 H GLN A 63 -4.221 -11.286 1.900 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.121 -11.681 4.530 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.570 -14.088 3.627 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -6.323 -12.759 2.767 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -3.565 -13.713 1.912 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -4.980 -14.619 1.411 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -2.971 -12.607 0.001 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -4.068 -11.549 -0.891 1.00 3.04 H new ATOM 994 N GLY A 64 -3.579 -13.244 5.825 1.00 0.02 N ATOM 995 CA GLY A 64 -2.527 -13.994 6.573 1.00 0.01 C ATOM 996 C GLY A 64 -2.618 -13.692 8.070 1.00 0.02 C ATOM 997 O GLY A 64 -3.491 -12.979 8.524 1.00 0.02 O ATOM 0 H GLY A 64 -4.400 -12.978 6.370 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.645 -15.064 6.404 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.541 -13.719 6.200 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.715 -14.241 8.845 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.723 -14.009 10.323 1.00 0.02 C ATOM 1003 C GLU A 65 -0.418 -13.337 10.744 1.00 0.02 C ATOM 1004 O GLU A 65 0.663 -13.782 10.412 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.843 -15.354 11.039 1.00 0.77 C ATOM 1006 CG GLU A 65 -2.123 -15.118 12.524 1.00 0.49 C ATOM 1007 CD GLU A 65 -1.916 -16.420 13.299 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -0.812 -16.938 13.265 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -2.864 -16.877 13.917 1.00 0.96 O ATOM 0 H GLU A 65 -0.965 -14.847 8.513 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.565 -13.368 10.586 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.646 -15.944 10.596 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -0.923 -15.926 10.918 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -1.460 -14.344 12.911 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -3.144 -14.761 12.660 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.525 -12.271 11.495 1.00 0.02 N ATOM 1017 CA TYR A 66 0.681 -11.539 11.988 1.00 0.02 C ATOM 1018 C TYR A 66 0.639 -11.538 13.529 1.00 0.02 C ATOM 1019 O TYR A 66 -0.042 -10.719 14.117 1.00 0.02 O ATOM 1020 CB TYR A 66 0.613 -10.099 11.473 1.00 0.01 C ATOM 1021 CG TYR A 66 0.641 -10.122 9.965 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.536 -10.360 9.247 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.845 -9.915 9.284 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.509 -10.391 7.849 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.874 -9.946 7.886 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.696 -10.184 7.168 1.00 0.02 C ATOM 1027 OH TYR A 66 0.723 -10.216 5.790 1.00 0.01 O ATOM 0 H TYR A 66 -1.414 -11.870 11.793 1.00 0.02 H new ATOM 0 HA TYR A 66 1.600 -12.011 11.640 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.297 -9.614 11.827 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.453 -9.520 11.858 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.466 -10.520 9.773 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.753 -9.731 9.838 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.418 -10.575 7.295 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.804 -9.786 7.361 1.00 0.02 H new ATOM 0 HH TYR A 66 1.637 -10.052 5.477 1.00 0.01 H new ATOM 1037 N PRO A 67 1.329 -12.451 14.192 1.00 0.01 N ATOM 1038 CA PRO A 67 1.291 -12.502 15.682 1.00 0.02 C ATOM 1039 C PRO A 67 1.967 -11.300 16.360 1.00 0.02 C ATOM 1040 O PRO A 67 1.923 -11.175 17.569 1.00 0.02 O ATOM 1041 CB PRO A 67 2.030 -13.821 16.003 1.00 0.02 C ATOM 1042 CG PRO A 67 2.556 -14.425 14.685 1.00 0.02 C ATOM 1043 CD PRO A 67 2.171 -13.485 13.524 1.00 0.01 C ATOM 0 HA PRO A 67 0.270 -12.462 16.061 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.856 -13.634 16.689 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.357 -14.521 16.497 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.638 -14.547 14.730 1.00 0.02 H new ATOM 0 HG3 PRO A 67 2.130 -15.416 14.527 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.050 -13.046 13.052 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.620 -14.012 12.745 1.00 0.01 H new ATOM 1051 N GLU A 68 2.570 -10.408 15.619 1.00 0.01 N ATOM 1052 CA GLU A 68 3.214 -9.226 16.264 1.00 0.01 C ATOM 1053 C GLU A 68 3.332 -8.116 15.220 1.00 0.03 C ATOM 1054 O GLU A 68 3.327 -8.353 14.029 1.00 0.02 O ATOM 1055 CB GLU A 68 4.616 -9.592 16.762 1.00 0.69 C ATOM 1056 CG GLU A 68 4.514 -10.540 17.960 1.00 1.09 C ATOM 1057 CD GLU A 68 5.868 -10.607 18.671 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.868 -10.353 18.021 1.00 1.55 O ATOM 1059 OE2 GLU A 68 5.880 -10.911 19.853 1.00 2.02 O ATOM 0 H GLU A 68 2.644 -10.446 14.602 1.00 0.01 H new ATOM 0 HA GLU A 68 2.612 -8.899 17.112 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.184 -10.065 15.961 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.157 -8.690 17.047 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.745 -10.191 18.650 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.216 -11.534 17.627 1.00 1.09 H new ATOM 1066 N TYR A 69 3.387 -6.896 15.672 1.00 0.02 N ATOM 1067 CA TYR A 69 3.439 -5.747 14.726 1.00 0.02 C ATOM 1068 C TYR A 69 4.672 -5.810 13.820 1.00 0.01 C ATOM 1069 O TYR A 69 4.609 -5.490 12.649 1.00 0.01 O ATOM 1070 CB TYR A 69 3.400 -4.432 15.511 1.00 0.02 C ATOM 1071 CG TYR A 69 4.678 -4.258 16.297 1.00 0.02 C ATOM 1072 CD1 TYR A 69 4.843 -4.915 17.523 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.696 -3.435 15.802 1.00 0.02 C ATOM 1074 CE1 TYR A 69 6.025 -4.745 18.255 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.878 -3.266 16.533 1.00 0.02 C ATOM 1076 CZ TYR A 69 7.042 -3.921 17.761 1.00 0.02 C ATOM 1077 OH TYR A 69 8.206 -3.751 18.484 1.00 0.01 O ATOM 0 H TYR A 69 3.398 -6.643 16.660 1.00 0.02 H new ATOM 0 HA TYR A 69 2.567 -5.801 14.075 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.268 -3.594 14.826 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.545 -4.428 16.187 1.00 0.02 H new ATOM 0 HD1 TYR A 69 4.059 -5.553 17.904 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.570 -2.930 14.856 1.00 0.02 H new ATOM 0 HE1 TYR A 69 6.151 -5.250 19.201 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.663 -2.631 16.151 1.00 0.02 H new ATOM 0 HH TYR A 69 8.808 -3.149 17.998 1.00 0.01 H new ATOM 1087 N GLN A 70 5.796 -6.213 14.350 1.00 0.01 N ATOM 1088 CA GLN A 70 7.033 -6.297 13.522 1.00 0.02 C ATOM 1089 C GLN A 70 6.831 -7.265 12.349 1.00 0.01 C ATOM 1090 O GLN A 70 7.484 -7.172 11.328 1.00 0.02 O ATOM 1091 CB GLN A 70 8.185 -6.806 14.392 1.00 0.01 C ATOM 1092 CG GLN A 70 8.292 -5.951 15.656 1.00 0.01 C ATOM 1093 CD GLN A 70 9.380 -6.520 16.571 1.00 0.02 C ATOM 1094 OE1 GLN A 70 10.552 -6.288 16.357 1.00 0.01 O ATOM 1095 NE2 GLN A 70 9.036 -7.260 17.591 1.00 0.02 N ATOM 0 H GLN A 70 5.910 -6.489 15.325 1.00 0.01 H new ATOM 0 HA GLN A 70 7.261 -5.306 13.130 1.00 0.02 H new ATOM 0 HB2 GLN A 70 8.018 -7.849 14.660 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.120 -6.766 13.834 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.528 -4.920 15.391 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.335 -5.935 16.178 1.00 0.01 H new ATOM 0 HE21 GLN A 70 8.051 -7.455 17.771 1.00 0.02 H new ATOM 0 HE22 GLN A 70 9.752 -7.643 18.208 1.00 0.02 H new ATOM 1104 N ARG A 71 5.913 -8.188 12.492 1.00 0.01 N ATOM 1105 CA ARG A 71 5.650 -9.160 11.393 1.00 0.02 C ATOM 1106 C ARG A 71 4.964 -8.422 10.244 1.00 0.01 C ATOM 1107 O ARG A 71 4.937 -8.867 9.113 1.00 0.02 O ATOM 1108 CB ARG A 71 4.748 -10.291 11.901 1.00 0.34 C ATOM 1109 CG ARG A 71 4.732 -11.452 10.891 1.00 0.72 C ATOM 1110 CD ARG A 71 6.002 -12.327 11.037 1.00 1.04 C ATOM 1111 NE ARG A 71 6.606 -12.590 9.689 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.870 -12.970 8.677 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.600 -13.215 8.841 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.412 -13.127 7.502 1.00 3.42 N ATOM 0 H ARG A 71 5.335 -8.308 13.324 1.00 0.01 H new ATOM 0 HA ARG A 71 6.589 -9.593 11.048 1.00 0.02 H new ATOM 0 HB2 ARG A 71 5.106 -10.645 12.868 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.735 -9.918 12.053 1.00 0.34 H new ATOM 0 HG2 ARG A 71 3.844 -12.064 11.048 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.672 -11.057 9.877 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.727 -11.825 11.677 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.749 -13.270 11.521 1.00 1.04 H new ATOM 0 HE ARG A 71 7.611 -12.470 9.559 1.00 1.67 H new ATOM 0 HH11 ARG A 71 4.175 -13.111 9.762 1.00 2.54 H new ATOM 0 HH12 ARG A 71 4.031 -13.511 8.048 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.409 -12.954 7.373 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.839 -13.423 6.712 1.00 3.42 H new ATOM 1128 N TRP A 72 4.413 -7.280 10.547 1.00 0.02 N ATOM 1129 CA TRP A 72 3.708 -6.456 9.524 1.00 0.01 C ATOM 1130 C TRP A 72 4.604 -5.253 9.208 1.00 0.01 C ATOM 1131 O TRP A 72 4.217 -4.318 8.536 1.00 0.02 O ATOM 1132 CB TRP A 72 2.355 -6.035 10.143 1.00 0.02 C ATOM 1133 CG TRP A 72 1.895 -4.696 9.657 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.614 -4.381 8.374 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.640 -3.498 10.440 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.211 -3.058 8.321 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.212 -2.471 9.571 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.744 -3.205 11.811 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.895 -1.196 10.043 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.425 -1.924 12.291 1.00 0.02 C ATOM 1141 CH2 TRP A 72 1.003 -0.922 11.408 1.00 0.02 C ATOM 0 H TRP A 72 4.422 -6.874 11.483 1.00 0.02 H new ATOM 0 HA TRP A 72 3.515 -6.989 8.593 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.600 -6.784 9.903 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.447 -6.012 11.229 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.691 -5.050 7.530 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.945 -2.575 7.463 1.00 0.02 H new ATOM 0 HE3 TRP A 72 2.071 -3.970 12.500 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.569 -0.428 9.358 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.506 -1.711 13.347 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.761 0.062 11.783 1.00 0.02 H new ATOM 1152 N MET A 73 5.810 -5.293 9.697 1.00 0.02 N ATOM 1153 CA MET A 73 6.774 -4.183 9.455 1.00 0.02 C ATOM 1154 C MET A 73 6.230 -2.869 10.026 1.00 0.01 C ATOM 1155 O MET A 73 6.634 -1.792 9.635 1.00 0.02 O ATOM 1156 CB MET A 73 7.012 -4.022 7.951 1.00 0.02 C ATOM 1157 CG MET A 73 7.195 -5.400 7.308 1.00 0.01 C ATOM 1158 SD MET A 73 7.759 -5.196 5.600 1.00 0.01 S ATOM 1159 CE MET A 73 7.005 -6.699 4.935 1.00 0.01 C ATOM 0 H MET A 73 6.175 -6.059 10.263 1.00 0.02 H new ATOM 0 HA MET A 73 7.714 -4.425 9.951 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.169 -3.505 7.493 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.896 -3.408 7.776 1.00 0.02 H new ATOM 0 HG2 MET A 73 7.920 -5.985 7.875 1.00 0.01 H new ATOM 0 HG3 MET A 73 6.255 -5.951 7.329 1.00 0.01 H new ATOM 0 HE1 MET A 73 7.229 -6.779 3.871 1.00 0.01 H new ATOM 0 HE2 MET A 73 7.406 -7.568 5.456 1.00 0.01 H new ATOM 0 HE3 MET A 73 5.925 -6.657 5.076 1.00 0.01 H new ATOM 1169 N GLY A 74 5.313 -2.956 10.958 1.00 0.02 N ATOM 1170 CA GLY A 74 4.742 -1.722 11.558 1.00 0.02 C ATOM 1171 C GLY A 74 5.864 -0.913 12.198 1.00 0.01 C ATOM 1172 O GLY A 74 6.777 -1.461 12.784 1.00 0.01 O ATOM 0 H GLY A 74 4.939 -3.831 11.326 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.240 -1.129 10.793 1.00 0.02 H new ATOM 0 HA3 GLY A 74 3.991 -1.980 12.305 1.00 0.02 H new ATOM 1176 N LEU A 75 5.788 0.387 12.131 1.00 0.02 N ATOM 1177 CA LEU A 75 6.841 1.216 12.785 1.00 0.02 C ATOM 1178 C LEU A 75 6.540 1.239 14.288 1.00 0.01 C ATOM 1179 O LEU A 75 7.427 1.323 15.114 1.00 0.02 O ATOM 1180 CB LEU A 75 6.821 2.635 12.201 1.00 0.55 C ATOM 1181 CG LEU A 75 8.023 3.442 12.727 1.00 0.58 C ATOM 1182 CD1 LEU A 75 9.306 3.052 11.975 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.756 4.937 12.524 1.00 0.42 C ATOM 0 H LEU A 75 5.050 0.908 11.657 1.00 0.02 H new ATOM 0 HA LEU A 75 7.833 0.800 12.610 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.853 2.589 11.112 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.891 3.135 12.472 1.00 0.55 H new ATOM 0 HG LEU A 75 8.155 3.224 13.787 1.00 0.58 H new ATOM 0 HD11 LEU A 75 10.144 3.632 12.360 1.00 0.98 H new ATOM 0 HD12 LEU A 75 9.503 1.990 12.119 1.00 0.98 H new ATOM 0 HD13 LEU A 75 9.181 3.257 10.912 1.00 0.98 H new ATOM 0 HD21 LEU A 75 8.605 5.512 12.895 1.00 0.42 H new ATOM 0 HD22 LEU A 75 7.616 5.141 11.462 1.00 0.42 H new ATOM 0 HD23 LEU A 75 6.857 5.223 13.070 1.00 0.42 H new ATOM 1195 N ASN A 76 5.283 1.130 14.642 1.00 0.01 N ATOM 1196 CA ASN A 76 4.866 1.101 16.070 1.00 0.02 C ATOM 1197 C ASN A 76 3.501 0.409 16.111 1.00 0.02 C ATOM 1198 O ASN A 76 3.054 -0.129 15.117 1.00 0.02 O ATOM 1199 CB ASN A 76 4.758 2.529 16.610 1.00 0.02 C ATOM 1200 CG ASN A 76 3.776 3.326 15.749 1.00 0.02 C ATOM 1201 OD1 ASN A 76 2.894 2.764 15.130 1.00 0.01 O ATOM 1202 ND2 ASN A 76 3.893 4.623 15.682 1.00 0.02 N ATOM 0 H ASN A 76 4.511 1.058 13.979 1.00 0.01 H new ATOM 0 HA ASN A 76 5.591 0.569 16.686 1.00 0.02 H new ATOM 0 HB2 ASN A 76 4.420 2.513 17.646 1.00 0.02 H new ATOM 0 HB3 ASN A 76 5.737 3.008 16.602 1.00 0.02 H new ATOM 0 HD21 ASN A 76 3.245 5.165 15.111 1.00 0.02 H new ATOM 0 HD22 ASN A 76 4.633 5.096 16.201 1.00 0.02 H new ATOM 1209 N ASP A 77 2.831 0.398 17.234 1.00 0.01 N ATOM 1210 CA ASP A 77 1.501 -0.285 17.306 1.00 0.01 C ATOM 1211 C ASP A 77 0.371 0.735 17.144 1.00 0.01 C ATOM 1212 O ASP A 77 -0.711 0.551 17.671 1.00 0.01 O ATOM 1213 CB ASP A 77 1.363 -0.959 18.670 1.00 0.01 C ATOM 1214 CG ASP A 77 2.411 -2.067 18.792 1.00 0.01 C ATOM 1215 OD1 ASP A 77 