USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1085 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 125 GLN : amide:sc= -0.0647 X(o=1.8,f=1.7) USER MOD Set 1.2: A 127 TYR OH : rot 50:sc= 1.84! USER MOD Set 2.1: A 102 HIS : no HD1:sc= -0.0887 K(o=-1.2,f=-16!) USER MOD Set 2.2: A 107 GLN : amide:sc= -1.08! C(o=-1.2!,f=-9!) USER MOD Set 3.1: A 92 LYS NZ :NH3+ -173:sc= -3.55! (180deg=-2.97!) USER MOD Set 3.2: A 143 TYR OH : rot 0:sc= -3.23! USER MOD Set 4.1: A 88 SER OG : rot -44:sc= -2.2! USER MOD Set 4.2: A 89 HIS : no HE2:sc= -5.84! C(o=-10!,f=-8!) USER MOD Set 4.3: A 142 CYS SG : rot -157:sc= -2.27 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 71 THR OG1 : rot 36:sc= 0.0561 USER MOD Single : A 73 GLN : amide:sc= -1.29! K(o=-1.3!,f=0) USER MOD Single : A 79 MET CE :methyl -117:sc= 0 (180deg=-0.259) USER MOD Single : A 80 THR OG1 : rot -170:sc= -1.07! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= -0.102 (180deg=-0.627) USER MOD Single : A 103 SER OG : rot 180:sc=-0.00391 USER MOD Single : A 104 GLN : amide:sc= -0.028 K(o=-0.028,f=-1.1) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -3.96 K(o=-4,f=-11!) USER MOD Single : A 117 THR OG1 : rot -113:sc= 0.63 USER MOD Single : A 118 GLN : amide:sc= -6.22! C(o=-6.2!,f=-4.9!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -3.76! C(o=-3.8!,f=-2.7!) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : A 135 TYR OH : rot 180:sc= -0.0157 USER MOD Single : A 138 THR OG1 : rot -114:sc= 1.2 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 ASN : amide:sc= -0.976 K(o=-0.98,f=0) USER MOD Single : A 158 LYS NZ :NH3+ -160:sc= -0.112 (180deg=-0.874) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 192 HIS : no HD1:sc= -0.49 X(o=-0.49,f=-0.11) USER MOD Single : A 193 HIS : no HE2:sc= -0.297 K(o=-0.3,f=-1.7) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 199 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-3.4!) USER MOD Single : A 202 TYR OH : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 205 ASN : amide:sc= -3.26! K(o=-3.3!,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 56 8.969 15.890 1.469 1.00 4.61 N ATOM 2 CA ALA A 56 9.697 14.638 1.125 1.00 3.98 C ATOM 3 C ALA A 56 9.103 14.042 -0.154 1.00 3.15 C ATOM 4 O ALA A 56 8.834 14.745 -1.108 1.00 3.23 O ATOM 5 CB ALA A 56 9.563 13.638 2.279 1.00 4.70 C ATOM 0 HA ALA A 56 10.752 14.857 0.963 1.00 3.98 H new ATOM 0 HB1 ALA A 56 10.095 12.720 2.029 1.00 4.70 H new ATOM 0 HB2 ALA A 56 9.989 14.069 3.185 1.00 4.70 H new ATOM 0 HB3 ALA A 56 8.510 13.412 2.445 1.00 4.70 H new ATOM 11 N TRP A 57 8.892 12.755 -0.185 1.00 2.75 N ATOM 12 CA TRP A 57 8.311 12.137 -1.407 1.00 2.31 C ATOM 13 C TRP A 57 6.849 12.563 -1.522 1.00 1.71 C ATOM 14 O TRP A 57 6.241 12.462 -2.570 1.00 2.05 O ATOM 15 CB TRP A 57 8.410 10.610 -1.330 1.00 2.59 C ATOM 16 CG TRP A 57 7.753 10.106 -0.081 1.00 2.15 C ATOM 17 CD1 TRP A 57 8.279 10.190 1.164 1.00 2.38 C ATOM 18 CD2 TRP A 57 6.471 9.425 0.064 1.00 1.56 C ATOM 19 NE1 TRP A 57 7.397 9.617 2.062 1.00 2.03 N ATOM 20 CE2 TRP A 57 6.269 9.130 1.432 1.00 1.45 C ATOM 21 CE3 TRP A 57 5.473 9.044 -0.850 1.00 1.38 C ATOM 22 CZ2 TRP A 57 5.118 8.478 1.879 1.00 1.05 C ATOM 23 CZ3 TRP A 57 4.314 8.386 -0.405 1.00 1.05 C ATOM 24 CH2 TRP A 57 4.137 8.104 0.957 1.00 0.77 C ATOM 0 H TRP A 57 9.096 12.109 0.578 1.00 2.75 H new ATOM 0 HA TRP A 57 8.865 12.470 -2.285 1.00 2.31 H new ATOM 0 HB2 TRP A 57 7.935 10.164 -2.204 1.00 2.59 H new ATOM 0 HB3 TRP A 57 9.457 10.306 -1.346 1.00 2.59 H new ATOM 0 HD1 TRP A 57 9.232 10.632 1.415 1.00 2.38 H new ATOM 0 HE1 TRP A 57 7.560 9.561 3.067 1.00 2.03 H new ATOM 0 HE3 TRP A 57 5.598 9.258 -1.901 1.00 1.38 H new ATOM 0 HZ2 TRP A 57 4.987 8.264 2.930 1.00 1.05 H new ATOM 0 HZ3 TRP A 57 3.555 8.096 -1.116 1.00 1.05 H new ATOM 0 HH2 TRP A 57 3.244 7.598 1.293 1.00 0.77 H new ATOM 35 N LEU A 58 6.288 13.064 -0.454 1.00 1.60 N ATOM 36 CA LEU A 58 4.872 13.525 -0.499 1.00 1.99 C ATOM 37 C LEU A 58 4.840 14.955 -1.043 1.00 2.51 C ATOM 38 O LEU A 58 3.854 15.400 -1.593 1.00 3.09 O ATOM 39 CB LEU A 58 4.279 13.506 0.916 1.00 2.55 C ATOM 40 CG LEU A 58 4.075 12.051 1.388 1.00 2.63 C ATOM 41 CD1 LEU A 58 4.038 12.008 2.919 1.00 2.73 C ATOM 42 CD2 LEU A 58 2.753 11.492 0.842 1.00 3.22 C ATOM 0 H LEU A 58 6.751 13.174 0.448 1.00 1.60 H new ATOM 0 HA LEU A 58 4.288 12.866 -1.141 1.00 1.99 H new ATOM 0 HB2 LEU A 58 4.943 14.030 1.604 1.00 2.55 H new ATOM 0 HB3 LEU A 58 3.327 14.036 0.926 1.00 2.55 H new ATOM 0 HG LEU A 58 4.902 11.446 1.017 1.00 2.63 H new ATOM 0 HD11 LEU A 58 3.894 10.980 3.251 1.00 2.73 H new ATOM 0 HD12 LEU A 58 4.979 12.389 3.317 1.00 2.73 H new ATOM 0 HD13 LEU A 58 3.215 12.625 3.281 1.00 2.73 H new ATOM 0 HD21 LEU A 58 2.624 10.465 1.184 1.00 3.22 H new ATOM 0 HD22 LEU A 58 1.924 12.101 1.202 1.00 3.22 H new ATOM 0 HD23 LEU A 58 2.772 11.512 -0.248 1.00 3.22 H new ATOM 54 N GLU A 59 5.920 15.676 -0.893 1.00 2.68 N ATOM 55 CA GLU A 59 5.960 17.077 -1.401 1.00 3.25 C ATOM 56 C GLU A 59 6.127 17.056 -2.920 1.00 3.14 C ATOM 57 O GLU A 59 6.176 18.082 -3.567 1.00 3.52 O ATOM 58 CB GLU A 59 7.139 17.820 -0.759 1.00 3.87 C ATOM 59 CG GLU A 59 7.060 19.316 -1.092 1.00 4.68 C ATOM 60 CD GLU A 59 7.959 20.103 -0.136 1.00 5.43 C ATOM 61 OE1 GLU A 59 8.935 19.538 0.327 1.00 5.81 O ATOM 62 OE2 GLU A 59 7.655 21.258 0.114 1.00 5.92 O ATOM 0 H GLU A 59 6.776 15.354 -0.440 1.00 2.68 H new ATOM 0 HA GLU A 59 5.032 17.589 -1.145 1.00 3.25 H new ATOM 0 HB2 GLU A 59 7.124 17.678 0.322 1.00 3.87 H new ATOM 0 HB3 GLU A 59 8.081 17.407 -1.122 1.00 3.87 H new ATOM 0 HG2 GLU A 59 7.371 19.486 -2.123 1.00 4.68 H new ATOM 0 HG3 GLU A 59 6.030 19.664 -1.008 1.00 4.68 H new ATOM 69 N ALA A 60 6.212 15.888 -3.492 1.00 3.25 N ATOM 70 CA ALA A 60 6.370 15.793 -4.969 1.00 3.79 C ATOM 71 C ALA A 60 5.057 16.192 -5.641 1.00 3.93 C ATOM 72 O ALA A 60 4.134 15.408 -5.736 1.00 4.34 O ATOM 73 CB ALA A 60 6.724 14.355 -5.356 1.00 4.57 C ATOM 0 H ALA A 60 6.179 14.995 -3.000 1.00 3.25 H new ATOM 0 HA ALA A 60 7.168 16.461 -5.295 1.00 3.79 H new ATOM 0 HB1 ALA A 60 6.839 14.287 -6.438 1.00 4.57 H new ATOM 0 HB2 ALA A 60 7.658 14.068 -4.873 1.00 4.57 H new ATOM 0 HB3 ALA A 60 5.927 13.685 -5.033 1.00 4.57 H new ATOM 79 N GLN A 61 4.965 17.407 -6.106 1.00 4.11 N ATOM 80 CA GLN A 61 3.709 17.860 -6.772 1.00 4.74 C ATOM 81 C GLN A 61 3.712 17.390 -8.227 1.00 4.98 C ATOM 82 O GLN A 61 3.512 16.225 -8.510 1.00 5.45 O ATOM 83 CB GLN A 61 3.630 19.388 -6.715 1.00 5.31 C ATOM 84 CG GLN A 61 3.375 19.825 -5.269 1.00 5.77 C ATOM 85 CD GLN A 61 3.206 21.343 -5.210 1.00 6.31 C ATOM 86 OE1 GLN A 61 3.682 22.056 -6.071 1.00 6.59 O ATOM 87 NE2 GLN A 61 2.545 21.872 -4.217 1.00 6.81 N ATOM 0 H GLN A 61 5.705 18.107 -6.054 1.00 4.11 H new ATOM 0 HA GLN A 61 2.844 17.437 -6.261 1.00 4.74 H new ATOM 0 HB2 GLN A 61 4.558 19.826 -7.082 1.00 5.31 H new ATOM 0 HB3 GLN A 61 2.830 19.747 -7.363 1.00 5.31 H new ATOM 0 HG2 GLN A 61 2.481 19.335 -4.883 1.00 5.77 H new ATOM 0 HG3 GLN A 61 4.206 19.517 -4.634 1.00 5.77 H new ATOM 0 HE21 GLN A 61 2.145 21.274 -3.494 1.00 6.81 H new ATOM 0 HE22 GLN A 61 2.428 22.884 -4.164 1.00 6.81 H new ATOM 96 N GLU A 62 3.943 18.284 -9.156 1.00 5.00 N ATOM 97 CA GLU A 62 3.966 17.892 -10.602 1.00 5.58 C ATOM 98 C GLU A 62 5.420 17.812 -11.074 1.00 5.55 C ATOM 99 O GLU A 62 5.758 17.039 -11.949 1.00 5.67 O ATOM 100 CB GLU A 62 3.220 18.943 -11.431 1.00 6.14 C ATOM 101 CG GLU A 62 3.605 20.348 -10.951 1.00 6.74 C ATOM 102 CD GLU A 62 3.266 21.374 -12.037 1.00 7.42 C ATOM 103 OE1 GLU A 62 2.097 21.498 -12.361 1.00 7.91 O ATOM 104 OE2 GLU A 62 4.182 22.014 -12.526 1.00 7.69 O ATOM 0 H GLU A 62 4.117 19.273 -8.976 1.00 5.00 H new ATOM 0 HA GLU A 62 3.482 16.924 -10.727 1.00 5.58 H new ATOM 0 HB2 GLU A 62 3.466 18.829 -12.487 1.00 6.14 H new ATOM 0 HB3 GLU A 62 2.144 18.798 -11.337 1.00 6.14 H new ATOM 0 HG2 GLU A 62 3.072 20.588 -10.031 1.00 6.74 H new ATOM 0 HG3 GLU A 62 4.670 20.385 -10.721 1.00 6.74 H new ATOM 111 N GLU A 63 6.283 18.606 -10.501 1.00 5.72 N ATOM 112 CA GLU A 63 7.712 18.575 -10.917 1.00 6.01 C ATOM 113 C GLU A 63 8.274 17.168 -10.708 1.00 5.97 C ATOM 114 O GLU A 63 7.542 16.222 -10.495 1.00 6.17 O ATOM 115 CB GLU A 63 8.511 19.575 -10.074 1.00 6.54 C ATOM 116 CG GLU A 63 8.361 19.234 -8.588 1.00 6.72 C ATOM 117 CD GLU A 63 8.831 20.419 -7.739 1.00 7.22 C ATOM 118 OE1 GLU A 63 8.257 21.488 -7.878 1.00 7.44 O ATOM 119 OE2 GLU A 63 9.752 20.236 -6.960 1.00 7.67 O ATOM 0 H GLU A 63 6.060 19.274 -9.763 1.00 5.72 H new ATOM 0 HA GLU A 63 7.790 18.844 -11.970 1.00 6.01 H new ATOM 0 HB2 GLU A 63 9.563 19.547 -10.359 1.00 6.54 H new ATOM 0 HB3 GLU A 63 8.157 20.589 -10.262 1.00 6.54 H new ATOM 0 HG2 GLU A 63 7.321 19.001 -8.361 1.00 6.72 H new ATOM 0 HG3 GLU A 63 8.946 18.346 -8.347 1.00 6.72 H new ATOM 126 N GLU A 64 9.573 17.026 -10.763 1.00 6.07 N ATOM 127 CA GLU A 64 10.208 15.687 -10.566 1.00 6.34 C ATOM 128 C GLU A 64 11.425 15.852 -9.659 1.00 6.12 C ATOM 129 O GLU A 64 11.739 14.994 -8.858 1.00 6.31 O ATOM 130 CB GLU A 64 10.648 15.132 -11.920 1.00 6.85 C ATOM 131 CG GLU A 64 11.336 13.779 -11.724 1.00 7.36 C ATOM 132 CD GLU A 64 11.492 13.089 -13.081 1.00 8.01 C ATOM 133 OE1 GLU A 64 10.478 12.743 -13.666 1.00 8.36 O ATOM 134 OE2 GLU A 64 12.620 12.920 -13.511 1.00 8.39 O ATOM 0 H GLU A 64 10.228 17.788 -10.938 1.00 6.07 H new ATOM 0 HA GLU A 64 9.497 14.998 -10.110 1.00 6.34 H new ATOM 0 HB2 GLU A 64 9.785 15.020 -12.576 1.00 6.85 H new ATOM 0 HB3 GLU A 64 11.329 15.830 -12.406 1.00 6.85 H new ATOM 0 HG2 GLU A 64 12.312 13.919 -11.260 1.00 7.36 H new ATOM 0 HG3 GLU A 64 10.749 13.154 -11.051 1.00 7.36 H new ATOM 141 N GLU A 65 12.107 16.958 -9.776 1.00 6.04 N ATOM 142 CA GLU A 65 13.301 17.196 -8.920 1.00 6.09 C ATOM 143 C GLU A 65 12.867 17.237 -7.454 1.00 5.38 C ATOM 144 O GLU A 65 12.260 18.188 -7.004 1.00 5.46 O ATOM 145 CB GLU A 65 13.936 18.535 -9.301 1.00 6.80 C ATOM 146 CG GLU A 65 15.316 18.660 -8.648 1.00 7.45 C ATOM 147 CD GLU A 65 16.332 17.820 -9.426 1.00 7.99 C ATOM 148 OE1 GLU A 65 16.770 18.273 -10.469 1.00 8.13 O ATOM 149 OE2 GLU A 65 16.654 16.737 -8.964 1.00 8.49 O ATOM 0 H GLU A 65 11.887 17.709 -10.430 1.00 6.04 H new ATOM 0 HA GLU A 65 14.026 16.395 -9.065 1.00 6.09 H new ATOM 0 HB2 GLU A 65 14.028 18.609 -10.385 1.00 6.80 H new ATOM 0 HB3 GLU A 65 13.296 19.356 -8.979 1.00 6.80 H new ATOM 0 HG2 GLU A 65 15.629 19.704 -8.632 1.00 7.45 H new ATOM 0 HG3 GLU A 65 15.270 18.325 -7.612 1.00 7.45 H new ATOM 156 N VAL A 66 13.171 16.212 -6.706 1.00 4.95 N ATOM 157 CA VAL A 66 12.774 16.191 -5.271 1.00 4.48 C ATOM 158 C VAL A 66 13.799 16.980 -4.457 1.00 4.72 C ATOM 159 O VAL A 66 14.273 18.022 -4.866 1.00 5.03 O ATOM 160 CB VAL A 66 12.733 14.735 -4.778 1.00 4.18 C ATOM 161 CG1 VAL A 66 11.845 14.627 -3.526 1.00 3.90 C ATOM 162 CG2 VAL A 66 12.176 13.839 -5.890 1.00 4.35 C ATOM 0 H VAL A 66 13.678 15.387 -7.028 1.00 4.95 H new ATOM 0 HA VAL A 66 11.789 16.642 -5.151 1.00 4.48 H new ATOM 0 HB VAL A 66 13.742 14.412 -4.521 1.00 4.18 H new ATOM 0 HG11 VAL A 66 11.822 13.592 -3.184 1.00 3.90 H new ATOM 0 HG12 VAL A 66 12.250 15.261 -2.737 1.00 3.90 H new ATOM 0 HG13 VAL A 66 10.833 14.951 -3.769 1.00 3.90 H new ATOM 0 HG21 VAL A 66 12.146 12.806 -5.544 1.00 4.35 H new ATOM 0 HG22 VAL A 66 11.169 14.165 -6.149 1.00 4.35 H new ATOM 0 HG23 VAL A 66 12.817 13.908 -6.769 1.00 4.35 H new ATOM 172 N GLY A 67 14.144 16.476 -3.311 1.00 4.94 N ATOM 173 CA GLY A 67 15.147 17.167 -2.450 1.00 5.45 C ATOM 174 C GLY A 67 16.550 16.716 -2.860 1.00 5.43 C ATOM 175 O GLY A 67 17.473 17.503 -2.921 1.00 5.79 O ATOM 0 H GLY A 67 13.773 15.607 -2.927 1.00 4.94 H new ATOM 0 HA2 GLY A 67 15.053 18.248 -2.556 1.00 5.45 H new ATOM 0 HA3 GLY A 67 14.968 16.933 -1.401 1.00 5.45 H new ATOM 179 N PHE A 68 16.715 15.450 -3.148 1.00 5.26 N ATOM 180 CA PHE A 68 18.057 14.943 -3.562 1.00 5.45 C ATOM 181 C PHE A 68 17.879 13.677 -4.419 1.00 4.79 C ATOM 182 O PHE A 68 16.939 12.931 -4.229 1.00 4.49 O ATOM 183 CB PHE A 68 18.877 14.601 -2.315 1.00 6.13 C ATOM 184 CG PHE A 68 18.039 13.768 -1.369 1.00 6.37 C ATOM 185 CD1 PHE A 68 17.082 14.383 -0.553 1.00 6.71 C ATOM 186 CD2 PHE A 68 18.220 12.380 -1.310 1.00 6.59 C ATOM 187 CE1 PHE A 68 16.307 13.612 0.323 1.00 7.20 C ATOM 188 CE2 PHE A 68 17.444 11.609 -0.436 1.00 7.13 C ATOM 189 CZ PHE A 68 16.487 12.225 0.380 1.00 7.40 C ATOM 0 H PHE A 68 15.978 14.746 -3.114 1.00 5.26 H new ATOM 0 HA PHE A 68 18.575 15.707 -4.141 1.00 5.45 H new ATOM 0 HB2 PHE A 68 19.777 14.054 -2.598 1.00 6.13 H new ATOM 0 HB3 PHE A 68 19.202 15.516 -1.819 1.00 6.13 H new ATOM 0 HD1 PHE A 68 16.941 15.453 -0.599 1.00 6.71 H new ATOM 0 HD2 PHE A 68 18.958 11.905 -1.939 1.00 6.59 H new ATOM 0 HE1 PHE A 68 15.571 14.088 0.954 1.00 7.20 H new ATOM 0 HE2 PHE A 68 17.584 10.539 -0.391 1.00 7.13 H new ATOM 0 HZ PHE A 68 15.888 11.630 1.053 1.00 7.40 H new ATOM 199 N PRO A 69 18.773 13.420 -5.349 1.00 4.86 N ATOM 200 CA PRO A 69 18.692 12.210 -6.220 1.00 4.45 C ATOM 201 C PRO A 69 19.137 10.944 -5.476 1.00 4.09 C ATOM 202 O PRO A 69 20.267 10.833 -5.044 1.00 4.61 O ATOM 203 CB PRO A 69 19.654 12.537 -7.366 1.00 5.21 C ATOM 204 CG PRO A 69 20.690 13.411 -6.740 1.00 5.88 C ATOM 205 CD PRO A 69 19.955 14.243 -5.682 1.00 5.67 C ATOM 0 HA PRO A 69 17.676 12.002 -6.554 1.00 4.45 H new ATOM 0 HB2 PRO A 69 20.096 11.633 -7.784 1.00 5.21 H new ATOM 0 HB3 PRO A 69 19.142 13.048 -8.181 1.00 5.21 H new ATOM 0 HG2 PRO A 69 21.482 12.815 -6.287 1.00 5.88 H new ATOM 0 HG3 PRO A 69 21.161 14.053 -7.484 1.00 5.88 H new ATOM 0 HD2 PRO A 69 20.580 14.420 -4.806 1.00 5.67 H new ATOM 0 HD3 PRO A 69 19.666 15.220 -6.070 1.00 5.67 H new ATOM 213 N VAL A 70 18.257 9.992 -5.317 1.00 3.53 N ATOM 214 CA VAL A 70 18.634 8.739 -4.596 1.00 3.48 C ATOM 215 C VAL A 70 19.362 7.792 -5.548 1.00 3.20 C ATOM 216 O VAL A 70 19.744 8.163 -6.640 1.00 3.15 O ATOM 217 CB VAL A 70 17.375 8.052 -4.068 1.00 3.52 C ATOM 218 CG1 VAL A 70 16.688 8.960 -3.045 1.00 4.19 C ATOM 219 CG2 VAL A 70 16.421 7.770 -5.233 1.00 3.47 C ATOM 0 H VAL A 70 17.295 10.026 -5.654 1.00 3.53 H new ATOM 0 HA VAL A 70 19.290 8.992 -3.763 1.00 3.48 H new ATOM 0 HB VAL A 70 17.646 7.111 -3.589 1.00 3.52 H new ATOM 0 HG11 VAL A 70 15.790 8.470 -2.669 1.00 4.19 H new ATOM 0 HG12 VAL A 70 17.369 9.155 -2.217 1.00 4.19 H new ATOM 0 HG13 VAL A 70 16.415 9.902 -3.520 1.00 4.19 H new ATOM 0 HG21 VAL A 70 15.523 7.280 -4.857 1.00 3.47 H new ATOM 0 HG22 VAL A 70 16.148 8.709 -5.715 1.00 3.47 H new ATOM 0 HG23 VAL A 70 16.913 7.120 -5.957 1.00 3.47 H new ATOM 229 N THR A 71 19.562 6.567 -5.140 1.00 3.33 N ATOM 230 CA THR A 71 20.271 5.588 -6.016 1.00 3.19 C ATOM 231 C THR A 71 19.246 4.865 -6.914 1.00 2.33 C ATOM 232 O THR A 71 18.203 4.452 -6.444 1.00 2.20 O ATOM 233 CB THR A 71 20.985 4.557 -5.135 1.00 3.92 C ATOM 234 OG1 THR A 71 20.090 4.091 -4.135 1.00 4.10 O ATOM 235 CG2 THR A 71 22.201 5.205 -4.471 1.00 4.65 C ATOM 0 H THR A 71 19.264 6.201 -4.236 1.00 3.33 H new ATOM 0 HA THR A 71 20.996 6.111 -6.640 1.00 3.19 H new ATOM 0 HB THR A 71 21.313 3.719 -5.749 1.00 3.92 H new ATOM 0 HG1 THR A 71 19.184 4.041 -4.505 1.00 4.10 H new ATOM 0 HG21 THR A 71 22.708 4.471 -3.845 1.00 4.65 H new ATOM 0 HG22 THR A 71 22.887 5.563 -5.239 1.00 4.65 H new ATOM 0 HG23 THR A 71 21.876 6.044 -3.856 1.00 4.65 H new ATOM 243 N PRO A 72 19.526 4.699 -8.193 1.00 2.04 N ATOM 244 CA PRO A 72 18.592 4.001 -9.132 1.00 1.36 C ATOM 245 C PRO A 72 18.628 2.478 -8.955 1.00 1.25 C ATOM 246 O PRO A 72 19.021 1.978 -7.925 1.00 1.81 O ATOM 247 CB PRO A 72 19.117 4.407 -10.513 1.00 1.84 C ATOM 248 CG PRO A 72 20.585 4.586 -10.312 1.00 2.59 C ATOM 249 CD PRO A 72 20.749 5.149 -8.896 1.00 2.69 C ATOM 0 HA PRO A 72 17.551 4.276 -8.965 1.00 1.36 H new ATOM 0 HB2 PRO A 72 18.908 3.640 -11.259 1.00 1.84 H new ATOM 0 HB3 PRO A 72 18.648 5.327 -10.862 1.00 1.84 H new ATOM 0 HG2 PRO A 72 21.112 3.638 -10.419 1.00 2.59 H new ATOM 0 HG3 PRO A 72 21.001 5.268 -11.054 1.00 2.59 H new ATOM 0 HD2 PRO A 72 21.650 4.767 -8.416 1.00 2.69 H new ATOM 0 HD3 PRO A 72 20.828 6.236 -8.904 1.00 2.69 H new ATOM 257 N GLN A 73 18.198 1.751 -9.953 1.00 1.10 N ATOM 258 CA GLN A 73 18.172 0.258 -9.885 1.00 1.44 C ATOM 259 C GLN A 73 19.357 -0.285 -9.085 1.00 1.16 C ATOM 260 O GLN A 73 20.450 -0.453 -9.589 1.00 1.32 O ATOM 261 CB GLN A 73 18.224 -0.307 -11.307 1.00 2.13 C ATOM 262 CG GLN A 73 16.999 0.174 -12.088 1.00 2.59 C ATOM 263 CD GLN A 73 17.023 -0.415 -13.499 1.00 3.31 C ATOM 264 OE1 GLN A 73 16.138 -0.156 -14.291 1.00 3.76 O ATOM 265 NE2 GLN A 73 18.003 -1.202 -13.850 1.00 3.98 N ATOM 0 H GLN A 73 17.856 2.138 -10.833 1.00 1.10 H new ATOM 0 HA GLN A 73 17.254 -0.047 -9.383 1.00 1.44 H new ATOM 0 HB2 GLN A 73 19.138 0.016 -11.806 1.00 2.13 H new ATOM 0 HB3 GLN A 73 18.246 -1.396 -11.277 1.00 2.13 H new ATOM 0 HG2 GLN A 73 16.086 -0.127 -11.573 1.00 2.59 H new ATOM 0 HG3 GLN A 73 16.992 1.263 -12.138 1.00 2.59 H new ATOM 0 HE21 GLN A 73 18.746 -1.419 -13.185 1.00 3.98 H new ATOM 0 HE22 GLN A 73 18.026 -1.600 -14.789 1.00 3.98 H new ATOM 