USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1073 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 82 HIS : no HD1:sc= -0.321 X(o=-0.3,f=0.023) USER MOD Set 1.2: A 132 THR OG1 : rot 46:sc= 0.0227 USER MOD Set 2.1: A 47 THR OG1 : rot 41:sc= 0.798 USER MOD Set 2.2: A 50 ASN :FLIP amide:sc= 0.477 F(o=-2.9!,f=1.3) USER MOD Set 3.1: A 27 MET CE :methyl 150:sc= -0.515 (180deg=-3.5!) USER MOD Set 3.2: A 31 ASN : amide:sc= -0.234! K(o=0.25!,f=-2.6) USER MOD Set 3.3: A 33 TYR OH : rot -87:sc= 1.23 USER MOD Set 3.4: A 98 TYR OH : rot 0:sc= -0.232 USER MOD Single : A 1 ARG N :NH3+ -119:sc= -1.21! (180deg=-5.48!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -124:sc= -1.15 USER MOD Single : A 9 GLN :FLIP amide:sc= -2.33! C(o=-7.5!,f=-2.3!) USER MOD Single : A 14 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.0067) USER MOD Single : A 15 HIS :FLIP no HE2:sc= 0.355 F(o=-2.1,f=0.35) USER MOD Single : A 17 SER OG : rot 144:sc= -1.34 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.377 F(o=-1.4,f=-0.38) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -3.39! C(o=-5.4!,f=-3.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 170:sc= -1.13 USER MOD Single : A 53 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 57 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.2) USER MOD Single : A 58 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0436 USER MOD Single : A 64 HIS : no HD1:sc= -9.57! C(o=-9.6!,f=-13!) USER MOD Single : A 65 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.81) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.59 K(o=-0.59,f=-2.3!) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.0289 F(o=-2!,f=-0.029) USER MOD Single : A 72 HIS : no HE2:sc= -8.09! C(o=-8.1!,f=-11!) USER MOD Single : A 74 SER OG : rot 160:sc= -1.06 USER MOD Single : A 87 ASN : amide:sc= -1.9 K(o=-1.9,f=-5.5!) USER MOD Single : A 91 GLN : amide:sc= -4.45! C(o=-4.4!,f=-5.6!) USER MOD Single : A 92 ASN : amide:sc= -4.24! C(o=-4.2!,f=-12!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0604 K(o=-0.06,f=-1.1) USER MOD Single : A 107 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 113 ASN : amide:sc= -0.0134 K(o=-0.013,f=-1.7!) USER MOD Single : A 119 SER OG : rot -50:sc= -1.16 USER MOD Single : A 122 TYR OH : rot 180:sc= -0.524 USER MOD Single : A 128 HIS :FLIP no HD1:sc= -1.82! C(o=-3.7!,f=-1.8!) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0152 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 7.360 -9.714 -2.709 1.00 34.31 N ATOM 2 CA ARG A 1 7.905 -10.780 -1.877 1.00 51.10 C ATOM 3 C ARG A 1 8.516 -11.882 -2.737 1.00 72.13 C ATOM 4 O ARG A 1 9.705 -12.188 -2.646 1.00 62.40 O ATOM 5 CB ARG A 1 6.812 -11.366 -0.980 1.00 61.03 C ATOM 6 CG ARG A 1 7.003 -12.842 -0.673 1.00 74.21 C ATOM 7 CD ARG A 1 8.192 -13.071 0.248 1.00 75.12 C ATOM 8 NE ARG A 1 9.425 -13.299 -0.499 1.00 23.14 N ATOM 9 CZ ARG A 1 10.637 -13.069 -0.004 1.00 14.31 C ATOM 10 NH1 ARG A 1 10.775 -12.607 1.232 1.00 72.12 N ATOM 11 NH2 ARG A 1 11.713 -13.302 -0.745 1.00 11.23 N ATOM 0 H1 ARG A 1 7.851 -8.822 -2.496 1.00 34.31 H new ATOM 0 H2 ARG A 1 7.495 -9.953 -3.712 1.00 34.31 H new ATOM 0 H3 ARG A 1 6.344 -9.606 -2.513 1.00 34.31 H new ATOM 0 HA ARG A 1 8.689 -10.353 -1.252 1.00 51.10 H new ATOM 0 HB2 ARG A 1 6.785 -10.809 -0.043 1.00 61.03 H new ATOM 0 HB3 ARG A 1 5.844 -11.226 -1.462 1.00 61.03 H new ATOM 0 HG2 ARG A 1 6.100 -13.238 -0.208 1.00 74.21 H new