2.918 -2.487 17.766 1.00 0.01 O ATOM 1216 OD2 ASP A 77 2.687 -2.474 19.907 1.00 0.02 O ATOM 0 H ASP A 77 3.144 0.830 18.103 1.00 0.01 H new ATOM 0 HA ASP A 77 1.436 -1.023 16.506 1.00 0.01 H new ATOM 0 HB2 ASP A 77 1.496 -0.227 19.466 1.00 0.01 H new ATOM 0 HB3 ASP A 77 0.362 -1.375 18.784 1.00 0.01 H new ATOM 1221 N ARG A 78 0.615 1.822 16.449 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.445 2.867 16.286 1.00 0.01 C ATOM 1223 C ARG A 78 -1.168 2.734 14.942 1.00 0.02 C ATOM 1224 O ARG A 78 -0.567 2.815 13.889 1.00 0.02 O ATOM 1225 CB ARG A 78 0.193 4.253 16.386 1.00 0.43 C ATOM 1226 CG ARG A 78 -0.912 5.318 16.413 1.00 0.80 C ATOM 1227 CD ARG A 78 -0.313 6.721 16.665 1.00 1.00 C ATOM 1228 NE ARG A 78 -1.124 7.451 17.695 1.00 1.30 N ATOM 1229 CZ ARG A 78 -2.430 7.482 17.634 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -3.055 6.964 16.615 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -3.107 8.068 18.581 1.00 3.20 N ATOM 0 H ARG A 78 1.501 2.030 15.989 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.181 2.730 17.078 1.00 0.01 H new ATOM 0 HB2 ARG A 78 0.802 4.322 17.287 1.00 0.43 H new ATOM 0 HB3 ARG A 78 0.857 4.423 15.538 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -1.452 5.313 15.466 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -1.634 5.080 17.194 1.00 0.80 H new ATOM 0 HD2 ARG A 78 0.719 6.629 17.002 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -0.295 7.290 15.735 1.00 1.00 H new ATOM 0 HE ARG A 78 -0.647 7.932 18.458 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -2.526 6.531 15.858 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -4.074 6.992 16.574 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -2.618 8.500 19.365 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -4.126 8.095 18.538 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.464 2.592 14.975 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.266 2.522 13.714 1.00 0.01 C ATOM 1247 C LEU A 79 -4.582 3.256 13.982 1.00 0.01 C ATOM 1248 O LEU A 79 -5.305 2.926 14.901 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.554 1.063 13.325 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.302 0.390 12.726 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.659 -1.046 12.319 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.802 1.161 11.482 1.00 2.61 C ATOM 0 H LEU A 79 -3.012 2.520 15.832 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.716 2.977 12.891 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.884 0.508 14.203 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.369 1.030 12.602 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.510 0.391 13.475 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.781 -1.533 11.894 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.992 -1.601 13.196 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.458 -1.026 11.577 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -0.918 0.666 11.078 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.586 1.178 10.725 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.549 2.183 11.765 1.00 2.61 H new ATOM 1264 N GLY A 80 -4.876 4.283 13.222 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.121 5.083 13.468 1.00 0.02 C ATOM 1266 C GLY A 80 -7.198 4.805 12.416 1.00 0.02 C ATOM 1267 O GLY A 80 -8.355 5.117 12.624 1.00 0.01 O ATOM 0 H GLY A 80 -4.307 4.604 12.439 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.512 4.849 14.458 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -5.876 6.145 13.464 1.00 0.02 H new ATOM 1271 N SER A 81 -6.860 4.228 11.292 1.00 0.01 N ATOM 1272 CA SER A 81 -7.922 3.963 10.270 1.00 0.01 C ATOM 1273 C SER A 81 -7.515 2.803 9.371 1.00 0.02 C ATOM 1274 O SER A 81 -6.351 2.511 9.185 1.00 0.01 O ATOM 1275 CB SER A 81 -8.132 5.216 9.421 1.00 0.01 C ATOM 1276 OG SER A 81 -8.709 4.845 8.178 1.00 0.01 O ATOM 0 H SER A 81 -5.917 3.934 11.039 1.00 0.01 H new ATOM 0 HA SER A 81 -8.849 3.703 10.782 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.782 5.919 9.942 1.00 0.01 H new ATOM 0 HB3 SER A 81 -7.181 5.723 9.257 1.00 0.01 H new ATOM 0 HG SER A 81 -8.905 5.650 7.655 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.489 2.137 8.798 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.184 0.990 7.893 1.00 0.01 C ATOM 1284 C CYS A 82 -9.193 0.949 6.744 1.00 0.01 C ATOM 1285 O CYS A 82 -10.349 1.290 6.901 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.250 -0.322 8.677 1.00 0.01 C ATOM 1287 SG CYS A 82 -9.899 -0.515 9.395 1.00 0.02 S ATOM 0 H CYS A 82 -9.481 2.340 8.920 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.181 1.118 7.486 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -8.028 -1.162 8.019 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.496 -0.326 9.464 1.00 0.01 H new ATOM 0 HG CYS A 82 -9.955 -1.631 10.059 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.757 0.517 5.593 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.670 0.429 4.411 1.00 0.01 C ATOM 1295 C ARG A 83 -9.458 -0.916 3.725 1.00 0.01 C ATOM 1296 O ARG A 83 -8.346 -1.391 3.589 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.318 1.531 3.407 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.740 2.895 3.950 1.00 0.01 C ATOM 1299 CD ARG A 83 -9.675 3.927 2.821 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.426 3.723 2.032 1.00 0.01 N ATOM 1301 CZ ARG A 83 -8.303 4.267 0.851 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -9.274 4.986 0.359 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -7.210 4.088 0.160 1.00 0.01 N ATOM 0 H ARG A 83 -7.798 0.218 5.416 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.702 0.539 4.743 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.246 1.525 3.211 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -9.817 1.340 2.457 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.751 2.842 4.353 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -9.085 3.192 4.769 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -10.547 3.829 2.174 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -9.696 4.935 3.234 1.00 0.01 H new ATOM 0 HE ARG A 83 -7.668 3.158 2.415 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -10.130 5.124 0.897 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -9.177 5.411 -0.563 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -6.452 3.523 0.542 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -7.114 4.513 -0.762 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.519 -1.535 3.280 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.380 -2.843 2.595 1.00 0.01 C ATOM 1319 C ALA A 84 -9.883 -2.583 1.183 1.00 0.01 C ATOM 1320 O ALA A 84 -10.408 -1.753 0.467 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.737 -3.544 2.524 1.00 0.43 C ATOM 0 H ALA A 84 -11.474 -1.187 3.364 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.683 -3.477 3.143 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.625 -4.504 2.019 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.116 -3.707 3.533 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.439 -2.922 1.969 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.881 -3.299 0.773 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.341 -3.121 -0.599 1.00 0.01 C ATOM 1329 C VAL A 85 -9.054 -4.099 -1.536 1.00 0.01 C ATOM 1330 O VAL A 85 -9.061 -5.292 -1.312 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.840 -3.396 -0.578 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.262 -3.227 -1.980 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.161 -2.410 0.375 1.00 1.12 C ATOM 0 H VAL A 85 -8.407 -4.007 1.334 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.508 -2.103 -0.952 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.664 -4.417 -0.240 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.190 -3.425 -1.958 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.746 -3.928 -2.660 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.436 -2.208 -2.325 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -5.088 -2.602 0.394 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.341 -1.391 0.033 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.569 -2.534 1.378 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.660 -3.608 -2.584 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.376 -4.512 -3.533 1.00 0.01 C ATOM 1345 C HIS A 86 -9.410 -4.926 -4.639 1.00 0.01 C ATOM 1346 O HIS A 86 -8.667 -4.126 -5.167 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.562 -3.766 -4.148 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.326 -3.063 -3.057 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -13.073 -1.919 -3.293 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -12.463 -3.331 -1.717 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -13.621 -1.546 -2.121 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.282 -2.372 -1.129 1.00 1.71 N ATOM 0 H HIS A 86 -9.691 -2.617 -2.825 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.738 -5.394 -3.005 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.210 -3.044 -4.885 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.214 -4.465 -4.672 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -12.005 -4.160 -1.198 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -14.258 -0.683 -1.998 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -13.563 -2.313 -0.150 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.418 -6.185 -4.986 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.504 -6.691 -6.054 1.00 0.01 C ATOM 1362 C LEU A 87 -9.299 -6.800 -7.358 1.00 0.01 C ATOM 1363 O LEU A 87 -10.411 -7.288 -7.374 1.00 0.01 O ATOM 1364 CB LEU A 87 -7.972 -8.092 -5.650 1.00 0.67 C ATOM 1365 CG LEU A 87 -8.036 -8.286 -4.125 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.543 -9.691 -3.778 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -7.146 -7.260 -3.419 1.00 1.34 C ATOM 0 H LEU A 87 -10.025 -6.893 -4.572 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.661 -6.012 -6.186 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.561 -8.865 -6.144 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -6.944 -8.207 -5.992 1.00 0.67 H new ATOM 0 HG LEU A 87 -9.066 -8.152 -3.795 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -7.586 -9.835 -2.698 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -8.176 -10.430 -4.268 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.515 -9.811 -4.120 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -7.202 -7.410 -2.341 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -6.115 -7.384 -3.750 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.486 -6.254 -3.663 1.00 1.34 H new ATOM 1379 N SER A 88 -8.722 -6.382 -8.456 1.00 0.01 N ATOM 1380 CA SER A 88 -9.409 -6.486 -9.777 1.00 0.01 C ATOM 1381 C SER A 88 -8.683 -7.535 -10.618 1.00 0.01 C ATOM 1382 O SER A 88 -7.494 -7.419 -10.838 1.00 0.01 O ATOM 1383 CB SER A 88 -9.361 -5.134 -10.496 1.00 0.81 C ATOM 1384 OG SER A 88 -9.681 -4.098 -9.576 1.00 1.08 O ATOM 0 H SER A 88 -7.791 -5.967 -8.492 1.00 0.01 H new ATOM 0 HA SER A 88 -10.451 -6.772 -9.632 1.00 0.01 H new ATOM 0 HB2 SER A 88 -8.369 -4.968 -10.917 1.00 0.81 H new ATOM 0 HB3 SER A 88 -10.065 -5.127 -11.328 1.00 0.81 H new ATOM 0 HG SER A 88 -9.649 -3.232 -10.034 1.00 1.08 H new ATOM 1390 N SER A 89 -9.365 -8.524 -11.139 1.00 0.01 N ATOM 1391 CA SER A 89 -8.674 -9.521 -12.015 1.00 0.01 C ATOM 1392 C SER A 89 -9.065 -9.177 -13.448 1.00 0.01 C ATOM 1393 O SER A 89 -9.439 -8.050 -13.713 1.00 0.01 O ATOM 1394 CB SER A 89 -9.151 -10.934 -11.676 1.00 0.43 C ATOM 1395 OG SER A 89 -8.832 -11.223 -10.323 1.00 1.26 O ATOM 0 H SER A 89 -10.362 -8.684 -10.998 1.00 0.01 H new ATOM 0 HA SER A 89 -7.593 -9.487 -11.876 1.00 0.01 H new ATOM 0 HB2 SER A 89 -10.226 -11.015 -11.834 1.00 0.43 H new ATOM 0 HB3 SER A 89 -8.676 -11.659 -12.337 1.00 0.43 H new ATOM 0 HG SER A 89 -9.138 -12.127 -10.101 1.00 1.26 H new ATOM 1401 N GLY A 90 -9.040 -10.105 -14.374 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.471 -9.772 -15.769 1.00 0.00 C ATOM 1403 C GLY A 90 -8.529 -10.360 -16.820 1.00 0.00 C ATOM 1404 O GLY A 90 -8.971 -10.974 -17.769 1.00 0.01 O ATOM 0 H GLY A 90 -8.743 -11.070 -14.227 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.480 -10.150 -15.936 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.513 -8.689 -15.886 1.00 0.00 H new ATOM 1408 N GLY A 91 -7.239 -10.198 -16.678 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.333 -10.784 -17.703 1.00 0.00 C ATOM 1410 C GLY A 91 -4.862 -10.459 -17.420 1.00 0.00 C ATOM 1411 O GLY A 91 -4.233 -11.109 -16.608 1.00 0.01 O ATOM 0 H GLY A 91 -6.784 -9.697 -15.915 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.467 -11.865 -17.730 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.606 -10.404 -18.688 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.303 -9.478 -18.090 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.856 -9.128 -17.870 1.00 2.31 C ATOM 1417 C GLN A 92 -2.719 -7.671 -17.422 1.00 1.91 C ATOM 1418 O GLN A 92 -3.097 -6.746 -18.115 1.00 2.31 O ATOM 1419 CB GLN A 92 -2.086 -9.363 -19.172 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.583 -9.348 -18.888 1.00 2.86 C ATOM 1421 CD GLN A 92 0.185 -9.575 -20.190 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -0.314 -10.209 -21.099 1.00 3.99 O ATOM 1423 NE2 GLN A 92 1.387 -9.080 -20.318 1.00 4.43 N ATOM 0 H GLN A 92 -4.784 -8.902 -18.781 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.444 -9.760 -17.084 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.374 -10.319 -19.610 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.337 -8.591 -19.899 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.295 -8.394 -18.445 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -0.331 -10.124 -18.165 1.00 2.86 H new ATOM 0 HE21 GLN A 92 1.804 -8.548 -19.554 1.00 4.43 H new ATOM 0 HE22 GLN A 92 1.909 -9.225 -21.182 1.00 