274 N VAL A 74 19.121 -0.585 -7.842 1.00 1.04 N ATOM 275 CA VAL A 74 20.197 -1.154 -6.970 1.00 0.93 C ATOM 276 C VAL A 74 20.177 -2.678 -7.122 1.00 0.86 C ATOM 277 O VAL A 74 19.158 -3.242 -7.471 1.00 0.89 O ATOM 278 CB VAL A 74 19.917 -0.782 -5.500 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.397 0.642 -5.216 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.412 -0.872 -5.226 1.00 1.38 C ATOM 0 H VAL A 74 18.219 -0.461 -7.382 1.00 1.04 H new ATOM 0 HA VAL A 74 21.170 -0.756 -7.259 1.00 0.93 H new ATOM 0 HB VAL A 74 20.452 -1.476 -4.852 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.194 0.894 -4.175 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.469 0.709 -5.403 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.871 1.340 -5.867 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.215 -0.609 -4.187 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.881 -0.182 -5.882 1.00 1.38 H new ATOM 0 HG23 VAL A 74 18.068 -1.889 -5.414 1.00 1.38 H new ATOM 290 N PRO A 75 21.279 -3.349 -6.857 1.00 0.93 N ATOM 291 CA PRO A 75 21.355 -4.832 -6.961 1.00 1.00 C ATOM 292 C PRO A 75 20.029 -5.494 -6.569 1.00 0.88 C ATOM 293 O PRO A 75 19.566 -5.378 -5.453 1.00 0.84 O ATOM 294 CB PRO A 75 22.467 -5.173 -5.974 1.00 1.18 C ATOM 295 CG PRO A 75 23.423 -4.022 -6.084 1.00 1.37 C ATOM 296 CD PRO A 75 22.576 -2.781 -6.438 1.00 1.13 C ATOM 0 HA PRO A 75 21.550 -5.187 -7.973 1.00 1.00 H new ATOM 0 HB2 PRO A 75 22.082 -5.275 -4.960 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.949 -6.117 -6.228 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.959 -3.872 -5.147 1.00 1.37 H new ATOM 0 HG3 PRO A 75 24.172 -4.212 -6.852 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.464 -2.116 -5.582 1.00 1.13 H new ATOM 0 HD3 PRO A 75 23.034 -2.198 -7.237 1.00 1.13 H new ATOM 304 N LEU A 76 19.402 -6.157 -7.500 1.00 0.86 N ATOM 305 CA LEU A 76 18.087 -6.795 -7.210 1.00 0.77 C ATOM 306 C LEU A 76 18.225 -7.833 -6.097 1.00 0.77 C ATOM 307 O LEU A 76 18.583 -8.970 -6.332 1.00 0.85 O ATOM 308 CB LEU A 76 17.570 -7.478 -8.479 1.00 0.84 C ATOM 309 CG LEU A 76 17.249 -6.426 -9.552 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.955 -7.135 -10.879 1.00 1.01 C ATOM 311 CD2 LEU A 76 16.027 -5.580 -9.131 1.00 0.76 C ATOM 0 H LEU A 76 19.744 -6.285 -8.452 1.00 0.86 H new ATOM 0 HA LEU A 76 17.386 -6.026 -6.884 1.00 0.77 H new ATOM 0 HB2 LEU A 76 18.317 -8.176 -8.856 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.677 -8.060 -8.250 1.00 0.84 H new ATOM 0 HG LEU A 76 18.106 -5.762 -9.668 1.00 0.87 H new ATOM 0 HD11 LEU A 76 16.726 -6.394 -11.645 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.827 -7.714 -11.183 1.00 1.01 H new ATOM 0 HD13 LEU A 76 16.102 -7.802 -10.754 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.814 -4.840 -9.902 1.00 0.76 H new ATOM 0 HD22 LEU A 76 15.161 -6.230 -9.002 1.00 0.76 H new ATOM 0 HD23 LEU A 76 16.242 -5.072 -8.191 1.00 0.76 H new ATOM 323 N ARG A 77 17.912 -7.453 -4.888 1.00 0.74 N ATOM 324 CA ARG A 77 17.984 -8.412 -3.748 1.00 0.79 C ATOM 325 C ARG A 77 16.655 -9.179 -3.687 1.00 0.71 C ATOM 326 O ARG A 77 15.642 -8.686 -4.141 1.00 0.73 O ATOM 327 CB ARG A 77 18.197 -7.624 -2.444 1.00 0.85 C ATOM 328 CG ARG A 77 19.688 -7.329 -2.246 1.00 1.19 C ATOM 329 CD ARG A 77 19.902 -6.683 -0.878 1.00 1.52 C ATOM 330 NE ARG A 77 21.363 -6.534 -0.623 1.00 2.13 N ATOM 331 CZ ARG A 77 21.782 -5.757 0.339 1.00 2.66 C ATOM 332 NH1 ARG A 77 20.921 -5.113 1.078 1.00 2.73 N ATOM 333 NH2 ARG A 77 23.061 -5.624 0.560 1.00 3.61 N ATOM 0 H ARG A 77 17.607 -6.512 -4.639 1.00 0.74 H new ATOM 0 HA ARG A 77 18.810 -9.111 -3.879 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.635 -6.691 -2.478 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.816 -8.196 -1.598 1.00 0.85 H new ATOM 0 HG2 ARG A 77 20.265 -8.251 -2.319 1.00 1.19 H new ATOM 0 HG3 ARG A 77 20.046 -6.666 -3.033 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.415 -5.709 -0.844 1.00 1.52 H new ATOM 0 HD3 ARG A 77 19.446 -7.295 -0.099 1.00 1.52 H new ATOM 0 HE ARG A 77 22.036 -7.039 -1.200 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.921 -5.217 0.904 1.00 2.73 H new ATOM 0 HH12 ARG A 77 21.248 -4.506 1.830 1.00 2.73 H new ATOM 0 HH21 ARG A 77 23.734 -6.127 -0.019 1.00 3.61 H new ATOM 0 HH22 ARG A 77 23.388 -5.017 1.312 1.00 3.61 H new ATOM 347 N PRO A 78 16.643 -10.365 -3.132 1.00 0.79 N ATOM 348 CA PRO A 78 15.392 -11.173 -3.026 1.00 0.76 C ATOM 349 C PRO A 78 14.376 -10.520 -2.076 1.00 0.67 C ATOM 350 O PRO A 78 14.671 -10.241 -0.931 1.00 0.69 O ATOM 351 CB PRO A 78 15.875 -12.529 -2.482 1.00 0.86 C ATOM 352 CG PRO A 78 17.157 -12.225 -1.777 1.00 1.18 C ATOM 353 CD PRO A 78 17.799 -11.072 -2.552 1.00 1.06 C ATOM 0 HA PRO A 78 14.872 -11.263 -3.980 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.144 -12.965 -1.802 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.028 -13.247 -3.288 1.00 0.86 H new ATOM 0 HG2 PRO A 78 16.975 -11.945 -0.739 1.00 1.18 H new ATOM 0 HG3 PRO A 78 17.811 -13.097 -1.762 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.380 -10.422 -1.898 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.477 -11.435 -3.324 1.00 1.06 H new ATOM 361 N MET A 79 13.184 -10.270 -2.550 1.00 0.65 N ATOM 362 CA MET A 79 12.153 -9.630 -1.682 1.00 0.61 C ATOM 363 C MET A 79 11.781 -10.588 -0.545 1.00 0.51 C ATOM 364 O MET A 79 11.110 -11.581 -0.749 1.00 0.56 O ATOM 365 CB MET A 79 10.913 -9.308 -2.526 1.00 0.66 C ATOM 366 CG MET A 79 9.891 -8.541 -1.684 1.00 0.74 C ATOM 367 SD MET A 79 10.582 -6.943 -1.189 1.00 1.25 S ATOM 368 CE MET A 79 9.041 -6.187 -0.616 1.00 0.83 C ATOM 0 H MET A 79 12.880 -10.481 -3.500 1.00 0.65 H new ATOM 0 HA MET A 79 12.546 -8.707 -1.256 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.198 -8.715 -3.395 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.469 -10.230 -2.901 1.00 0.66 H new ATOM 0 HG2 MET A 79 8.975 -8.390 -2.255 1.00 0.74 H new ATOM 0 HG3 MET A 79 9.624 -9.122 -0.801 1.00 0.74 H new ATOM 0 HE1 MET A 79 8.810 -5.319 -1.233 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.230 -6.912 -0.692 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.153 -5.875 0.422 1.00 0.83 H new ATOM 378 N THR A 80 12.231 -10.306 0.653 1.00 0.56 N ATOM 379 CA THR A 80 11.924 -11.208 1.806 1.00 0.60 C ATOM 380 C THR A 80 10.640 -10.788 2.495 1.00 0.56 C ATOM 381 O THR A 80 10.356 -9.617 2.648 1.00 0.50 O ATOM 382 CB THR A 80 13.078 -11.163 2.817 1.00 0.77 C ATOM 383 OG1 THR A 80 12.942 -10.016 3.641 1.00 0.94 O ATOM 384 CG2 THR A 80 14.417 -11.099 2.074 1.00 0.73 C ATOM 0 H THR A 80 12.798 -9.490 0.882 1.00 0.56 H new ATOM 0 HA THR A 80 11.801 -12.222 1.425 1.00 0.60 H new ATOM 0 HB THR A 80 13.050 -12.062 3.433 1.00 0.77 H new ATOM 0 HG1 THR A 80 13.754 -9.900 4.177 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.233 -11.067 2.796 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.525 -11.981 1.443 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.446 -10.203 1.454 1.00 0.73 H new ATOM 392 N TYR A 81 9.869 -11.745 2.952 1.00 0.61 N ATOM 393 CA TYR A 81 8.624 -11.400 3.683 1.00 0.60 C ATOM 394 C TYR A 81 9.054 -10.433 4.780 1.00 0.51 C ATOM 395 O TYR A 81 8.440 -9.414 5.024 1.00 0.45 O ATOM 396 CB TYR A 81 8.001 -12.703 4.261 1.00 0.69 C ATOM 397 CG TYR A 81 7.943 -12.680 5.779 1.00 0.60 C ATOM 398 CD1 TYR A 81 9.084 -13.000 6.526 1.00 0.71 C ATOM 399 CD2 TYR A 81 6.753 -12.340 6.431 1.00 0.59 C ATOM 400 CE1 TYR A 81 9.034 -12.980 7.925 1.00 0.77 C ATOM 401 CE2 TYR A 81 6.702 -12.320 7.831 1.00 0.66 C ATOM 402 CZ TYR A 81 7.843 -12.639 8.578 1.00 0.73 C ATOM 403 OH TYR A 81 7.793 -12.621 9.957 1.00 0.90 O ATOM 0 H TYR A 81 10.052 -12.743 2.848 1.00 0.61 H new ATOM 0 HA TYR A 81 7.864 -10.940 3.051 1.00 0.60 H new ATOM 0 HB2 TYR A 81 6.995 -12.832 3.861 1.00 0.69 H new ATOM 0 HB3 TYR A 81 8.587 -13.562 3.933 1.00 0.69 H new ATOM 0 HD1 TYR A 81 10.003 -13.262 6.022 1.00 0.71 H new ATOM 0 HD2 TYR A 81 5.873 -12.093 5.855 1.00 0.59 H new ATOM 0 HE1 TYR A 81 9.914 -13.227 8.500 1.00 0.77 H new ATOM 0 HE2 TYR A 81 5.783 -12.059 8.334 1.00 0.66 H new ATOM 0 HH TYR A 81 6.894 -12.363 10.248 1.00 0.90 H new ATOM 413 N LYS A 82 10.152 -10.751 5.402 1.00 0.52 N ATOM 414 CA LYS A 82 10.700 -9.864 6.448 1.00 0.48 C ATOM 415 C LYS A 82 10.954 -8.496 5.817 1.00 0.40 C ATOM 416 O LYS A 82 10.868 -7.478 6.473 1.00 0.38 O ATOM 417 CB LYS A 82 12.015 -10.445 6.972 1.00 0.55 C ATOM 418 CG LYS A 82 12.447 -9.695 8.236 1.00 0.60 C ATOM 419 CD LYS A 82 13.615 -10.437 8.891 1.00 0.92 C ATOM 420 CE LYS A 82 14.049 -9.694 10.155 1.00 1.49 C ATOM 421 NZ LYS A 82 15.318 -10.284 10.671 1.00 2.32 N ATOM 0 H LYS A 82 10.694 -11.596 5.225 1.00 0.52 H new ATOM 0 HA LYS A 82 10.001 -9.773 7.280 1.00 0.48 H new ATOM 0 HB2 LYS A 82 11.893 -11.506 7.191 1.00 0.55 H new ATOM 0 HB3 LYS A 82 12.789 -10.365 6.208 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.743 -8.677 7.985 1.00 0.60 H new ATOM 0 HG3 LYS A 82 11.612 -9.621 8.932 1.00 0.60 H new ATOM 0 HD2 LYS A 82 13.318 -11.456 9.139 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.450 -10.509 8.194 1.00 0.92 H new ATOM 0 HE2 LYS A 82 14.191 -8.636 9.936 1.00 1.49 H new ATOM 0 HE3 LYS A 82 13.270 -9.761 10.914 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 15.612 -9.778 11.531 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 15.168 -11.288 10.895 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 16.060 -10.198 9.948 1.00 2.32 H new ATOM 435 N ALA A 83 11.259 -8.455 4.535 1.00 0.42 N ATOM 436 CA ALA A 83 11.499 -7.125 3.897 1.00 0.41 C ATOM 437 C ALA A 83 10.208 -6.300 3.965 1.00 0.35 C ATOM 438 O ALA A 83 10.232 -5.108 4.201 1.00 0.34 O ATOM 439 CB ALA A 83 11.912 -7.305 2.428 1.00 0.52 C ATOM 0 H ALA A 83 11.349 -9.265 3.922 1.00 0.42 H new ATOM 0 HA ALA A 83 12.301 -6.612 4.427 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.084 -6.328 1.976 1.00 0.52 H new ATOM 0 HB2 ALA A 83 12.828 -7.894 2.377 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.118 -7.821 1.887 1.00 0.52 H new ATOM 445 N ALA A 84 9.082 -6.929 3.757 1.00 0.34 N ATOM 446 CA ALA A 84 7.786 -6.193 3.804 1.00 0.31 C ATOM 447 C ALA A 84 7.570 -5.601 5.200 1.00 0.28 C ATOM 448 O ALA A 84 7.224 -4.447 5.345 1.00 0.28 O ATOM 449 CB ALA A 84 6.644 -7.159 3.481 1.00 0.34 C ATOM 0 H ALA A 84 9.004 -7.926 3.556 1.00 0.34 H new ATOM 0 HA ALA A 84 7.806 -5.385 3.072 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.695 -6.624 3.514 1.00 0.34 H new ATOM 0 HB2 ALA A 84 6.791 -7.576 2.485 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.632 -7.966 4.214 1.00 0.34 H new ATOM 455 N VAL A 85 7.764 -6.381 6.228 1.00 0.29 N ATOM 456 CA VAL A 85 7.559 -5.853 7.608 1.00 0.29 C ATOM 457 C VAL A 85 8.557 -4.729 7.878 1.00 0.29 C ATOM 458 O VAL A 85 8.192 -3.650 8.299 1.00 0.30 O ATOM 459 CB VAL A 85 7.764 -6.982 8.628 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.085 -6.619 9.955 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.157 -8.272 8.079 1.00 0.38 C ATOM 0 H VAL A 85 8.054 -7.357 6.173 1.00 0.29 H new ATOM 0 HA VAL A 85 6.544 -5.465 7.700 1.00 0.29 H new ATOM 0 HB VAL A 85 8.831 -7.122 8.802 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.235 -7.425 10.673 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.519 -5.699 10.346 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.017 -6.475 9.790 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.300 -9.077 8.800 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.091 -8.127 7.904 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.646 -8.534 7.141 1.00 0.38 H new ATOM 471 N ASP A 86 9.810 -4.966 7.631 1.00 0.30 N ATOM 472 CA ASP A 86 10.812 -3.898 7.866 1.00 0.32 C ATOM 473 C ASP A 86 10.427 -2.699 7.004 1.00 0.30 C ATOM 474 O ASP A 86 10.385 -1.573 7.460 1.00 0.31 O ATOM 475 CB ASP A 86 12.199 -4.413 7.459 1.00 0.36 C ATOM 476 CG ASP A 86 12.783 -5.269 8.585 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.015 -5.723 9.417 1.00 1.23 O ATOM 478 OD2 ASP A 86 13.990 -5.457 8.596 1.00 1.05 O ATOM 0 H ASP A 86 10.182 -5.848 7.279 1.00 0.30 H new ATOM 0 HA ASP A 86 10.837 -3.611 8.917 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.125 -5.000 6.544 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.861 -3.574 7.247 1.00 0.36 H new ATOM 483 N LEU A 87 10.128 -2.944 5.761 1.00 0.29 N ATOM 484 CA LEU A 87 9.728 -1.842 4.848 1.00 0.30 C ATOM 485 C LEU A 87 8.448 -1.184 5.362 1.00 0.29 C ATOM 486 O LEU A 87 8.331 0.025 5.388 1.00 0.30 O ATOM 487 CB LEU A 87 9.486 -2.420 3.448 1.00 0.33 C ATOM 488 CG LEU A 87 8.949 -1.339 2.497 1.00 0.42 C ATOM 489 CD1 LEU A 87 9.897 -0.133 2.477 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.840 -1.929 1.087 1.00 0.44 C ATOM 0 H LEU A 87 10.144 -3.871 5.335 1.00 0.29 H new ATOM 0 HA LEU A 87 10.519 -1.093 4.807 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.416 -2.829 3.053 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.775 -3.244 3.508 1.00 0.33 H new ATOM 0 HG LEU A 87 7.969 -1.008 2.841 1.00 0.42 H new ATOM 0 HD11 LEU A 87 9.506 0.626 1.800 1.00 0.52 H new ATOM 0 HD12 LEU A 87 9.977 0.283 3.481 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.882 -0.450 2.136 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.460 -1.170 0.403 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.824 -2.258 0.753 1.00 0.44 H new ATOM 0 HD23 LEU A 87 8.159 -2.780 1.100 1.00 0.44 H new ATOM 502 N SER A 88 7.479 -1.963 5.758 1.00 0.30 N ATOM 503 CA SER A 88 6.215 -1.352 6.248 1.00 0.34 C ATOM 504 C SER A 88 6.526 -0.306 7.316 1.00 0.33 C ATOM 505 O SER A 88 6.162 0.845 7.188 1.00 0.36 O ATOM 506 CB SER A 88 5.311 -2.432 6.838 1.00 0.40 C ATOM 507 OG SER A 88 5.947 -3.016 7.965 1.00 0.44 O ATOM 0 H SER A 88 7.507 -2.983 5.763 1.00 0.30 H new ATOM 0 HA SER A 88 5.705 -0.873 5.412 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.354 -2.001 7.130 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.101 -3.195 6.089 1.00 0.40 H new ATOM 0 HG SER A 88 6.890 -3.183 7.758 1.00 0.44 H new ATOM 513 N HIS A 89 7.191 -0.689 8.370 1.00 0.34 N ATOM 514 CA HIS A 89 7.501 0.296 9.444 1.00 0.36 C ATOM 515 C HIS A 89 8.539 1.304 8.951 1.00 0.36 C ATOM 516 O HIS A 89 8.598 2.418 9.428 1.00 0.41 O ATOM 517 CB HIS A 89 8.052 -0.431 10.676 1.00 0.41 C ATOM 518 CG HIS A 89 7.223 -1.650 10.960 1.00 0.52 C ATOM 519 ND1 HIS A 89 7.621 -2.619 11.867 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.014 -2.072 10.467 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.666 -3.567 11.892 1.00 1.27 C ATOM 522 NE2 HIS A 89 5.664 -3.283 11.057 1.00 0.82 N ATOM 0 H HIS A 89 7.532 -1.636 8.534 1.00 0.34 H new ATOM 0 HA HIS A 89 6.584 0.822 9.709 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.090 -0.717 10.507 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.042 0.236 11.538 1.00 0.41 H new ATOM 0 HD1 HIS A 89 8.481 -2.615 12.416 1.00 1.43 H new ATOM 0 HD2 HIS A 89 5.424 -1.544 9.733 1.00 1.01 H new ATOM 0 HE1 HIS A 89 6.706 -4.450 12.512 1.00 1.27 H new ATOM 530 N PHE A 90 9.358 0.937 8.000 1.00 0.34 N ATOM 531 CA PHE A 90 10.377 1.899 7.501 1.00 0.37 C ATOM 532 C PHE A 90 9.667 3.182 7.064 1.00 0.40 C ATOM 533 O PHE A 90 10.027 4.273 7.459 1.00 0.47 O ATOM 534 CB PHE A 90 11.114 1.286 6.307 1.00 0.38 C ATOM 535 CG PHE A 90 12.284 2.161 5.926 1.00 0.47 C ATOM 536 CD1 PHE A 90 12.095 3.235 5.049 1.00 0.59 C ATOM 537 CD2 PHE A 90 13.557 1.896 6.446 1.00 0.57 C ATOM 538 CE1 PHE A 90 13.178 4.046 4.694 1.00 0.70 C ATOM 539 CE2 PHE A 90 14.641 2.708 6.090 1.00 0.69 C ATOM 540 CZ PHE A 90 14.451 3.783 5.214 1.00 0.72 C ATOM 0 H PHE A 90 9.364 0.020 7.552 1.00 0.34 H new ATOM 0 HA PHE A 90 11.097 2.124 8.288 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.463 0.285 6.558 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.434 1.183 5.461 1.00 0.38 H new ATOM 0 HD1 PHE A 90 11.114 3.438 4.646 1.00 0.59 H new ATOM 0 HD2 PHE A 90 13.703 1.066 7.121 1.00 0.57 H new ATOM 0 HE1 PHE A 90 13.032 4.876 4.018 1.00 0.70 H new ATOM 0 HE2 PHE A 90 15.623 2.505 6.491 1.00 0.69 H new ATOM 0 HZ PHE A 90 15.287 4.410 4.939 1.00 0.72 H new ATOM 550 N LEU A 91 8.654 3.050 6.258 1.00 0.37 N ATOM 551 CA LEU A 91 7.900 4.247 5.790 1.00 0.42 C ATOM 552 C LEU A 91 7.273 4.980 6.986 1.00 0.47 C ATOM 553 O LEU A 91 7.276 6.193 7.052 1.00 0.57 O ATOM 554 CB LEU A 91 6.791 3.785 4.841 1.00 0.41 C ATOM 555 CG LEU A 91 7.405 3.262 3.525 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.439 2.271 2.860 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.672 4.429 2.563 1.00 0.54 C ATOM 0 H LEU A 91 8.312 2.158 5.900 1.00 0.37 H new ATOM 0 HA LEU A 91 8.579 4.928 5.277 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.201 3.000 5.313 1.00 0.41 H new ATOM 0 HB3 LEU A 91 6.112 4.612 4.632 1.00 0.41 H new ATOM 0 HG LEU A 91 8.346 2.762 3.753 1.00 0.41 H new ATOM 0 HD11 LEU A 91 6.876 1.904 1.931 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.258 1.432 3.532 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.496 