ATOM 0 HG3 ARG A 1 7.150 -13.392 -1.603 1.00 74.21 H new ATOM 0 HD2 ARG A 1 8.318 -12.207 0.900 1.00 75.12 H new ATOM 0 HD3 ARG A 1 7.993 -13.929 0.891 1.00 75.12 H new ATOM 0 HE ARG A 1 9.353 -13.654 -1.452 1.00 23.14 H new ATOM 0 HH11 ARG A 1 9.950 -12.428 1.804 1.00 72.12 H new ATOM 0 HH12 ARG A 1 11.706 -12.431 1.610 1.00 72.12 H new ATOM 0 HH21 ARG A 1 11.610 -13.658 -1.695 1.00 11.23 H new ATOM 0 HH22 ARG A 1 12.643 -13.125 -0.364 1.00 11.23 H new ATOM 25 N PRO A 2 7.685 -12.494 -3.595 1.00 14.11 N ATOM 26 CA PRO A 2 8.121 -13.571 -4.489 1.00 14.34 C ATOM 27 C PRO A 2 9.046 -13.070 -5.591 1.00 5.42 C ATOM 28 O PRO A 2 9.212 -11.868 -5.797 1.00 71.01 O ATOM 29 CB PRO A 2 6.810 -14.090 -5.085 1.00 50.03 C ATOM 30 CG PRO A 2 5.872 -12.934 -5.001 1.00 22.31 C ATOM 31 CD PRO A 2 6.255 -12.181 -3.758 1.00 15.34 C ATOM 0 HA PRO A 2 8.695 -14.332 -3.961 1.00 14.34 H new ATOM 0 HB2 PRO A 2 6.946 -14.416 -6.116 1.00 50.03 H new ATOM 0 HB3 PRO A 2 6.433 -14.947 -4.527 1.00 50.03 H new ATOM 0 HG2 PRO A 2 5.955 -12.299 -5.883 1.00 22.31 H new ATOM 0 HG3 PRO A 2 4.838 -13.274 -4.949 1.00 22.31 H new ATOM 0 HD2 PRO A 2 6.089 -11.110 -3.870 1.00 15.34 H new ATOM 0 HD3 PRO A 2 5.672 -12.506 -2.896 1.00 15.34 H new ATOM 39 N PRO A 3 9.665 -14.011 -6.318 1.00 24.41 N ATOM 40 CA PRO A 3 10.584 -13.689 -7.414 1.00 45.32 C ATOM 41 C PRO A 3 9.865 -13.094 -8.618 1.00 41.42 C ATOM 42 O PRO A 3 10.493 -12.744 -9.618 1.00 20.54 O ATOM 43 CB PRO A 3 11.198 -15.045 -7.773 1.00 71.33 C ATOM 44 CG PRO A 3 10.182 -16.046 -7.344 1.00 74.53 C ATOM 45 CD PRO A 3 9.515 -15.465 -6.127 1.00 52.54 C ATOM 0 HA PRO A 3 11.318 -12.938 -7.122 1.00 45.32 H new ATOM 0 HB2 PRO A 3 11.399 -15.118 -8.842 1.00 71.33 H new ATOM 0 HB3 PRO A 3 12.147 -15.199 -7.259 1.00 71.33 H new ATOM 0 HG2 PRO A 3 9.456 -16.229 -8.136 1.00 74.53 H new ATOM 0 HG3 PRO A 3 10.650 -17.003 -7.113 1.00 74.53 H new ATOM 0 HD2 PRO A 3 8.466 -15.756 -6.066 1.00 52.54 H new ATOM 0 HD3 PRO A 3 9.994 -15.801 -5.207 1.00 52.54 H new ATOM 53 N GLN A 4 8.545 -12.979 -8.516 1.00 62.24 N ATOM 54 CA GLN A 4 7.740 -12.426 -9.598 1.00 61.22 C ATOM 55 C GLN A 4 7.233 -11.032 -9.243 1.00 31.12 C ATOM 56 O GLN A 4 6.538 -10.393 -10.031 1.00 35.42 O ATOM 57 CB GLN A 4 6.558 -13.347 -9.908 1.00 5.51 C ATOM 58 CG GLN A 4 6.974 -14.738 -10.359 1.00 10.34 C ATOM 59 CD GLN A 4 5.942 -15.795 -10.017 1.00 41.20 C ATOM 60 OE1 GLN A 4 5.001 -16.028 -10.775 1.00 73.12 O ATOM 61 NE2 GLN A 4 6.114 -16.442 -8.869 1.00 53.34 N ATOM 0 H GLN A 4 8.010 -13.262 -7.695 1.00 62.24 H new ATOM 0 HA GLN A 4 8.373 -12.349 -10.482 1.00 61.22 H new ATOM 0 HB2 GLN A 4 5.933 -13.434 -9.019 1.00 5.51 H new ATOM 0 HB3 GLN A 4 5.946 -12.890 -10.685 1.00 5.51 H new ATOM 0 HG2 GLN A 4 7.139 -14.732 -11.436 1.00 10.34 H new ATOM 0 HG3 GLN A 4 7.924 -14.998 -9.892 1.00 10.34 H new ATOM 0 HE21 GLN A 4 6.909 -16.217 -8.271 1.00 53.34 H new ATOM 0 HE22 GLN A 4 5.451 -17.164 -8.586 1.00 53.34 H new ATOM 70 N PHE A 5 7.587 -10.566 -8.049 1.00 62.23 N ATOM 71 CA PHE A 5 7.166 -9.248 -7.587 1.00 5.12 C ATOM 72 C PHE A 5 8.256 -8.596 -6.741 1.00 71.22 C ATOM 73 O PHE A 5 8.768 -9.196 -5.796 1.00 30.11 O ATOM 74 CB PHE A 5 5.872 -9.357 -6.778 1.00 44.42 C ATOM 75 CG PHE A 5 4.730 -9.949 -7.551 1.00 61.54 C ATOM 76 CD1 PHE A 5 4.457 -9.527 -8.842 1.00 24.40 C ATOM 77 CD2 PHE A 5 3.928 -10.928 -6.987 1.00 73.43 C ATOM 78 CE1 PHE A 5 3.406 -10.070 -9.556 1.00 20.24 C ATOM 79 CE2 PHE A 5 2.875 -11.474 -7.696 1.00 73.40 C ATOM 80 CZ PHE A 5 2.614 -11.045 -8.982 1.00 63.53 C ATOM 0 H PHE A 5 8.164 -11.081 -7.384 1.00 62.23 H new ATOM 0 HA PHE A 5 6.987 -8.623 -8.462 1.00 5.12 H new ATOM 0 HB2 PHE A 5 6.056 -9.967 -5.894 1.00 44.42 H new ATOM 0 HB3 PHE A 5 5.587 -8.365 -6.428 1.00 44.42 H new ATOM 0 HD1 PHE A 5 5.073 -8.765 -9.296 1.00 24.40 H new ATOM 0 HD2 PHE A 5 4.128 -11.268 -5.982 1.00 73.43 H new ATOM 0 HE1 PHE A 5 3.204 -9.732 -10.562 1.00 20.24 H new ATOM 0 HE2 PHE A 5 2.257 -12.236 -7.244 1.00 73.40 H new ATOM 0 HZ PHE A 5 1.792 -11.471 -9.538 1.00 63.53 H new ATOM 90 N THR A 6 8.608 -7.362 -7.089 1.00 14.15 N ATOM 91 CA THR A 6 9.636 -6.627 -6.365 1.00 4.15 C ATOM 92 C THR A 6 9.114 -6.128 -5.022 1.00 74.30 C ATOM 93 O THR A 6 7.996 -6.454 -4.620 1.00 62.25 O ATOM 94 CB THR A 6 10.149 -5.425 -7.181 1.00 21.23 C ATOM 95 OG1 THR A 6 9.117 -4.948 -8.051 1.00 0.13 O ATOM 96 CG2 THR A 6 11.371 -5.811 -8.000 1.00 4.51 C ATOM 0 H THR A 6 8.195 -6.851 -7.869 1.00 14.15 H new ATOM 0 HA THR A 6 10.460 -7.321 -6.197 1.00 4.15 H new ATOM 0 HB THR A 6 10.431 -4.635 -6.486 1.00 21.23 H new ATOM 0 HG1 THR A 6 9.443 -4.945 -8.975 1.00 0.13 H new ATOM 0 HG21 THR A 6 11.716 -4.947 -8.568 1.00 4.51 H new ATOM 0 HG22 THR A 6 12.165 -6.147 -7.333 1.00 4.51 H new ATOM 0 HG23 THR A 6 11.109 -6.616 -8.687 1.00 4.51 H new ATOM 104 N ARG A 7 9.928 -5.337 -4.331 1.00 70.55 N ATOM 105 CA ARG A 7 9.548 -4.794 -3.034 1.00 31.23 C ATOM 106 C ARG A 7 8.534 -3.664 -3.192 1.00 74.42 C ATOM 107 O ARG A 7 7.644 -3.495 -2.360 1.00 51.41 O ATOM 108 CB ARG A 7 10.783 -4.284 -2.288 1.00 34.52 C ATOM 109 CG ARG A 7 11.665 -5.395 -1.742 1.00 11.32 C ATOM 110 CD ARG A 7 12.693 -5.845 -2.767 1.00 70.14 C ATOM 111 NE ARG A 7 13.616 -6.835 -2.219 1.00 20.44 N ATOM 112 CZ ARG A 7 14.800 -7.111 -2.752 1.00 42.24 C ATOM 113 NH1 ARG A 7 15.205 -6.472 -3.843 1.00 32.12 N ATOM 114 NH2 ARG A 7 15.585 -8.025 -2.196 1.00 20.10 N ATOM 0 H ARG A 7 10.856 -5.058 -4.649 1.00 70.55 H new ATOM 0 HA ARG A 7 9.087 -5.594 -2.455 1.00 31.23 H new ATOM 0 HB2 ARG A 7 11.372 -3.661 -2.961 1.00 34.52 H new ATOM 0 HB3 ARG A 7 10.462 -3.648 -1.463 1.00 34.52 H new ATOM 0 HG2 ARG A 7 12.174 -5.048 -0.843 1.00 11.32 H new ATOM 0 HG3 ARG A 7 11.045 -6.243 -1.450 1.00 11.32 H new ATOM 0 HD2 ARG A 7 12.181 -6.266 -3.632 1.00 70.14 H new ATOM 0 HD3 ARG A 7 13.256 -4.981 -3.119 1.00 70.14 H new ATOM 0 HE ARG A 7 13.335 -7.343 -1.380 1.00 20.44 H new ATOM 0 HH11 ARG A 7 14.606 -5.767 -4.273 1.00 32.12 H new ATOM 0 HH12 ARG A 7 16.115 -6.686 -4.251 1.00 32.12 H new ATOM 0 HH21 ARG A 7 15.279 -8.518 -1.357 1.00 20.10 H new ATOM 0 HH22 ARG A 7 16.494 -8.235 -2.608 1.00 20.10 H new ATOM 128 N ALA A 8 8.677 -2.895 -4.267 1.00 32.41 N ATOM 129 CA ALA A 8 7.773 -1.784 -4.536 1.00 3.35 C ATOM 130 C ALA A 8 6.568 -2.240 -5.350 1.00 75.22 C ATOM 131 O ALA A 8 5.431 -2.178 -4.882 1.00 25.21 O ATOM 132 CB ALA A 8 8.511 -0.667 -5.261 1.00 24.25 C ATOM 0 H ALA A 8 9.410 -3.021 -4.965 1.00 32.41 H new ATOM 0 HA ALA A 8 7.409 -1.405 -3.581 1.00 3.35 H new ATOM 0 HB1 ALA A 8 7.824 0.156 -5.456 1.00 24.25 H new ATOM 0 HB2 ALA A 8 9.335 -0.313 -4.641 1.00 24.25 H new ATOM 0 HB3 ALA A 8 8.903 -1.043 -6.206 1.00 24.25 H new ATOM 138 N GLN A 9 6.825 -2.697 -6.572 1.00 35.43 N ATOM 139 CA GLN A 9 5.758 -3.163 -7.452 1.00 43.32 C ATOM 140 C GLN A 9 4.785 -4.063 -6.699 1.00 62.20 C ATOM 141 O GLN A 9 3.610 -4.159 -7.056 1.00 4.20 O ATOM 142 CB GLN A 