4.43 H new ATOM 1432 N ALA A 93 -2.176 -7.479 -16.249 1.00 0.01 N ATOM 1433 CA ALA A 93 -2.004 -6.093 -15.727 1.00 0.01 C ATOM 1434 C ALA A 93 -0.803 -5.446 -16.419 1.00 0.01 C ATOM 1435 O ALA A 93 0.271 -6.012 -16.477 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.757 -6.137 -14.218 1.00 2.99 C ATOM 0 H ALA A 93 -1.845 -8.220 -15.632 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.905 -5.513 -15.926 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.632 -5.122 -13.840 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.608 -6.606 -13.724 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.855 -6.714 -14.014 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.981 -4.264 -16.952 1.00 0.00 N ATOM 1443 CA LYS A 94 0.136 -3.558 -17.656 1.00 0.01 C ATOM 1444 C LYS A 94 0.245 -2.129 -17.118 1.00 0.01 C ATOM 1445 O LYS A 94 -0.750 -1.483 -16.855 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.189 -3.532 -19.151 1.00 2.49 C ATOM 1447 CG LYS A 94 0.998 -2.951 -19.924 1.00 3.43 C ATOM 1448 CD LYS A 94 0.831 -3.241 -21.419 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.392 -2.498 -21.967 1.00 5.23 C ATOM 1450 NZ LYS A 94 -1.628 -3.262 -21.635 1.00 6.36 N ATOM 0 H LYS A 94 -1.862 -3.751 -16.930 1.00 0.00 H new ATOM 0 HA LYS A 94 1.084 -4.070 -17.490 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.407 -4.540 -19.504 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -1.081 -2.932 -19.329 1.00 2.49 H new ATOM 0 HG2 LYS A 94 1.062 -1.876 -19.757 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.929 -3.386 -19.561 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.726 -2.932 -21.959 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.716 -4.313 -21.579 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -0.445 -1.497 -21.539 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -0.305 -2.379 -23.047 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -2.204 -3.379 -22.493 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -1.368 -4.197 -21.262 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -2.175 -2.743 -20.919 1.00 6.36 H new ATOM 1464 N ILE A 95 1.450 -1.634 -16.938 1.00 0.00 N ATOM 1465 CA ILE A 95 1.629 -0.243 -16.405 1.00 0.01 C ATOM 1466 C ILE A 95 2.600 0.534 -17.296 1.00 0.01 C ATOM 1467 O ILE A 95 3.575 0.002 -17.798 1.00 0.01 O ATOM 1468 CB ILE A 95 2.188 -0.314 -14.980 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.531 1.096 -14.489 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.448 -1.179 -14.966 1.00 0.36 C ATOM 1471 CD1 ILE A 95 2.756 1.071 -12.976 1.00 1.09 C ATOM 0 H ILE A 95 2.317 -2.134 -17.137 1.00 0.00 H new ATOM 0 HA ILE A 95 0.666 0.267 -16.397 1.00 0.01 H new ATOM 0 HB ILE A 95 1.439 -0.753 -14.322 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.426 1.460 -14.994 1.00 0.30 H new ATOM 0 HG13 ILE A 95 1.723 1.785 -14.735 1.00 0.30 H new ATOM 0 HG21 ILE A 95 3.844 -1.228 -13.952 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.203 -2.184 -15.309 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.197 -0.742 -15.627 1.00 0.36 H new ATOM 0 HD11 ILE A 95 3.000 2.075 -12.628 1.00 1.09 H new ATOM 0 HD12 ILE A 95 1.850 0.725 -12.479 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.579 0.396 -12.742 1.00 1.09 H new ATOM 1483 N GLN A 96 2.358 1.816 -17.446 1.00 0.01 N ATOM 1484 CA GLN A 96 3.272 2.693 -18.243 1.00 0.01 C ATOM 1485 C GLN A 96 3.761 3.810 -17.315 1.00 0.01 C ATOM 1486 O GLN A 96 2.982 4.391 -16.586 1.00 0.00 O ATOM 1487 CB GLN A 96 2.535 3.276 -19.453 1.00 0.53 C ATOM 1488 CG GLN A 96 1.111 3.647 -19.065 1.00 0.82 C ATOM 1489 CD GLN A 96 0.481 4.493 -20.174 1.00 1.25 C ATOM 1490 OE1 GLN A 96 0.751 5.674 -20.282 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -0.353 3.937 -21.008 1.00 2.05 N ATOM 0 H GLN A 96 1.554 2.297 -17.043 1.00 0.01 H new ATOM 0 HA GLN A 96 4.117 2.120 -18.624 1.00 0.01 H new ATOM 0 HB2 GLN A 96 3.062 4.157 -19.821 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.522 2.550 -20.266 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.521 2.745 -18.902 1.00 0.82 H new ATOM 0 HG3 GLN A 96 1.112 4.201 -18.127 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -0.580 2.947 -20.918 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -0.778 4.492 -21.750 1.00 2.05 H new ATOM 1500 N VAL A 97 5.033 4.118 -17.319 1.00 0.01 N ATOM 1501 CA VAL A 97 5.559 5.201 -16.420 1.00 0.01 C ATOM 1502 C VAL A 97 6.301 6.242 -17.255 1.00 0.01 C ATOM 1503 O VAL A 97 6.898 5.929 -18.267 1.00 0.01 O ATOM 1504 CB VAL A 97 6.526 4.591 -15.402 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.787 3.559 -14.548 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.680 3.912 -16.144 1.00 1.03 C ATOM 0 H VAL A 97 5.735 3.667 -17.906 1.00 0.01 H new ATOM 0 HA VAL A 97 4.727 5.675 -15.899 1.00 0.01 H new ATOM 0 HB VAL A 97 6.920 5.376 -14.757 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.476 3.125 -13.824 1.00 1.10 H new ATOM 0 HG12 VAL A 97 4.965 4.044 -14.021 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.392 2.771 -15.190 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.371 3.476 -15.422 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.286 3.126 -16.789 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.206 4.649 -16.751 1.00 1.03 H new ATOM 1516 N PHE A 98 6.246 7.485 -16.838 1.00 0.01 N ATOM 1517 CA PHE A 98 6.924 8.580 -17.609 1.00 0.01 C ATOM 1518 C PHE A 98 7.986 9.278 -16.754 1.00 0.01 C ATOM 1519 O PHE A 98 7.833 9.471 -15.563 1.00 0.01 O ATOM 1520 CB PHE A 98 5.877 9.596 -18.054 1.00 0.25 C ATOM 1521 CG PHE A 98 4.883 8.917 -18.966 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.860 8.134 -18.421 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.979 9.078 -20.354 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.932 7.509 -19.262 1.00 0.56 C ATOM 1525 CE2 PHE A 98 4.050 8.455 -21.195 1.00 0.73 C ATOM 1526 CZ PHE A 98 3.026 7.670 -20.650 1.00 0.69 C ATOM 0 H PHE A 98 5.760 7.791 -15.995 1.00 0.01 H new ATOM 0 HA PHE A 98 7.419 8.144 -18.477 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.366 10.014 -17.186 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.356 10.427 -18.572 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.786 8.012 -17.351 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.769 9.682 -20.775 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.144 6.903 -18.841 1.00 0.56 H new ATOM 0 HE2 PHE A 98 4.123 8.580 -22.265 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.310 7.189 -21.300 1.00 0.69 H new ATOM 1536 N GLU A 99 9.078 9.619 -17.377 1.00 0.01 N ATOM 1537 CA GLU A 99 10.200 10.271 -16.643 1.00 0.01 C ATOM 1538 C GLU A 99 9.803 11.663 -16.138 1.00 0.01 C ATOM 1539 O GLU A 99 10.318 12.122 -15.139 1.00 0.01 O ATOM 1540 CB GLU A 99 11.409 10.396 -17.571 1.00 0.01 C ATOM 1541 CG GLU A 99 12.599 10.957 -16.788 1.00 0.01 C ATOM 1542 CD GLU A 99 13.886 10.734 -17.586 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.783 10.443 -18.766 1.00 0.02 O ATOM 1544 OE2 GLU A 99 14.950 10.856 -17.003 1.00 0.01 O ATOM 0 H GLU A 99 9.244 9.473 -18.373 1.00 0.01 H new ATOM 0 HA GLU A 99 10.448 9.652 -15.781 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.662 9.422 -17.989 1.00 0.01 H new ATOM 0 HB3 GLU A 99 11.171 11.050 -18.410 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.455 12.021 -16.600 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.672 10.468 -15.816 1.00 0.01 H new ATOM 1551 N LYS A 100 8.907 12.345 -16.816 1.00 0.01 N ATOM 1552 CA LYS A 100 8.496 13.720 -16.367 1.00 0.01 C ATOM 1553 C LYS A 100 7.012 13.737 -15.983 1.00 0.01 C ATOM 1554 O LYS A 100 6.282 12.794 -16.219 1.00 0.01 O ATOM 1555 CB LYS A 100 8.735 14.720 -17.500 1.00 0.94 C ATOM 1556 CG LYS A 100 10.208 14.682 -17.913 1.00 1.63 C ATOM 1557 CD LYS A 100 10.385 15.407 -19.247 1.00 2.19 C ATOM 1558 CE LYS A 100 11.847 15.316 -19.689 1.00 2.84 C ATOM 1559 NZ LYS A 100 11.957 15.692 -21.127 1.00 3.18 N ATOM 0 H LYS A 100 8.442 12.011 -17.660 1.00 0.01 H new ATOM 0 HA LYS A 100 9.091 13.996 -15.496 1.00 0.01 H new ATOM 0 HB2 LYS A 100 8.101 14.478 -18.353 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.463 15.725 -17.176 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.823 15.154 -17.147 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.545 13.649 -18.001 1.00 1.63 H new ATOM 0 HD2 LYS A 100 9.737 14.963 -20.003 1.00 2.19 H new ATOM 0 HD3 LYS A 100 10.089 16.451 -19.147 1.00 2.19 H new ATOM 0 HE2 LYS A 100 12.463 15.978 -19.081 1.00 2.84 H new ATOM 0 HE3 LYS A 100 12.221 14.304 -19.537 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 12.869 15.363 -21.503 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 11.182 15.250 -21.662 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 11.897 16.726 -21.221 1.00 3.18 H new ATOM 1573 N GLY A 101 6.574 14.809 -15.379 1.00 0.01 N ATOM 1574 CA GLY A 101 5.148 14.919 -14.950 1.00 0.01 C ATOM 1575 C GLY A 101 4.221 15.053 -16.163 1.00 0.00 C ATOM 1576 O GLY A 101 4.644 15.354 -17.262 1.00 0.01 O ATOM 0 H GLY A 101 7.149 15.623 -15.162 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.870 14.039 -14.370 1.00 0.01 H new ATOM 0 HA3 GLY A 101 5.026 15.783 -14.297 1.00 0.01 H new ATOM 1580 N ASP A 102 2.948 14.855 -15.945 1.00 0.01 N ATOM 1581 CA ASP A 102 1.942 14.989 -17.041 1.00 0.00 C ATOM 1582 C ASP A 102 2.269 14.063 -18.213 1.00 0.00 C ATOM 1583 O ASP A 102 2.072 14.397 -19.363 1.00 0.01 O ATOM 1584 CB ASP A 102 1.919 16.439 -17.529 1.00 0.01 C ATOM 1585 CG ASP A 102 1.856 17.380 -16.324 1.00 0.01 C ATOM 1586 OD1 ASP A 102 2.854 17.490 -15.630 1.00 0.01 O ATOM 1587 OD2 ASP A 102 0.811 17.972 -16.115 1.00 0.01 O ATOM 0 H ASP A 102 2.556 14.602 -15.038 1.00 0.01 H new ATOM 0 HA ASP A 102 0.966 14.707 -16.647 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.809 16.649 -18.122 1.00 0.01 H new ATOM 0 HB3 ASP A 102 1.058 16.602 -18.177 1.00 0.01 H new ATOM 1592 N PHE A 103 2.738 12.887 -17.915 1.00 0.01 N ATOM 1593 CA PHE A 103 3.051 11.900 -18.986 1.00 0.01 C ATOM 1594 C PHE A 103 3.952 12.507 -20.061 1.00 0.00 C ATOM 1595 O PHE A 103 3.642 12.461 -21.235 1.00 0.01 O ATOM 1596 CB PHE A 103 1.749 11.420 -19.629 1.00 0.01 C ATOM 1597 CG PHE A 103 0.722 11.150 -18.553 1.00 0.00 C ATOM 1598 CD1 PHE A 103 1.005 10.241 -17.524 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.518 11.805 -18.583 1.00 0.01 C ATOM 1600 CE1 PHE A 103 0.055 9.989 -16.529 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.467 11.552 -17.588 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.180 10.645 -16.560 1.00 0.01 C ATOM 0 H PHE A 103 2.920 12.562 -16.965 1.00 0.01 H new ATOM 0 HA PHE A 103 3.581 11.063 -18.532 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.375 12.173 -20.322 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.930 10.515 -20.209 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.958 9.734 -17.500 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.740 12.505 -19.375 1.00 0.01 H new ATOM 0 HE1 PHE A 103 0.275 9.288 -15.737 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.422 12.056 -17.612 1.00 0.01 H new ATOM 0 HZ PHE A 103 -1.913 10.452 -15.791 1.00 0.01 H new ATOM 1612 N ASN A 104 5.081 13.044 -19.675 1.00 0.00 N ATOM 1613 CA ASN A 104 6.038 13.625 -20.669 1.00 0.01 C ATOM 1614 C ASN A 104 7.419 13.024 -20.401 1.00 0.01 C ATOM 1615 O ASN A 104 7.646 12.415 -19.374 1.00 0.01 O ATOM 1616 CB ASN A 104 6.101 15.145 -20.504 1.00 1.68 C ATOM 1617 CG ASN A 104 4.771 15.760 -20.946 1.00 2.31 C ATOM 1618 OD1 ASN A 104 4.021 15.152 -21.683 1.00 3.15 O ATOM 1619 ND2 ASN A 104 4.443 16.948 -20.520 1.00 2.38 N ATOM 0 H ASN A 104 5.385 13.106 -18.703 1.00 0.00 H new ATOM 0 HA ASN A 104 5.711 13.397 -21.684 1.00 0.01 H new ATOM 0 HB2 ASN A 104 6.305 15.401 -19.464 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.918 15.553 -21.099 1.00 1.68 H new ATOM 0 HD21 ASN A 104 3.557 17.366 -20.806 1.00 2.38 H new ATOM 0 HD22 ASN A 104 5.072 17.460 -19.901 1.00 2.38 H new ATOM 1626 N GLY A 105 8.339 13.166 -21.317 1.00 0.01 N ATOM 1627 CA GLY A 105 9.699 12.584 -21.107 1.00 0.01 C ATOM 1628 C GLY A 105 9.741 11.177 -21.701 1.00 0.01 C ATOM 1629 O GLY A 105 8.877 10.796 -22.465 1.00 0.01 O ATOM 0 H GLY A 105 8.209 13.659 -22.201 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.454 13.213 -21.579 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.932 12.549 -20.043 1.00 0.01 H new ATOM 1633 N GLN A 106 10.722 10.394 -21.353 1.00 0.01 N ATOM 1634 CA GLN A 106 10.789 9.012 -21.897 1.00 0.01 C ATOM 1635 C GLN A 106 9.747 8.150 -21.180 1.00 0.01 C ATOM 1636 O GLN A 106 9.481 8.319 -20.006 1.00 0.01 O ATOM 1637 CB GLN A 106 12.188 8.437 -21.658 1.00 0.01 C ATOM 1638 CG GLN A 106 12.384 7.196 -22.529 1.00 0.01 C ATOM 1639 CD GLN A 106 13.635 6.445 -22.074 1.00 0.01 C ATOM 1640 OE1 GLN A 106 14.249 6.803 -21.088 1.00 0.01 O ATOM 1641 NE2 GLN A 106 14.042 5.410 -22.756 1.00 0.01 N ATOM 0 H GLN A 106 11.478 10.650 -20.718 1.00 0.01 H new ATOM 0 HA GLN A 106 10.586 9.022 -22.968 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.945 9.184 -21.895 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.312 8.180 -20.606 1.00 0.01 H new ATOM 0 HG2 GLN A 106 11.511 6.547 -22.457 1.00 0.01 H new ATOM 0 HG3 GLN A 106 12.481 7.485 -23.575 1.00 0.01 H new ATOM 0 HE21 GLN A 106 13.527 5.110 -23.583 1.00 0.01 H new ATOM 0 HE22 GLN A 106 14.876 4.901 -22.462 1.00 0.01 H new ATOM 1650 N MET A 107 9.147 7.235 -21.899 1.00 0.01 N ATOM 1651 CA MET A 107 8.103 6.344 -21.299 1.00 0.01 C ATOM 1652 C MET A 107 8.572 4.891 -21.339 1.00 0.01 C ATOM 1653 O MET A 107 9.190 4.447 -22.287 1.00 0.01 O ATOM 1654 CB MET A 107 6.808 6.468 -22.103 1.00 0.00 C ATOM 1655 CG MET A 107 5.670 5.775 -21.351 1.00 0.01 C ATOM 1656 SD MET A 107 4.225 5.642 -22.433 1.00 0.01 S ATOM 1657 CE MET A 107 4.570 3.986 -23.081 1.00 0.01 C ATOM 0 H MET A 107 9.337 7.064 -22.887 1.00 0.01 H new ATOM 0 HA MET