2.772 2.644 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.105 4.047 1.639 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.735 4.939 2.341 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.366 5.131 3.026 1.00 0.54 H new ATOM 569 N LYS A 92 6.716 4.254 7.921 1.00 0.45 N ATOM 570 CA LYS A 92 6.065 4.906 9.103 1.00 0.53 C ATOM 571 C LYS A 92 7.089 5.701 9.904 1.00 0.63 C ATOM 572 O LYS A 92 6.740 6.435 10.807 1.00 0.85 O ATOM 573 CB LYS A 92 5.410 3.829 9.972 1.00 0.54 C ATOM 574 CG LYS A 92 4.523 2.943 9.083 1.00 0.73 C ATOM 575 CD LYS A 92 3.307 3.744 8.531 1.00 1.20 C ATOM 576 CE LYS A 92 3.516 4.153 7.054 1.00 1.61 C ATOM 577 NZ LYS A 92 3.994 2.986 6.260 1.00 2.27 N ATOM 0 H LYS A 92 6.683 3.235 7.919 1.00 0.45 H new ATOM 0 HA LYS A 92 5.300 5.602 8.759 1.00 0.53 H new ATOM 0 HB2 LYS A 92 6.173 3.226 10.463 1.00 0.54 H new ATOM 0 HB3 LYS A 92 4.813 4.291 10.759 1.00 0.54 H new ATOM 0 HG2 LYS A 92 5.111 2.550 8.253 1.00 0.73 H new ATOM 0 HG3 LYS A 92 4.168 2.086 9.656 1.00 0.73 H new ATOM 0 HD2 LYS A 92 2.404 3.140 8.617 1.00 1.20 H new ATOM 0 HD3 LYS A 92 3.153 4.636 9.138 1.00 1.20 H new ATOM 0 HE2 LYS A 92 2.581 4.528 6.637 1.00 1.61 H new ATOM 0 HE3 LYS A 92 4.240 4.965 6.993 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 4.244 3.298 5.300 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 4.831 2.573 6.719 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 3.241 2.271 6.206 1.00 2.27 H new ATOM 591 N GLU A 93 8.342 5.603 9.568 1.00 0.62 N ATOM 592 CA GLU A 93 9.351 6.404 10.303 1.00 0.76 C ATOM 593 C GLU A 93 9.166 7.866 9.899 1.00 0.77 C ATOM 594 O GLU A 93 8.583 8.656 10.614 1.00 1.05 O ATOM 595 CB GLU A 93 10.763 5.946 9.931 1.00 0.94 C ATOM 596 CG GLU A 93 10.996 4.522 10.441 1.00 1.22 C ATOM 597 CD GLU A 93 12.476 4.163 10.299 1.00 2.00 C ATOM 598 OE1 GLU A 93 12.940 4.079 9.175 1.00 2.73 O ATOM 599 OE2 GLU A 93 13.119 3.975 11.319 1.00 2.54 O ATOM 0 H GLU A 93 8.707 5.009 8.824 1.00 0.62 H new ATOM 0 HA GLU A 93 9.221 6.278 11.378 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.894 5.981 8.849 1.00 0.94 H new ATOM 0 HB3 GLU A 93 11.501 6.622 10.363 1.00 0.94 H new ATOM 0 HG2 GLU A 93 10.691 4.444 11.484 1.00 1.22 H new ATOM 0 HG3 GLU A 93 10.385 3.818 9.877 1.00 1.22 H new ATOM 606 N LYS A 94 9.659 8.221 8.743 1.00 0.80 N ATOM 607 CA LYS A 94 9.522 9.627 8.257 1.00 1.02 C ATOM 608 C LYS A 94 8.208 9.805 7.476 1.00 0.96 C ATOM 609 O LYS A 94 7.409 10.669 7.782 1.00 1.41 O ATOM 610 CB LYS A 94 10.709 9.967 7.350 1.00 1.39 C ATOM 611 CG LYS A 94 11.955 10.193 8.207 1.00 1.63 C ATOM 612 CD LYS A 94 13.183 10.310 7.304 1.00 2.18 C ATOM 613 CE LYS A 94 14.424 10.551 8.165 1.00 2.61 C ATOM 614 NZ LYS A 94 14.277 11.836 8.906 1.00 2.96 N ATOM 0 H LYS A 94 10.154 7.594 8.109 1.00 0.80 H new ATOM 0 HA LYS A 94 9.508 10.297 9.117 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.883 9.157 6.642 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.490 10.860 6.765 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.840 11.099 8.802 1.00 1.63 H new ATOM 0 HG3 LYS A 94 12.083 9.367 8.906 1.00 1.63 H new ATOM 0 HD2 LYS A 94 13.305 9.400 6.717 1.00 2.18 H new ATOM 0 HD3 LYS A 94 13.052 11.130 6.597 1.00 2.18 H new ATOM 0 HE2 LYS A 94 14.557 9.728 8.867 1.00 2.61 H new ATOM 0 HE3 LYS A 94 15.314 10.582 7.537 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 15.209 12.152 9.241 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 13.873 12.557 8.274 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 13.646 11.697 9.721 1.00 2.96 H new ATOM 628 N GLY A 95 7.994 9.018 6.451 1.00 1.12 N ATOM 629 CA GLY A 95 6.752 9.167 5.631 1.00 1.51 C ATOM 630 C GLY A 95 5.521 8.665 6.401 1.00 1.10 C ATOM 631 O GLY A 95 5.631 7.872 7.315 1.00 1.71 O ATOM 0 H GLY A 95 8.626 8.278 6.146 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.614 10.214 5.360 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.857 8.608 4.701 1.00 1.51 H new ATOM 635 N GLY A 96 4.344 9.127 6.027 1.00 1.17 N ATOM 636 CA GLY A 96 3.083 8.690 6.713 1.00 0.99 C ATOM 637 C GLY A 96 2.068 8.198 5.667 1.00 0.81 C ATOM 638 O GLY A 96 1.195 8.932 5.249 1.00 0.83 O ATOM 0 H GLY A 96 4.205 9.794 5.268 1.00 1.17 H new ATOM 0 HA2 GLY A 96 3.302 7.894 7.424 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.661 9.519 7.282 1.00 0.99 H new ATOM 642 N LEU A 97 2.172 6.965 5.244 1.00 0.67 N ATOM 643 CA LEU A 97 1.215 6.431 4.228 1.00 0.55 C ATOM 644 C LEU A 97 -0.080 6.002 4.931 1.00 0.46 C ATOM 645 O LEU A 97 -1.132 5.913 4.327 1.00 0.49 O ATOM 646 CB LEU A 97 1.871 5.221 3.535 1.00 0.54 C ATOM 647 CG LEU A 97 0.904 4.536 2.555 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.607 5.460 1.371 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.555 3.249 2.040 1.00 0.66 C ATOM 0 H LEU A 97 2.881 6.302 5.559 1.00 0.67 H new ATOM 0 HA LEU A 97 0.976 7.193 3.486 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.762 5.547 2.999 1.00 0.54 H new ATOM 0 HB3 LEU A 97 2.197 4.503 4.287 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.030 4.309 3.068 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.079 4.963 0.685 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.153 6.382 1.734 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.535 5.694 0.850 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.879 2.753 1.343 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.487 3.492 1.530 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.762 2.585 2.879 1.00 0.66 H new ATOM 661 N GLU A 98 -0.001 5.725 6.200 1.00 0.44 N ATOM 662 CA GLU A 98 -1.203 5.283 6.967 1.00 0.40 C ATOM 663 C GLU A 98 -2.389 6.225 6.745 1.00 0.40 C ATOM 664 O GLU A 98 -2.240 7.414 6.538 1.00 0.58 O ATOM 665 CB GLU A 98 -0.852 5.267 8.453 1.00 0.49 C ATOM 666 CG GLU A 98 -2.066 4.815 9.269 1.00 0.48 C ATOM 667 CD GLU A 98 -1.616 4.450 10.683 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.489 4.770 11.026 1.00 1.94 O ATOM 669 OE2 GLU A 98 -2.403 3.854 11.401 1.00 2.03 O ATOM 0 H GLU A 98 0.856 5.786 6.749 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.490 4.290 6.621 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.013 4.595 8.630 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.537 6.261 8.772 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.811 5.610 9.306 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.540 3.957 8.793 1.00 0.48 H new ATOM 676 N GLY A 99 -3.570 5.679 6.825 1.00 0.39 N ATOM 677 CA GLY A 99 -4.819 6.482 6.666 1.00 0.42 C ATOM 678 C GLY A 99 -4.829 7.280 5.358 1.00 0.42 C ATOM 679 O GLY A 99 -5.740 8.042 5.106 1.00 0.46 O ATOM 0 H GLY A 99 -3.727 4.686 6.998 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.682 5.817 6.691 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.919 7.166 7.508 1.00 0.42 H new ATOM 683 N LEU A 100 -3.844 7.124 4.519 1.00 0.41 N ATOM 684 CA LEU A 100 -3.848 7.899 3.239 1.00 0.43 C ATOM 685 C LEU A 100 -4.867 7.279 2.276 1.00 0.42 C ATOM 686 O LEU A 100 -4.760 6.127 1.903 1.00 0.44 O ATOM 687 CB LEU A 100 -2.451 7.867 2.610 1.00 0.45 C ATOM 688 CG LEU A 100 -2.344 8.925 1.499 1.00 0.55 C ATOM 689 CD1 LEU A 100 -2.318 10.347 2.098 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.059 8.673 0.701 1.00 1.17 C ATOM 0 H LEU A 100 -3.046 6.504 4.657 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.122 8.935 3.440 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.696 8.054 3.374 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.252 6.877 2.200 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.213 8.848 0.846 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -2.242 11.079 1.294 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -3.234 10.521 2.662 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -1.459 10.447 2.762 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.971 9.417 -0.091 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.198 8.746 1.365 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.094 7.677 0.260 1.00 1.17 H new ATOM 702 N ILE A 101 -5.869 8.028 1.886 1.00 0.44 N ATOM 703 CA ILE A 101 -6.905 7.473 0.967 1.00 0.45 C ATOM 704 C ILE A 101 -6.295 7.114 -0.394 1.00 0.46 C ATOM 705 O ILE A 101 -5.988 7.970 -1.199 1.00 0.49 O ATOM 706 CB ILE A 101 -8.057 8.490 0.802 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.999 8.415 2.030 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.855 8.206 -0.483 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.013 7.256 1.897 1.00 0.52 C ATOM 0 H ILE A 101 -6.012 8.999 2.165 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.304 6.557 1.402 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.629 9.490 0.730 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.408 8.280 2.936 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.535 9.358 2.137 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.661 8.934 -0.579 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.194 8.281 -1.346 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.277 7.202 -0.435 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.657 7.234 2.776 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.621 7.405 1.005 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.476 6.311 1.816 1.00 0.52 H new ATOM 721 N HIS A 102 -6.156 5.842 -0.662 1.00 0.47 N ATOM 722 CA HIS A 102 -5.613 5.403 -1.976 1.00 0.51 C ATOM 723 C HIS A 102 -6.601 5.828 -3.065 1.00 0.58 C ATOM 724 O HIS A 102 -7.652 5.226 -3.234 1.00 0.64 O ATOM 725 CB HIS A 102 -5.437 3.867 -1.975 1.00 0.57 C ATOM 726 CG HIS A 102 -5.469 3.316 -3.384 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.607 2.727 -3.914 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.522 3.258 -4.378 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.319 2.345 -5.171 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.061 2.645 -5.504 1.00 0.70 N ATOM 0 H HIS A 102 -6.398 5.086 -0.021 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.641 5.859 -2.163 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.491 3.606 -1.500 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.228 3.407 -1.383 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -3.512 3.632 -4.297 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -7.020 1.855 -5.831 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.595 2.464 -6.393 1.00 0.70 H new ATOM 738 N SER A 103 -6.274 6.859 -3.793 1.00 0.60 N ATOM 739 CA SER A 103 -7.176 7.332 -4.875 1.00 0.69 C ATOM 740 C SER A 103 -7.151 6.330 -6.029 1.00 0.76 C ATOM 741 O SER A 103 -8.057 5.541 -6.205 1.00 0.85 O ATOM 742 CB SER A 103 -6.704 8.696 -5.375 1.00 0.74 C ATOM 743 OG SER A 103 -7.286 8.956 -6.646 1.00 1.49 O ATOM 0 H SER A 103 -5.414 7.397 -3.683 1.00 0.60 H new ATOM 0 HA SER A 103 -8.192 7.420 -4.489 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.987 9.474 -4.666 1.00 0.74 H new ATOM 0 HB3 SER A 103 -5.617 8.713 -5.449 1.00 0.74 H new ATOM 0 HG SER A 103 -6.987 9.831 -6.970 1.00 1.49 H new ATOM 749 N GLN A 104 -6.113 6.364 -6.820 1.00 0.81 N ATOM 750 CA GLN A 104 -6.019 5.423 -7.970 1.00 0.92 C ATOM 751 C GLN A 104 -4.582 5.411 -8.502 1.00 0.93 C ATOM 752 O GLN A 104 -4.039 4.374 -8.826 1.00 1.37 O ATOM 753 CB GLN A 104 -6.968 5.887 -9.076 1.00 1.06 C ATOM 754 CG GLN A 104 -7.120 4.784 -10.124 1.00 1.76 C ATOM 755 CD GLN A 104 -7.910 5.325 -11.317 1.00 2.14 C ATOM 756 OE1 GLN A 104 -7.765 6.474 -11.685 1.00 2.64 O ATOM 757 NE2 GLN A 104 -8.749 4.543 -11.940 1.00 2.70 N ATOM 0 H GLN A 104 -5.325 7.004 -6.718 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.294 4.419 -7.647 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.941 6.135 -8.652 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.582 6.794 -9.542 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -6.139 4.438 -10.450 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -7.634 3.925 -9.693 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -8.872 3.578 -11.632 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -9.282 4.897 -12.735 1.00 2.70 H new ATOM 766 N ARG A 105 -3.967 6.561 -8.601 1.00 0.83 N ATOM 767 CA ARG A 105 -2.567 6.628 -9.121 1.00 0.87 C ATOM 768 C ARG A 105 -1.563 6.521 -7.968 1.00 0.74 C ATOM 769 O ARG A 105 -0.425 6.141 -8.159 1.00 0.70 O ATOM 770 CB ARG A 105 -2.360 7.961 -9.841 1.00 1.06 C ATOM 771 CG ARG A 105 -3.332 8.066 -11.018 1.00 1.71 C ATOM 772 CD ARG A 105 -2.893 9.204 -11.941 1.00 1.99 C ATOM 773 NE ARG A 105 -3.946 9.449 -12.965 1.00 2.86 N ATOM 774 CZ ARG A 105 -3.940 10.559 -13.651 1.00 3.60 C ATOM 775 NH1 ARG A 105 -3.022 11.458 -13.423 1.00 3.73 N ATOM 776 NH2 ARG A 105 -4.850 10.770 -14.561 1.00 4.61 N ATOM 0 H ARG A 105 -4.375 7.460 -8.343 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.407 5.799 -9.810 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.520 8.788 -9.149 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.333 8.038 -10.197 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.356 7.126 -11.569 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -4.343 8.248 -10.654 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -2.718 10.110 -11.361 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -1.951 8.949 -12.427 1.00 1.99 H new ATOM 0 HE ARG A 105 -4.671 8.750 -13.130 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -2.312 11.292 -12.710 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -3.015 12.327 -13.958 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -5.568 10.067 -14.737 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -4.844 11.638 -15.096 1.00 4.61 H new ATOM 790 N ARG A 106 -1.966 6.867 -6.775 1.00 0.71 N ATOM 791 CA ARG A 106 -1.024 6.799 -5.621 1.00 0.65 C ATOM 792 C ARG A 106 -0.434 5.393 -5.504 1.00 0.54 C ATOM 793 O ARG A 106 0.657 5.210 -5.003 1.00 0.50 O ATOM 794 CB ARG A 106 -1.770 7.149 -4.334 1.00 0.70 C ATOM 795 CG ARG A 106 -2.055 8.653 -4.305 1.00 1.01 C ATOM 796 CD ARG A 106 -2.748 9.018 -2.992 1.00 1.24 C ATOM 797 NE ARG A 106 -3.298 10.398 -3.087 1.00 1.86 N ATOM 798 CZ ARG A 106 -4.185 10.810 -2.223 1.00 2.48 C ATOM 799 NH1 ARG A 106 -4.597 10.010 -1.278 1.00 2.86 N ATOM 800 NH2 ARG A 106 -4.662 12.020 -2.305 1.00 3.29 N ATOM 0 H ARG A 106 -2.906 7.193 -6.550 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.214 7.511 -5.781 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.704 6.590 -4.278 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.175 6.864 -3.466 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.124 9.212 -4.404 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -2.685 8.930 -5.150 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -3.549 8.309 -2.782 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -2.041 8.953 -2.165 1.00 1.24 H new ATOM 0 HE ARG A 106 -2.981 11.023 -3.829 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -4.226 9.062 -1.214 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -5.290 10.333 -0.603 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -4.342 12.645 -3.045 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -5.355 12.342 -1.630 1.00 3.29 H new ATOM 814 N GLN A 107 -1.139 4.395 -5.962 1.00 0.55 N ATOM 815 CA GLN A 107 -0.601 3.009 -5.871 1.00 0.52 C ATOM 816 C GLN A 107 0.666 2.905 -6.723 1.00 0.49 C ATOM 817 O GLN A 107 1.679 2.396 -6.287 1.00 0.44 O ATOM 818 CB GLN A 107 -1.649 2.016 -6.384 1.00 0.63 C ATOM 819 CG GLN A 107 -1.994 2.329 -7.846 1.00 1.11 C ATOM 820 CD GLN A 107 -3.332 1.681 -8.212 1.00 1.53 C ATOM 821 OE1 GLN A 107 -4.120 1.352 -7.348 1.00 2.13 O ATOM 822 NE2 GLN A 107 -3.624 1.480 -9.469 1.00 2.12 N ATOM 0 H GLN A 107 -2.060 4.479 -6.393 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.364 2.775 -4.833 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -1.269 0.998 -6.301 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.547 2.072 -5.769 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -2.049 3.408 -7.994 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.207 1.957 -8.503 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -2.964 1.755 -10.196 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -4.512 1.048 -9.723 1.00 2.12 H new ATOM 831 N ASP A 108 0.615 3.387 -7.933 1.00 0.56 N ATOM 832 CA ASP A 108 1.813 3.321 -8.817 1.00 0.59 C ATOM 833 C ASP A 108 2.986 4.042 -8.146 1.00 0.54 C ATOM 834 O ASP A 108 4.077 3.517 -8.053 1.00 0.54 O ATOM 835 CB ASP A 108 1.500 3.999 -10.153 1.00 0.72 C ATOM 836 CG ASP A 108 0.360 3.254 -10.850 1.00 0.81 C ATOM 837 OD1 ASP A 108 0.378 2.034 -10.831 1.00 1.42 O ATOM 838 OD2 ASP A 108 -0.511 3.915 -11.390 1.00 1.33 O ATOM 0 H ASP A 108 -0.207 3.825 -8.349 1.00 0.56 H new ATOM 0 HA ASP A 108 2.077 2.278 -8.989 1.00 0.59 H new ATOM 0 HB2 ASP A 108 1.221 5.040 -9.988 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.387 4.003 -10.787 1.00 0.72 H new ATOM 843 N ILE A 109 2.770 5.242 -7.682 1.00 0.55 N ATOM 844 CA ILE A 109 3.873 5.997 -7.022 1.00 0.54 C ATOM 845 C ILE A 109 4.503 5.135 -5.927 1.00 0.47 C ATOM 846 O ILE A 