9 6.347 -3.914 -8.648 1.00 13.34 C ATOM 143 CG GLN A 9 6.449 -5.415 -8.432 1.00 60.53 C ATOM 144 CD GLN A 9 5.174 -6.146 -8.804 1.00 11.23 C ATOM 145 OE1 GLN A 9 4.519 -6.736 -7.811 1.00 25.14 O flip ATOM 146 NE2 GLN A 9 4.782 -6.181 -9.971 1.00 51.41 N flip ATOM 0 H GLN A 9 7.760 -2.755 -6.975 1.00 35.43 H new ATOM 0 HA GLN A 9 5.212 -2.292 -7.813 1.00 43.32 H new ATOM 0 HB2 GLN A 9 5.731 -3.723 -9.526 1.00 13.34 H new ATOM 0 HB3 GLN A 9 7.339 -3.518 -8.863 1.00 13.34 H new ATOM 0 HG2 GLN A 9 7.275 -5.808 -9.025 1.00 60.53 H new ATOM 0 HG3 GLN A 9 6.685 -5.613 -7.386 1.00 60.53 H new ATOM 0 HE21 GLN A 9 5.317 -5.713 -10.703 1.00 51.41 H new ATOM 0 HE22 GLN A 9 3.922 -6.678 -10.206 1.00 51.41 H new ATOM 155 N TRP A 10 5.281 -4.721 -5.658 1.00 65.32 N ATOM 156 CA TRP A 10 4.456 -5.616 -4.855 1.00 54.02 C ATOM 157 C TRP A 10 3.701 -4.842 -3.779 1.00 50.10 C ATOM 158 O TRP A 10 2.609 -5.233 -3.370 1.00 33.50 O ATOM 159 CB TRP A 10 5.320 -6.700 -4.209 1.00 42.12 C ATOM 160 CG TRP A 10 4.521 -7.820 -3.614 1.00 24.15 C ATOM 161 CD1 TRP A 10 4.625 -8.316 -2.346 1.00 15.34 C ATOM 162 CD2 TRP A 10 3.500 -8.584 -4.263 1.00 62.23 C ATOM 163 NE1 TRP A 10 3.729 -9.342 -2.168 1.00 22.24 N ATOM 164 CE2 TRP A 10 3.026 -9.526 -3.330 1.00 5.12 C ATOM 165 CE3 TRP A 10 2.938 -8.563 -5.543 1.00 15.13 C ATOM 166 CZ2 TRP A 10 2.019 -10.437 -3.637 1.00 44.02 C ATOM 167 CZ3 TRP A 10 1.939 -9.468 -5.847 1.00 15.31 C ATOM 168 CH2 TRP A 10 1.487 -10.393 -4.897 1.00 25.54 C ATOM 0 H TRP A 10 6.251 -4.652 -5.350 1.00 65.32 H new ATOM 0 HA TRP A 10 3.728 -6.088 -5.515 1.00 54.02 H new ATOM 0 HB2 TRP A 10 6.000 -7.106 -4.957 1.00 42.12 H new ATOM 0 HB3 TRP A 10 5.935 -6.248 -3.431 1.00 42.12 H new ATOM 0 HD1 TRP A 10 5.311 -7.955 -1.594 1.00 15.34 H new ATOM 0 HE1 TRP A 10 3.607 -9.880 -1.310 1.00 22.24 H new ATOM 0 HE3 TRP A 10 3.279 -7.852 -6.281 1.00 15.13 H new ATOM 0 HZ2 TRP A 10 1.670 -11.153 -2.907 1.00 44.02 H new ATOM 0 HZ3 TRP A 10 1.499 -9.462 -6.833 1.00 15.31 H new ATOM 0 HH2 TRP A 10 0.703 -11.086 -5.164 1.00 25.54 H new ATOM 179 N PHE A 11 4.292 -3.741 -3.325 1.00 72.33 N ATOM 180 CA PHE A 11 3.675 -2.911 -2.297 1.00 31.22 C ATOM 181 C PHE A 11 2.352 -2.330 -2.787 1.00 2.33 C ATOM 182 O PHE A 11 1.333 -2.415 -2.103 1.00 21.12 O ATOM 183 CB PHE A 11 4.621 -1.782 -1.887 1.00 45.34 C ATOM 184 CG PHE A 11 3.912 -0.552 -1.398 1.00 15.33 C ATOM 185 CD1 PHE A 11 3.357 0.347 -2.294 1.00 43.30 C ATOM 186 CD2 PHE A 11 3.798 -0.296 -0.041 1.00 21.11 C ATOM 187 CE1 PHE A 11 2.704 1.480 -1.846 1.00 71.42 C ATOM 188 CE2 PHE A 11 3.145 0.835 0.413 1.00 40.11 C ATOM 189 CZ PHE A 11 2.596 1.723 -0.491 1.00 63.14 C ATOM 0 H PHE A 11 5.197 -3.403 -3.653 1.00 72.33 H new ATOM 0 HA PHE A 11 3.475 -3.540 -1.430 1.00 31.22 H new ATOM 0 HB2 PHE A 11 5.287 -2.143 -1.103 1.00 45.34 H new ATOM 0 HB3 PHE A 11 5.247 -1.516 -2.739 1.00 45.34 H new ATOM 0 HD1 PHE A 11 3.435 0.161 -3.355 1.00 43.30 H new ATOM 0 HD2 PHE A 11 4.224 -0.988 0.670 1.00 21.11 H new ATOM 0 HE1 PHE A 11 2.279 2.175 -2.555 1.00 71.42 H new ATOM 0 HE2 PHE A 11 3.064 1.024 1.473 1.00 40.11 H new ATOM 0 HZ PHE A 11 2.083 2.606 -0.139 1.00 63.14 H new ATOM 199 N ALA A 12 2.379 -1.738 -3.977 1.00 51.30 N ATOM 200 CA ALA A 12 1.183 -1.142 -4.560 1.00 61.21 C ATOM 201 C ALA A 12 0.152 -2.211 -4.909 1.00 4.43 C ATOM 202 O ALA A 12 -1.053 -1.955 -4.888 1.00 45.13 O ATOM 203 CB ALA A 12 1.545 -0.333 -5.796 1.00 10.20 C ATOM 0 H ALA A 12 3.215 -1.658 -4.556 1.00 51.30 H new ATOM 0 HA ALA A 12 0.741 -0.475 -3.819 1.00 61.21 H new ATOM 0 HB1 ALA A 12 0.642 0.106 -6.221 1.00 10.20 H new ATOM 0 HB2 ALA A 12 2.240 0.461 -5.521 1.00 10.20 H new ATOM 0 HB3 ALA A 12 2.013 -0.985 -6.534 1.00 10.20 H new ATOM 209 N ILE A 13 0.632 -3.407 -5.228 1.00 63.25 N ATOM 210 CA ILE A 13 -0.248 -4.514 -5.581 1.00 1.14 C ATOM 211 C ILE A 13 -1.347 -4.695 -4.540 1.00 12.34 C ATOM 212 O ILE A 13 -2.503 -4.947 -4.881 1.00 70.11 O ATOM 213 CB ILE A 13 0.534 -5.833 -5.720 1.00 24.25 C ATOM 214 CG1 ILE A 13 1.083 -5.979 -7.141 1.00 11.13 C ATOM 215 CG2 ILE A 13 -0.355 -7.016 -5.366 1.00 10.13 C ATOM 216 CD1 ILE A 13 0.167 -6.748 -8.067 1.00 31.45 C ATOM 0 H ILE A 13 1.626 -3.635 -5.249 1.00 63.25 H new ATOM 0 HA ILE A 13 -0.698 -4.265 -6.542 1.00 1.14 H new ATOM 0 HB ILE A 13 1.374 -5.814 -5.026 1.00 24.25 H new ATOM 0 HG12 ILE A 13 1.258 -4.987 -7.558 1.00 11.13 H new ATOM 0 HG13 ILE A 13 2.049 -6.482 -7.099 1.00 11.13 H new ATOM 0 HG21 ILE A 13 0.212 -7.941 -5.469 1.00 10.13 H new ATOM 0 HG22 ILE A 13 -0.702 -6.916 -4.337 1.00 10.13 H new ATOM 0 HG23 ILE A 13 -1.213 -7.040 -6.037 1.00 10.13 H new ATOM 0 HD11 ILE A 13 0.620 -6.812 -9.056 1.00 31.45 H new ATOM 0 HD12 ILE A 13 0.011 -7.752 -7.673 1.00 31.45 H new ATOM 0 HD13 ILE A 13 -0.792 -6.234 -8.140 1.00 31.45 H new ATOM 228 N GLN A 14 -0.980 -4.563 -3.269 1.00 62.24 N ATOM 229 CA GLN A 14 -1.936 -4.711 -2.178 1.00 43.11 C ATOM 230 C GLN A 14 -2.324 -3.351 -1.607 1.00 31.50 C ATOM 231 O GLN A 14 -3.449 -3.159 -1.144 1.00 20.33 O ATOM 232 CB GLN A 14 -1.348 -5.592 -1.074 1.00 70.20 C ATOM 233 CG GLN A 14 -0.615 -4.810 0.003 1.00 2.42 C ATOM 234 CD GLN A 14 0.516 -5.600 0.630 1.00 43.11 C ATOM 235 OE1 GLN A 14 0.532 -5.832 1.840 1.00 73.31 O ATOM 236 NE2 GLN A 14 1.473 -6.020 -0.190 1.00 53.54 N ATOM 0 H GLN A 14 -0.028 -4.354 -2.970 1.00 62.24 H new ATOM 0 HA GLN A 14 -2.833 -5.187 -2.575 1.00 43.11 H new ATOM 0 HB2 GLN A 14 -2.152 -6.165 -0.612 1.00 70.20 H new ATOM 0 HB3 GLN A 14 -0.661 -6.310 -1.521 1.00 70.20 H new ATOM 0 HG2 GLN A 14 -0.216 -3.892 -0.428 1.00 2.42 H new ATOM 0 HG3 GLN A 14 -1.322 -4.517 0.779 1.00 2.42 H new ATOM 0 HE21 GLN A 14 1.421 -5.806 -1.186 1.00 53.54 H new ATOM 0 HE22 GLN A 14 2.259 -6.556 0.176 1.00 53.54 H new ATOM 245 N HIS A 15 -1.386 -2.410 -1.644 1.00 14.21 N ATOM 246 CA HIS A 15 -1.632 -1.067 -1.130 1.00 15.30 C ATOM 247 C HIS A 15 -2.152 -0.149 -2.233 1.00 21.04 C ATOM 248 O HIS A 15 -2.358 1.045 -2.013 1.00 34.40 O ATOM 249 CB HIS A 15 -0.351 -0.486 -0.529 1.00 11.52 C ATOM 250 CG HIS A 15 0.024 -1.097 0.786 1.00 41.42 C ATOM 251 ND1 HIS A 15 1.183 -1.659 1.202 1.00 51.31 N flip ATOM 252 CD2 HIS A 15 -0.845 -1.178 1.854 1.00 53.01 C flip ATOM 253 CE1 HIS A 15 0.996 -2.065 2.500 1.00 13.14 C flip ATOM 254 NE2 HIS A 15 -0.236 -1.762 2.870 1.00 12.44 N flip ATOM 0 H HIS A 15 -0.450 -2.552 -2.024 1.00 14.21 H new ATOM 0 HA HIS A 15 -2.392 -1.136 -0.351 1.00 15.30 H new ATOM 0 HB2 HIS A 15 0.468 -0.629 -1.234 1.00 11.52 H new ATOM 0 HB3 HIS A 15 -0.476 0.589 -0.399 1.00 11.52 H new ATOM 0 HD1 HIS A 15 2.037 -1.762 0.653 1.00 51.31 H new ATOM 0 HD2 HIS A 15 -1.864 -0.820 1.859 1.00 53.01 H new ATOM 0 HE1 HIS A 15 1.735 -2.553 3.118 1.00 13.14 H new ATOM 263 N ILE A 16 -2.362 -0.716 -3.416 1.00 43.41 N ATOM 264 CA ILE A 16 -2.857 0.051 -4.552 1.00 13.41 C ATOM 265 C ILE A 16 -3.860 -0.759 -5.366 1.00 74.15 C ATOM 266 O ILE A 16 -3.574 -1.881 -5.784 1.00 