A 107 7.932 6.643 -20.265 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.566 7.519 -22.262 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.934 6.018 -23.087 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.986 4.784 -21.025 1.00 0.01 H new ATOM 0 HG3 MET A 107 5.415 6.340 -20.454 1.00 0.01 H new ATOM 0 HE1 MET A 107 3.787 3.699 -23.783 1.00 0.01 H new ATOM 0 HE2 MET A 107 5.532 3.989 -23.593 1.00 0.01 H new ATOM 0 HE3 MET A 107 4.599 3.272 -22.258 1.00 0.01 H new ATOM 1667 N TYR A 108 8.250 4.144 -20.318 1.00 0.01 N ATOM 1668 CA TYR A 108 8.626 2.697 -20.256 1.00 0.00 C ATOM 1669 C TYR A 108 7.373 1.899 -19.866 1.00 0.01 C ATOM 1670 O TYR A 108 6.621 2.288 -18.993 1.00 0.01 O ATOM 1671 CB TYR A 108 9.721 2.488 -19.197 1.00 0.54 C ATOM 1672 CG TYR A 108 11.082 2.775 -19.794 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.627 1.896 -20.740 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.800 3.911 -19.401 1.00 0.93 C ATOM 1675 CE1 TYR A 108 12.888 2.154 -21.290 1.00 1.76 C ATOM 1676 CE2 TYR A 108 13.061 4.169 -19.953 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.605 3.291 -20.898 1.00 1.82 C ATOM 1678 OH TYR A 108 14.848 3.545 -21.440 1.00 2.48 O ATOM 0 H TYR A 108 7.732 4.480 -19.507 1.00 0.01 H new ATOM 0 HA TYR A 108 9.006 2.363 -21.221 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.543 3.144 -18.344 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.687 1.464 -18.824 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.074 1.020 -21.045 1.00 1.24 H new ATOM 0 HD2 TYR A 108 11.381 4.589 -18.672 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.308 1.475 -22.017 1.00 1.76 H new ATOM 0 HE2 TYR A 108 13.614 5.046 -19.650 1.00 1.51 H new ATOM 0 HH TYR A 108 14.978 2.988 -22.236 1.00 2.48 H new ATOM 1688 N GLU A 109 7.141 0.799 -20.537 1.00 0.01 N ATOM 1689 CA GLU A 109 5.929 -0.041 -20.261 1.00 0.01 C ATOM 1690 C GLU A 109 6.359 -1.430 -19.794 1.00 0.01 C ATOM 1691 O GLU A 109 7.240 -2.041 -20.365 1.00 0.01 O ATOM 1692 CB GLU A 109 5.119 -0.146 -21.558 1.00 0.01 C ATOM 1693 CG GLU A 109 3.928 -1.099 -21.365 1.00 0.01 C ATOM 1694 CD GLU A 109 4.385 -2.552 -21.536 1.00 0.00 C ATOM 1695 OE1 GLU A 109 4.578 -2.962 -22.668 1.00 0.00 O ATOM 1696 OE2 GLU A 109 4.535 -3.227 -20.530 1.00 0.00 O ATOM 0 H GLU A 109 7.747 0.440 -21.275 1.00 0.01 H new ATOM 0 HA GLU A 109 5.322 0.412 -19.477 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.761 0.840 -21.852 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.756 -0.508 -22.365 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.497 -0.959 -20.374 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.146 -0.868 -22.088 1.00 0.01 H new ATOM 1703 N THR A 110 5.744 -1.940 -18.753 1.00 0.01 N ATOM 1704 CA THR A 110 6.134 -3.293 -18.257 1.00 0.00 C ATOM 1705 C THR A 110 4.937 -4.009 -17.623 1.00 0.01 C ATOM 1706 O THR A 110 4.030 -3.405 -17.078 1.00 0.01 O ATOM 1707 CB THR A 110 7.250 -3.162 -17.219 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.511 -4.435 -16.646 1.00 1.65 O ATOM 1709 CG2 THR A 110 6.819 -2.184 -16.125 1.00 1.69 C ATOM 0 H THR A 110 4.997 -1.481 -18.232 1.00 0.01 H new ATOM 0 HA THR A 110 6.484 -3.879 -19.107 1.00 0.00 H new ATOM 0 HB THR A 110 8.154 -2.788 -17.700 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.227 -4.354 -15.982 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.615 -2.091 -15.386 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.619 -1.208 -16.567 1.00 1.69 H new ATOM 0 HG23 THR A 110 5.915 -2.555 -15.641 1.00 1.69 H new ATOM 1717 N THR A 111 4.952 -5.310 -17.707 1.00 0.00 N ATOM 1718 CA THR A 111 3.850 -6.147 -17.139 1.00 0.01 C ATOM 1719 C THR A 111 4.355 -6.907 -15.908 1.00 0.01 C ATOM 1720 O THR A 111 3.693 -7.802 -15.418 1.00 0.01 O ATOM 1721 CB THR A 111 3.387 -7.147 -18.199 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.501 -7.904 -18.648 1.00 0.01 O ATOM 1723 CG2 THR A 111 2.769 -6.394 -19.380 1.00 0.01 C ATOM 0 H THR A 111 5.697 -5.843 -18.155 1.00 0.00 H new ATOM 0 HA THR A 111 3.020 -5.505 -16.846 1.00 0.01 H new ATOM 0 HB THR A 111 2.641 -7.815 -17.769 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.207 -8.547 -19.326 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.440 -7.108 -20.135 1.00 0.01 H new ATOM 0 HG22 THR A 111 1.915 -5.812 -19.034 1.00 0.01 H new ATOM 0 HG23 THR A 111 3.512 -5.725 -19.814 1.00 0.01 H new ATOM 1731 N GLU A 112 5.534 -6.584 -15.426 1.00 0.01 N ATOM 1732 CA GLU A 112 6.104 -7.317 -14.243 1.00 0.01 C ATOM 1733 C GLU A 112 6.399 -6.361 -13.080 1.00 0.01 C ATOM 1734 O GLU A 112 6.489 -5.162 -13.249 1.00 0.01 O ATOM 1735 CB GLU A 112 7.404 -7.998 -14.670 1.00 0.85 C ATOM 1736 CG GLU A 112 7.101 -9.037 -15.751 1.00 1.61 C ATOM 1737 CD GLU A 112 6.312 -10.193 -15.136 1.00 2.51 C ATOM 1738 OE1 GLU A 112 6.801 -10.775 -14.182 1.00 3.21 O ATOM 1739 OE2 GLU A 112 5.232 -10.476 -15.628 1.00 3.07 O ATOM 0 H GLU A 112 6.128 -5.844 -15.800 1.00 0.01 H new ATOM 0 HA GLU A 112 5.372 -8.050 -13.904 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.108 -7.257 -15.049 1.00 0.85 H new ATOM 0 HB3 GLU A 112 7.876 -8.477 -13.812 1.00 0.85 H new ATOM 0 HG2 GLU A 112 6.529 -8.581 -16.559 1.00 1.61 H new ATOM 0 HG3 GLU A 112 8.029 -9.407 -16.186 1.00 1.61 H new ATOM 1746 N ASP A 113 6.580 -6.904 -11.904 1.00 0.01 N ATOM 1747 CA ASP A 113 6.902 -6.060 -10.715 1.00 0.01 C ATOM 1748 C ASP A 113 8.287 -5.444 -10.927 1.00 0.00 C ATOM 1749 O ASP A 113 9.111 -5.986 -11.636 1.00 0.01 O ATOM 1750 CB ASP A 113 6.929 -6.943 -9.463 1.00 0.01 C ATOM 1751 CG ASP A 113 7.612 -8.272 -9.788 1.00 0.01 C ATOM 1752 OD1 ASP A 113 8.574 -8.252 -10.537 1.00 0.00 O ATOM 1753 OD2 ASP A 113 7.160 -9.286 -9.283 1.00 0.00 O ATOM 0 H ASP A 113 6.518 -7.904 -11.715 1.00 0.01 H new ATOM 0 HA ASP A 113 6.154 -5.277 -10.590 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.462 -6.435 -8.659 1.00 0.01 H new ATOM 0 HB3 ASP A 113 5.914 -7.121 -9.109 1.00 0.01 H new ATOM 1758 N CYS A 114 8.559 -4.325 -10.292 1.00 0.01 N ATOM 1759 CA CYS A 114 9.905 -3.677 -10.424 1.00 0.01 C ATOM 1760 C CYS A 114 10.533 -3.541 -9.018 1.00 0.01 C ATOM 1761 O CYS A 114 10.062 -2.739 -8.228 1.00 0.01 O ATOM 1762 CB CYS A 114 9.719 -2.277 -11.012 1.00 0.01 C ATOM 1763 SG CYS A 114 11.265 -1.347 -10.860 1.00 0.01 S ATOM 0 H CYS A 114 7.903 -3.832 -9.686 1.00 0.01 H new ATOM 0 HA CYS A 114 10.549 -4.277 -11.068 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.426 -2.347 -12.060 1.00 0.01 H new ATOM 0 HB3 CYS A 114 8.916 -1.756 -10.491 1.00 0.01 H new ATOM 0 HG CYS A 114 12.271 -2.170 -10.886 1.00 0.01 H new ATOM 1769 N PRO A 115 11.590 -4.279 -8.691 1.00 0.01 N ATOM 1770 CA PRO A 115 12.222 -4.148 -7.345 1.00 0.01 C ATOM 1771 C PRO A 115 13.093 -2.890 -7.251 1.00 0.01 C ATOM 1772 O PRO A 115 13.217 -2.291 -6.199 1.00 0.01 O ATOM 1773 CB PRO A 115 13.070 -5.428 -7.255 1.00 0.01 C ATOM 1774 CG PRO A 115 13.260 -5.966 -8.685 1.00 0.01 C ATOM 1775 CD PRO A 115 12.215 -5.291 -9.597 1.00 0.01 C ATOM 0 HA PRO A 115 11.500 -4.045 -6.535 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.035 -5.216 -6.795 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.575 -6.171 -6.629 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.268 -5.753 -9.040 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.137 -7.049 -8.703 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.678 -4.824 -10.466 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.482 -6.006 -9.971 1.00 0.01 H new ATOM 1783 N SER A 116 13.714 -2.491 -8.331 1.00 0.01 N ATOM 1784 CA SER A 116 14.584 -1.276 -8.300 1.00 0.02 C ATOM 1785 C SER A 116 14.401 -0.508 -9.608 1.00 0.01 C ATOM 1786 O SER A 116 14.834 -0.929 -10.663 1.00 0.00 O ATOM 1787 CB SER A 116 16.044 -1.701 -8.146 1.00 0.01 C ATOM 1788 OG SER A 116 16.884 -0.577 -8.370 1.00 0.01 O ATOM 0 H SER A 116 13.656 -2.956 -9.237 1.00 0.01 H new ATOM 0 HA SER A 116 14.310 -0.639 -7.459 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.214 -2.104 -7.148 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.281 -2.494 -8.855 1.00 0.01 H new ATOM 0 HG SER A 116 17.822 -0.844 -8.271 1.00 0.01 H new ATOM 1794 N ILE A 117 13.723 0.603 -9.536 1.00 0.01 N ATOM 1795 CA ILE A 117 13.451 1.412 -10.756 1.00 0.01 C ATOM 1796 C ILE A 117 14.749 1.952 -11.359 1.00 0.01 C ATOM 1797 O ILE A 117 14.891 2.006 -12.565 1.00 0.00 O ATOM 1798 CB ILE A 117 12.531 2.573 -10.368 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.137 2.013 -10.074 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.444 3.590 -11.509 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.255 3.097 -9.454 1.00 1.83 C ATOM 0 H ILE A 117 13.341 0.989 -8.673 1.00 0.01 H new ATOM 0 HA ILE A 117 12.974 0.783 -11.508 1.00 0.01 H new ATOM 0 HB ILE A 117 12.931 3.075 -9.487 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.683 1.646 -10.994 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.214 1.163 -9.395 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.786 4.409 -11.217 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.438 3.982 -11.724 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.045 3.104 -12.400 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.266 2.688 -9.249 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.704 3.444 -8.523 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.165 3.933 -10.147 1.00 1.83 H new ATOM 1813 N MET A 118 15.678 2.381 -10.548 1.00 0.02 N ATOM 1814 CA MET A 118 16.930 2.943 -11.121 1.00 0.01 C ATOM 1815 C MET A 118 17.710 1.846 -11.840 1.00 0.01 C ATOM 1816 O MET A 118 18.298 2.073 -12.873 1.00 0.02 O ATOM 1817 CB MET A 118 17.798 3.559 -10.019 1.00 0.24 C ATOM 1818 CG MET A 118 18.944 4.353 -10.650 1.00 0.63 C ATOM 1819 SD MET A 118 20.097 4.873 -9.355 1.00 1.20 S ATOM 1820 CE MET A 118 19.249 6.403 -8.895 1.00 1.34 C ATOM 0 H MET A 118 15.625 2.367 -9.529 1.00 0.02 H new ATOM 0 HA MET A 118 16.665 3.724 -11.833 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.194 4.212 -9.389 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.197 2.775 -9.376 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.461 3.741 -11.389 1.00 0.63 H new ATOM 0 HG3 MET A 118 18.552 5.224 -11.175 1.00 0.63 H new ATOM 0 HE1 MET A 118 19.799 6.898 -8.095 1.00 1.34 H new ATOM 0 HE2 MET A 118 19.195 7.063 -9.760 1.00 1.34 H new ATOM 0 HE3 MET A 118 18.241 6.171 -8.552 1.00 1.34 H new ATOM 1830 N GLU A 119 17.721 0.657 -11.323 1.00 0.01 N ATOM 1831 CA GLU A 119 18.473 -0.424 -12.010 1.00 0.02 C ATOM 1832 C GLU A 119 17.758 -0.804 -13.310 1.00 0.02 C ATOM 1833 O GLU A 119 18.385 -1.120 -14.302 1.00 0.01 O ATOM 1834 CB GLU A 119 18.553 -1.650 -11.089 1.00 0.30 C ATOM 1835 CG GLU A 119 19.280 -2.802 -11.804 1.00 0.99 C ATOM 1836 CD GLU A 119 18.303 -3.552 -12.716 1.00 1.69 C ATOM 1837 OE1 GLU A 119 17.187 -3.793 -12.286 1.00 2.11 O ATOM 1838 OE2 GLU A 119 18.688 -3.871 -13.829 1.00 2.07 O ATOM 0 H GLU A 119 17.247 0.385 -10.462 1.00 0.01 H new ATOM 0 HA GLU A 119 19.479 -0.076 -12.243 1.00 0.02 H new ATOM 0 HB2 GLU A 119 19.080 -1.391 -10.171 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.550 -1.965 -10.802 1.00 0.30 H new ATOM 0 HG2 GLU A 119 20.111 -2.410 -12.391 1.00 0.99 H new ATOM 0 HG3 GLU A 119 19.704 -3.487 -11.070 1.00 0.99 H new ATOM 1845 N GLN A 120 16.453 -0.839 -13.296 1.00 0.00 N ATOM 1846 CA GLN A 120 15.700 -1.270 -14.510 1.00 0.01 C ATOM 1847 C GLN A 120 15.568 -0.153 -15.548 1.00 0.01 C ATOM 1848 O GLN A 120 15.757 -0.376 -16.727 1.00 0.01 O ATOM 1849 CB GLN A 120 14.302 -1.724 -14.089 1.00 0.52 C ATOM 1850 CG GLN A 120 13.601 -2.396 -15.270 1.00 1.07 C ATOM 1851 CD GLN A 120 12.205 -2.855 -14.841 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.553 -3.601 -15.545 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.715 -2.436 -13.707 1.00 2.08 N ATOM 0 H GLN A 120 15.874 -0.587 -12.495 1.00 0.00 H new ATOM 0 HA GLN A 120 16.259 -2.083 -14.973 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.371 -2.419 -13.252 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.719 -0.869 -13.746 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.526 -1.700 -16.106 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.185 -3.248 -15.616 1.00 1.07 H new ATOM 0 HE21 GLN A 120 12.261 -1.810 -13.116 1.00 2.08 H new ATOM 0 HE22 GLN A 120 10.785 -2.734 -13.412 1.00 2.08 H new ATOM 1862 N PHE A 121 15.170 1.026 -15.131 1.00 0.02 N ATOM 1863 CA PHE A 121 14.934 2.139 -16.112 1.00 0.01 C ATOM 1864 C PHE A 121 15.953 3.273 -15.972 1.00 0.01 C ATOM 1865 O PHE A 121 15.909 4.238 -16.709 1.00 0.01 O ATOM 1866 CB PHE A 121 13.522 2.682 -15.891 1.00 0.01 C ATOM 1867 CG PHE A 121 12.527 1.567 -16.132 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.381 1.024 -17.415 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.757 1.068 -15.073 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.469 -0.014 -17.638 1.00 0.01 C ATOM 1871 CE2 PHE A 121 10.845 0.030 -15.297 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.700 -0.511 -16.579 1.00 0.01 C ATOM 0 H PHE A 121 14.998 1.268 -14.155 1.00 0.02 H new ATOM 0 HA PHE A 121 15.048 1.737 -17.119 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.420 3.066 -14.876 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.327 3.514 -16.568 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.973 1.407 -18.233 1.00 0.01 H new ATOM 0 HD2 PHE A 121 11.867 1.485 -14.083 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.358 -0.432 -18.628 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.253 -0.354 -14.479 1.00 0.01 H new ATOM 0 HZ PHE A 121 9.996 -1.311 -16.752 1.00 0.01 H new ATOM 1882 N HIS A 122 16.866 3.180 -15.049 1.00 0.01 N ATOM 1883 CA HIS A 122 17.874 4.268 -14.886 1.00 0.01 C ATOM 1884 C HIS A 122 17.172 5.580 -14.517 1.00 0.01 C ATOM 1885 O HIS A 122 17.596 6.646 -14.914 1.00 0.02 O ATOM 1886 CB HIS A 122 18.657 4.431 -16.196 1.00 0.01 C ATOM 1887 CG HIS A 122 18.853 3.083 -16.829 