109 5.704 5.131 -5.746 1.00 0.53 O ATOM 847 CB ILE A 109 3.313 7.280 -6.400 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.447 8.019 -7.430 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.466 8.183 -5.957 1.00 0.63 C ATOM 850 CD1 ILE A 109 3.228 8.217 -8.734 1.00 1.47 C ATOM 0 H ILE A 109 1.877 5.733 -7.731 1.00 0.55 H new ATOM 0 HA ILE A 109 4.630 6.251 -7.764 1.00 0.54 H new ATOM 0 HB ILE A 109 2.703 7.023 -5.534 1.00 0.59 H new ATOM 0 HG12 ILE A 109 1.537 7.451 -7.625 1.00 0.70 H new ATOM 0 HG13 ILE A 109 2.140 8.986 -7.031 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.065 9.095 -5.515 1.00 0.63 H new ATOM 0 HG22 ILE A 109 5.075 7.660 -5.220 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.081 8.438 -6.820 1.00 0.63 H new ATOM 0 HD11 ILE A 109 2.603 8.742 -9.456 1.00 1.47 H new ATOM 0 HD12 ILE A 109 4.125 8.804 -8.535 1.00 1.47 H new ATOM 0 HD13 ILE A 109 3.512 7.246 -9.139 1.00 1.47 H new ATOM 862 N LEU A 110 3.708 4.405 -5.195 1.00 0.43 N ATOM 863 CA LEU A 110 4.271 3.547 -4.114 1.00 0.39 C ATOM 864 C LEU A 110 5.176 2.480 -4.733 1.00 0.38 C ATOM 865 O LEU A 110 6.378 2.492 -4.561 1.00 0.38 O ATOM 866 CB LEU A 110 3.126 2.871 -3.352 1.00 0.42 C ATOM 867 CG LEU A 110 3.669 2.145 -2.110 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.200 3.158 -1.075 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.540 1.316 -1.487 1.00 0.66 C ATOM 0 H LEU A 110 2.694 4.365 -5.298 1.00 0.43 H new ATOM 0 HA LEU A 110 4.852 4.160 -3.425 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.389 3.616 -3.053 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.616 2.161 -4.003 1.00 0.42 H new ATOM 0 HG LEU A 110 4.492 1.496 -2.408 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.579 2.623 -0.204 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.004 3.745 -1.519 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.392 3.823 -0.769 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.914 0.797 -0.605 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.721 1.975 -1.200 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.181 0.586 -2.213 1.00 0.66 H new ATOM 881 N ASP A 111 4.605 1.553 -5.455 1.00 0.40 N ATOM 882 CA ASP A 111 5.431 0.483 -6.084 1.00 0.42 C ATOM 883 C ASP A 111 6.575 1.115 -6.881 1.00 0.43 C ATOM 884 O ASP A 111 7.704 0.670 -6.822 1.00 0.42 O ATOM 885 CB ASP A 111 4.553 -0.351 -7.021 1.00 0.50 C ATOM 886 CG ASP A 111 3.558 -1.168 -6.195 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.985 -2.123 -5.567 1.00 1.19 O ATOM 888 OD2 ASP A 111 2.387 -0.824 -6.203 1.00 1.30 O ATOM 0 H ASP A 111 3.603 1.491 -5.636 1.00 0.40 H new ATOM 0 HA ASP A 111 5.847 -0.158 -5.307 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.019 0.301 -7.712 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.173 -1.015 -7.623 1.00 0.50 H new ATOM 893 N LEU A 112 6.293 2.148 -7.626 1.00 0.48 N ATOM 894 CA LEU A 112 7.366 2.806 -8.429 1.00 0.52 C ATOM 895 C LEU A 112 8.406 3.418 -7.488 1.00 0.48 C ATOM 896 O LEU A 112 9.586 3.143 -7.592 1.00 0.47 O ATOM 897 CB LEU A 112 6.744 3.906 -9.303 1.00 0.60 C ATOM 898 CG LEU A 112 7.807 4.529 -10.235 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.971 3.676 -11.497 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.364 5.935 -10.649 1.00 1.26 C ATOM 0 H LEU A 112 5.367 2.566 -7.714 1.00 0.48 H new ATOM 0 HA LEU A 112 7.851 2.068 -9.067 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.931 3.489 -9.898 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.311 4.680 -8.669 1.00 0.60 H new ATOM 0 HG LEU A 112 8.756 4.575 -9.700 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.723 4.126 -12.145 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.287 2.671 -11.218 1.00 1.45 H new ATOM 0 HD13 LEU A 112 7.020 3.623 -12.027 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.114 6.374 -11.307 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.411 5.876 -11.174 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.251 6.557 -9.761 1.00 1.26 H new ATOM 912 N TRP A 113 7.989 4.250 -6.573 1.00 0.48 N ATOM 913 CA TRP A 113 8.971 4.872 -5.641 1.00 0.48 C ATOM 914 C TRP A 113 9.865 3.780 -5.058 1.00 0.43 C ATOM 915 O TRP A 113 11.071 3.919 -4.998 1.00 0.45 O ATOM 916 CB TRP A 113 8.229 5.596 -4.515 1.00 0.52 C ATOM 917 CG TRP A 113 9.217 6.147 -3.538 1.00 0.56 C ATOM 918 CD1 TRP A 113 9.905 7.303 -3.688 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.637 5.584 -2.263 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.722 7.482 -2.585 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.592 6.446 -1.680 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.284 4.416 -1.566 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.177 6.158 -0.445 1.00 0.70 C ATOM 924 CZ3 TRP A 113 9.869 4.121 -0.325 1.00 0.58 C ATOM 925 CH2 TRP A 113 10.816 4.991 0.234 1.00 0.67 C ATOM 0 H TRP A 113 7.017 4.525 -6.431 1.00 0.48 H new ATOM 0 HA TRP A 113 9.583 5.595 -6.180 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.620 6.402 -4.926 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.550 4.908 -4.012 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.829 7.975 -4.530 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.344 8.280 -2.456 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.556 3.739 -1.989 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 11.904 6.833 -0.017 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.589 3.221 0.201 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.266 4.760 1.188 1.00 0.67 H new ATOM 936 N ILE A 114 9.289 2.684 -4.645 1.00 0.39 N ATOM 937 CA ILE A 114 10.117 1.581 -4.090 1.00 0.37 C ATOM 938 C ILE A 114 11.122 1.140 -5.161 1.00 0.39 C ATOM 939 O ILE A 114 12.178 0.620 -4.860 1.00 0.44 O ATOM 940 CB ILE A 114 9.216 0.396 -3.699 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.392 0.787 -2.464 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.086 -0.833 -3.386 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.400 -0.320 -2.099 1.00 1.00 C ATOM 0 H ILE A 114 8.285 2.507 -4.668 1.00 0.39 H new ATOM 0 HA ILE A 114 10.646 1.924 -3.201 1.00 0.37 H new ATOM 0 HB ILE A 114 8.545 0.150 -4.522 1.00 0.37 H new ATOM 0 HG12 ILE A 114 9.058 0.977 -1.622 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.853 1.714 -2.659 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.446 -1.671 -3.109 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.671 -1.098 -4.267 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.758 -0.602 -2.560 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.827 -0.021 -1.221 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.721 -0.490 -2.934 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.944 -1.239 -1.881 1.00 1.00 H new ATOM 955 N TYR A 115 10.786 1.323 -6.412 1.00 0.40 N ATOM 956 CA TYR A 115 11.703 0.892 -7.505 1.00 0.46 C ATOM 957 C TYR A 115 12.997 1.722 -7.517 1.00 0.51 C ATOM 958 O TYR A 115 14.065 1.215 -7.232 1.00 0.54 O ATOM 959 CB TYR A 115 10.995 1.033 -8.857 1.00 0.53 C ATOM 960 CG TYR A 115 11.713 0.192 -9.890 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.544 -1.199 -9.891 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.547 0.796 -10.839 1.00 0.74 C ATOM 963 CE1 TYR A 115 12.209 -1.984 -10.839 1.00 0.65 C ATOM 964 CE2 TYR A 115 13.210 0.009 -11.789 1.00 0.82 C ATOM 965 CZ TYR A 115 13.041 -1.380 -11.789 1.00 0.77 C ATOM 966 OH TYR A 115 13.697 -2.155 -12.724 1.00 0.87 O ATOM 0 H TYR A 115 9.915 1.753 -6.722 1.00 0.40 H new ATOM 0 HA TYR A 115 11.969 -0.150 -7.328 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.956 0.715 -8.771 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.983 2.078 -9.167 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.900 -1.665 -9.160 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.679 1.868 -10.838 1.00 0.74 H new ATOM 0 HE1 TYR A 115 12.080 -3.056 -10.838 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.852 0.475 -12.522 1.00 0.82 H new ATOM 0 HH TYR A 115 14.232 -1.579 -13.309 1.00 0.87 H new ATOM 976 N HIS A 116 12.925 2.981 -7.876 1.00 0.58 N ATOM 977 CA HIS A 116 14.171 3.813 -7.939 1.00 0.67 C ATOM 978 C HIS A 116 14.812 3.964 -6.551 1.00 0.67 C ATOM 979 O HIS A 116 15.652 4.818 -6.347 1.00 0.81 O ATOM 980 CB HIS A 116 13.844 5.193 -8.529 1.00 0.79 C ATOM 981 CG HIS A 116 13.153 6.062 -7.512 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.846 6.728 -6.514 1.00 1.99 N ATOM 983 CD2 HIS A 116 11.833 6.397 -7.339 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.949 7.426 -5.793 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.707 7.258 -6.253 1.00 2.74 N ATOM 0 H HIS A 116 12.064 3.467 -8.127 1.00 0.58 H new ATOM 0 HA HIS A 116 14.890 3.306 -8.583 1.00 0.67 H new ATOM 0 HB2 HIS A 116 14.762 5.677 -8.863 1.00 0.79 H new ATOM 0 HB3 HIS A 116 13.208 5.076 -9.406 1.00 0.79 H new ATOM 0 HD2 HIS A 116 11.016 6.046 -7.952 1.00 2.05 H new ATOM 0 HE1 HIS A 116 13.203 8.046 -4.946 1.00 2.71 H new ATOM 0 HE2 HIS A 116 10.850 7.672 -5.887 1.00 2.74 H new ATOM 993 N THR A 117 14.434 3.140 -5.604 1.00 0.63 N ATOM 994 CA THR A 117 15.031 3.225 -4.231 1.00 0.68 C ATOM 995 C THR A 117 15.603 1.861 -3.837 1.00 0.66 C ATOM 996 O THR A 117 16.800 1.652 -3.855 1.00 0.73 O ATOM 997 CB THR A 117 13.949 3.629 -3.227 1.00 0.80 C ATOM 998 OG1 THR A 117 12.801 2.817 -3.416 1.00 0.85 O ATOM 999 CG2 THR A 117 13.577 5.097 -3.439 1.00 0.91 C ATOM 0 H THR A 117 13.734 2.408 -5.722 1.00 0.63 H new ATOM 0 HA THR A 117 15.827 3.969 -4.229 1.00 0.68 H new ATOM 0 HB THR A 117 14.326 3.494 -2.213 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.063 3.367 -3.751 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.806 5.384 -2.724 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.459 5.721 -3.292 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.200 5.234 -4.453 1.00 0.91 H new ATOM 1007 N GLN A 118 14.758 0.935 -3.469 1.00 0.73 N ATOM 1008 CA GLN A 118 15.254 -0.412 -3.057 1.00 0.83 C ATOM 1009 C GLN A 118 15.442 -1.309 -4.285 1.00 0.72 C ATOM 1010 O GLN A 118 16.120 -2.317 -4.228 1.00 0.91 O ATOM 1011 CB GLN A 118 14.232 -1.047 -2.116 1.00 1.06 C ATOM 1012 CG GLN A 118 13.997 -0.119 -0.921 1.00 1.48 C ATOM 1013 CD GLN A 118 12.868 -0.673 -0.049 1.00 2.12 C ATOM 1014 OE1 GLN A 118 12.866 -0.484 1.151 1.00 2.89 O ATOM 1015 NE2 GLN A 118 11.902 -1.356 -0.602 1.00 2.13 N ATOM 0 H GLN A 118 13.745 1.053 -3.436 1.00 0.73 H new ATOM 0 HA GLN A 118 16.214 -0.304 -2.553 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.295 -1.223 -2.644 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.591 -2.017 -1.772 1.00 1.06 H new ATOM 0 HG2 GLN A 118 14.911 -0.028 -0.334 1.00 1.48 H new ATOM 0 HG3 GLN A 118 13.742 0.881 -1.270 1.00 1.48 H new ATOM 0 HE21 GLN A 118 11.902 -1.516 -1.609 1.00 2.13 H new ATOM 0 HE22 GLN A 118 11.147 -1.730 -0.026 1.00 2.13 H new ATOM 1024 N GLY A 119 14.861 -0.951 -5.396 1.00 0.86 N ATOM 1025 CA GLY A 119 15.024 -1.780 -6.625 1.00 0.85 C ATOM 1026 C GLY A 119 14.208 -3.074 -6.527 1.00 0.65 C ATOM 1027 O GLY A 119 14.363 -3.966 -7.337 1.00 0.67 O ATOM 0 H GLY A 119 14.280 -0.120 -5.507 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.705 -1.210 -7.497 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.077 -2.020 -6.769 1.00 0.85 H new ATOM 1031 N TYR A 120 13.336 -3.197 -5.560 1.00 0.54 N ATOM 1032 CA TYR A 120 12.532 -4.450 -5.466 1.00 0.44 C ATOM 1033 C TYR A 120 11.494 -4.444 -6.589 1.00 0.49 C ATOM 1034 O TYR A 120 10.783 -3.479 -6.784 1.00 0.70 O ATOM 1035 CB TYR A 120 11.809 -4.525 -4.110 1.00 0.48 C ATOM 1036 CG TYR A 120 12.743 -5.051 -3.034 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.282 -6.341 -3.138 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.057 -4.251 -1.928 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.134 -6.827 -2.137 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.907 -4.737 -0.929 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.446 -6.024 -1.032 1.00 0.75 C ATOM 1042 OH TYR A 120 15.285 -6.504 -0.045 1.00 0.91 O ATOM 0 H TYR A 120 13.148 -2.496 -4.843 1.00 0.54 H new ATOM 0 HA TYR A 120 13.193 -5.312 -5.557 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.444 -3.536 -3.831 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.938 -5.175 -4.192 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.041 -6.960 -3.989 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.642 -3.257 -1.846 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.550 -7.820 -2.217 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.147 -4.118 -0.077 1.00 0.71 H new ATOM 0 HH TYR A 120 15.398 -5.821 0.649 1.00 0.91 H new ATOM 1052 N PHE A 121 11.403 -5.509 -7.329 1.00 0.48 N ATOM 1053 CA PHE A 121 10.407 -5.554 -8.437 1.00 0.57 C ATOM 1054 C PHE A 121 9.010 -5.794 -7.836 1.00 0.55 C ATOM 1055 O PHE A 121 8.878 -6.480 -6.842 1.00 0.59 O ATOM 1056 CB PHE A 121 10.769 -6.690 -9.407 1.00 0.68 C ATOM 1057 CG PHE A 121 11.420 -7.823 -8.647 1.00 1.42 C ATOM 1058 CD1 PHE A 121 10.637 -8.703 -7.890 1.00 2.32 C ATOM 1059 CD2 PHE A 121 12.809 -7.994 -8.701 1.00 2.33 C ATOM 1060 CE1 PHE A 121 11.242 -9.753 -7.190 1.00 3.44 C ATOM 1061 CE2 PHE A 121 13.414 -9.044 -8.001 1.00 3.43 C ATOM 1062 CZ PHE A 121 12.631 -9.923 -7.245 1.00 3.85 C ATOM 0 H PHE A 121 11.971 -6.349 -7.218 1.00 0.48 H new ATOM 0 HA PHE A 121 10.411 -4.612 -8.985 1.00 0.57 H new ATOM 0 HB2 PHE A 121 9.873 -7.047 -9.914 1.00 0.68 H new ATOM 0 HB3 PHE A 121 11.445 -6.321 -10.178 1.00 0.68 H new ATOM 0 HD1 PHE A 121 9.566 -8.571 -7.846 1.00 2.32 H new ATOM 0 HD2 PHE A 121 13.414 -7.315 -9.283 1.00 2.33 H new ATOM 0 HE1 PHE A 121 10.638 -10.432 -6.607 1.00 3.44 H new ATOM 0 HE2 PHE A 121 14.485 -9.176 -8.044 1.00 3.43 H new ATOM 0 HZ PHE A 121 13.098 -10.733 -6.704 1.00 3.85 H new ATOM 1072 N PRO A 122 7.971 -5.237 -8.419 1.00 0.64 N ATOM 1073 CA PRO A 122 6.580 -5.411 -7.902 1.00 0.67 C ATOM 1074 C PRO A 122 5.973 -6.771 -8.266 1.00 0.73 C ATOM 1075 O PRO A 122 5.484 -6.980 -9.359 1.00 1.19 O ATOM 1076 CB PRO A 122 5.812 -4.277 -8.587 1.00 0.80 C ATOM 1077 CG PRO A 122 6.505 -4.110 -9.899 1.00 1.05 C ATOM 1078 CD PRO A 122 7.989 -4.377 -9.623 1.00 0.87 C ATOM 0 HA PRO A 122 6.545 -5.379 -6.813 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.761 -4.531 -8.721 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.846 -3.360 -7.999 1.00 0.80 H new ATOM 0 HG2 PRO A 122 6.113 -4.807 -10.640 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.355 -3.106 -10.296 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.470 -4.876 -10.465 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.537 -3.451 -9.446 1.00 0.87 H new ATOM 1086 N ASP A 123 5.983 -7.682 -7.340 1.00 0.56 N ATOM 1087 CA ASP A 123 5.392 -9.025 -7.585 1.00 0.64 C ATOM 1088 C ASP A 123 5.001 -9.599 -6.228 1.00 0.58 C ATOM 1089 O ASP A 123 4.971 -10.795 -6.019 1.00 0.65 O ATOM 1090 CB ASP A 123 6.413 -9.939 -8.272 1.00 0.74 C ATOM 1091 CG ASP A 123 7.575 -10.235 -7.323 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.643 -9.602 -6.282 1.00 1.38 O ATOM 1093 OD2 ASP A 123 8.378 -11.091 -7.654 1.00 1.27 O ATOM 0 H ASP A 123 6.381 -7.553 -6.410 1.00 0.56 H new ATOM 0 HA ASP A 123 4.523 -8.950 -8.239 1.00 0.64 H new ATOM 0 HB2 ASP A 123 5.934 -10.870 -8.574 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.786 -9.463 -9.179 1.00 0.74 H new ATOM 1098 N TRP A 124 4.722 -8.724 -5.295 1.00 0.53 N ATOM 1099 CA TRP A 124 4.345 -9.155 -3.916 1.00 0.52 C ATOM 1100 C TRP A 124 3.155 -8.337 -3.428 1.00 0.51 C ATOM 1101 O TRP A 124 2.354 -8.782 -2.631 1.00 0.55 O ATOM 1102 CB TRP A 124 5.535 -8.905 -2.992 1.00 0.49 C ATOM 1103 CG TRP A 124 5.911 -7.456 -3.074 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.751 -6.914 -3.993 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.461 -6.353 -2.233 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.849 -5.553 -3.759 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.072 -5.159 -2.687 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.593 -6.274 -1.130 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.830 -3.931 -2.069 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.345 -5.040 -0.506 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.963 -3.871 -0.975 1.00 0.55 C ATOM 0 H TRP A 124 4.740 -7.714 -5.434 1.00 0.53 H new ATOM 0 HA TRP A 124 4.077 -10.212 -3.918 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.280 -9.172 -1.966 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.378 -9.531 -3.284 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.259 -7.455 -4.777 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.425 -4.918 -4.311 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.114 -7.168 -0.760 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.309 -3.034 -2.434 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.675 -4.991 0.340 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.769 -2.925 -0.491 1.00 0.55 H new ATOM 1122 N GLN A 125 3.053 -7.141 -3.902 1.00 