53.43 O ATOM 267 CB ILE A 16 -1.708 0.500 -5.473 1.00 50.33 C ATOM 268 CG1 ILE A 16 -1.663 2.027 -5.562 1.00 52.24 C ATOM 269 CG2 ILE A 16 -1.868 -0.112 -6.857 1.00 12.54 C ATOM 270 CD1 ILE A 16 -0.445 2.555 -6.286 1.00 5.44 C ATOM 0 H ILE A 16 -2.197 -1.703 -3.613 1.00 43.41 H new ATOM 0 HA ILE A 16 -3.351 0.934 -4.146 1.00 13.41 H new ATOM 0 HB ILE A 16 -0.766 0.152 -5.050 1.00 50.33 H new ATOM 0 HG12 ILE A 16 -2.560 2.380 -6.072 1.00 52.24 H new ATOM 0 HG13 ILE A 16 -1.685 2.442 -4.554 1.00 52.24 H new ATOM 0 HG21 ILE A 16 -1.048 0.215 -7.496 1.00 12.54 H new ATOM 0 HG22 ILE A 16 -1.855 -1.199 -6.778 1.00 12.54 H new ATOM 0 HG23 ILE A 16 -2.816 0.209 -7.290 1.00 12.54 H new ATOM 0 HD11 ILE A 16 -0.480 3.644 -6.311 1.00 5.44 H new ATOM 0 HD12 ILE A 16 0.456 2.233 -5.765 1.00 5.44 H new ATOM 0 HD13 ILE A 16 -0.432 2.169 -7.305 1.00 5.44 H new ATOM 282 N SER A 17 -5.037 -0.181 -5.590 1.00 70.11 N ATOM 283 CA SER A 17 -6.083 -0.851 -6.354 1.00 11.12 C ATOM 284 C SER A 17 -7.215 0.117 -6.687 1.00 73.33 C ATOM 285 O SER A 17 -7.912 0.607 -5.798 1.00 22.10 O ATOM 286 CB SER A 17 -6.632 -2.044 -5.569 1.00 33.00 C ATOM 287 OG SER A 17 -5.674 -3.085 -5.488 1.00 10.45 O ATOM 0 H SER A 17 -5.289 0.748 -5.254 1.00 70.11 H new ATOM 0 HA SER A 17 -5.646 -1.209 -7.287 1.00 11.12 H new ATOM 0 HB2 SER A 17 -6.913 -1.725 -4.565 1.00 33.00 H new ATOM 0 HB3 SER A 17 -7.537 -2.415 -6.050 1.00 33.00 H new ATOM 0 HG SER A 17 -5.740 -3.523 -4.614 1.00 10.45 H new ATOM 293 N LEU A 18 -7.393 0.388 -7.975 1.00 64.24 N ATOM 294 CA LEU A 18 -8.440 1.296 -8.430 1.00 3.43 C ATOM 295 C LEU A 18 -9.822 0.708 -8.167 1.00 52.45 C ATOM 296 O LEU A 18 -10.670 1.345 -7.544 1.00 50.00 O ATOM 297 CB LEU A 18 -8.273 1.594 -9.921 1.00 61.53 C ATOM 298 CG LEU A 18 -6.842 1.554 -10.457 1.00 61.12 C ATOM 299 CD1 LEU A 18 -6.789 2.096 -11.877 1.00 62.34 C ATOM 300 CD2 LEU A 18 -5.910 2.343 -9.549 1.00 4.31 C ATOM 0 H LEU A 18 -6.825 -0.009 -8.724 1.00 64.24 H new ATOM 0 HA LEU A 18 -8.349 2.226 -7.869 1.00 3.43 H new ATOM 0 HB2 LEU A 18 -8.871 0.877 -10.484 1.00 61.53 H new ATOM 0 HB3 LEU A 18 -8.688 2.582 -10.122 1.00 61.53 H new ATOM 0 HG LEU A 18 -6.509 0.516 -10.473 1.00 61.12 H new ATOM 0 HD11 LEU A 18 -5.763 2.060 -12.242 1.00 62.34 H new ATOM 0 HD12 LEU A 18 -7.425 1.490 -12.522 1.00 62.34 H new ATOM 0 HD13 LEU A 18 -7.141 3.127 -11.886 1.00 62.34 H new ATOM 0 HD21 LEU A 18 -4.896 2.304 -9.946 1.00 4.31 H new ATOM 0 HD22 LEU A 18 -6.241 3.380 -9.501 1.00 4.31 H new ATOM 0 HD23 LEU A 18 -5.925 1.911 -8.548 1.00 4.31 H new ATOM 312 N ASN A 19 -10.041 -0.512 -8.648 1.00 14.24 N ATOM 313 CA ASN A 19 -11.321 -1.187 -8.463 1.00 45.44 C ATOM 314 C ASN A 19 -11.127 -2.550 -7.806 1.00 1.13 C ATOM 315 O ASN A 19 -11.401 -3.595 -8.395 1.00 1.01 O ATOM 316 CB ASN A 19 -12.031 -1.353 -9.808 1.00 64.34 C ATOM 317 CG ASN A 19 -11.060 -1.582 -10.950 1.00 52.05 C ATOM 318 OD1 ASN A 19 -10.520 -0.497 -11.493 1.00 34.00 O flip ATOM 319 ND2 ASN A 19 -10.799 -2.720 -11.340 1.00 50.24 N flip ATOM 0 H ASN A 19 -9.350 -1.053 -9.168 1.00 14.24 H new ATOM 0 HA ASN A 19 -11.937 -0.572 -7.807 1.00 45.44 H new ATOM 0 HB2 ASN A 19 -12.723 -2.193 -9.749 1.00 64.34 H new ATOM 0 HB3 ASN A 19 -12.626 -0.463 -10.014 1.00 64.34 H new ATOM 0 HD21 ASN A 19 -11.237 -3.525 -10.893 1.00 50.24 H new ATOM 0 HD22 ASN A 19 -10.144 -2.858 -12.110 1.00 50.24 H new ATOM 326 N PRO A 20 -10.644 -2.540 -6.554 1.00 54.33 N ATOM 327 CA PRO A 20 -10.404 -3.766 -5.788 1.00 73.43 C ATOM 328 C PRO A 20 -11.700 -4.462 -5.388 1.00 31.14 C ATOM 329 O PRO A 20 -12.638 -3.840 -4.888 1.00 74.03 O ATOM 330 CB PRO A 20 -9.658 -3.270 -4.548 1.00 12.31 C ATOM 331 CG PRO A 20 -10.079 -1.849 -4.396 1.00 62.32 C ATOM 332 CD PRO A 20 -10.295 -1.330 -5.791 1.00 14.24 C ATOM 0 HA PRO A 20 -9.851 -4.506 -6.366 1.00 73.43 H new ATOM 0 HB2 PRO A 20 -9.920 -3.857 -3.667 1.00 12.31 H new ATOM 0 HB3 PRO A 20 -8.579 -3.352 -4.676 1.00 12.31 H new ATOM 0 HG2 PRO A 20 -10.992 -1.773 -3.806 1.00 62.32 H new ATOM 0 HG3 PRO A 20 -9.315 -1.269 -3.878 1.00 62.32 H new ATOM 0 HD2 PRO A 20 -11.094 -0.589 -5.825 1.00 14.24 H new ATOM 0 HD3 PRO A 20 -9.399 -0.851 -6.185 1.00 14.24 H new ATOM 340 N PRO A 21 -11.757 -5.784 -5.609 1.00 2.33 N ATOM 341 CA PRO A 21 -12.933 -6.593 -5.276 1.00 1.32 C ATOM 342 C PRO A 21 -13.130 -6.737 -3.771 1.00 15.32 C ATOM 343 O PRO A 21 -12.581 -5.964 -2.986 1.00 71.44 O ATOM 344 CB PRO A 21 -12.619 -7.951 -5.907 1.00 31.31 C ATOM 345 CG PRO A 21 -11.132 -8.005 -5.970 1.00 31.02 C ATOM 346 CD PRO A 21 -10.676 -6.590 -6.200 1.00 32.42 C ATOM 0 HA PRO A 21 -13.855 -6.141 -5.641 1.00 1.32 H new ATOM 0 HB2 PRO A 21 -13.020 -8.768 -5.307 1.00 31.31 H new ATOM 0 HB3 PRO A 21 -13.061 -8.038 -6.900 1.00 31.31 H new ATOM 0 HG2 PRO A 21 -10.716 -8.403 -5.045 1.00 31.02 H new ATOM 0 HG3 PRO A 21 -10.799 -8.658 -6.776 1.00 31.02 H new ATOM 0 HD2 PRO A 21 -9.718 -6.393 -5.718 1.00 32.42 H new ATOM 0 HD3 PRO A 21 -10.549 -6.376 -7.261 1.00 32.42 H new ATOM 354 N ARG A 22 -13.918 -7.731 -3.374 1.00 70.45 N ATOM 355 CA ARG A 22 -14.189 -7.976 -1.964 1.00 4.55 C ATOM 356 C ARG A 22 -12.910 -8.354 -1.222 1.00 43.21 C ATOM 357 O ARG A 22 -12.288 -9.376 -1.515 1.00 63.33 O ATOM 358 CB ARG A 22 -15.229 -9.087 -1.806 1.00 4.41 C ATOM 359 CG ARG A 22 -16.599 -8.719 -2.352 1.00 32.41 C ATOM 360 CD ARG A 22 -17.428 -7.971 -1.319 1.00 42.23 C ATOM 361 NE ARG A 22 -17.714 -8.793 -0.147 1.00 54.45 N ATOM 362 CZ ARG A 22 -18.688 -8.527 0.716 1.00 52.10 C ATOM 363 NH1 ARG A 22 -19.465 -7.467 0.539 1.00 60.14 N ATOM 364 NH2 ARG A 22 -18.887 -9.323 1.760 1.00 52.22 N ATOM 0 H ARG A 22 -14.380 -8.380 -4.011 1.00 70.45 H new ATOM 0 HA ARG A 22 -14.582 -7.056 -1.532 1.00 4.55 H new ATOM 0 HB2 ARG A 22 -14.872 -9.982 -2.315 1.00 4.41 H new ATOM 0 HB3 ARG A 22 -15.323 -9.338 -0.749 1.00 4.41 H new ATOM 0 HG2 ARG A 22 -16.483 -8.102 -3.243 1.00 32.41 H new ATOM 0 HG3 ARG A 22 -17.125 -9.623 -2.657 1.00 32.41 H new ATOM 0 HD2 ARG A 22 -16.896 -7.071 -1.010 1.00 42.23 H new ATOM 0 HD3 ARG A 22 -18.365 -7.647 -1.772 1.00 42.23 H new ATOM 0 HE ARG A 22 -17.135 -9.616 0.018 1.00 54.45 H new ATOM 0 HH11 ARG A 22 -19.316 -6.853 -0.262 1.00 60.14 H new ATOM 0 HH12 ARG A 22 -20.212 -7.266 1.204 1.00 60.14 H new ATOM 0 HH21 ARG A 22 -18.292 -10.139 1.900 1.00 52.22 H new ATOM 0 HH22 ARG A 22 -19.635 -9.118 2.422 1.00 52.22 H new ATOM 378 N CYS A 23 -12.521 -7.523 -0.261 1.00 32.21 N ATOM 379 CA CYS A 23 -11.316 -7.768 0.522 1.00 40.40 C ATOM 380 C CYS A 23 -11.095 -9.264 0.727 1.00 64.31 C ATOM 381 O CYS A 23 -9.958 -9.733 0.794 1.00 53.43 O ATOM 382 CB CYS A 23 -11.412 -7.066 1.878 1.00 12.32 C ATOM 383 SG CYS A 23 -11.603 -5.258 1.766 1.00 13.11 S ATOM 0 H CYS A 23 -13.024 -6.673 -0.006 1.00 32.21 H new ATOM 0 HA CYS A 23 -10.467 -7.365 -0.030 1.00 40.40 H new ATOM 0 HB2 CYS A 23 -12.258 -7.477 2.429 1.00 12.32 H new ATOM 0 HB3 CYS A 23 -10.516 -7.291 2.456 1.00 12.32 