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.051 2.632 -17.864 1.00 0.01 N ATOM 1889 CD2 HIS A 122 19.752 2.074 -16.585 1.00 0.01 C ATOM 1890 CE1 HIS A 122 18.478 1.403 -18.203 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.513 1.014 -17.454 1.00 0.01 N ATOM 0 H HIS A 122 16.960 2.399 -14.399 1.00 0.01 H new ATOM 0 HA HIS A 122 18.566 4.010 -14.084 1.00 0.01 H new ATOM 0 HB2 HIS A 122 18.117 5.090 -16.876 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.623 4.897 -16.000 1.00 0.01 H new ATOM 0 HD1 HIS A 122 17.277 3.140 -18.292 1.00 0.01 H new ATOM 0 HD2 HIS A 122 20.527 2.099 -15.833 1.00 0.01 H new ATOM 0 HE1 HIS A 122 18.038 0.803 -18.986 1.00 0.00 H new ATOM 1899 N LEU A 123 16.099 5.506 -13.760 1.00 0.01 N ATOM 1900 CA LEU A 123 15.356 6.753 -13.356 1.00 0.01 C ATOM 1901 C LEU A 123 15.454 6.938 -11.839 1.00 0.02 C ATOM 1902 O LEU A 123 15.306 6.001 -11.079 1.00 0.01 O ATOM 1903 CB LEU A 123 13.886 6.620 -13.760 1.00 0.01 C ATOM 1904 CG LEU A 123 13.795 6.178 -15.222 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.323 6.066 -15.628 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.501 7.202 -16.125 1.00 0.01 C ATOM 0 H LEU A 123 15.704 4.636 -13.403 1.00 0.01 H new ATOM 0 HA LEU A 123 15.795 7.617 -13.855 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.386 5.895 -13.118 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.373 7.572 -13.625 1.00 0.01 H new ATOM 0 HG LEU A 123 14.281 5.209 -15.335 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.256 5.751 -16.669 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.826 5.332 -14.994 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.838 7.035 -15.510 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.432 6.880 -17.164 1.00 0.01 H new ATOM 0 HD22 LEU A 123 14.023 8.175 -16.014 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.550 7.278 -15.838 1.00 0.01 H new ATOM 1918 N ARG A 124 15.714 8.140 -11.389 1.00 0.01 N ATOM 1919 CA ARG A 124 15.836 8.379 -9.918 1.00 0.00 C ATOM 1920 C ARG A 124 14.474 8.730 -9.307 1.00 0.01 C ATOM 1921 O ARG A 124 14.274 8.606 -8.114 1.00 0.01 O ATOM 1922 CB ARG A 124 16.811 9.541 -9.664 1.00 1.67 C ATOM 1923 CG ARG A 124 16.339 10.831 -10.395 1.00 1.98 C ATOM 1924 CD ARG A 124 17.252 11.140 -11.591 1.00 2.92 C ATOM 1925 NE ARG A 124 17.491 9.898 -12.376 1.00 3.54 N ATOM 1926 CZ ARG A 124 17.975 9.978 -13.585 1.00 4.57 C ATOM 1927 NH1 ARG A 124 18.242 11.146 -14.102 1.00 5.25 N ATOM 1928 NH2 ARG A 124 18.195 8.894 -14.277 1.00 5.32 N ATOM 0 H ARG A 124 15.847 8.964 -11.975 1.00 0.01 H new ATOM 0 HA ARG A 124 16.208 7.466 -9.453 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.885 9.731 -8.593 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.808 9.267 -10.009 1.00 1.67 H new ATOM 0 HG2 ARG A 124 15.312 10.706 -10.738 1.00 1.98 H new ATOM 0 HG3 ARG A 124 16.343 11.671 -9.701 1.00 1.98 H new ATOM 0 HD2 ARG A 124 16.793 11.899 -12.224 1.00 2.92 H new ATOM 0 HD3 ARG A 124 18.200 11.548 -11.241 1.00 2.92 H new ATOM 0 HE ARG A 124 17.277 8.987 -11.970 1.00 3.54 H new ATOM 0 HH11 ARG A 124 18.072 11.994 -13.561 1.00 5.25 H new ATOM 0 HH12 ARG A 124 18.620 11.211 -15.047 1.00 5.25 H new ATOM 0 HH21 ARG A 124 17.989 7.980 -13.873 1.00 5.32 H new ATOM 0 HH22 ARG A 124 18.573 8.960 -15.222 1.00 5.32 H new ATOM 1942 N GLU A 125 13.539 9.188 -10.103 1.00 0.01 N ATOM 1943 CA GLU A 125 12.202 9.572 -9.549 1.00 0.01 C ATOM 1944 C GLU A 125 11.111 9.330 -10.597 1.00 0.01 C ATOM 1945 O GLU A 125 11.386 9.190 -11.773 1.00 0.01 O ATOM 1946 CB GLU A 125 12.213 11.059 -9.190 1.00 0.01 C ATOM 1947 CG GLU A 125 13.189 11.301 -8.037 1.00 0.01 C ATOM 1948 CD GLU A 125 12.944 12.690 -7.444 1.00 0.02 C ATOM 1949 OE1 GLU A 125 12.830 13.629 -8.215 1.00 0.02 O ATOM 1950 OE2 GLU A 125 12.873 12.791 -6.231 1.00 0.01 O ATOM 0 H GLU A 125 13.643 9.313 -11.110 1.00 0.01 H new ATOM 0 HA GLU A 125 11.999 8.969 -8.664 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.505 11.651 -10.057 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.212 11.382 -8.906 1.00 0.01 H new ATOM 0 HG2 GLU A 125 13.058 10.538 -7.270 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.216 11.222 -8.393 1.00 0.01 H new ATOM 1957 N ILE A 126 9.868 9.312 -10.180 1.00 0.01 N ATOM 1958 CA ILE A 126 8.732 9.116 -11.139 1.00 0.01 C ATOM 1959 C ILE A 126 7.717 10.229 -10.879 1.00 0.01 C ATOM 1960 O ILE A 126 7.311 10.440 -9.753 1.00 0.01 O ATOM 1961 CB ILE A 126 8.061 7.763 -10.876 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.115 6.638 -10.871 1.00 1.49 C ATOM 1963 CG2 ILE A 126 7.003 7.486 -11.951 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.834 6.518 -12.229 1.00 1.70 C ATOM 0 H ILE A 126 9.588 9.426 -9.206 1.00 0.01 H new ATOM 0 HA ILE A 126 9.093 9.141 -12.167 1.00 0.01 H new ATOM 0 HB ILE A 126 7.577 7.794 -9.900 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.848 6.831 -10.088 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.633 5.690 -10.630 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.531 6.523 -11.757 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.248 8.271 -11.929 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.478 7.466 -12.932 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.568 5.714 -12.182 1.00 1.70 H new ATOM 0 HD12 ILE A 126 9.105 6.299 -13.009 1.00 1.70 H new ATOM 0 HD13 ILE A 126 10.338 7.457 -12.458 1.00 1.70 H new ATOM 1976 N HIS A 127 7.337 10.976 -11.893 1.00 0.01 N ATOM 1977 CA HIS A 127 6.387 12.118 -11.669 1.00 0.01 C ATOM 1978 C HIS A 127 4.995 11.851 -12.249 1.00 0.01 C ATOM 1979 O HIS A 127 4.048 12.547 -11.938 1.00 0.01 O ATOM 1980 CB HIS A 127 6.961 13.387 -12.300 1.00 0.02 C ATOM 1981 CG HIS A 127 8.406 13.528 -11.909 1.00 0.01 C ATOM 1982 ND1 HIS A 127 9.392 12.688 -12.402 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.046 14.406 -11.069 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.562 13.074 -11.860 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.408 14.118 -11.039 1.00 0.02 N ATOM 0 H HIS A 127 7.641 10.846 -12.858 1.00 0.01 H new ATOM 0 HA HIS A 127 6.274 12.238 -10.592 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.869 13.341 -13.385 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.396 14.259 -11.969 1.00 0.02 H new ATOM 0 HD2 HIS A 127 8.566 15.199 -10.516 1.00 0.01 H new ATOM 0 HE1 HIS A 127 11.510 12.598 -12.064 1.00 0.01 H new ATOM 0 HE2 HIS A 127 11.132 14.600 -10.506 1.00 0.02 H new ATOM 1993 N SER A 128 4.841 10.841 -13.063 1.00 0.01 N ATOM 1994 CA SER A 128 3.493 10.535 -13.620 1.00 0.01 C ATOM 1995 C SER A 128 3.473 9.082 -14.093 1.00 0.01 C ATOM 1996 O SER A 128 4.499 8.516 -14.423 1.00 0.01 O ATOM 1997 CB SER A 128 3.202 11.464 -14.801 1.00 0.01 C ATOM 1998 OG SER A 128 4.329 11.499 -15.667 1.00 0.01 O ATOM 0 H SER A 128 5.589 10.217 -13.365 1.00 0.01 H new ATOM 0 HA SER A 128 2.733 10.685 -12.853 1.00 0.01 H new ATOM 0 HB2 SER A 128 2.324 11.115 -15.344 1.00 0.01 H new ATOM 0 HB3 SER A 128 2.976 12.468 -14.441 1.00 0.01 H new ATOM 0 HG SER A 128 4.959 12.182 -15.356 1.00 0.01 H new ATOM 2004 N CYS A 129 2.324 8.461 -14.107 1.00 0.01 N ATOM 2005 CA CYS A 129 2.254 7.037 -14.544 1.00 0.01 C ATOM 2006 C CYS A 129 0.792 6.646 -14.770 1.00 0.00 C ATOM 2007 O CYS A 129 -0.088 7.072 -14.046 1.00 0.01 O ATOM 2008 CB CYS A 129 2.860 6.140 -13.463 1.00 0.69 C ATOM 2009 SG CYS A 129 1.790 6.145 -12.003 1.00 1.22 S ATOM 0 H CYS A 129 1.433 8.877 -13.835 1.00 0.01 H new ATOM 0 HA CYS A 129 2.812 6.914 -15.472 1.00 0.01 H new ATOM 0 HB2 CYS A 129 2.973 5.124 -13.840 1.00 0.69 H new ATOM 0 HB3 CYS A 129 3.856 6.494 -13.198 1.00 0.69 H new ATOM 0 HG CYS A 129 0.605 6.564 -12.335 1.00 1.22 H new ATOM 2015 N LYS A 130 0.516 5.835 -15.769 1.00 0.01 N ATOM 2016 CA LYS A 130 -0.901 5.421 -16.033 1.00 0.01 C ATOM 2017 C LYS A 130 -1.004 3.892 -16.036 1.00 0.01 C ATOM 2018 O LYS A 130 -0.584 3.213 -16.949 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.350 5.977 -17.390 1.00 0.55 C ATOM 2020 CG LYS A 130 -2.735 5.429 -17.738 1.00 0.80 C ATOM 2021 CD LYS A 130 -3.307 6.208 -18.922 1.00 0.29 C ATOM 2022 CE LYS A 130 -4.621 5.567 -19.370 1.00 0.33 C ATOM 2023 NZ LYS A 130 -5.583 5.557 -18.233 1.00 1.41 N ATOM 0 H LYS A 130 1.208 5.445 -16.409 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.546 5.817 -15.249 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -1.377 7.066 -17.357 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -0.633 5.699 -18.163 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -2.667 4.369 -17.984 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -3.399 5.515 -16.878 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -3.475 7.247 -18.640 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -2.593 6.213 -19.746 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -5.040 6.121 -20.210 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -4.442 4.549 -19.717 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -6.525 5.280 -18.577 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -5.264 4.877 -17.514 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -5.634 6.507 -17.813 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.585 3.365 -14.999 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.785 1.892 -14.858 1.00 0.01 C ATOM 2039 C VAL A 131 -3.280 1.617 -14.976 1.00 0.01 C ATOM 2040 O VAL A 131 -4.074 2.313 -14.375 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.284 1.430 -13.490 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -2.027 2.191 -12.391 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.546 -0.068 -13.334 1.00 0.01 C ATOM 0 H VAL A 131 -1.943 3.910 -14.215 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.232 1.355 -15.629 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.215 1.625 -13.409 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.670 1.862 -11.415 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -1.845 3.260 -12.502 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -3.096 1.994 -12.471 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.190 -0.400 -12.359 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.616 -0.261 -13.414 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -1.020 -0.613 -14.118 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.515 -0.980 -7.460 1.00 0.01 N ATOM 2106 CA TRP A 136 -1.036 -1.159 -7.641 1.00 0.01 C ATOM 2107 C TRP A 136 -0.367 -0.519 -6.424 1.00 0.01 C ATOM 2108 O TRP A 136 -0.919 0.394 -5.841 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.574 -0.467 -8.936 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.663 -1.427 -10.083 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.808 -1.982 -10.541 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.410 -1.953 -10.918 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.508 -2.813 -11.605 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -0.154 -2.830 -11.874 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.803 -1.757 -10.937 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.637 -3.487 -12.819 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.601 -2.418 -11.887 1.00 0.01 C ATOM 2118 CH2 TRP A 136 2.017 -3.281 -12.823 1.00 0.01 C ATOM 0 HA TRP A 136 -0.771 -2.213 -7.721 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.194 0.408 -9.133 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.451 -0.113 -8.825 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.796 -1.805 -10.141 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -2.202 -3.348 -12.127 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.262 -1.095 -10.218 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.184 -4.150 -13.541 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.669 -2.260 -11.895 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.636 -3.788 -13.549 1.00 0.01 H new ATOM 2129 N ILE A 137 0.804 -0.964 -6.016 1.00 0.01 N ATOM 2130 CA ILE A 137 1.465 -0.340 -4.822 1.00 0.00 C ATOM 2131 C ILE A 137 2.815 0.248 -5.229 1.00 0.01 C ATOM 2132 O ILE A 137 3.609 -0.384 -5.895 1.00 0.01 O ATOM 2133 CB ILE A 137 1.717 -1.404 -3.745 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.467 -2.258 -3.523 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.090 -0.713 -2.432 1.00 1.37 C ATOM 2136 CD1 ILE A 137 0.854 -3.502 -2.720 1.00 1.69 C ATOM 0 H ILE A 137 1.324 -1.724 -6.454 1.00 0.01 H new ATOM 0 HA ILE A 137 0.810 0.440 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 137 2.529 -2.050 -4.077 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.291 -1.685 -2.989 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.033 -2.547 -4.480 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.270 -1.465 -1.664 1.00 1.37 H new ATOM 0 HG22 ILE A 137 2.992 -0.119 -2.577 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.274 -0.062 -2.119 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -0.030 -4.118 -2.556 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.598 -4.075 -3.273 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.269 -3.200 -1.759 1.00 1.69 H new ATOM 2148 N PHE A 138 3.081 1.447 -4.794 1.00 0.01 N ATOM 2149 CA PHE A 138 4.384 2.120 -5.093 1.00 0.01 C ATOM 2150 C PHE A 138 5.137 2.210 -3.762 1.00 0.01 C ATOM 2151 O PHE A 138 4.535 2.443 -2.739 1.00 0.00 O ATOM 2152 CB PHE A 138 4.108 3.534 -5.646 1.00 1.11 C ATOM 2153 CG PHE A 138 4.015 3.543 -7.167 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.572 2.421 -7.885 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.377 4.705 -7.858 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.496 2.468 -9.282 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.301 4.750 -9.254 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.862 3.631 -9.967 1.00 2.49 C ATOM 0 H PHE A 138 2.438 2.004 -4.231 1.00 0.01 H new ATOM 0 HA PHE A 138 4.966 1.572 -5.834 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.178 3.913 -5.223 1.00 1.11 H new