0.53 N ATOM 1123 CA GLN A 125 1.937 -6.246 -3.486 1.00 0.60 C ATOM 1124 C GLN A 125 0.642 -6.682 -4.176 1.00 0.66 C ATOM 1125 O GLN A 125 0.504 -6.577 -5.379 1.00 0.84 O ATOM 1126 CB GLN A 125 2.277 -4.805 -3.883 1.00 0.69 C ATOM 1127 CG GLN A 125 1.229 -3.835 -3.321 1.00 1.56 C ATOM 1128 CD GLN A 125 1.421 -3.682 -1.811 1.00 2.18 C ATOM 1129 OE1 GLN A 125 1.053 -4.553 -1.048 1.00 2.78 O ATOM 1130 NE2 GLN A 125 1.980 -2.598 -1.343 1.00 2.82 N ATOM 0 H GLN A 125 3.703 -6.730 -4.572 1.00 0.53 H new ATOM 0 HA GLN A 125 1.801 -6.305 -2.406 1.00 0.60 H new ATOM 0 HB2 GLN A 125 3.265 -4.541 -3.507 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.316 -4.720 -4.969 1.00 0.69 H new ATOM 0 HG2 GLN A 125 1.320 -2.864 -3.809 1.00 1.56 H new ATOM 0 HG3 GLN A 125 0.226 -4.206 -3.534 1.00 1.56 H new ATOM 0 HE21 GLN A 125 2.289 -1.866 -1.983 1.00 2.82 H new ATOM 0 HE22 GLN A 125 2.107 -2.483 -0.338 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.313 -7.159 -3.425 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.602 -7.591 -4.038 1.00 0.72 C ATOM 1141 C ASN A 126 -2.703 -7.581 -2.974 1.00 0.69 C ATOM 1142 O ASN A 126 -2.453 -7.327 -1.812 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.457 -9.002 -4.607 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.592 -8.960 -5.867 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -1.096 -8.796 -6.960 1.00 1.53 O ATOM 1146 ND2 ASN A 126 0.700 -9.104 -5.760 1.00 0.88 N ATOM 0 H ASN A 126 -0.257 -7.268 -2.412 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.865 -6.904 -4.842 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -1.005 -9.660 -3.865 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.439 -9.413 -4.841 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.287 -9.079 -6.594 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.124 -9.242 -4.842 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.917 -7.858 -3.365 1.00 0.69 N ATOM 1154 CA TYR A 127 -5.044 -7.858 -2.385 1.00 0.61 C ATOM 1155 C TYR A 127 -6.227 -8.622 -2.979 1.00 0.63 C ATOM 1156 O TYR A 127 -6.360 -8.742 -4.180 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.494 -6.416 -2.115 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.380 -5.625 -1.474 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -4.248 -5.603 -0.082 1.00 0.98 C ATOM 1160 CD2 TYR A 127 -3.484 -4.903 -2.273 1.00 0.93 C ATOM 1161 CE1 TYR A 127 -3.220 -4.862 0.514 1.00 1.19 C ATOM 1162 CE2 TYR A 127 -2.458 -4.161 -1.679 1.00 1.14 C ATOM 1163 CZ TYR A 127 -2.325 -4.140 -0.285 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.315 -3.406 0.300 1.00 1.48 O ATOM 0 H TYR A 127 -4.179 -8.085 -4.324 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.711 -8.327 -1.459 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.794 -5.941 -3.049 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.368 -6.418 -1.464 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.940 -6.158 0.534 1.00 0.98 H new ATOM 0 HD2 TYR A 127 -3.586 -4.919 -3.348 1.00 0.93 H new ATOM 0 HE1 TYR A 127 -3.118 -4.847 1.589 1.00 1.19 H new ATOM 0 HE2 TYR A 127 -1.768 -3.604 -2.296 1.00 1.14 H new ATOM 0 HH TYR A 127 -0.837 -3.965 0.947 1.00 1.48 H new ATOM 1174 N THR A 128 -7.093 -9.133 -2.147 1.00 0.62 N ATOM 1175 CA THR A 128 -8.271 -9.880 -2.671 1.00 0.68 C ATOM 1176 C THR A 128 -9.118 -8.924 -3.527 1.00 0.75 C ATOM 1177 O THR A 128 -9.163 -7.739 -3.260 1.00 0.97 O ATOM 1178 CB THR A 128 -9.110 -10.395 -1.499 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.483 -9.301 -0.671 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.292 -11.400 -0.686 1.00 0.90 C ATOM 0 H THR A 128 -7.036 -9.066 -1.131 1.00 0.62 H new ATOM 0 HA THR A 128 -7.939 -10.726 -3.274 1.00 0.68 H new ATOM 0 HB THR A 128 -10.006 -10.885 -1.879 1.00 0.86 H new ATOM 0 HG1 THR A 128 -10.022 -9.628 0.080 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.890 -11.766 0.148 1.00 0.90 H new ATOM 0 HG22 THR A 128 -8.007 -12.237 -1.323 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.395 -10.914 -0.303 1.00 0.90 H new ATOM 1188 N PRO A 129 -9.786 -9.416 -4.550 1.00 0.88 N ATOM 1189 CA PRO A 129 -10.628 -8.558 -5.435 1.00 1.15 C ATOM 1190 C PRO A 129 -11.999 -8.242 -4.823 1.00 1.51 C ATOM 1191 O PRO A 129 -12.295 -8.612 -3.704 1.00 2.29 O ATOM 1192 CB PRO A 129 -10.785 -9.416 -6.692 1.00 1.51 C ATOM 1193 CG PRO A 129 -10.785 -10.819 -6.180 1.00 1.27 C ATOM 1194 CD PRO A 129 -9.820 -10.829 -4.986 1.00 1.09 C ATOM 0 HA PRO A 129 -10.175 -7.583 -5.613 1.00 1.15 H new ATOM 0 HB2 PRO A 129 -11.710 -9.184 -7.219 1.00 1.51 H new ATOM 0 HB3 PRO A 129 -9.968 -9.248 -7.394 1.00 1.51 H new ATOM 0 HG2 PRO A 129 -11.786 -11.124 -5.876 1.00 1.27 H new ATOM 0 HG3 PRO A 129 -10.460 -11.517 -6.952 1.00 1.27 H new ATOM 0 HD2 PRO A 129 -10.174 -11.485 -4.191 1.00 1.09 H new ATOM 0 HD3 PRO A 129 -8.830 -11.183 -5.274 1.00 1.09 H new ATOM 1202 N GLY A 130 -12.837 -7.567 -5.563 1.00 1.64 N ATOM 1203 CA GLY A 130 -14.195 -7.225 -5.047 1.00 2.18 C ATOM 1204 C GLY A 130 -14.080 -6.210 -3.902 1.00 1.76 C ATOM 1205 O GLY A 130 -13.039 -6.075 -3.291 1.00 1.92 O ATOM 0 H GLY A 130 -12.639 -7.236 -6.507 1.00 1.64 H new ATOM 0 HA2 GLY A 130 -14.805 -6.812 -5.850 1.00 2.18 H new ATOM 0 HA3 GLY A 130 -14.698 -8.126 -4.696 1.00 2.18 H new ATOM 1209 N PRO A 131 -15.147 -5.504 -3.609 1.00 1.94 N ATOM 1210 CA PRO A 131 -15.168 -4.487 -2.514 1.00 2.04 C ATOM 1211 C PRO A 131 -15.187 -5.140 -1.126 1.00 1.43 C ATOM 1212 O PRO A 131 -15.415 -6.326 -0.994 1.00 1.44 O ATOM 1213 CB PRO A 131 -16.468 -3.714 -2.771 1.00 2.91 C ATOM 1214 CG PRO A 131 -17.367 -4.702 -3.441 1.00 3.25 C ATOM 1215 CD PRO A 131 -16.453 -5.592 -4.290 1.00 2.75 C ATOM 0 HA PRO A 131 -14.280 -3.855 -2.519 1.00 2.04 H new ATOM 0 HB2 PRO A 131 -16.903 -3.349 -1.841 1.00 2.91 H new ATOM 0 HB3 PRO A 131 -16.293 -2.844 -3.404 1.00 2.91 H new ATOM 0 HG2 PRO A 131 -17.915 -5.292 -2.707 1.00 3.25 H new ATOM 0 HG3 PRO A 131 -18.108 -4.198 -4.062 1.00 3.25 H new ATOM 0 HD2 PRO A 131 -16.817 -6.619 -4.327 1.00 2.75 H new ATOM 0 HD3 PRO A 131 -16.393 -5.238 -5.319 1.00 2.75 H new ATOM 1223 N GLY A 132 -14.945 -4.369 -0.092 1.00 1.58 N ATOM 1224 CA GLY A 132 -14.938 -4.925 1.301 1.00 1.44 C ATOM 1225 C GLY A 132 -13.544 -4.746 1.906 1.00 1.21 C ATOM 1226 O GLY A 132 -12.731 -3.998 1.401 1.00 1.21 O ATOM 0 H GLY A 132 -14.750 -3.370 -0.153 1.00 1.58 H new ATOM 0 HA2 GLY A 132 -15.682 -4.415 1.913 1.00 1.44 H new ATOM 0 HA3 GLY A 132 -15.208 -5.981 1.286 1.00 1.44 H new ATOM 1230 N ILE A 133 -13.253 -5.429 2.981 1.00 1.11 N ATOM 1231 CA ILE A 133 -11.903 -5.291 3.602 1.00 0.94 C ATOM 1232 C ILE A 133 -10.873 -5.954 2.682 1.00 0.92 C ATOM 1233 O ILE A 133 -10.784 -7.164 2.601 1.00 1.52 O ATOM 1234 CB ILE A 133 -11.892 -5.966 4.987 1.00 0.99 C ATOM 1235 CG1 ILE A 133 -12.643 -5.090 5.999 1.00 1.14 C ATOM 1236 CG2 ILE A 133 -10.447 -6.143 5.475 1.00 0.98 C ATOM 1237 CD1 ILE A 133 -14.046 -4.767 5.480 1.00 1.56 C ATOM 0 H ILE A 133 -13.887 -6.073 3.454 1.00 1.11 H new ATOM 0 HA ILE A 133 -11.657 -4.237 3.731 1.00 0.94 H new ATOM 0 HB ILE A 133 -12.376 -6.939 4.902 1.00 0.99 H new ATOM 0 HG12 ILE A 133 -12.711 -5.606 6.957 1.00 1.14 H new ATOM 0 HG13 ILE A 133 -12.090 -4.167 6.173 1.00 1.14 H new ATOM 0 HG21 ILE A 133 -10.450 -6.621 6.455 1.00 0.98 H new ATOM 0 HG22 ILE A 133 -9.898 -6.766 4.769 1.00 0.98 H new ATOM 0 HG23 ILE A 133 -9.966 -5.168 5.548 1.00 0.98 H new ATOM 0 HD11 ILE A 133 -14.569 -4.145 6.207 1.00 1.56 H new ATOM 0 HD12 ILE A 133 -13.970 -4.232 4.533 1.00 1.56 H new ATOM 0 HD13 ILE A 133 -14.601 -5.693 5.330 1.00 1.56 H new ATOM 1249 N ARG A 134 -10.097 -5.170 1.990 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.072 -5.743 1.074 1.00 0.49 C ATOM 1251 C ARG A 134 -7.902 -6.292 1.901 1.00 0.40 C ATOM 1252 O ARG A 134 -7.035 -5.558 2.335 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.586 -4.630 0.111 1.00 0.58 C ATOM 1254 CG ARG A 134 -9.230 -4.775 -1.286 1.00 1.06 C ATOM 1255 CD ARG A 134 -10.738 -5.082 -1.174 1.00 1.37 C ATOM 1256 NE ARG A 134 -10.957 -6.544 -1.369 1.00 1.86 N ATOM 1257 CZ ARG A 134 -12.064 -7.099 -0.960 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -12.965 -6.382 -0.350 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -12.260 -8.376 -1.144 1.00 3.36 N ATOM 0 H ARG A 134 -10.128 -4.151 2.019 1.00 0.51 H new ATOM 0 HA ARG A 134 -9.497 -6.559 0.490 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.832 -3.653 0.527 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.501 -4.674 0.020 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -9.084 -3.856 -1.854 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -8.733 -5.573 -1.838 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -11.113 -4.773 -0.198 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -11.293 -4.516 -1.922 1.00 1.37 H new ATOM 0 HE ARG A 134 -10.240 -7.111 -1.823 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -12.804 -5.387 -0.193 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -13.831 -6.816 -0.030 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -11.547 -8.940 -1.608 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -13.126 -8.810 -0.824 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.871 -7.585 2.106 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.757 -8.191 2.886 1.00 0.39 C ATOM 1275 C TYR A 135 -5.555 -8.390 1.945 1.00 0.36 C ATOM 1276 O TYR A 135 -5.733 -8.632 0.767 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.194 -9.555 3.435 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.519 -9.431 4.157 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.718 -9.439 3.435 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -8.548 -9.320 5.555 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.944 -9.336 4.106 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.773 -9.216 6.226 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.971 -9.224 5.501 1.00 0.92 C ATOM 1284 OH TYR A 135 -12.178 -9.123 6.163 1.00 1.17 O ATOM 0 H TYR A 135 -8.571 -8.245 1.766 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.488 -7.538 3.716 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.283 -10.272 2.619 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.435 -9.940 4.116 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.698 -9.525 2.359 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -7.624 -9.315 6.115 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.868 -9.343 3.547 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -9.794 -9.130 7.302 1.00 0.85 H new ATOM 0 HH TYR A 135 -12.017 -9.054 7.127 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.341 -8.295 2.441 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.119 -8.473 1.598 1.00 0.38 C ATOM 1296 C PRO A 136 -2.821 -9.952 1.311 1.00 0.37 C ATOM 1297 O PRO A 136 -2.777 -10.769 2.210 1.00 0.38 O ATOM 1298 CB PRO A 136 -2.012 -7.859 2.461 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.455 -8.115 3.865 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.986 -8.005 3.848 1.00 0.44 C ATOM 0 HA PRO A 136 -3.223 -8.010 0.617 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.046 -8.322 2.258 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.902 -6.792 2.267 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.138 -9.102 4.201 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -2.019 -7.389 4.551 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.447 -8.717 4.533 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.320 -7.012 4.149 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.612 -10.305 0.069 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.314 -11.734 -0.252 1.00 0.43 C ATOM 1310 C LEU A 137 -0.983 -12.137 0.386 1.00 0.41 C ATOM 1311 O LEU A 137 -0.924 -13.036 1.201 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.220 -11.933 -1.771 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.580 -11.673 -2.443 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.461 -11.861 -3.970 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.658 -12.624 -1.877 1.00 0.92 C ATOM 0 H LEU A 137 -2.634 -9.672 -0.731 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.119 -12.354 0.142 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.470 -11.258 -2.185 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.890 -12.949 -1.989 1.00 0.51 H new ATOM 0 HG LEU A 137 -3.878 -10.646 -2.232 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.429 -11.675 -4.436 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -2.726 -11.160 -4.367 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.144 -12.881 -4.187 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.612 -12.424 -2.365 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.365 -13.657 -2.062 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.759 -12.462 -0.804 1.00 0.92 H new ATOM 1327 N THR A 138 0.089 -11.489 0.015 1.00 0.50 N ATOM 1328 CA THR A 138 1.412 -11.853 0.597 1.00 0.55 C ATOM 1329 C THR A 138 1.404 -11.567 2.100 1.00 0.47 C ATOM 1330 O THR A 138 0.667 -10.730 2.582 1.00 0.50 O ATOM 1331 CB THR A 138 2.520 -11.034 -0.090 1.00 0.73 C ATOM 1332 OG1 THR A 138 2.021 -9.747 -0.416 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.971 -11.740 -1.373 1.00 1.04 C ATOM 0 H THR A 138 0.105 -10.727 -0.663 1.00 0.50 H new ATOM 0 HA THR A 138 1.603 -12.914 0.437 1.00 0.55 H new ATOM 0 HB THR A 138 3.368 -10.941 0.588 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.990 -9.645 -1.390 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.755 -11.155 -1.854 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.356 -12.730 -1.128 1.00 1.04 H new ATOM 0 HG23 THR A 138 2.124 -11.838 -2.052 1.00 1.04 H new ATOM 1341 N PHE A 139 2.217 -12.272 2.842 1.00 0.51 N ATOM 1342 CA PHE A 139 2.264 -12.064 4.323 1.00 0.49 C ATOM 1343 C PHE A 139 3.397 -11.102 4.682 1.00 0.65 C ATOM 1344 O PHE A 139 4.304 -10.873 3.907 1.00 1.43 O ATOM 1345 CB PHE A 139 2.502 -13.408 5.018 1.00 0.52 C ATOM 1346 CG PHE A 139 2.384 -13.234 6.519 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.163 -12.841 7.085 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.494 -13.463 7.346 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.052 -12.678 8.471 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.381 -13.301 8.734 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.160 -12.908 9.297 1.00 0.66 C ATOM 0 H PHE A 139 2.853 -12.986 2.487 1.00 0.51 H new ATOM 0 HA PHE A 139 1.316 -11.639 4.653 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.776 -14.143 4.669 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.490 -13.790 4.763 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.307 -12.664 6.451 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.436 -13.764 6.913 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.110 -12.374 8.904 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.236 -13.479 9.370 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.073 -12.782 10.366 1.00 0.66 H new ATOM 1361 N GLY A 140 3.346 -10.537 5.859 1.00 0.46 N ATOM 1362 CA GLY A 140 4.410 -9.584 6.295 1.00 0.43 C ATOM 1363 C GLY A 140 3.956 -8.156 5.998 1.00 0.35 C ATOM 1364 O GLY A 140 4.214 -7.238 6.750 1.00 0.32 O ATOM 0 H GLY A 140 2.607 -10.696 6.543 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.606 -9.702 7.361 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.343 -9.798 5.773 1.00 0.43 H new ATOM 1368 N TRP A 141 3.266 -7.965 4.911 1.00 0.34 N ATOM 1369 CA TRP A 141 2.780 -6.600 4.568 1.00 0.29 C ATOM 1370 C TRP A 141 1.630 -6.267 5.512 1.00 0.32 C ATOM 1371 O TRP A 141 0.501 -6.670 5.309 1.00 0.40 O ATOM 1372 CB TRP A 141 2.324 -6.599 3.103 1.00 0.33 C ATOM 1373 CG TRP A 141 2.018 -5.216 2.593 1.00 0.31 C ATOM 1374 CD1 TRP A 141 0.878 -4.898 1.937 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.821 -3.983 2.632 1.00 0.28 C ATOM 1376 NE1 TRP A 141 0.919 -3.567 1.571 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.087 -2.959 1.976 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.089 -3.643 3.160 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.586 -1.664 1.846 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.588 -2.335 3.028 1.00 0.31 C ATOM 1381 CH2 TRP A 141 3.839 -1.350 2.373 1.00 0.33 C ATOM 0 H TRP A 141 3.017 -8.695 4.244 1.00 0.34 H new ATOM 0 HA TRP A 141 3.561 -5.848 4.681 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.101 -7.047 2.484 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.437 -7.224 3.002 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.064 -5.578 1.732 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.174 -3.091 1.062 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.677 -4.393 3.668 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.005 -0.907 1.340 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.557 -2.088 3.435 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.231 -0.348 2.276 1.00 0.33 H new ATOM 1392 N CYS A 142 