ATOM 0 HB3 PHE A 138 4.902 4.210 -5.327 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.290 1.521 -7.359 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.717 5.572 -7.310 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.154 1.604 -9.832 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.582 5.650 -9.781 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.806 3.664 -11.045 1.00 2.49 H new ATOM 2168 N TYR A 139 6.441 2.034 -3.759 1.00 0.01 N ATOM 2169 CA TYR A 139 7.226 2.116 -2.480 1.00 0.01 C ATOM 2170 C TYR A 139 8.306 3.195 -2.613 1.00 0.01 C ATOM 2171 O TYR A 139 8.871 3.397 -3.674 1.00 0.01 O ATOM 2172 CB TYR A 139 7.905 0.766 -2.208 1.00 0.01 C ATOM 2173 CG TYR A 139 6.913 -0.211 -1.618 1.00 0.01 C ATOM 2174 CD1 TYR A 139 5.928 -0.788 -2.427 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.996 -0.555 -0.263 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.026 -1.708 -1.881 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.092 -1.472 0.282 1.00 0.02 C ATOM 2178 CZ TYR A 139 5.108 -2.050 -0.527 1.00 0.02 C ATOM 2179 OH TYR A 139 4.216 -2.955 0.010 1.00 0.00 O ATOM 0 H TYR A 139 6.997 1.836 -4.591 1.00 0.01 H new ATOM 0 HA TYR A 139 6.552 2.364 -1.660 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.314 0.364 -3.135 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.742 0.903 -1.523 1.00 0.01 H new ATOM 0 HD1 TYR A 139 5.864 -0.524 -3.472 1.00 0.01 H new ATOM 0 HD2 TYR A 139 7.758 -0.112 0.361 1.00 0.01 H new ATOM 0 HE1 TYR A 139 4.266 -2.154 -2.505 1.00 0.01 H new ATOM 0 HE2 TYR A 139 6.153 -1.734 1.328 1.00 0.02 H new ATOM 0 HH TYR A 139 3.548 -2.478 0.545 1.00 0.00 H new ATOM 2189 N GLU A 140 8.553 3.923 -1.553 1.00 0.01 N ATOM 2190 CA GLU A 140 9.544 5.036 -1.600 1.00 0.02 C ATOM 2191 C GLU A 140 10.989 4.511 -1.605 1.00 0.01 C ATOM 2192 O GLU A 140 11.864 5.153 -2.147 1.00 0.01 O ATOM 2193 CB GLU A 140 9.325 5.902 -0.352 1.00 0.01 C ATOM 2194 CG GLU A 140 9.940 7.291 -0.564 1.00 0.02 C ATOM 2195 CD GLU A 140 9.015 8.136 -1.444 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.101 7.571 -2.022 1.00 0.02 O ATOM 2197 OE2 GLU A 140 9.237 9.333 -1.524 1.00 0.01 O ATOM 0 H GLU A 140 8.103 3.790 -0.647 1.00 0.01 H new ATOM 0 HA GLU A 140 9.400 5.607 -2.517 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.259 5.995 -0.146 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.777 5.424 0.517 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.092 7.782 0.397 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.919 7.198 -1.033 1.00 0.02 H new ATOM 2204 N LEU A 141 11.267 3.377 -0.997 1.00 0.01 N ATOM 2205 CA LEU A 141 12.680 2.859 -0.970 1.00 0.02 C ATOM 2206 C LEU A 141 12.750 1.546 -1.774 1.00 0.01 C ATOM 2207 O LEU A 141 11.766 0.834 -1.872 1.00 0.01 O ATOM 2208 CB LEU A 141 13.054 2.580 0.494 1.00 0.57 C ATOM 2209 CG LEU A 141 12.963 3.874 1.313 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.073 3.537 2.803 1.00 1.48 C ATOM 2211 CD2 LEU A 141 14.098 4.838 0.918 1.00 1.24 C ATOM 0 H LEU A 141 10.582 2.790 -0.521 1.00 0.01 H new ATOM 0 HA LEU A 141 13.365 3.586 -1.406 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.385 1.827 0.912 1.00 0.57 H new ATOM 0 HB3 LEU A 141 14.064 2.175 0.549 1.00 0.57 H new ATOM 0 HG LEU A 141 12.007 4.357 1.112 1.00 0.81 H new ATOM 0 HD11 LEU A 141 13.009 4.454 3.389 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.260 2.868 3.086 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.028 3.049 2.996 1.00 1.48 H new ATOM 0 HD21 LEU A 141 14.021 5.752 1.507 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.061 4.364 1.108 1.00 1.24 H new ATOM 0 HD23 LEU A 141 14.017 5.081 -0.141 1.00 1.24 H new ATOM 2223 N PRO A 142 13.898 1.206 -2.342 1.00 0.01 N ATOM 2224 CA PRO A 142 14.016 -0.053 -3.131 1.00 0.01 C ATOM 2225 C PRO A 142 13.576 -1.293 -2.340 1.00 0.01 C ATOM 2226 O PRO A 142 13.436 -1.279 -1.133 1.00 0.01 O ATOM 2227 CB PRO A 142 15.522 -0.107 -3.479 1.00 0.01 C ATOM 2228 CG PRO A 142 16.218 1.105 -2.828 1.00 0.02 C ATOM 2229 CD PRO A 142 15.137 2.041 -2.262 1.00 0.01 C ATOM 0 HA PRO A 142 13.367 -0.055 -4.006 1.00 0.01 H new ATOM 0 HB2 PRO A 142 15.962 -1.036 -3.116 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.662 -0.089 -4.560 1.00 0.01 H new ATOM 0 HG2 PRO A 142 16.888 0.776 -2.034 1.00 0.02 H new ATOM 0 HG3 PRO A 142 16.828 1.631 -3.562 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.357 2.340 -1.237 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.047 2.955 -2.848 1.00 0.01 H new ATOM 2237 N ASN A 143 13.385 -2.369 -3.054 1.00 0.01 N ATOM 2238 CA ASN A 143 12.983 -3.660 -2.430 1.00 0.01 C ATOM 2239 C ASN A 143 11.648 -3.532 -1.693 1.00 0.01 C ATOM 2240 O ASN A 143 11.386 -4.218 -0.726 1.00 0.01 O ATOM 2241 CB ASN A 143 14.062 -4.103 -1.441 1.00 0.23 C ATOM 2242 CG ASN A 143 13.825 -5.563 -1.049 1.00 0.11 C ATOM 2243 OD1 ASN A 143 14.586 -6.134 -0.294 1.00 0.75 O ATOM 2244 ND2 ASN A 143 12.790 -6.192 -1.530 1.00 0.56 N ATOM 0 H ASN A 143 13.494 -2.407 -4.067 1.00 0.01 H new ATOM 0 HA ASN A 143 12.868 -4.399 -3.223 1.00 0.01 H new ATOM 0 HB2 ASN A 143 15.049 -3.991 -1.889 1.00 0.23 H new ATOM 0 HB3 ASN A 143 14.041 -3.469 -0.555 1.00 0.23 H new ATOM 0 HD21 ASN A 143 12.619 -7.164 -1.272 1.00 0.56 H new ATOM 0 HD22 ASN A 143 12.151 -5.712 -2.164 1.00 0.56 H new ATOM 2251 N TYR A 144 10.786 -2.681 -2.179 1.00 0.01 N ATOM 2252 CA TYR A 144 9.440 -2.517 -1.561 1.00 0.02 C ATOM 2253 C TYR A 144 9.544 -2.118 -0.084 1.00 0.01 C ATOM 2254 O TYR A 144 8.943 -2.737 0.772 1.00 0.01 O ATOM 2255 CB TYR A 144 8.670 -3.838 -1.687 1.00 0.01 C ATOM 2256 CG TYR A 144 9.025 -4.493 -3.004 1.00 0.01 C ATOM 2257 CD1 TYR A 144 8.805 -3.804 -4.203 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.580 -5.780 -3.028 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.139 -4.400 -5.425 1.00 0.01 C ATOM 2260 CE2 TYR A 144 9.914 -6.376 -4.251 1.00 0.01 C ATOM 2261 CZ TYR A 144 9.692 -5.685 -5.449 1.00 0.01 C ATOM 2262 OH TYR A 144 10.022 -6.271 -6.655 1.00 0.01 O ATOM 0 H TYR A 144 10.960 -2.085 -2.988 1.00 0.01 H new ATOM 0 HA TYR A 144 8.913 -1.719 -2.084 1.00 0.02 H new ATOM 0 HB2 TYR A 144 8.920 -4.500 -0.858 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.597 -3.654 -1.635 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.377 -2.812 -4.185 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.750 -6.312 -2.104 1.00 0.01 H new ATOM 0 HE1 TYR A 144 8.970 -3.868 -6.349 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.342 -7.367 -4.270 1.00 0.01 H new ATOM 0 HH TYR A 144 10.395 -7.163 -6.494 1.00 0.01 H new ATOM 2272 N ARG A 145 10.299 -1.088 0.220 1.00 0.02 N ATOM 2273 CA ARG A 145 10.440 -0.644 1.651 1.00 0.01 C ATOM 2274 C ARG A 145 10.125 0.851 1.772 1.00 0.01 C ATOM 2275 O ARG A 145 10.050 1.562 0.787 1.00 0.01 O ATOM 2276 CB ARG A 145 11.879 -0.899 2.127 1.00 0.01 C ATOM 2277 CG ARG A 145 12.083 -2.400 2.429 1.00 0.02 C ATOM 2278 CD ARG A 145 11.721 -2.711 3.895 1.00 0.01 C ATOM 2279 NE ARG A 145 10.693 -1.747 4.381 1.00 0.01 N ATOM 2280 CZ ARG A 145 10.008 -2.013 5.460 1.00 0.01 C ATOM 2281 NH1 ARG A 145 10.223 -3.122 6.113 1.00 0.02 N ATOM 2282 NH2 ARG A 145 9.107 -1.169 5.885 1.00 0.01 N ATOM 0 H ARG A 145 10.824 -0.535 -0.457 1.00 0.02 H new ATOM 0 HA ARG A 145 9.741 -1.209 2.268 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.585 -0.575 1.363 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.084 -0.310 3.021 1.00 0.01 H new ATOM 0 HG2 ARG A 145 11.464 -2.999 1.761 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.120 -2.678 2.238 1.00 0.02 H new ATOM 0 HD2 ARG A 145 11.343 -3.730 3.977 1.00 0.01 H new ATOM 0 HD3 ARG A 145 12.612 -2.650 4.519 1.00 0.01 H new ATOM 0 HE ARG A 145 10.525 -0.880 3.871 1.00 0.01 H new ATOM 0 HH11 ARG A 145 10.927 -3.781 5.780 1.00 0.02 H new ATOM 0 HH12 ARG A 145 9.688 -3.329 6.956 1.00 0.02 H new ATOM 0 HH21 ARG A 145 8.939 -0.302 5.374 1.00 0.01 H new ATOM 0 HH22 ARG A 145 8.571 -1.376 6.728 1.00 0.01 H new ATOM 2296 N GLY A 146 9.929 1.334 2.974 1.00 0.01 N ATOM 2297 CA GLY A 146 9.613 2.779 3.170 1.00 0.02 C ATOM 2298 C GLY A 146 8.102 3.002 3.085 1.00 0.01 C ATOM 2299 O GLY A 146 7.319 2.075 3.150 1.00 0.02 O ATOM 0 H GLY A 146 9.975 0.784 3.832 1.00 0.01 H new ATOM 0 HA2 GLY A 146 9.984 3.112 4.139 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.120 3.376 2.412 1.00 0.02 H new ATOM 2303 N ARG A 147 7.693 4.231 2.944 1.00 0.01 N ATOM 2304 CA ARG A 147 6.237 4.535 2.857 1.00 0.01 C ATOM 2305 C ARG A 147 5.701 4.011 1.530 1.00 0.01 C ATOM 2306 O ARG A 147 6.378 4.022 0.519 1.00 0.01 O ATOM 2307 CB ARG A 147 6.027 6.049 2.938 1.00 0.01 C ATOM 2308 CG ARG A 147 4.553 6.342 3.225 1.00 0.01 C ATOM 2309 CD ARG A 147 4.328 7.853 3.258 1.00 0.01 C ATOM 2310 NE ARG A 147 5.281 8.478 4.215 1.00 0.02 N ATOM 2311 CZ ARG A 147 5.476 9.768 4.189 1.00 0.02 C ATOM 2312 NH1 ARG A 147 4.829 10.510 3.332 1.00 0.01 N ATOM 2313 NH2 ARG A 147 6.318 10.318 5.023 1.00 0.02 N ATOM 0 H ARG A 147 8.308 5.043 2.885 1.00 0.01 H new ATOM 0 HA ARG A 147 5.707 4.056 3.681 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.653 6.473 3.723 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.327 6.520 2.002 1.00 0.01 H new ATOM 0 HG2 ARG A 147 3.925 5.887 2.458 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.263 5.900 4.178 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.468 8.274 2.262 1.00 0.01 H new ATOM 0 HD3 ARG A 147 3.302 8.072 3.555 1.00 0.01 H new ATOM 0 HE ARG A 147 5.781 7.899 4.890 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.170 10.082 2.682 1.00 0.01 H new ATOM 0 HH12 ARG A 147 4.982 11.518 3.313 1.00 0.01 H new ATOM 0 HH21 ARG A 147 6.823 9.739 5.694 1.00 0.02 H new ATOM 0 HH22 ARG A 147 6.471 11.326 5.003 1.00 0.02 H new ATOM 2327 N GLN A 148 4.493 3.501 1.548 1.00 0.01 N ATOM 2328 CA GLN A 148 3.883 2.912 0.321 1.00 0.01 C ATOM 2329 C GLN A 148 2.685 3.761 -0.120 1.00 0.01 C ATOM 2330 O GLN A 148 1.994 4.344 0.690 1.00 0.01 O ATOM 2331 CB GLN A 148 3.388 1.496 0.673 1.00 0.00 C ATOM 2332 CG GLN A 148 4.345 0.834 1.669 1.00 0.02 C ATOM 2333 CD GLN A 148 3.892 -0.606 1.918 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.147 -1.163 1.137 1.00 0.02 O ATOM 2335 NE2 GLN A 148 4.312 -1.235 2.981 1.00 0.01 N ATOM 0 H GLN A 148 3.897 3.469 2.375 1.00 0.01 H new ATOM 0 HA GLN A 148 4.616 2.881 -0.485 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.386 1.549 1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.318 0.892 -0.232 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.362 0.846 1.277 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.358 1.391 2.606 1.00 0.02 H new ATOM 0 HE21 GLN A 148 4.938 -0.767 3.637 1.00 0.01 H new ATOM 0 HE22 GLN A 148 4.015 -2.195 3.156 1.00 0.01 H new ATOM 2344 N TYR A 149 2.427 3.810 -1.403 1.00 0.01 N ATOM 2345 CA TYR A 149 1.259 4.586 -1.931 1.00 0.01 C ATOM 2346 C TYR A 149 0.378 3.641 -2.749 1.00 0.01 C ATOM 2347 O TYR A 149 0.874 2.878 -3.554 1.00 0.01 O ATOM 2348 CB TYR A 149 1.749 5.732 -2.821 1.00 0.01 C ATOM 2349 CG TYR A 149 2.523 6.730 -1.991 1.00 0.01 C ATOM 2350 CD1 TYR A 149 1.849 7.579 -1.106 1.00 0.01 C ATOM 2351 CD2 TYR A 149 3.917 6.811 -2.111 1.00 0.01 C ATOM 2352 CE1 TYR A 149 2.567 8.508 -0.342 1.00 0.01 C ATOM 2353 CE2 TYR A 149 4.634 7.742 -1.349 1.00 0.01 C ATOM 2354 CZ TYR A 149 3.958 8.590 -0.465 1.00 0.01 C ATOM 2355 OH TYR A 149 4.666 9.508 0.284 1.00 0.01 O ATOM 0 H TYR A 149 2.983 3.340 -2.117 1.00 0.01 H new ATOM 0 HA TYR A 149 0.691 5.007 -1.102 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.381 5.341 -3.618 1.00 0.01 H new ATOM 0 HB3 TYR A 149 0.901 6.222 -3.298 1.00 0.01 H new ATOM 0 HD1 TYR A 149 0.775 7.518 -1.012 1.00 0.01 H new ATOM 0 HD2 TYR A 149 4.439 6.155 -2.792 1.00 0.01 H new ATOM 0 HE1 TYR A 149 2.046 9.161 0.342 1.00 0.01 H new ATOM 0 HE2 TYR A 149 5.708 7.805 -1.444 1.00 0.01 H new ATOM 0 HH TYR A 149 5.621 9.431 0.078 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.915 3.656 -2.548 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.801 2.723 -3.315 1.00 0.01 C ATOM 2367 C LEU A 150 -2.371 3.454 -4.530 1.00 0.01 C ATOM 2368 O LEU A 150 -3.034 4.464 -4.407 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.938 2.269 -2.391 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.770 1.160 -3.067 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -3.078 -0.202 -2.913 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -5.155 1.091 -2.412 1.00 0.01 C ATOM 0 H LEU A 150 -1.395 4.270 -1.890 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.238 1.856 -3.659 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.526 1.902 -1.451 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.579 3.117 -2.149 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.866 1.394 -4.127 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.679 -0.972 -3.396 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -2.093 -0.165 -3.379 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.969 -0.437 -1.854 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.744 0.308 -2.889 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -5.045 0.867 -1.351 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.662 2.049 -2.530 1.00 0.01 H new ATOM 2384 N LEU A 151 -2.126 2.937 -5.708 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.659 3.580 -6.946 1.00 0.01 C ATOM 2386 C LEU A 151 -3.963 2.881 -7.339 1.00 0.01 C ATOM 2387 O LEU A 151 -4.119 1.693 -7.139 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.635 3.430 -8.080 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.539 4.490 -7.934 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.208 4.280 -6.612 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.443 4.361 -9.101 1.00 0.01 C ATOM 0 H LEU A 151 -1.576 2.092 -5.865 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.844 4.639 -6.767 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -1.195 2.433 -8.055 