1.925 -5.566 6.572 1.00 0.31 N ATOM 1393 CA CYS A 142 0.882 -5.236 7.571 1.00 0.40 C ATOM 1394 C CYS A 142 0.027 -4.075 7.094 1.00 0.39 C ATOM 1395 O CYS A 142 -0.219 -3.136 7.825 1.00 0.48 O ATOM 1396 CB CYS A 142 1.563 -4.869 8.878 1.00 0.47 C ATOM 1397 SG CYS A 142 2.975 -3.794 8.533 1.00 1.45 S ATOM 0 H CYS A 142 2.855 -5.206 6.787 1.00 0.31 H new ATOM 0 HA CYS A 142 0.232 -6.100 7.712 1.00 0.40 H new ATOM 0 HB2 CYS A 142 0.859 -4.363 9.539 1.00 0.47 H new ATOM 0 HB3 CYS A 142 1.894 -5.770 9.394 1.00 0.47 H new ATOM 0 HG CYS A 142 3.821 -3.860 9.518 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.436 -4.137 5.881 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.296 -3.043 5.340 1.00 0.40 C ATOM 1405 C TYR A 143 -2.634 -3.639 4.903 1.00 0.43 C ATOM 1406 O TYR A 143 -2.691 -4.624 4.193 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.570 -2.380 4.152 1.00 0.55 C ATOM 1408 CG TYR A 143 0.063 -1.090 4.620 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.759 -0.031 5.013 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.454 -0.957 4.677 1.00 2.17 C ATOM 1411 CE1 TYR A 143 -0.194 1.161 5.460 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.019 0.241 5.126 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.189 1.297 5.516 1.00 3.52 C ATOM 1414 OH TYR A 143 1.730 2.477 5.955 1.00 4.57 O ATOM 0 H TYR A 143 -0.256 -4.903 5.232 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.484 -2.284 6.100 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.192 -3.051 3.755 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.274 -2.182 3.343 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.833 -0.137 4.970 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.090 -1.776 4.375 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.830 1.980 5.763 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.092 0.350 5.171 1.00 3.14 H new ATOM 0 HH TYR A 143 1.010 3.102 6.182 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.711 -3.040 5.342 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.074 -3.544 4.989 1.00 0.51 C ATOM 1426 C LYS A 144 -5.893 -2.394 4.402 1.00 0.43 C ATOM 1427 O LYS A 144 -6.265 -1.470 5.098 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.772 -4.047 6.261 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.235 -5.428 6.640 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.695 -5.786 8.060 1.00 1.24 C ATOM 1431 CE LYS A 144 -7.228 -5.765 8.140 1.00 1.57 C ATOM 1432 NZ LYS A 144 -7.673 -6.651 9.253 1.00 2.32 N ATOM 0 H LYS A 144 -3.704 -2.212 5.938 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.990 -4.354 4.265 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.605 -3.346 7.079 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.849 -4.098 6.099 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.592 -6.175 5.932 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -4.146 -5.433 6.587 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -5.323 -6.773 8.333 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -5.276 -5.078 8.775 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -7.581 -4.747 8.306 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -7.658 -6.102 7.197 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -8.711 -6.640 9.311 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -7.346 -7.622 9.075 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -7.272 -6.310 10.150 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.196 -2.445 3.135 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.011 -1.356 2.535 1.00 0.37 C ATOM 1448 C LEU A 145 -8.455 -1.550 2.999 1.00 0.38 C ATOM 1449 O LEU A 145 -8.913 -2.663 3.155 1.00 0.41 O ATOM 1450 CB LEU A 145 -6.922 -1.422 1.000 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.656 -0.685 0.508 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.217 -1.252 -0.847 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.944 0.817 0.355 1.00 0.52 C ATOM 0 H LEU A 145 -5.917 -3.188 2.494 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.645 -0.379 2.849 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -6.896 -2.462 0.674 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.810 -0.971 0.557 1.00 0.42 H new ATOM 0 HG LEU A 145 -4.862 -0.829 1.241 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.324 -0.728 -1.188 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -4.997 -2.314 -0.743 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.017 -1.117 -1.575 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.045 1.326 0.008 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.746 0.962 -0.369 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.246 1.230 1.318 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.169 -0.484 3.242 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.577 -0.616 3.727 1.00 0.50 C ATOM 1467 C VAL A 146 -11.326 0.693 3.407 1.00 0.59 C ATOM 1468 O VAL A 146 -10.829 1.763 3.696 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.570 -0.807 5.262 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -12.004 -0.835 5.811 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.883 -2.126 5.634 1.00 0.56 C ATOM 0 H VAL A 146 -8.839 0.474 3.126 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.059 -1.467 3.246 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.026 0.031 5.697 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.977 -0.970 6.892 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.502 0.105 5.575 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.552 -1.660 5.356 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.886 -2.245 6.717 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.419 -2.957 5.176 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.854 -2.115 5.274 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.511 0.630 2.837 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.295 1.859 2.522 1.00 0.81 C ATOM 1483 C PRO A 147 -13.926 2.456 3.787 1.00 0.91 C ATOM 1484 O PRO A 147 -13.985 1.817 4.816 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.367 1.363 1.547 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.591 -0.066 1.925 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.239 -0.591 2.426 1.00 0.75 C ATOM 0 HA PRO A 147 -12.680 2.656 2.103 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.284 1.945 1.637 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.034 1.452 0.513 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.353 -0.149 2.700 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -14.941 -0.645 1.070 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.363 -1.281 3.260 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.705 -1.130 1.643 1.00 0.75 H new ATOM 1495 N VAL A 148 -14.382 3.678 3.724 1.00 1.17 N ATOM 1496 CA VAL A 148 -14.995 4.316 4.931 1.00 1.29 C ATOM 1497 C VAL A 148 -16.479 3.952 5.009 1.00 1.32 C ATOM 1498 O VAL A 148 -17.264 4.603 5.669 1.00 1.88 O ATOM 1499 CB VAL A 148 -14.842 5.834 4.817 1.00 1.89 C ATOM 1500 CG1 VAL A 148 -14.962 6.484 6.201 1.00 2.07 C ATOM 1501 CG2 VAL A 148 -13.471 6.160 4.216 1.00 2.31 C ATOM 0 H VAL A 148 -14.358 4.264 2.890 1.00 1.17 H new ATOM 0 HA VAL A 148 -14.495 3.960 5.832 1.00 1.29 H new ATOM 0 HB VAL A 148 -15.630 6.225 4.174 1.00 1.89 H new ATOM 0 HG11 VAL A 148 -14.851 7.564 6.106 1.00 2.07 H new ATOM 0 HG12 VAL A 148 -15.939 6.255 6.627 1.00 2.07 H new ATOM 0 HG13 VAL A 148 -14.181 6.095 6.855 1.00 2.07 H new ATOM 0 HG21 VAL A 148 -13.358 7.241 4.133 1.00 2.31 H new ATOM 0 HG22 VAL A 148 -12.687 5.762 4.860 1.00 2.31 H new ATOM 0 HG23 VAL A 148 -13.391 5.710 3.227 1.00 2.31 H new ATOM 1511 N GLU A 149 -16.861 2.926 4.328 1.00 1.71 N ATOM 1512 CA GLU A 149 -18.297 2.510 4.333 1.00 2.15 C ATOM 1513 C GLU A 149 -18.718 1.904 5.686 1.00 2.52 C ATOM 1514 O GLU A 149 -19.835 2.093 6.121 1.00 2.96 O ATOM 1515 CB GLU A 149 -18.576 1.516 3.186 1.00 3.00 C ATOM 1516 CG GLU A 149 -18.707 2.281 1.863 1.00 3.61 C ATOM 1517 CD GLU A 149 -18.588 1.309 0.688 1.00 4.55 C ATOM 1518 OE1 GLU A 149 -19.490 0.507 0.515 1.00 5.12 O ATOM 1519 OE2 GLU A 149 -17.597 1.385 -0.019 1.00 5.02 O ATOM 0 H GLU A 149 -16.245 2.345 3.760 1.00 1.71 H new ATOM 0 HA GLU A 149 -18.896 3.407 4.178 1.00 2.15 H new ATOM 0 HB2 GLU A 149 -17.768 0.787 3.118 1.00 3.00 H new ATOM 0 HB3 GLU A 149 -19.491 0.959 3.388 1.00 3.00 H new ATOM 0 HG2 GLU A 149 -19.666 2.797 1.824 1.00 3.61 H new ATOM 0 HG3 GLU A 149 -17.932 3.044 1.795 1.00 3.61 H new ATOM 1526 N PRO A 150 -17.852 1.187 6.354 1.00 3.13 N ATOM 1527 CA PRO A 150 -18.178 0.567 7.674 1.00 4.08 C ATOM 1528 C PRO A 150 -18.412 1.625 8.756 1.00 4.33 C ATOM 1529 O PRO A 150 -19.025 1.372 9.774 1.00 4.84 O ATOM 1530 CB PRO A 150 -16.942 -0.303 8.003 1.00 4.93 C ATOM 1531 CG PRO A 150 -16.157 -0.385 6.726 1.00 4.81 C ATOM 1532 CD PRO A 150 -16.484 0.887 5.946 1.00 3.63 C ATOM 0 HA PRO A 150 -19.100 -0.013 7.636 1.00 4.08 H new ATOM 0 HB2 PRO A 150 -16.348 0.144 8.800 1.00 4.93 H new ATOM 0 HB3 PRO A 150 -17.240 -1.294 8.345 1.00 4.93 H new ATOM 0 HG2 PRO A 150 -15.088 -0.454 6.929 1.00 4.81 H new ATOM 0 HG3 PRO A 150 -16.431 -1.273 6.156 1.00 4.81 H new ATOM 0 HD2 PRO A 150 -15.802 1.699 6.197 1.00 3.63 H new ATOM 0 HD3 PRO A 150 -16.410 0.729 4.870 1.00 3.63 H new ATOM 1540 N GLU A 151 -17.917 2.802 8.531 1.00 4.44 N ATOM 1541 CA GLU A 151 -18.089 3.897 9.525 1.00 5.08 C ATOM 1542 C GLU A 151 -19.575 4.223 9.675 1.00 5.48 C ATOM 1543 O GLU A 151 -20.319 4.230 8.714 1.00 5.61 O ATOM 1544 CB GLU A 151 -17.334 5.141 9.040 1.00 5.57 C ATOM 1545 CG GLU A 151 -17.120 6.106 10.210 1.00 5.87 C ATOM 1546 CD GLU A 151 -15.980 5.596 11.093 1.00 6.47 C ATOM 1547 OE1 GLU A 151 -14.962 5.207 10.546 1.00 6.74 O ATOM 1548 OE2 GLU A 151 -16.144 5.603 12.302 1.00 6.96 O ATOM 0 H GLU A 151 -17.395 3.059 7.694 1.00 4.44 H new ATOM 0 HA GLU A 151 -17.692 3.582 10.490 1.00 5.08 H new ATOM 0 HB2 GLU A 151 -16.373 4.852 8.615 1.00 5.57 H new ATOM 0 HB3 GLU A 151 -17.898 5.634 8.248 1.00 5.57 H new ATOM 0 HG2 GLU A 151 -16.885 7.102 9.835 1.00 5.87 H new ATOM 0 HG3 GLU A 151 -18.036 6.193 10.795 1.00 5.87 H new ATOM 1555 N LYS A 152 -20.014 4.500 10.872 1.00 6.06 N ATOM 1556 CA LYS A 152 -21.451 4.832 11.080 1.00 6.80 C ATOM 1557 C LYS A 152 -21.657 6.312 10.780 1.00 7.18 C ATOM 1558 O LYS A 152 -22.223 6.687 9.770 1.00 7.59 O ATOM 1559 CB LYS A 152 -21.841 4.544 12.536 1.00 7.59 C ATOM 1560 CG LYS A 152 -22.008 3.032 12.744 1.00 7.87 C ATOM 1561 CD LYS A 152 -20.649 2.333 12.633 1.00 8.73 C ATOM 1562 CE LYS A 152 -20.744 0.924 13.220 1.00 9.22 C ATOM 1563 NZ LYS A 152 -19.424 0.246 13.088 1.00 9.63 N ATOM 0 H LYS A 152 -19.439 4.511 11.715 1.00 6.06 H new ATOM 0 HA LYS A 152 -22.072 4.227 10.419 1.00 6.80 H new ATOM 0 HB2 LYS A 152 -21.076 4.930 13.210 1.00 7.59 H new ATOM 0 HB3 LYS A 152 -22.770 5.058 12.781 1.00 7.59 H new ATOM 0 HG2 LYS A 152 -22.447 2.838 13.723 1.00 7.87 H new ATOM 0 HG3 LYS A 152 -22.695 2.628 12.001 1.00 7.87 H new ATOM 0 HD2 LYS A 152 -20.340 2.282 11.589 1.00 8.73 H new ATOM 0 HD3 LYS A 152 -19.889 2.908 13.163 1.00 8.73 H new ATOM 0 HE2 LYS A 152 -21.037 0.973 14.269 1.00 9.22 H new ATOM 0 HE3 LYS A 152 -21.513 0.352 12.701 1.00 9.22 H new ATOM 0 HZ1 LYS A 152 -19.485 -0.713 13.486 1.00 9.63 H new ATOM 0 HZ2 LYS A 152 -19.163 0.188 12.083 1.00 9.63 H new ATOM 0 HZ3 LYS A 152 -18.702 0.789 13.602 1.00 9.63 H new ATOM 1577 N LEU A 153 -21.190 7.147 11.653 1.00 7.34 N ATOM 1578 CA LEU A 153 -21.330 8.616 11.447 1.00 7.98 C ATOM 1579 C LEU A 153 -20.209 9.097 10.522 1.00 8.11 C ATOM 1580 O LEU A 153 -19.041 8.933 10.816 1.00 8.31 O ATOM 1581 CB LEU A 153 -21.215 9.336 12.799 1.00 8.45 C ATOM 1582 CG LEU A 153 -22.523 9.202 13.602 1.00 8.93 C ATOM 1583 CD1 LEU A 153 -23.631 10.080 12.991 1.00 9.23 C ATOM 1584 CD2 LEU A 153 -22.973 7.735 13.616 1.00 9.46 C ATOM 0 H LEU A 153 -20.711 6.877 12.512 1.00 7.34 H new ATOM 0 HA LEU A 153 -22.300 8.835 11.001 1.00 7.98 H new ATOM 0 HB2 LEU A 153 -20.387 8.916 13.371 1.00 8.45 H new ATOM 0 HB3 LEU A 153 -20.989 10.390 12.637 1.00 8.45 H new ATOM 0 HG LEU A 153 -22.339 9.538 14.623 1.00 8.93 H new ATOM 0 HD11 LEU A 153 -24.545 9.970 13.574 1.00 9.23 H new ATOM 0 HD12 LEU A 153 -23.316 11.124 13.003 1.00 9.23 H new ATOM 0 HD13 LEU A 153 -23.816 9.769 11.963 1.00 9.23 H new ATOM 0 HD21 LEU A 153 -23.898 7.644 14.185 1.00 9.46 H new ATOM 0 HD22 LEU A 153 -23.140 7.396 12.594 1.00 9.46 H new ATOM 0 HD23 LEU A 153 -22.200 7.122 14.080 1.00 9.46 H new ATOM 1596 N GLU A 154 -20.546 9.692 9.413 1.00 8.27 N ATOM 1597 CA GLU A 154 -19.484 10.180 8.490 1.00 8.64 C ATOM 1598 C GLU A 154 -18.854 11.434 9.095 1.00 8.97 C ATOM 1599 O GLU A 154 -19.388 12.521 8.994 1.00 9.31 O ATOM 1600 CB GLU A 154 -20.094 10.515 7.124 1.00 9.08 C ATOM 1601 CG GLU A 154 -18.973 10.793 6.117 1.00 9.38 C ATOM 1602 CD GLU A 154 -18.290 9.477 5.741 1.00 9.91 C ATOM 1603 OE1 GLU A 154 -18.993 8.553 5.364 1.00 10.25 O ATOM 1604 OE2 GLU A 154 -17.077 9.415 5.836 1.00 10.18 O ATOM 0 H GLU A 154 -21.504 9.861 9.107 1.00 8.27 H new ATOM 0 HA GLU A 154 -18.726 9.408 8.355 1.00 8.64 H new ATOM 0 HB2 GLU A 154 -20.712 9.687 6.777 1.00 9.08 H new ATOM 0 HB3 GLU A 154 -20.745 11.385 7.208 1.00 9.08 H new ATOM 0 HG2 GLU A 154 -19.380 11.272 5.226 1.00 9.38 H new ATOM 0 HG3 GLU A 154 -18.246 11.483 6.546 1.00 9.38 H new ATOM 1611 N GLU A 155 -17.725 11.290 9.732 1.00 9.09 N ATOM 1612 CA GLU A 155 -17.068 12.472 10.351 1.00 9.60 C ATOM 1613 C GLU A 155 -16.508 13.372 9.252 1.00 9.70 C ATOM 1614 O GLU A 155 -15.764 12.936 8.396 1.00 10.09 O ATOM 1615 CB GLU A 155 -15.926 12.007 11.259 1.00 10.07 C ATOM 1616 CG GLU A 155 -15.295 13.219 11.950 1.00 10.61 C ATOM 1617 CD GLU A 155 -14.389 12.745 13.086 1.00 11.03 C ATOM 1618 OE1 GLU A 155 -14.331 11.546 13.310 1.00 11.24 O ATOM 1619 OE2 GLU A 155 -13.769 13.587 13.714 1.00 11.33 O ATOM 0 H GLU A 155 -17.231 10.406 9.850 1.00 9.09 H new ATOM 0 HA GLU A 155 -17.798 13.026 10.942 1.00 9.60 H new ATOM 0 HB2 GLU A 155 -16.302 11.306 12.004 1.00 10.07 H new ATOM 0 HB3 GLU A 155 -15.175 11.477 10.673 1.00 10.07 H new ATOM 0 HG2 GLU A 155 -14.719 13.802 11.231 1.00 10.61 H new ATOM 0 HG3 GLU A 155 -16.074 13.874 12.341 1.00 10.61 H new ATOM 1626 N ALA A 156 -16.865 14.626 9.262 1.00 9.56 N ATOM 1627 CA ALA A 156 -16.358 15.550 8.212 1.00 9.82 C ATOM 1628 C ALA A 156 -16.710 16.990 8.586 1.00 9.59 C ATOM 1629 O ALA A 156 -17.850 17.309 8.863 1.00 9.64 O ATOM 1630 CB ALA A 156 -17.009 15.202 6.872 1.00 9.95 C ATOM 0 H ALA A 156 -17.486 15.050 9.952 1.00 9.56 H new ATOM 0 HA ALA A 156 -15.276 15.449 8.131 1.00 9.82 H new ATOM 0 HB1 ALA A 156 -16.639 15.878 6.101 1.00 9.95 H new ATOM 0 HB2 ALA A 156 -16.762 14.175 6.603 1.00 9.95 H new ATOM 0 HB3 ALA A 156 -18.091 15.305 6.956 1.00 9.95 H new ATOM 1636 N ASN A 157 -15.740 17.864 8.594 1.00 9.56 N ATOM 1637 CA ASN A 157 -16.021 19.284 8.948 1.00 9.52 C ATOM 1638 C ASN A 157 -16.602 20.007 7.731 1.00 9.04 C ATOM 1639 O ASN A 157 -17.620 20.665 7.815 1.00 9.05 O ATOM 1640 CB ASN A 157 -14.722 19.968 9.376 1.00 10.08 C ATOM 1641 CG ASN A 157 -15.013 21.419 9.768 1.00 10.54 C ATOM 1642 OD1 ASN A 157 -14.187 22.288 9.576 1.00 10.93 O ATOM 1643 ND2 ASN A 157 -16.161 21.718 10.313 1.00 10.75 N ATOM 0 H ASN A 157 -14.767 17.656 8.371 1.00 9.56 H new ATOM 0 HA ASN A 157 -16.738 19.320 9.768 1.00 9.52 H new ATOM 0 HB2 ASN A 157 -14.278 19.435 10.217 1.00 10.08 H new ATOM 0 HB3 ASN A 157 -13.998 19.938 8.562 1.00 10.08 H new ATOM 0 HD21 ASN A 157 -16.364 22.682 10.578 1.00 10.75 H new ATOM 0 HD22 ASN A 157 -16.855 20.988 10.474 1.00 10.75 H new ATOM 1650 N LYS A 158 -15.962 19.891 6.598 1.00 8.83 N ATOM 1651 CA LYS A 158 -16.479 20.572 5.379 1.00 8.52 C ATOM 1652 C LYS A 158 -17.754 19.862 4.909 1.00 8.03 C ATOM 1653 O LYS A 158 -18.398 19.160 5.663 1.00 8.18 O ATOM 1654 CB LYS A 158 -15.395 20.530 4.278 1.00 8.88 C ATOM 1655 CG LYS A 158 -15.442 21.812 3.434 1.00 9.31 C ATOM 1656 CD LYS A 158 -14.353 21.764 2.362 1.00 9.87 C ATOM 1657 CE LYS A 158 -14.385 23.060 1.550 1.00 10.59 C ATOM 1658 NZ LYS A 158 -15.772 23.312 1.069 1.00 10.96 N ATOM 0 H LYS A 158 -15.105 19.354 6.466 1.00 8.83 H new ATOM 0 HA LYS A 158 -16.717 21.613 5.599 1.00 8.52 H new ATOM 0 HB2 LYS A 158 -14.410 20.421 4.732 1.00 8.88 H new ATOM 0 HB3 LYS A 158 -15.549 19.660 3.639 1.00 8.88 H new ATOM 0 HG2 LYS A 158 -16.421 21.915 2.967 1.00 9.31 H new ATOM 0 HG3 LYS A 158 -15.299 22.684 4.072 1.00 9.31 H new ATOM 0 HD2 LYS A 158 -13.375 21.636 2.826 1.00 9.87 H new ATOM 0 HD3 LYS A 158 -14.509 20.907 1.707 1.00 9.87 H new ATOM 0 HE2 LYS A 158 -14.044 23.894 2.163 1.00 10.59 H new ATOM 0 HE3 LYS A 158 -13.703 22.988 0.703 1.00 10.59 H new ATOM 0 HZ1 LYS A 158 -15.746 23.970 0.264 1.00 10.96 H new ATOM 0 HZ2 LYS A 158 -16.204 22.415 0.769 1.00 10.96 H new ATOM 0 HZ3 LYS A 158 -16.336 23.727 1.838 1.00 10.96 H new ATOM 1672 N ASP A 174 -18.123 20.039 3.669 1.00 7.70 N ATOM 1673 CA ASP A 174 -19.357 19.379 3.149 1.00 7.46 C ATOM 1674 C ASP