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -2.130 3.536 -9.045 1.00 0.01 H new ATOM 0 HG LEU A 151 -0.988 5.483 -7.939 1.00 0.01 H new ATOM 0 HD11 LEU A 151 0.987 5.035 -6.510 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.492 4.367 -5.781 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.661 3.288 -6.603 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.226 5.113 -9.003 1.00 0.01 H new ATOM 0 HD22 LEU A 151 0.891 3.367 -9.091 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -0.088 4.510 -10.041 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.897 3.608 -7.899 1.00 0.01 N ATOM 2404 CA ASP A 152 -6.202 2.993 -8.306 1.00 0.01 C ATOM 2405 C ASP A 152 -6.246 2.837 -9.828 1.00 0.00 C ATOM 2406 O ASP A 152 -5.253 2.997 -10.507 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.345 3.906 -7.853 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.090 4.362 -6.414 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -7.216 3.541 -5.520 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -6.771 5.525 -6.230 1.00 2.27 O ATOM 0 H ASP A 152 -4.813 4.606 -8.094 1.00 0.01 H new ATOM 0 HA ASP A 152 -6.306 2.012 -7.843 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.418 4.771 -8.513 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.295 3.376 -7.915 1.00 1.04 H new ATOM 2415 N LYS A 153 -7.393 2.519 -10.369 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.500 2.344 -11.846 1.00 0.01 C ATOM 2417 C LYS A 153 -7.563 3.718 -12.523 1.00 0.01 C ATOM 2418 O LYS A 153 -8.179 3.883 -13.557 1.00 0.01 O ATOM 2419 CB LYS A 153 -8.758 1.521 -12.192 1.00 0.38 C ATOM 2420 CG LYS A 153 -9.900 1.846 -11.223 1.00 0.71 C ATOM 2421 CD LYS A 153 -10.153 3.355 -11.201 1.00 0.72 C ATOM 2422 CE LYS A 153 -11.508 3.641 -10.551 1.00 1.09 C ATOM 2423 NZ LYS A 153 -11.603 5.092 -10.219 1.00 1.84 N ATOM 0 H LYS A 153 -8.260 2.373 -9.851 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.623 1.808 -12.209 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -9.069 1.736 -13.214 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.527 0.457 -12.146 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -10.806 1.321 -11.526 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -9.649 1.496 -10.222 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -9.360 3.858 -10.648 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -10.135 3.751 -12.216 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -12.315 3.358 -11.227 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -11.624 3.042 -9.648 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -12.524 5.287 -9.777 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -10.841 5.348 -9.559 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -11.510 5.654 -11.089 1.00 1.84 H new ATOM 2437 N LYS A 154 -6.916 4.704 -11.950 1.00 0.00 N ATOM 2438 CA LYS A 154 -6.916 6.076 -12.553 1.00 0.01 C ATOM 2439 C LYS A 154 -5.510 6.401 -13.061 1.00 0.01 C ATOM 2440 O LYS A 154 -4.565 5.681 -12.800 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.308 7.108 -11.487 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.783 6.934 -11.100 1.00 0.48 C ATOM 2443 CD LYS A 154 -9.306 8.213 -10.415 1.00 0.97 C ATOM 2444 CE LYS A 154 -9.804 9.214 -11.468 1.00 1.44 C ATOM 2445 NZ LYS A 154 -11.197 8.861 -11.866 1.00 2.28 N ATOM 0 H LYS A 154 -6.384 4.617 -11.084 1.00 0.00 H new ATOM 0 HA LYS A 154 -7.630 6.109 -13.376 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -6.677 6.990 -10.606 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.140 8.116 -11.867 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.377 6.719 -11.988 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.893 6.082 -10.429 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -10.116 7.962 -9.730 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -8.513 8.665 -9.819 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -9.774 10.227 -11.066 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -9.150 9.198 -12.340 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -11.536 9.538 -12.579 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -11.211 7.901 -12.265 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -11.816 8.898 -11.031 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.365 7.489 -13.774 1.00 0.01 N ATOM 2460 CA GLU A 155 -4.022 7.889 -14.299 1.00 0.01 C ATOM 2461 C GLU A 155 -3.497 9.041 -13.440 1.00 0.01 C ATOM 2462 O GLU A 155 -4.217 9.972 -13.138 1.00 0.01 O ATOM 2463 CB GLU A 155 -4.166 8.349 -15.754 1.00 0.01 C ATOM 2464 CG GLU A 155 -4.998 9.632 -15.812 1.00 0.01 C ATOM 2465 CD GLU A 155 -5.411 9.904 -17.259 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -6.014 9.029 -17.857 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -5.116 10.984 -17.744 1.00 0.01 O ATOM 0 H GLU A 155 -6.126 8.123 -14.017 1.00 0.01 H new ATOM 0 HA GLU A 155 -3.329 7.049 -14.259 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -3.182 8.523 -16.189 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -4.643 7.568 -16.346 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -5.882 9.534 -15.182 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -4.421 10.471 -15.423 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.257 8.979 -13.023 1.00 0.00 N ATOM 2475 CA TYR A 156 -1.697 10.061 -12.158 1.00 0.01 C ATOM 2476 C TYR A 156 -0.854 11.023 -12.994 1.00 0.01 C ATOM 2477 O TYR A 156 0.148 10.638 -13.566 1.00 0.01 O ATOM 2478 CB TYR A 156 -0.847 9.415 -11.067 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.738 8.544 -10.218 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.012 7.229 -10.609 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.301 9.056 -9.046 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -2.850 6.426 -9.825 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.137 8.256 -8.261 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.413 6.941 -8.650 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.241 6.153 -7.877 1.00 0.01 O ATOM 0 H TYR A 156 -1.608 8.224 -13.245 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.507 10.632 -11.704 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.049 8.821 -11.511 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.371 10.181 -10.454 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.578 6.833 -11.515 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -2.090 10.072 -8.746 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.062 5.411 -10.126 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.569 8.653 -7.355 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.545 6.664 -7.098 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.280 12.258 -13.105 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.541 13.244 -13.949 1.00 0.01 C ATOM 2497 C ARG A 157 0.510 13.989 -13.126 1.00 0.00 C ATOM 2498 O ARG A 157 1.521 14.406 -13.653 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.540 14.258 -14.529 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.859 13.553 -14.851 1.00 0.01 C ATOM 2501 CD ARG A 157 -3.711 14.452 -15.751 1.00 0.00 C ATOM 2502 NE ARG A 157 -5.116 13.951 -15.773 1.00 0.01 N ATOM 2503 CZ ARG A 157 -6.074 14.713 -16.223 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -5.805 15.919 -16.647 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -7.301 14.271 -16.243 1.00 0.01 N ATOM 0 H ARG A 157 -2.112 12.626 -12.644 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.036 12.706 -14.751 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -1.712 15.064 -13.815 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -1.130 14.713 -15.431 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -2.664 12.603 -15.348 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -3.397 13.327 -13.930 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -3.686 15.478 -15.385 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -3.303 14.464 -16.762 1.00 0.00 H new ATOM 0 HE ARG A 157 -5.328 13.012 -15.436 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -4.846 16.265 -16.626 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -6.554 16.515 -16.999 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -7.510 13.331 -15.907 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -8.052 14.866 -16.595 1.00 0.01 H new ATOM 2519 N LYS A 158 0.300 14.151 -11.840 1.00 0.01 N ATOM 2520 CA LYS A 158 1.304 14.857 -10.983 1.00 0.01 C ATOM 2521 C LYS A 158 1.703 13.903 -9.847 1.00 0.01 C ATOM 2522 O LYS A 158 0.930 13.048 -9.470 1.00 0.01 O ATOM 2523 CB LYS A 158 0.654 16.122 -10.395 1.00 0.58 C ATOM 2524 CG LYS A 158 0.754 17.274 -11.400 1.00 0.97 C ATOM 2525 CD LYS A 158 0.180 18.547 -10.773 1.00 1.44 C ATOM 2526 CE LYS A 158 0.476 19.742 -11.680 1.00 2.13 C ATOM 2527 NZ LYS A 158 -0.186 19.540 -12.998 1.00 2.54 N ATOM 0 H LYS A 158 -0.529 13.822 -11.346 1.00 0.01 H new ATOM 0 HA LYS A 158 2.182 15.142 -11.562 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.391 15.927 -10.155 1.00 0.58 H new ATOM 0 HB3 LYS A 158 1.149 16.396 -9.463 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.794 17.433 -11.685 1.00 0.97 H new ATOM 0 HG3 LYS A 158 0.208 17.026 -12.310 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -0.896 18.442 -10.632 1.00 1.44 H new ATOM 0 HD3 LYS A 158 0.617 18.708 -9.787 1.00 1.44 H new ATOM 0 HE2 LYS A 158 0.117 20.661 -11.217 1.00 2.13 H new ATOM 0 HE3 LYS A 158 1.552 19.853 -11.814 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -0.175 20.432 -13.532 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 0.324 18.809 -13.534 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -1.170 19.238 -12.850 1.00 2.54 H new ATOM 2541 N PRO A 159 2.874 14.040 -9.280 1.00 0.01 N ATOM 2542 CA PRO A 159 3.268 13.137 -8.165 1.00 0.02 C ATOM 2543 C PRO A 159 2.326 13.295 -6.963 1.00 0.01 C ATOM 2544 O PRO A 159 1.947 12.326 -6.338 1.00 0.01 O ATOM 2545 CB PRO A 159 4.702 13.607 -7.855 1.00 0.41 C ATOM 2546 CG PRO A 159 4.925 14.950 -8.575 1.00 0.70 C ATOM 2547 CD PRO A 159 3.871 15.071 -9.684 1.00 0.28 C ATOM 0 HA PRO A 159 3.213 12.076 -8.410 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.842 13.722 -6.780 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.428 12.867 -8.193 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.837 15.779 -7.873 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.929 14.995 -8.996 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.433 16.068 -9.723 1.00 0.28 H new ATOM 0 HD3 PRO A 159 4.291 14.868 -10.669 1.00 0.28 H new ATOM 2555 N VAL A 160 1.955 14.490 -6.624 1.00 0.01 N ATOM 2556 CA VAL A 160 1.049 14.678 -5.454 1.00 0.02 C ATOM 2557 C VAL A 160 -0.278 13.953 -5.706 1.00 0.02 C ATOM 2558 O VAL A 160 -1.030 13.682 -4.792 1.00 0.02 O ATOM 2559 CB VAL A 160 0.789 16.171 -5.259 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -0.083 16.376 -4.019 1.00 0.86 C ATOM 2561 CG2 VAL A 160 2.123 16.898 -5.073 1.00 0.74 C ATOM 0 H VAL A 160 2.236 15.347 -7.101 1.00 0.01 H new ATOM 0 HA VAL A 160 1.516 14.266 -4.559 1.00 0.02 H new ATOM 0 HB VAL A 160 0.276 16.571 -6.134 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.270 17.440 -3.878 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -1.031 15.855 -4.151 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.430 15.978 -3.143 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.940 17.964 -4.934 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.635 16.500 -4.197 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.745 16.749 -5.956 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.586 13.651 -6.935 1.00 0.00 N ATOM 2572 CA ASP A 161 -1.879 12.969 -7.218 1.00 0.01 C ATOM 2573 C ASP A 161 -1.927 11.550 -6.620 1.00 0.01 C ATOM 2574 O ASP A 161 -2.999 11.009 -6.435 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.084 12.874 -8.732 1.00 0.00 C ATOM 2576 CG ASP A 161 -3.461 12.274 -9.024 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -4.241 12.149 -8.095 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -3.712 11.949 -10.173 1.00 0.00 O ATOM 0 H ASP A 161 -0.004 13.845 -7.750 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.670 13.560 -6.756 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -2.003 13.863 -9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -1.304 12.256 -9.177 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.797 10.947 -6.281 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.848 9.568 -5.660 1.00 0.01 C ATOM 2585 C TRP A 162 -0.660 9.665 -4.138 1.00 0.01 C ATOM 2586 O TRP A 162 -0.446 8.676 -3.467 1.00 0.01 O ATOM 2587 CB TRP A 162 0.175 8.595 -6.281 1.00 0.01 C ATOM 2588 CG TRP A 162 1.529 9.202 -6.457 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.219 9.883 -5.517 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.389 9.142 -7.632 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.444 10.258 -6.049 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.592 9.824 -7.349 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.236 8.573 -8.910 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.613 9.935 -8.295 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.260 8.683 -9.865 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.446 9.364 -9.557 1.00 0.01 C ATOM 0 H TRP A 162 0.137 11.339 -6.404 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.834 9.155 -5.874 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.259 7.712 -5.647 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.194 8.258 -7.250 1.00 0.01 H new ATOM 0 HD1 TRP A 162 1.874 10.100 -4.517 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.150 10.790 -5.540 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.325 8.048 -9.158 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.525 10.459 -8.052 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 3.133 8.241 -10.842 1.00 0.01 H new ATOM 0 HH2 TRP A 162 5.229 9.447 -10.296 