A 174 -19.172 19.053 1.665 1.00 6.93 C ATOM 1675 O ASP A 174 -19.255 19.917 0.815 1.00 7.21 O ATOM 1676 CB ASP A 174 -20.547 20.326 3.316 1.00 7.83 C ATOM 1677 CG ASP A 174 -20.216 21.672 2.672 1.00 8.11 C ATOM 1678 OD1 ASP A 174 -19.059 21.877 2.340 1.00 8.38 O ATOM 1679 OD2 ASP A 174 -21.122 22.474 2.519 1.00 8.32 O ATOM 0 H ASP A 174 -17.622 20.614 2.991 1.00 7.70 H new ATOM 0 HA ASP A 174 -19.541 18.459 3.704 1.00 7.46 H new ATOM 0 HB2 ASP A 174 -21.436 19.897 2.853 1.00 7.83 H new ATOM 0 HB3 ASP A 174 -20.773 20.462 4.374 1.00 7.83 H new ATOM 1684 N ASP A 175 -18.921 17.812 1.347 1.00 6.43 N ATOM 1685 CA ASP A 175 -18.732 17.424 -0.081 1.00 6.11 C ATOM 1686 C ASP A 175 -19.081 15.936 -0.241 1.00 5.51 C ATOM 1687 O ASP A 175 -18.967 15.175 0.698 1.00 5.46 O ATOM 1688 CB ASP A 175 -17.267 17.660 -0.477 1.00 6.61 C ATOM 1689 CG ASP A 175 -17.042 19.147 -0.766 1.00 7.27 C ATOM 1690 OD1 ASP A 175 -16.753 19.874 0.170 1.00 7.57 O ATOM 1691 OD2 ASP A 175 -17.164 19.530 -1.919 1.00 7.70 O ATOM 0 H ASP A 175 -18.838 17.047 2.017 1.00 6.43 H new ATOM 0 HA ASP A 175 -19.379 18.022 -0.723 1.00 6.11 H new ATOM 0 HB2 ASP A 175 -16.606 17.332 0.325 1.00 6.61 H new ATOM 0 HB3 ASP A 175 -17.018 17.067 -1.357 1.00 6.61 H new ATOM 1696 N PRO A 176 -19.504 15.514 -1.413 1.00 5.43 N ATOM 1697 CA PRO A 176 -19.864 14.088 -1.657 1.00 5.29 C ATOM 1698 C PRO A 176 -18.890 13.122 -0.973 1.00 4.96 C ATOM 1699 O PRO A 176 -17.730 13.428 -0.780 1.00 4.91 O ATOM 1700 CB PRO A 176 -19.783 13.957 -3.181 1.00 5.76 C ATOM 1701 CG PRO A 176 -20.124 15.319 -3.705 1.00 6.11 C ATOM 1702 CD PRO A 176 -19.683 16.331 -2.631 1.00 5.94 C ATOM 0 HA PRO A 176 -20.843 13.834 -1.251 1.00 5.29 H new ATOM 0 HB2 PRO A 176 -18.787 13.650 -3.498 1.00 5.76 H new ATOM 0 HB3 PRO A 176 -20.481 13.206 -3.550 1.00 5.76 H new ATOM 0 HG2 PRO A 176 -19.613 15.509 -4.649 1.00 6.11 H new ATOM 0 HG3 PRO A 176 -21.193 15.402 -3.899 1.00 6.11 H new ATOM 0 HD2 PRO A 176 -18.757 16.833 -2.913 1.00 5.94 H new ATOM 0 HD3 PRO A 176 -20.434 17.107 -2.483 1.00 5.94 H new ATOM 1710 N GLU A 177 -19.350 11.956 -0.611 1.00 5.10 N ATOM 1711 CA GLU A 177 -18.447 10.975 0.054 1.00 5.19 C ATOM 1712 C GLU A 177 -17.588 10.285 -1.009 1.00 4.50 C ATOM 1713 O GLU A 177 -17.624 9.080 -1.166 1.00 4.75 O ATOM 1714 CB GLU A 177 -19.286 9.931 0.797 1.00 6.10 C ATOM 1715 CG GLU A 177 -20.247 10.643 1.752 1.00 6.79 C ATOM 1716 CD GLU A 177 -21.131 9.612 2.459 1.00 7.52 C ATOM 1717 OE1 GLU A 177 -20.592 8.811 3.205 1.00 7.81 O ATOM 1718 OE2 GLU A 177 -22.332 9.643 2.243 1.00 8.01 O ATOM 0 H GLU A 177 -20.310 11.641 -0.747 1.00 5.10 H new ATOM 0 HA GLU A 177 -17.803 11.490 0.767 1.00 5.19 H new ATOM 0 HB2 GLU A 177 -19.845 9.323 0.086 1.00 6.10 H new ATOM 0 HB3 GLU A 177 -18.637 9.254 1.353 1.00 6.10 H new ATOM 0 HG2 GLU A 177 -19.684 11.219 2.487 1.00 6.79 H new ATOM 0 HG3 GLU A 177 -20.866 11.350 1.200 1.00 6.79 H new ATOM 1725 N ARG A 178 -16.825 11.044 -1.747 1.00 3.95 N ATOM 1726 CA ARG A 178 -15.969 10.444 -2.813 1.00 3.61 C ATOM 1727 C ARG A 178 -14.686 9.874 -2.196 1.00 3.28 C ATOM 1728 O ARG A 178 -13.632 9.893 -2.798 1.00 3.07 O ATOM 1729 CB ARG A 178 -15.620 11.530 -3.842 1.00 3.75 C ATOM 1730 CG ARG A 178 -15.174 10.886 -5.169 1.00 4.06 C ATOM 1731 CD ARG A 178 -16.359 10.184 -5.878 1.00 4.58 C ATOM 1732 NE ARG A 178 -16.413 10.597 -7.321 1.00 5.19 N ATOM 1733 CZ ARG A 178 -16.505 11.852 -7.672 1.00 5.87 C ATOM 1734 NH1 ARG A 178 -16.636 12.781 -6.764 1.00 6.06 N ATOM 1735 NH2 ARG A 178 -16.488 12.176 -8.935 1.00 6.66 N ATOM 0 H ARG A 178 -16.756 12.058 -1.658 1.00 3.95 H new ATOM 0 HA ARG A 178 -16.508 9.634 -3.304 1.00 3.61 H new ATOM 0 HB2 ARG A 178 -16.486 12.170 -4.013 1.00 3.75 H new ATOM 0 HB3 ARG A 178 -14.825 12.167 -3.454 1.00 3.75 H new ATOM 0 HG2 ARG A 178 -14.756 11.650 -5.824 1.00 4.06 H new ATOM 0 HG3 ARG A 178 -14.382 10.162 -4.977 1.00 4.06 H new ATOM 0 HD2 ARG A 178 -16.248 9.102 -5.805 1.00 4.58 H new ATOM 0 HD3 ARG A 178 -17.295 10.442 -5.382 1.00 4.58 H new ATOM 0 HE ARG A 178 -16.377 9.880 -8.045 1.00 5.19 H new ATOM 0 HH11 ARG A 178 -16.667 12.528 -5.776 1.00 6.06 H new ATOM 0 HH12 ARG A 178 -16.707 13.760 -7.042 1.00 6.06 H new ATOM 0 HH21 ARG A 178 -16.403 11.450 -9.647 1.00 6.66 H new ATOM 0 HH22 ARG A 178 -16.560 13.155 -9.211 1.00 6.66 H new ATOM 1749 N GLU A 179 -14.766 9.357 -1.002 1.00 3.66 N ATOM 1750 CA GLU A 179 -13.547 8.774 -0.364 1.00 3.59 C ATOM 1751 C GLU A 179 -13.313 7.370 -0.939 1.00 2.48 C ATOM 1752 O GLU A 179 -14.205 6.545 -0.965 1.00 2.75 O ATOM 1753 CB GLU A 179 -13.733 8.704 1.168 1.00 4.67 C ATOM 1754 CG GLU A 179 -15.228 8.610 1.518 1.00 5.63 C ATOM 1755 CD GLU A 179 -15.838 10.014 1.575 1.00 6.37 C ATOM 1756 OE1 GLU A 179 -15.445 10.843 0.772 1.00 6.87 O ATOM 1757 OE2 GLU A 179 -16.684 10.236 2.425 1.00 6.71 O ATOM 0 H GLU A 179 -15.616 9.312 -0.441 1.00 3.66 H new ATOM 0 HA GLU A 179 -12.682 9.403 -0.574 1.00 3.59 H new ATOM 0 HB2 GLU A 179 -13.204 7.839 1.567 1.00 4.67 H new ATOM 0 HB3 GLU A 179 -13.297 9.587 1.635 1.00 4.67 H new ATOM 0 HG2 GLU A 179 -15.748 8.008 0.773 1.00 5.63 H new ATOM 0 HG3 GLU A 179 -15.355 8.109 2.478 1.00 5.63 H new ATOM 1764 N VAL A 180 -12.122 7.093 -1.399 1.00 1.65 N ATOM 1765 CA VAL A 180 -11.832 5.745 -1.973 1.00 0.77 C ATOM 1766 C VAL A 180 -11.403 4.799 -0.854 1.00 0.63 C ATOM 1767 O VAL A 180 -12.071 4.680 0.154 1.00 0.64 O ATOM 1768 CB VAL A 180 -10.724 5.872 -3.025 1.00 1.22 C ATOM 1769 CG1 VAL A 180 -10.719 4.630 -3.929 1.00 2.08 C ATOM 1770 CG2 VAL A 180 -10.980 7.126 -3.878 1.00 1.28 C ATOM 0 H VAL A 180 -11.336 7.743 -1.402 1.00 1.65 H new ATOM 0 HA VAL A 180 -12.726 5.341 -2.449 1.00 0.77 H new ATOM 0 HB VAL A 180 -9.758 5.955 -2.527 1.00 1.22 H new ATOM 0 HG11 VAL A 180 -9.930 4.726 -4.675 1.00 2.08 H new ATOM 0 HG12 VAL A 180 -10.541 3.741 -3.324 1.00 2.08 H new ATOM 0 HG13 VAL A 180 -11.683 4.541 -4.430 1.00 2.08 H new ATOM 0 HG21 VAL A 180 -10.195 7.222 -4.628 1.00 1.28 H new ATOM 0 HG22 VAL A 180 -11.947 7.038 -4.373 1.00 1.28 H new ATOM 0 HG23 VAL A 180 -10.980 8.008 -3.238 1.00 1.28 H new ATOM 1780 N LEU A 181 -10.304 4.114 -1.027 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.834 3.152 0.029 1.00 0.52 C ATOM 1782 C LEU A 181 -8.599 3.708 0.731 1.00 0.47 C ATOM 1783 O LEU A 181 -7.744 4.290 0.109 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.459 1.820 -0.627 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.695 1.189 -1.305 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.249 0.283 -2.457 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.475 0.345 -0.289 1.00 0.87 C ATOM 0 H LEU A 181 -9.707 4.175 -1.852 1.00 0.58 H new ATOM 0 HA LEU A 181 -10.636 3.007 0.753 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.673 1.979 -1.365 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.059 1.137 0.123 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.331 1.988 -1.686 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.125 -0.160 -2.932 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.697 0.871 -3.190 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.607 -0.508 -2.070 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.345 -0.097 -0.775 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -10.833 -0.447 0.095 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -11.802 0.979 0.535 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.500 3.527 2.025 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.309 4.041 2.782 1.00 0.45 C ATOM 1801 C GLU A 182 -6.442 2.889 3.289 1.00 0.42 C ATOM 1802 O GLU A 182 -6.920 1.859 3.722 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.775 4.896 3.969 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.797 4.126 4.821 1.00 0.56 C ATOM 1805 CD GLU A 182 -10.197 4.251 4.208 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -10.297 4.743 3.098 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -11.143 3.848 4.863 1.00 1.62 O ATOM 0 H GLU A 182 -9.194 3.044 2.595 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.711 4.650 2.104 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.918 5.174 4.582 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.221 5.822 3.605 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -8.512 3.076 4.884 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.801 4.517 5.839 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.151 3.081 3.238 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.201 2.042 3.715 1.00 0.38 C ATOM 1816 C TRP A 183 -4.197 2.056 5.251 1.00 0.37 C ATOM 1817 O TRP A 183 -3.733 3.000 5.862 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.791 2.386 3.213 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.586 1.952 1.796 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.506 0.670 1.372 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.387 2.785 0.621 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.266 0.666 0.009 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.188 1.949 -0.501 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.362 4.176 0.424 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.965 2.477 -1.776 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.140 4.711 -0.854 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.940 3.864 -1.951 1.00 0.41 C ATOM 0 H TRP A 183 -4.711 3.928 2.880 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.497 1.061 3.344 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.629 3.461 3.291 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.050 1.905 3.852 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.612 -0.206 1.995 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -2.160 -0.180 -0.551 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.515 4.839 1.263 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.813 1.819 -2.619 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.123 5.782 -0.992 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.767 4.282 -2.932 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.698 1.031 5.887 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.703 1.014 7.386 1.00 0.35 C ATOM 1840 C ARG A 184 -3.437 0.314 7.884 1.00 0.31 C ATOM 1841 O ARG A 184 -3.350 -0.898 7.903 1.00 0.31 O ATOM 1842 CB ARG A 184 -5.937 0.250 7.885 1.00 0.40 C ATOM 1843 CG ARG A 184 -7.222 1.048 7.584 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.543 2.000 8.743 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.204 1.234 9.839 1.00 1.57 N ATOM 1846 CZ ARG A 184 -8.316 1.759 11.028 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -7.857 2.958 11.258 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -8.887 1.083 11.988 1.00 2.61 N ATOM 0 H ARG A 184 -5.102 0.208 5.441 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.732 2.036 7.764 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -5.987 -0.727 7.404 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -5.854 0.073 8.957 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -7.098 1.616 6.662 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -8.055 0.363 7.426 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -6.629 2.467 9.110 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -8.195 2.803 8.400 1.00 1.51 H new ATOM 0 HE ARG A 184 -8.569 0.299 9.659 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -7.410 3.486 10.508 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -7.945 3.368 12.188 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -9.245 0.145 11.808 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -8.975 1.493 12.918 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.448 1.070 8.278 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.180 0.453 8.764 1.00 0.31 C ATOM 1864 C PHE A 185 -1.409 -0.222 10.123 1.00 0.31 C ATOM 1865 O PHE A 185 -1.955 0.366 11.037 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.108 1.554 8.887 1.00 0.40 C ATOM 1867 CG PHE A 185 1.049 1.097 9.758 1.00 0.44 C ATOM 1868 CD1 PHE A 185 1.643 -0.154 9.543 1.00 0.62 C ATOM 1869 CD2 PHE A 185 1.530 1.931 10.778 1.00 0.65 C ATOM 1870 CE1 PHE A 185 2.707 -0.569 10.345 1.00 0.74 C ATOM 1871 CE2 PHE A 185 2.599 1.516 11.579 1.00 0.75 C ATOM 1872 CZ PHE A 185 3.189 0.265 11.361 1.00 0.71 C ATOM 0 H PHE A 185 -2.463 2.090 8.284 1.00 0.31 H new ATOM 0 HA PHE A 185 -0.844 -0.307 8.058 1.00 0.31 H new ATOM 0 HB2 PHE A 185 0.261 1.818 7.896 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.554 2.454 9.312 1.00 0.40 H new ATOM 0 HD1 PHE A 185 1.277 -0.797 8.756 1.00 0.62 H new ATOM 0 HD2 PHE A 185 1.074 2.896 10.945 1.00 0.65 H new ATOM 0 HE1 PHE A 185 3.160 -1.536 10.182 1.00 0.74 H new ATOM 0 HE2 PHE A 185 2.969 2.159 12.364 1.00 0.75 H new ATOM 0 HZ PHE A 185 4.016 -0.057 11.977 1.00 0.71 H new ATOM 1882 N ASP A 186 -0.992 -1.454 10.261 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.172 -2.173 11.548 1.00 0.32 C ATOM 1884 C ASP A 186 -0.112 -3.277 11.665 1.00 0.30 C ATOM 1885 O ASP A 186 -0.389 -4.440 11.446 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.568 -2.788 11.561 1.00 0.37 C ATOM 1887 CG ASP A 186 -2.991 -3.102 13.000 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.198 -2.864 13.896 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -4.102 -3.574 13.179 1.00 1.23 O ATOM 0 H ASP A 186 -0.531 -1.993 9.528 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.061 -1.487 12.388 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.281 -2.101 11.106 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.578 -3.700 10.963 1.00 0.37 H new ATOM 1894 N SER A 187 1.100 -2.910 12.001 1.00 0.33 N ATOM 1895 CA SER A 187 2.205 -3.913 12.129 1.00 0.34 C ATOM 1896 C SER A 187 1.737 -5.143 12.921 1.00 0.35 C ATOM 1897 O SER A 187 2.438 -6.132 13.006 1.00 0.37 O ATOM 1898 CB SER A 187 3.384 -3.269 12.863 1.00 0.40 C ATOM 1899 OG SER A 187 2.956 -2.842 14.150 1.00 1.32 O ATOM 0 H SER A 187 1.375 -1.947 12.194 1.00 0.33 H new ATOM 0 HA SER A 187 2.504 -4.231 11.130 1.00 0.34 H new ATOM 0 HB2 SER A 187 4.203 -3.982 12.957 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.764 -2.421 12.293 1.00 0.40 H new ATOM 0 HG SER A 187 3.708 -2.430 14.625 1.00 1.32 H new ATOM 1905 N ARG A 188 0.569 -5.099 13.507 1.00 0.40 N ATOM 1906 CA ARG A 188 0.091 -6.276 14.290 1.00 0.46 C ATOM 1907 C ARG A 188 -0.078 -7.483 13.361 1.00 0.42 C ATOM 1908 O ARG A 188 0.194 -8.606 13.737 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.254 -5.946 14.943 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.557 -6.980 16.028 1.00 1.40 C ATOM 1911 CD ARG A 188 -2.925 -6.692 16.649 1.00 1.75 C ATOM 1912 NE ARG A 188 -3.123 -7.577 17.831 1.00 2.37 N ATOM 1913 CZ ARG A 188 -4.078 -7.328 18.684 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -4.874 -6.310 18.501 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -4.238 -8.101 19.723 1.00 3.87 N ATOM 0 H ARG A 188 -0.070 -4.305 13.478 1.00 0.40 H new ATOM 0 HA ARG A 188 0.823 -6.513 15.062 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.225 -4.946 15.376 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.045 -5.946 14.193 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -1.545 -7.983 15.601 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.785 -6.951 16.797 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -2.989 -5.646 16.948 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.714 -6.862 15.916 1.00 1.75 H new ATOM 0 HE ARG A 188 -2.510 -8.380 17.974 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -4.751 -5.706 17.689 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -5.620 -6.119 19.170 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -3.617 -8.897 19.867 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -4.984 -7.909 20.392 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.522 -7.265 12.153 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.699 -8.403 11.206 1.00 0.46 C ATOM 1931 C LEU A 189 0.660 -9.082 11.000 1.00 0.41 C ATOM 1932 O LEU A 189 0.778 -10.071 10.304 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.240 -7.866 9.863 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.275 -8.828 9.264 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -2.825 -8.237 7.963 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -1.612 -10.176 8.967 1.00 1.78 C ATOM 0 H LEU A 189 -0.770 -6.348 11.781 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.409 -9.127 11.606 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -1.694 -6.887 10.015 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.416 -7.731 9.163 1.00 0.57 H new ATOM 0 HG LEU A 189 -3.089 -8.972 9.975 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -3.560 -8.919 7.536 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -3.298 -7.277 8.171 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -2.009 -8.094 7.255 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -2.348 -10.858 8.542 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -0.798 -10.032 8.257 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -1.217 -10.599 9.891 1.00 1.78 H new ATOM 1948 N ALA A 190 1.688 -8.557 11.603 1.00 0.37 N ATOM 1949 CA ALA A 190 3.031 -9.171 11.443 1.00 0.42 C ATOM 1950 C ALA A 190 3.066 -10.474 12.235 1.00 0.44 C ATOM 1951 O ALA A 190 4.089 -11.118 12.346 1.00 0.53 O ATOM 1952 CB ALA A 190 4.098 -8.218 11.981 1.00 0.47 C ATOM 0 H ALA A 190 1.655 -7.730 12.199 1.00 0.37 H new ATOM 0 HA ALA A 190 3.228 -9.368 10.389 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.083 -8.670 11.863 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.061 -7.280 11.427 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.913 -8.023 13.037 1.00 0.47 H new ATOM 1958 N PHE A 191 1.942 -10.866 12.791 1.00 0.42 N ATOM 1959 CA PHE A 191 1.888 -12.136 13.588 1.00 0.51 C ATOM 1960 C PHE A 191 0.637 -12.937 13.215 1.00 0.56 C ATOM 1961 O PHE A 191 0.633 -14.151 13.261 1.00 0.96 O ATOM 1962 CB PHE A 191 1.819 -11.811 15.084 1.00 0.58 C ATOM 1963 CG PHE A 191 3.062 -11.067 15.518 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.308 -11.706 15.487 1.00 1.81 C ATOM 1965 CD2 PHE A 191 2.967 -9.741 15.965 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.456 -11.020 15.900 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.115 -9.057 16.380 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.360 -9.696 16.347 1.00 3.15 C ATOM 0 H PHE A 191 1.058 -10.360 12.727 1.00 0.42 H new ATOM 0 HA PHE A 191 2.784 -12.717 13.369 1.00 0.51 H new ATOM 0 HB2 PHE A 191 0.935 -11.208 15.292 1.00 0.58 H new ATOM 0 HB3 PHE A 191 1.719 -12.732 15.659 1.00 0.58 H new ATOM 0 HD1 PHE A 191 4.383 -12.728 15.145 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.007 -9.247 15.989 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.417 -11.512 15.874 1.00 2.75 H new ATOM 0 HE2 PHE A 191 4.041 -8.037 16.726 1.00 2.87 H new ATOM 0 HZ PHE A 191 6.247 -9.168 16.666 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.432 -12.272 12.872 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.682 -13.009 12.527 1.00 0.72 C ATOM 1980 C HIS A 192 -1.541 -13.680 11.161 1.00 0.67 C ATOM 1981 O HIS A 192 -0.454 -13.835 10.642 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.858 -12.032 12.501 1.00 1.01 C ATOM 1983 CG HIS A 192 -3.074 -11.483 13.883 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -4.179 -10.713 14.209 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -2.338 -11.590 15.036 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -4.075 -10.387 15.511 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -2.970 -10.898 16.062 1.00 3.35 N ATOM 0 H HIS A 192 -0.495 -11.256 12.816 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.861 -13.777 13.279 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.657 -11.221 11.802 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -3.759 -12.537 12.152 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -1.408 -12.130 15.132 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -4.796 -9.786 16.045 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -2.658 -10.801 17.028 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.635 -14.096 10.587 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.574 -14.775 9.261 1.00 0.85 C ATOM 1997 C HIS A 193 -3.996 -14.936 8.713 1.00 0.74 C ATOM 1998 O HIS A 193 -4.418 -16.021 8.365 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.930 -16.155 9.440 1.00 1.28 C ATOM 2000 CG HIS A 193 -2.408 -16.754 10.736 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -3.749 -16.992 10.987 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -1.738 -17.150 11.867 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -3.845 -17.509 12.226 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -2.648 -17.626 12.806 1.00 3.87 N ATOM 0 H HIS A 193 -3.571 -13.995 10.979 1.00 0.77 H new ATOM 0 HA HIS A 193 -1.983 -14.183 8.562 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.193 -16.805 8.605 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.844 -16.066 9.444 1.00 1.28 H new ATOM 0 HD1 HIS A 193 -4.523 -16.809 10.349 1.00 2.84 H new ATOM 0 HD2 HIS A 193 -0.668 -17.100 12.007 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -4.776 -17.794 12.694 1.00 3.75 H new ATOM 2012 N MET A 194 -4.737 -13.866 8.641 1.00 0.73 N ATOM 2013 CA MET A 194 -6.131 -13.959 8.124 1.00 0.79 C ATOM 2014 C MET A 194 -6.108 -14.166 6.607 1.00 0.75 C ATOM 2015 O MET A 194 -6.776 -15.033 6.080 1.00 0.90 O ATOM 2016 CB MET A 194 -6.882 -12.665 8.451 1.00 0.91 C ATOM 2017 CG MET A 194 -6.996 -12.506 9.967 1.00 1.47 C ATOM 2018 SD MET A 194 -7.925 -10.999 10.342 1.00 2.35 S ATOM 2019 CE MET A 194 -7.950 -11.194 12.139 1.00 2.94 C ATOM 0 H MET A 194 -4.438 -12.931 8.918 1.00 0.73 H new ATOM 0 HA MET A 194 -6.635 -14.804 8.594 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.357 -11.810 8.024 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.875 -12.686 8.002 1.00 0.91 H new ATOM 0 HG2 MET A 194 -7.497 -13.373 10.398 1.00 1.47 H new ATOM 0 HG3 MET A 194 -6.003 -12.456 10.415 1.00 1.47 H new ATOM 0 HE1 MET A 194 -8.485 -10.357 12.588 1.00 2.94 H new ATOM 0 HE2 MET A 194 -8.452 -12.126 12.397 1.00 2.94 H new ATOM 0 HE3 MET A 194 -6.928 -11.216 12.517 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.349 -13.373 5.901 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.290 -13.519 4.418 1.00 0.76 C ATOM 2031 C ALA A 195 -5.041 -14.983 4.049 1.00 0.90 C ATOM 2032 O ALA A 195 -5.471 -15.454 3.014 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.155 -12.651 3.869 1.00 0.82 C ATOM 0 H ALA A 195 -4.767 -12.630 6.287 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.238 -13.199 3.985 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -4.109 -12.755 2.785 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.338 -11.608 4.126 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.209 -12.971 4.305 1.00 0.82 H new ATOM 2039 N ARG A 196 -4.355 -15.712 4.884 1.00 0.89 N ATOM 2040 CA ARG A 196 -4.087 -17.142 4.570 1.00 1.09 C ATOM 2041 C ARG A 196 -5.383 -17.946 4.707 1.00 1.21 C ATOM 2042 O ARG A 196 -5.634 -18.874 3.963 1.00 1.44 O ATOM 2043 CB ARG A 196 -3.036 -17.686 5.540 1.00 1.11 C ATOM 2044 CG ARG A 196 -2.562 -19.070 5.072 1.00 1.34 C ATOM 2045 CD ARG A 196 -1.387 -19.560 5.951 1.00 1.43 C ATOM 2046 NE ARG A 196 -1.491 -21.043 6.188 1.00 1.90 N ATOM 2047 CZ ARG A 196 -2.544 -21.581 6.747 1.00 2.46 C ATOM 2048 NH1 ARG A 196 -3.510 -20.830 7.201 1.00 2.75 N ATOM 2049 NH2 ARG A 196 -2.616 -22.878 6.882 1.00 3.31 N ATOM 0 H ARG A 196 -3.969 -15.380 5.768 1.00 0.89 H new ATOM 0 HA ARG A 196 -3.716 -17.230 3.549 1.00 1.09 H new ATOM 0 HB2 ARG A 196 -2.190 -17.001 5.595 1.00 1.11 H new ATOM 0 HB3 ARG A 196 -3.456 -17.755 6.544 1.00 1.11 H new ATOM 0 HG2 ARG A 196 -3.386 -19.781 5.125 1.00 1.34 H new ATOM 0 HG3 ARG A 196 -2.249 -19.021 4.029 1.00 1.34 H new ATOM 0 HD2 ARG A 196 -0.439 -19.329 5.464 1.00 1.43 H new ATOM 0 HD3 ARG A 196 -1.393 -19.032 6.904 1.00 1.43 H new ATOM 0 HE ARG A 196 -0.718 -21.645 5.905 1.00 1.90 H new ATOM 0 HH11 ARG A 196 -3.447 -19.815 7.121 1.00 2.75 H new ATOM 0 HH12 ARG A 196 -4.328 -21.258 7.635 1.00 2.75 H new ATOM 0 HH21 ARG A 196 -1.852 -23.468 6.552 1.00 3.31 H new ATOM 0 HH22 ARG A 196 -3.436 -23.301 7.318 1.00 3.31 H new ATOM 2063 N GLU A 197 -6.212 -17.597 5.652 1.00 1.18 N ATOM 2064 CA GLU A 197 -7.491 -18.339 5.838 1.00 1.45 C ATOM 2065 C GLU A 197 -8.458 -18.004 4.696 1.00 1.53 C ATOM 2066 O GLU A 197 -9.381 -18.742 4.417 1.00 1.76 O ATOM 2067 CB GLU A 197 -8.117 -17.935 7.176 1.00 1.53 C ATOM 2068 CG GLU A 197 -9.259 -18.892 7.528 1.00 1.99 C ATOM 2069 CD GLU A 197 -8.687 -20.247 7.950 1.00 2.56 C ATOM 2070 OE1 GLU A 197 -7.499 -20.310 8.223 1.00 3.04 O ATOM 2071 OE2 GLU A 197 -9.447 -21.201 7.994 1.00 3.13 O ATOM 0 H GLU A 197 -6.058 -16.828 6.305 1.00 1.18 H new ATOM 0 HA GLU A 197 -7.293 -19.411 5.833 1.00 1.45 H new ATOM 0 HB2 GLU A 197 -7.361 -17.953 7.961 1.00 1.53 H new ATOM 0 HB3 GLU A 197 -8.492 -16.913 7.118 1.00 1.53 H new ATOM 0 HG2 GLU A 197 -9.861 -18.474 8.335 1.00 1.99 H new ATOM 0 HG3 GLU A 197 -9.919 -19.017 6.670 1.00 1.99 H new ATOM 2078 N LEU A 198 -8.265 -16.895 4.037 1.00 1.41 N ATOM 2079 CA LEU A 198 -9.192 -16.528 2.927 1.00 1.56 C ATOM 2080 C LEU A 198 -8.932 -17.415 1.707 1.00 1.70 C ATOM 2081 O LEU A 198 -9.811 -18.116 1.250 1.00 1.95 O ATOM 2082 CB LEU A 198 -8.984 -15.061 2.529 1.00 1.47 C ATOM 2083 CG LEU A 198 -9.083 -14.146 3.757 1.00 1.53 C ATOM 2084 CD1 LEU A 198 -9.062 -12.681 3.300 1.00 1.82 C ATOM 2085 CD2 LEU A 198 -10.388 -14.424 4.521 1.00 1.83 C ATOM 0 H LEU A 198 -7.512 -16.231 4.216 1.00 1.41 H new ATOM 0 HA LEU A 198 -10.216 -16.672 3.272 1.00 1.56 H new ATOM 0 HB2 LEU A 198 -8.008 -14.942 2.058 1.00 1.47 H new ATOM 0 HB3 LEU A 198 -9.732 -14.770 1.791 1.00 1.47 H new ATOM 0 HG LEU A 198 -8.237 -14.341 4.417 1.00 1.53 H new ATOM 0 HD11 LEU A 198 -9.132 -12.028 4.170 1.00 1.82 H new ATOM 0 HD12 LEU A 198 -8.132 -12.479 2.768 1.00 1.82 H new ATOM 0 HD13 LEU A 198 -9.907 -12.495 2.637 1.00 1.82 H new ATOM 0 HD21 LEU A 198 -10.447 -13.769 5.390 1.00 1.83 H new ATOM 0 HD22 LEU A 198 -11.240 -14.237 3.867 1.00 1.83 H new ATOM 0 HD23 LEU A 198 -10.404 -15.464 4.848 1.00 1.83 H new ATOM 2097 N HIS A 199 -7.745 -17.378 1.157 1.00 1.61 N ATOM 2098 CA HIS A 199 -7.464 -18.214 -0.053 1.00 1.79 C ATOM 2099 C HIS A 199 -6.000 -18.667 -0.068 1.00 1.68 C ATOM 2100 O HIS A 199 -5.177 -18.096 -0.755 1.00 1.85 O ATOM 2101 CB HIS A 199 -7.749 -17.379 -1.301 1.00 2.06 C ATOM 2102 CG HIS A 199 -9.046 -16.642 -1.114 1.00 2.04 C ATOM 2103 ND1 HIS A 199 -10.275 -17.270 -1.238 1.00 2.62 N ATOM 2104 CD2 HIS A 199 -9.325 -15.332 -0.806 1.00 2.05 C ATOM 2105 CE1 HIS A 199 -11.228 -16.350 -1.006 1.00 2.96 C ATOM 2106 NE2 HIS A 199 -10.703 -15.150 -0.738 1.00 2.51 N ATOM 0 H HIS A 199 -6.964 -16.812 1.488 1.00 1.61 H new ATOM 0 HA HIS A 199 -8.100 -19.099 -0.033 1.00 1.79 H new ATOM 0 HB2 HIS A 199 -6.937 -16.673 -1.475 1.00 2.06 H new ATOM 0 HB3 HIS A 199 -7.805 -18.022 -2.179 1.00 2.06 H new ATOM 0 HD2 HIS A 199 -8.587 -14.561 -0.642 1.00 2.05 H new ATOM 0 HE1 HIS A 199 -12.288 -16.555 -1.033 1.00 2.96 H new ATOM 0 HE2 HIS A 199 -11.205 -14.287 -0.529 1.00 2.51 H new ATOM 2114 N PRO A 200 -5.679 -19.695 0.675 1.00 1.59 N ATOM 2115 CA PRO A 200 -4.301 -20.247 0.741 1.00 1.65 C ATOM 2116 C PRO A 200 -4.057 -21.312 -0.338 1.00 1.89 C ATOM 2117 O PRO A 200 -2.984 -21.410 -0.899 1.00 2.44 O ATOM 2118 CB PRO A 200 -4.258 -20.872 2.136 1.00 1.85 C ATOM 2119 CG PRO A 200 -5.664 -21.345 2.389 1.00 1.95 C ATOM 2120 CD PRO A 200 -6.597 -20.448 1.548 1.00 1.72 C ATOM 0 HA PRO A 200 -3.535 -19.491 0.570 1.00 1.65 H new ATOM 0 HB2 PRO A 200 -3.549 -21.699 2.177 1.00 1.85 H new ATOM 0 HB3 PRO A 200 -3.944 -20.145 2.885 1.00 1.85 H new ATOM 0 HG2 PRO A 200 -5.776 -22.392 2.106 1.00 1.95 H new ATOM 0 HG3 PRO A 200 -5.911 -21.273 3.448 1.00 1.95 H new ATOM 0 HD2 PRO A 200 -7.303 -21.041 0.967 1.00 1.72 H new ATOM 0 HD3 PRO A 200 -7.184 -19.781 2.179 1.00 1.72 H new ATOM 2128 N GLU A 201 -5.049 -22.111 -0.621 1.00 1.95 N ATOM 2129 CA GLU A 201 -4.885 -23.178 -1.650 1.00 2.41 C ATOM 2130 C GLU A 201 -4.256 -22.595 -2.920 1.00 2.20 C ATOM 2131 O GLU A 201 -3.789 -23.319 -3.777 1.00 2.62 O ATOM 2132 CB GLU A 201 -6.258 -23.773 -1.985 1.00 2.93 C ATOM 2133 CG GLU A 201 -6.080 -25.133 -2.668 1.00 3.65 C ATOM 2134 CD GLU A 201 -5.577 -26.157 -1.649 1.00 4.31 C ATOM 2135 OE1 GLU A 201 -6.155 -26.232 -0.578 1.00 4.86 O ATOM 2136 OE2 GLU A 201 -4.623 -26.852 -1.959 1.00 4.64 O ATOM 0 H GLU A 201 -5.969 -22.071 -0.183 1.00 1.95 H new ATOM 0 HA GLU A 201 -4.231 -23.956 -1.257 1.00 2.41 H new ATOM 0 HB2 GLU A 201 -6.847 -23.887 -1.075 1.00 2.93 H new ATOM 0 HB3 GLU A 201 -6.808 -23.096 -2.639 1.00 2.93 H new ATOM 0 HG2 GLU A 201 -7.027 -25.464 -3.094 1.00 3.65 H new ATOM 0 HG3 GLU A 201 -5.372 -25.047 -3.492 1.00 3.65 H new ATOM 2143 N TYR A 202 -4.239 -21.298 -3.052 1.00 1.91 N ATOM 2144 CA TYR A 202 -3.640 -20.685 -4.271 1.00 2.02 C ATOM 2145 C TYR A 202 -2.118 -20.677 -4.141 1.00 2.17 C ATOM 2146 O TYR A 202 -1.408 -21.086 -5.038 1.00 2.63 O ATOM 2147 CB TYR A 202 -4.152 -19.251 -4.422 1.00 2.25 C ATOM 2148 CG TYR A 202 -5.591 -19.283 -4.878 1.00 2.62 C ATOM 2149 CD1 TYR A 202 -6.597 -19.654 -3.979 1.00 2.97 C ATOM 2150 CD2 TYR A 202 -5.919 -18.950 -6.198 1.00 3.00 C ATOM 2151 CE1 TYR A 202 -7.932 -19.693 -4.398 1.00 3.63 C ATOM 2152 CE2 TYR A 202 -7.254 -18.987 -6.618 1.00 3.60 C ATOM 2153 CZ TYR A 202 -8.260 -19.359 -5.718 1.00 3.90 C ATOM 2154 OH TYR A 202 -9.575 -19.399 -6.133 1.00 4.66 O ATOM 0 H TYR A 202 -4.613 -20.637 -2.371 1.00 1.91 H new ATOM 0 HA TYR A 202 -3.924 -21.265 -5.149 1.00 2.02 H new ATOM 0 HB2 TYR A 202 -4.070 -18.721 -3.473 1.00 2.25 H new ATOM 0 HB3 TYR A 202 -3.541 -18.708 -5.144 1.00 2.25 H new ATOM 0 HD1 TYR A 202 -6.343 -19.910 -2.961 1.00 2.97 H new ATOM 0 HD2 TYR A 202 -5.142 -18.665 -6.892 1.00 3.00 H new ATOM 0 HE1 TYR A 202 -8.708 -19.980 -3.704 1.00 3.63 H new ATOM 0 HE2 TYR A 202 -7.508 -18.729 -7.636 1.00 3.60 H new ATOM 0 HH TYR A 202 -9.629 -19.138 -7.076 1.00 4.66 H new ATOM 2164 N PHE A 203 -1.609 -20.222 -3.027 1.00 2.24 N ATOM 2165 CA PHE A 203 -0.129 -20.192 -2.834 1.00 2.91 C ATOM 2166 C PHE A 203 0.319 -21.494 -2.155 1.00 3.51 C ATOM 2167 O PHE A 203 0.111 -21.690 -0.975 1.00 4.00 O ATOM 2168 CB PHE A 203 0.250 -18.993 -1.949 1.00 3.09 C ATOM 2169 CG PHE A 203 -0.623 -17.805 -2.283 1.00 2.66 C ATOM 2170 CD1 PHE A 203 -0.275 -16.949 -3.337 1.00 2.71 C ATOM 2171 CD2 PHE A 203 -1.776 -17.549 -1.528 1.00 2.55 C ATOM 2172 CE1 PHE A 203 -1.080 -15.842 -3.638 1.00 2.44 C ATOM 2173 CE2 PHE A 203 -2.579 -16.441 -1.827 1.00 2.24 C ATOM 2174 CZ PHE A 203 -2.233 -15.587 -2.882 1.00 2.05 C ATOM 0 H PHE A 203 -2.155 -19.869 -2.241 1.00 2.24 H new ATOM 0 HA PHE A 203 0.364 -20.096 -3.801 1.00 2.91 H new ATOM 0 HB2 PHE A 203 0.133 -19.256 -0.898 1.00 3.09 H new ATOM 0 HB3 PHE A 203 1.299 -18.737 -2.099 1.00 3.09 H new ATOM 0 HD1 PHE A 203 0.615 -17.143 -3.918 1.00 2.71 H new ATOM 0 HD2 PHE A 203 -2.045 -18.207 -0.715 1.00 2.55 H new ATOM 0 HE1 PHE A 203 -0.812 -15.185 -4.452 1.00 2.44 H new ATOM 0 HE2 PHE A 203 -3.466 -16.245 -1.243 1.00 2.24 H new ATOM 0 HZ PHE A 203 -2.853 -14.734 -3.113 1.00 2.05 H new ATOM 2184 N LYS A 204 0.936 -22.385 -2.888 1.00 3.84 N ATOM 2185 CA LYS A 204 1.397 -23.666 -2.276 1.00 4.59 C ATOM 2186 C LYS A 204 2.766 -23.449 -1.628 1.00 5.09 C ATOM 2187 O LYS A 204 3.086 -22.365 -1.185 1.00 5.47 O ATOM 2188 CB LYS A 204 1.509 -24.744 -3.358 1.00 5.01 C ATOM 2189 CG LYS A 204 0.147 -24.939 -4.030 1.00 5.49 C ATOM 2190 CD LYS A 204 0.286 -25.916 -5.206 1.00 6.17 C ATOM 2191 CE LYS A 204 0.707 -27.299 -4.693 1.00 6.89 C ATOM 2192 NZ LYS A 204 0.320 -28.335 -5.692 1.00 7.32 N ATOM 0 H LYS A 204 1.140 -22.281 -3.882 1.00 3.84 H new ATOM 0 HA LYS A 204 0.679 -23.988 -1.521 1.00 4.59 H new ATOM 0 HB2 LYS A 204 2.254 -24.454 -4.099 1.00 5.01 H new ATOM 0 HB3 LYS A 204 1.846 -25.682 -2.918 1.00 5.01 H new ATOM 0 HG2 LYS A 204 -0.574 -25.324 -3.308 1.00 5.49 H new ATOM 0 HG3 LYS A 204 -0.236 -23.981 -4.383 1.00 5.49 H new ATOM 0 HD2 LYS A 204 -0.661 -25.990 -5.741 1.00 6.17 H new ATOM 0 HD3 LYS A 204 1.025 -25.542 -5.915 1.00 6.17 H new ATOM 0 HE2 LYS A 204 1.784 -27.325 -4.524 1.00 6.89 H new ATOM 0 HE3 LYS A 204 0.229 -27.505 -3.735 1.00 6.89 H new ATOM 0 HZ1 LYS A 204 0.604 -29.274 -5.346 1.00 7.32 H new ATOM 0 HZ2 LYS A 204 -0.710 -28.315 -5.832 1.00 7.32 H new ATOM 0 HZ3 LYS A 204 0.796 -28.140 -6.596 1.00 7.32 H new ATOM 2206 N ASN A 205 3.580 -24.467 -1.574 1.00 5.49 N ATOM 2207 CA ASN A 205 4.927 -24.308 -0.959 1.00 6.31 C ATOM 2208 C ASN A 205 5.786 -23.409 -1.852 1.00 6.66 C ATOM 2209 O ASN A 205 6.943 -23.685 -2.100 1.00 6.90 O ATOM 2210 CB ASN A 205 5.594 -25.678 -0.823 1.00 6.97 C ATOM 2211 CG ASN A 205 5.847 -26.265 -2.213 1.00 7.47 C ATOM 2212 OD1 ASN A 205 6.980 -26.476 -2.598 1.00 7.58 O ATOM 2213 ND2 ASN A 205 4.834 -26.539 -2.990 1.00 8.08 N ATOM 0 H ASN A 205 3.371 -25.400 -1.929 1.00 5.49 H new ATOM 0 HA ASN A 205 4.826 -23.857 0.028 1.00 6.31 H new ATOM 0 HB2 ASN A 205 6.534 -25.584 -0.280 1.00 6.97 H new ATOM 0 HB3 ASN A 205 4.958 -26.348 -0.244 1.00 6.97 H new ATOM 0 HD21 ASN A 205 4.994 -26.930 -3.919 1.00 8.08 H new ATOM 0 HD22 ASN A 205 3.882 -26.363 -2.668 1.00 8.08 H new ATOM 2220 N ALA A 206 5.227 -22.333 -2.338 1.00 7.01 N ATOM 2221 CA ALA A 206 6.006 -21.415 -3.216 1.00 7.67 C ATOM 2222 C ALA A 206 5.365 -20.026 -3.194 1.00 7.99 C ATOM 2223 O ALA A 206 5.324 -19.397 -4.239 1.00 8.32 O ATOM 2224 CB ALA A 206 6.001 -21.956 -4.647 1.00 8.33 C ATOM 2225 OXT ALA A 206 4.926 -19.616 -2.133 1.00 8.16 O ATOM 0 H ALA A 206 4.262 -22.050 -2.164 1.00 7.01 H new ATOM 0 HA ALA A 206 7.033 -21.348 -2.856 1.00 7.67 H new ATOM 0 HB1 ALA A 206 6.570 -21.286 -5.291 1.00 8.33 H new ATOM 0 HB2 ALA A 206 6.455 -22.947 -4.663 1.00 8.33 H new ATOM 0 HB3 ALA A 206 4.975 -22.021 -5.008 1.00 8.33 H new TER 2231 ALA A 206