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.810 10.842 -3.581 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.718 10.995 -2.093 1.00 0.01 C ATOM 2609 C GLY A 163 0.721 11.185 -1.597 1.00 0.01 C ATOM 2610 O GLY A 163 0.979 11.129 -0.411 1.00 0.01 O ATOM 0 H GLY A 163 -0.993 11.705 -4.092 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.319 11.850 -1.784 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -1.148 10.114 -1.616 1.00 0.01 H new ATOM 2614 N ALA A 164 1.662 11.397 -2.477 1.00 0.01 N ATOM 2615 CA ALA A 164 3.084 11.575 -2.030 1.00 0.02 C ATOM 2616 C ALA A 164 3.449 13.059 -2.011 1.00 0.01 C ATOM 2617 O ALA A 164 3.070 13.820 -2.878 1.00 0.02 O ATOM 2618 CB ALA A 164 4.012 10.884 -3.024 1.00 0.01 C ATOM 0 H ALA A 164 1.514 11.455 -3.484 1.00 0.01 H new ATOM 0 HA ALA A 164 3.191 11.150 -1.032 1.00 0.02 H new ATOM 0 HB1 ALA A 164 5.046 11.010 -2.704 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.773 9.822 -3.067 1.00 0.01 H new ATOM 0 HB3 ALA A 164 3.881 11.326 -4.012 1.00 0.01 H new ATOM 2624 N ALA A 165 4.196 13.466 -1.022 1.00 0.02 N ATOM 2625 CA ALA A 165 4.614 14.893 -0.925 1.00 0.01 C ATOM 2626 C ALA A 165 5.875 15.121 -1.765 1.00 0.02 C ATOM 2627 O ALA A 165 6.317 16.238 -1.937 1.00 0.01 O ATOM 2628 CB ALA A 165 4.912 15.247 0.533 1.00 0.59 C ATOM 0 H ALA A 165 4.537 12.866 -0.271 1.00 0.02 H new ATOM 0 HA ALA A 165 3.807 15.525 -1.297 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.217 16.291 0.599 1.00 0.59 H new ATOM 0 HB2 ALA A 165 4.017 15.092 1.135 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.715 14.610 0.905 1.00 0.59 H new ATOM 2634 N SER A 166 6.457 14.071 -2.294 1.00 0.01 N ATOM 2635 CA SER A 166 7.690 14.226 -3.133 1.00 0.01 C ATOM 2636 C SER A 166 7.618 13.256 -4.329 1.00 0.02 C ATOM 2637 O SER A 166 7.018 12.204 -4.223 1.00 0.01 O ATOM 2638 CB SER A 166 8.920 13.891 -2.286 1.00 0.72 C ATOM 2639 OG SER A 166 8.696 12.668 -1.597 1.00 0.87 O ATOM 0 H SER A 166 6.131 13.111 -2.181 1.00 0.01 H new ATOM 0 HA SER A 166 7.760 15.251 -3.496 1.00 0.01 H new ATOM 0 HB2 SER A 166 9.802 13.808 -2.921 1.00 0.72 H new ATOM 0 HB3 SER A 166 9.115 14.693 -1.574 1.00 0.72 H new ATOM 0 HG SER A 166 9.482 12.449 -1.055 1.00 0.87 H new ATOM 2645 N PRO A 167 8.229 13.575 -5.458 1.00 0.02 N ATOM 2646 CA PRO A 167 8.194 12.651 -6.632 1.00 0.01 C ATOM 2647 C PRO A 167 9.129 11.449 -6.444 1.00 0.01 C ATOM 2648 O PRO A 167 9.472 10.763 -7.392 1.00 0.01 O ATOM 2649 CB PRO A 167 8.706 13.556 -7.763 1.00 0.38 C ATOM 2650 CG PRO A 167 9.488 14.704 -7.112 1.00 0.35 C ATOM 2651 CD PRO A 167 8.979 14.854 -5.667 1.00 0.22 C ATOM 0 HA PRO A 167 7.209 12.219 -6.807 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.345 12.994 -8.445 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.874 13.943 -8.351 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.557 14.492 -7.121 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.342 15.630 -7.668 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.798 14.966 -4.957 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.336 15.726 -5.551 1.00 0.22 H new ATOM 2659 N ALA A 168 9.574 11.202 -5.241 1.00 0.01 N ATOM 2660 CA ALA A 168 10.513 10.066 -5.035 1.00 0.01 C ATOM 2661 C ALA A 168 9.749 8.748 -4.910 1.00 0.01 C ATOM 2662 O ALA A 168 8.945 8.549 -4.026 1.00 0.02 O ATOM 2663 CB ALA A 168 11.314 10.300 -3.752 1.00 0.18 C ATOM 0 H ALA A 168 9.331 11.731 -4.403 1.00 0.01 H new ATOM 0 HA ALA A 168 11.181 10.007 -5.894 1.00 0.01 H new ATOM 0 HB1 ALA A 168 12.003 9.470 -3.597 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.878 11.229 -3.839 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.632 10.368 -2.905 1.00 0.18 H new ATOM 2669 N ILE A 169 10.056 7.850 -5.803 1.00 0.01 N ATOM 2670 CA ILE A 169 9.435 6.494 -5.824 1.00 0.01 C ATOM 2671 C ILE A 169 10.502 5.562 -6.405 1.00 0.01 C ATOM 2672 O ILE A 169 11.018 5.802 -7.478 1.00 0.01 O ATOM 2673 CB ILE A 169 8.168 6.542 -6.717 1.00 1.81 C ATOM 2674 CG1 ILE A 169 6.912 6.887 -5.866 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.953 5.197 -7.427 1.00 2.24 C ATOM 2676 CD1 ILE A 169 5.949 7.774 -6.668 1.00 3.99 C ATOM 0 H ILE A 169 10.737 8.006 -6.546 1.00 0.01 H new ATOM 0 HA ILE A 169 9.125 6.147 -4.838 1.00 0.01 H new ATOM 0 HB ILE A 169 8.316 7.319 -7.467 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.406 5.970 -5.565 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.213 7.400 -4.953 1.00 2.75 H new ATOM 0 HG21 ILE A 169 7.059 5.252 -8.048 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.817 4.974 -8.053 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.830 4.409 -6.684 1.00 2.24 H new ATOM 0 HD11 ILE A 169 5.076 8.006 -6.059 1.00 3.99 H new ATOM 0 HD12 ILE A 169 6.453 8.699 -6.947 1.00 3.99 H new ATOM 0 HD13 ILE A 169 5.633 7.247 -7.568 1.00 3.99 H new ATOM 2688 N GLN A 170 10.876 4.529 -5.685 1.00 0.01 N ATOM 2689 CA GLN A 170 11.961 3.614 -6.171 1.00 0.01 C ATOM 2690 C GLN A 170 11.447 2.211 -6.524 1.00 0.02 C ATOM 2691 O GLN A 170 12.169 1.455 -7.145 1.00 0.01 O ATOM 2692 CB GLN A 170 13.035 3.509 -5.076 1.00 2.62 C ATOM 2693 CG GLN A 170 13.911 4.774 -5.078 1.00 3.39 C ATOM 2694 CD GLN A 170 13.027 6.024 -5.098 1.00 4.36 C ATOM 2695 OE1 GLN A 170 12.335 6.310 -4.142 1.00 4.83 O ATOM 2696 NE2 GLN A 170 13.021 6.789 -6.156 1.00 5.17 N ATOM 0 H GLN A 170 10.476 4.280 -4.780 1.00 0.01 H new ATOM 0 HA GLN A 170 12.370 4.037 -7.088 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.562 3.385 -4.102 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.654 2.628 -5.245 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.550 4.785 -4.195 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.568 4.770 -5.947 1.00 3.39 H new ATOM 0 HE21 GLN A 170 13.601 6.551 -6.961 1.00 5.17 H new ATOM 0 HE22 GLN A 170 12.436 7.624 -6.178 1.00 5.17 H new ATOM 2705 N SER A 171 10.251 1.804 -6.168 1.00 0.01 N ATOM 2706 CA SER A 171 9.838 0.414 -6.553 1.00 0.01 C ATOM 2707 C SER A 171 8.317 0.309 -6.583 1.00 0.01 C ATOM 2708 O SER A 171 7.619 1.082 -5.963 1.00 0.01 O ATOM 2709 CB SER A 171 10.393 -0.576 -5.534 1.00 0.01 C ATOM 2710 OG SER A 171 11.809 -0.539 -5.579 1.00 0.02 O ATOM 0 H SER A 171 9.564 2.350 -5.647 1.00 0.01 H new ATOM 0 HA SER A 171 10.230 0.186 -7.544 1.00 0.01 H new ATOM 0 HB2 SER A 171 10.041 -0.324 -4.534 1.00 0.01 H new ATOM 0 HB3 SER A 171 10.035 -1.582 -5.753 1.00 0.01 H new ATOM 0 HG SER A 171 12.158 -1.452 -5.651 1.00 0.02 H new ATOM 2716 N PHE A 172 7.794 -0.662 -7.291 1.00 0.01 N ATOM 2717 CA PHE A 172 6.310 -0.828 -7.339 1.00 0.01 C ATOM 2718 C PHE A 172 5.951 -2.289 -7.613 1.00 0.01 C ATOM 2719 O PHE A 172 6.729 -3.039 -8.173 1.00 0.01 O ATOM 2720 CB PHE A 172 5.708 0.075 -8.424 1.00 1.06 C ATOM 2721 CG PHE A 172 6.279 -0.264 -9.783 1.00 0.75 C ATOM 2722 CD1 PHE A 172 5.824 -1.391 -10.476 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.252 0.563 -10.358 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.344 -1.693 -11.740 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.771 0.262 -11.622 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.318 -0.867 -12.313 1.00 1.92 C ATOM 0 H PHE A 172 8.327 -1.342 -7.834 1.00 0.01 H new ATOM 0 HA PHE A 172 5.896 -0.539 -6.373 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.624 -0.042 -8.441 1.00 1.06 H new ATOM 0 HB3 PHE A 172 5.913 1.119 -8.189 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.071 -2.028 -10.036 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.602 1.434 -9.825 1.00 1.29 H new ATOM 0 HE1 PHE A 172 5.993 -2.564 -12.274 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.521 0.901 -12.064 1.00 2.02 H new ATOM 0 HZ PHE A 172 7.720 -1.101 -13.288 1.00 1.92 H new ATOM 2736 N ARG A 173 4.780 -2.708 -7.200 1.00 0.01 N ATOM 2737 CA ARG A 173 4.366 -4.129 -7.413 1.00 0.01 C ATOM 2738 C ARG A 173 2.867 -4.203 -7.706 1.00 0.01 C ATOM 2739 O ARG A 173 2.081 -3.409 -7.222 1.00 0.01 O ATOM 2740 CB ARG A 173 4.638 -4.937 -6.140 1.00 0.01 C ATOM 2741 CG ARG A 173 6.141 -5.054 -5.890 1.00 0.01 C ATOM 2742 CD ARG A 173 6.385 -6.122 -4.820 1.00 0.01 C ATOM 2743 NE ARG A 173 5.312 -6.040 -3.789 1.00 0.01 N ATOM 2744 CZ ARG A 173 5.129 -7.027 -2.954 1.00 0.01 C ATOM 2745 NH1 ARG A 173 5.882 -8.090 -3.025 1.00 0.01 N ATOM 2746 NH2 ARG A 173 4.190 -6.951 -2.050 1.00 0.01 N ATOM 0 H ARG A 173 4.092 -2.125 -6.723 1.00 0.01 H new ATOM 0 HA ARG A 173 4.931 -4.532 -8.253 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.158 -4.456 -5.288 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.201 -5.931 -6.233 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.657 -5.320 -6.813 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.545 -4.095 -5.564 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.394 -7.113 -5.274 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.361 -5.974 -4.358 1.00 0.01 H new ATOM 0 HE ARG A 173 4.720 -5.211 -3.736 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.614 -8.150 -3.733 1.00 0.01 H new ATOM 0 HH12 ARG A 173 5.739 -8.861 -2.373 1.00 0.01 H new ATOM 0 HH21 ARG A 173 3.600 -6.121 -1.996 1.00 0.01 H new ATOM 0 HH22 ARG A 173 4.047 -7.722 -1.398 1.00 0.01 H new ATOM 2760 N ARG A 174 2.468 -5.176 -8.479 1.00 0.01 N ATOM 2761 CA ARG A 174 1.022 -5.348 -8.797 1.00 0.01 C ATOM 2762 C ARG A 174 0.379 -6.193 -7.695 1.00 0.01 C ATOM 2763 O ARG A 174 0.978 -7.115 -7.180 1.00 0.01 O ATOM 2764 CB ARG A 174 0.864 -6.070 -10.136 1.00 0.01 C ATOM 2765 CG ARG A 174 1.545 -7.438 -10.063 1.00 0.01 C ATOM 2766 CD ARG A 174 1.629 -8.041 -11.466 1.00 0.01 C ATOM 2767 NE ARG A 174 2.386 -9.323 -11.412 1.00 0.01 N ATOM 2768 CZ ARG A 174 2.328 -10.157 -12.414 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.599 -9.872 -13.458 1.00 0.01 N ATOM 2770 NH2 ARG A 174 2.996 -11.276 -12.373 1.00 0.01 N ATOM 0 H ARG A 174 3.087 -5.864 -8.907 1.00 0.01 H new ATOM 0 HA ARG A 174 0.542 -4.371 -8.859 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -0.193 -6.191 -10.373 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.305 -5.475 -10.936 1.00 0.01 H new ATOM 0 HG2 ARG A 174 2.544 -7.337 -9.639 1.00 0.01 H new ATOM 0 HG3 ARG A 174 0.984 -8.101 -9.404 1.00 0.01 H new ATOM 0 HD2 ARG A 174 0.627 -8.214 -11.859 1.00 0.01 H new ATOM 0 HD3 ARG A 174 2.122 -7.344 -12.144 1.00 0.01 H new ATOM 0 HE ARG A 174 2.949 -9.549 -10.592 1.00 0.01 H new ATOM 0 HH11 ARG A 174 1.075 -8.998 -13.491 1.00 0.01 H new ATOM 0 HH12 ARG A 174 1.553 -10.524 -14.241 1.00 0.01 H new ATOM 0 HH21 ARG A 174 3.565 -11.501 -11.557 1.00 0.01 H new ATOM 0 HH22 ARG A 174 2.949 -11.927 -13.157 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.839 -5.893 -7.333 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.517 -6.692 -6.266 1.00 0.01 C ATOM 2786 C ILE A 175 -2.353 -7.802 -6.903 1.00 0.00 C ATOM 2787 O ILE A 175 -3.156 -7.556 -7.781 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.429 -5.791 -5.433 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.693 -4.487 -5.113 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.792 -6.502 -4.128 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.514 -3.648 -4.123 1.00 3.04 C ATOM 0 H ILE A 175 -1.394 -5.133 -7.727 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.756 -7.130 -5.620 1.00 0.01 H new ATOM 0 HB ILE A 175 -3.338 -5.572 -5.993 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.713 -4.708 -4.690 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.524 -3.921 -6.029 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -3.442 -5.861 -3.533 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -3.310 -7.434 -4.353 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.883 -6.718 -3.566 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.982 -2.723 -3.902 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.484 -3.413 -4.562 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.660 -4.212 -3.202 1.00 3.04 H new ATOM 2803 N VAL A 176 -2.176 -9.026 -6.467 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.962 -10.162 -7.044 1.00 0.00 C ATOM 2805 C VAL A 176 -3.437 -11.083 -5.919 1.00 0.01 C ATOM 2806 O VAL A 176 -2.772 -11.250 -4.915 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.080 -10.968 -7.998 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.895 -12.110 -8.608 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -1.573 -10.053 -9.113 1.00 1.89 C ATOM 0 H VAL A 176 -1.518 -9.288 -5.733 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.820 -9.760 -7.583 1.00 0.00 H new ATOM 0 HB VAL A 176 -1.233 -11.381 -7.449 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.265 -12.684 -9.288 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -3.259 -12.762 -7.814 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -3.742 -11.699 -9.158 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -0.944 -10.625 -9.795 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -2.421 -9.642 -9.660 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -0.992 -9.239 -8.680 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.581 -11.684 -6.084 1.00 0.01 N ATOM 2820 CA GLU A 177 -5.109 -12.599 -5.033 1.00 0.01 C ATOM 2821 C GLU A 177 -5.076 -11.887 -3.680 1.00 0.01 C ATOM 2822 O GLU A 177 -4.063 -11.853 -3.010 1.00 0.01 O ATOM 2823 CB GLU A 177 -4.238 -13.861 -4.973 1.00 2.15 C ATOM 2824 CG GLU A 177 -4.862 -14.883 -4.015 1.00 3.19 C ATOM 2825 CD GLU A 177 -4.573 -14.478 -2.567 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -3.416 -14.243 -2.260 1.00 4.77 O ATOM 2827 OE2 GLU A 177 -5.513 -14.408 -1.793 1.00 4.89 O ATOM 0 H GLU A 177 -5.177 -11.581 -6.906 1.00 0.01 H new ATOM 0 HA GLU A 177 -6.135 -12.879 -5.271 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -4.142 -14.295 -5.968 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -3.233 -13.604 -4.639 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -5.938 -14.939 -4.179 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -4.457 -15.875 -4.213 1.00 3.19 H new