H new ATOM 388 N THR A 24 -12.191 -10.011 0.824 1.00 11.40 N ATOM 389 CA THR A 24 -12.118 -11.453 1.022 1.00 53.02 C ATOM 390 C THR A 24 -11.269 -12.114 -0.058 1.00 43.24 C ATOM 391 O THR A 24 -10.307 -12.821 0.242 1.00 20.43 O ATOM 392 CB THR A 24 -13.519 -12.091 1.019 1.00 23.34 C ATOM 393 OG1 THR A 24 -14.170 -11.850 2.271 1.00 1.53 O ATOM 394 CG2 THR A 24 -13.431 -13.589 0.769 1.00 61.32 C ATOM 0 H THR A 24 -13.140 -9.641 0.769 1.00 11.40 H new ATOM 0 HA THR A 24 -11.654 -11.616 1.995 1.00 53.02 H new ATOM 0 HB THR A 24 -14.098 -11.637 0.215 1.00 23.34 H new ATOM 0 HG1 THR A 24 -15.061 -12.258 2.260 1.00 1.53 H new ATOM 0 HG21 THR A 24 -14.433 -14.018 0.771 1.00 61.32 H new ATOM 0 HG22 THR A 24 -12.961 -13.770 -0.198 1.00 61.32 H new ATOM 0 HG23 THR A 24 -12.835 -14.055 1.554 1.00 61.32 H new ATOM 402 N ILE A 25 -11.629 -11.877 -1.315 1.00 34.13 N ATOM 403 CA ILE A 25 -10.899 -12.448 -2.439 1.00 52.43 C ATOM 404 C ILE A 25 -9.803 -11.502 -2.919 1.00 61.12 C ATOM 405 O ILE A 25 -8.719 -11.938 -3.306 1.00 45.25 O ATOM 406 CB ILE A 25 -11.837 -12.767 -3.617 1.00 34.23 C ATOM 407 CG1 ILE A 25 -13.187 -13.271 -3.100 1.00 64.21 C ATOM 408 CG2 ILE A 25 -11.201 -13.796 -4.539 1.00 44.14 C ATOM 409 CD1 ILE A 25 -14.265 -13.306 -4.160 1.00 74.45 C ATOM 0 H ILE A 25 -12.422 -11.293 -1.580 1.00 34.13 H new ATOM 0 HA ILE A 25 -10.448 -13.375 -2.084 1.00 52.43 H new ATOM 0 HB ILE A 25 -12.004 -11.852 -4.186 1.00 34.23 H new ATOM 0 HG12 ILE A 25 -13.059 -14.273 -2.690 1.00 64.21 H new ATOM 0 HG13 ILE A 25 -13.515 -12.631 -2.281 1.00 64.21 H new ATOM 0 HG21 ILE A 25 -11.877 -14.010 -5.367 1.00 44.14 H new ATOM 0 HG22 ILE A 25 -10.262 -13.403 -4.930 1.00 44.14 H new ATOM 0 HG23 ILE A 25 -11.007 -14.713 -3.982 1.00 44.14 H new ATOM 0 HD11 ILE A 25 -15.194 -13.673 -3.723 1.00 74.45 H new ATOM 0 HD12 ILE A 25 -14.421 -12.302 -4.553 1.00 74.45 H new ATOM 0 HD13 ILE A 25 -13.958 -13.969 -4.969 1.00 74.45 H new ATOM 421 N ALA A 26 -10.092 -10.205 -2.890 1.00 23.41 N ATOM 422 CA ALA A 26 -9.130 -9.199 -3.318 1.00 54.33 C ATOM 423 C ALA A 26 -7.752 -9.467 -2.724 1.00 42.40 C ATOM 424 O ALA A 26 -6.741 -8.981 -3.231 1.00 20.31 O ATOM 425 CB ALA A 26 -9.613 -7.808 -2.931 1.00 21.24 C ATOM 0 H ALA A 26 -10.985 -9.827 -2.574 1.00 23.41 H new ATOM 0 HA ALA A 26 -9.045 -9.253 -4.403 1.00 54.33 H new ATOM 0 HB1 ALA A 26 -8.884 -7.066 -3.257 1.00 21.24 H new ATOM 0 HB2 ALA A 26 -10.572 -7.610 -3.410 1.00 21.24 H new ATOM 0 HB3 ALA A 26 -9.729 -7.751 -1.849 1.00 21.24 H new ATOM 431 N MET A 27 -7.720 -10.242 -1.645 1.00 10.44 N ATOM 432 CA MET A 27 -6.465 -10.575 -0.981 1.00 2.11 C ATOM 433 C MET A 27 -6.065 -12.019 -1.266 1.00 62.23 C ATOM 434 O MET A 27 -5.417 -12.668 -0.445 1.00 50.21 O ATOM 435 CB MET A 27 -6.587 -10.356 0.528 1.00 2.22 C ATOM 436 CG MET A 27 -7.325 -9.080 0.899 1.00 31.40 C ATOM 437 SD MET A 27 -6.223 -7.663 1.067 1.00 71.44 S ATOM 438 CE MET A 27 -5.452 -8.019 2.644 1.00 62.01 C ATOM 0 H MET A 27 -8.548 -10.651 -1.212 1.00 10.44 H new ATOM 0 HA MET A 27 -5.690 -9.917 -1.375 1.00 2.11 H new ATOM 0 HB2 MET A 27 -7.105 -11.207 0.970 1.00 2.22 H new ATOM 0 HB3 MET A 27 -5.589 -10.329 0.965 1.00 2.22 H new ATOM 0 HG2 MET A 27 -8.074 -8.864 0.138 1.00 31.40 H new ATOM 0 HG3 MET A 27 -7.859 -9.233 1.837 1.00 31.40 H new ATOM 0 HE1 MET A 27 -4.444 -7.606 2.657 1.00 62.01 H new ATOM 0 HE2 MET A 27 -6.039 -7.570 3.445 1.00 62.01 H new ATOM 0 HE3 MET A 27 -5.404 -9.098 2.790 1.00 62.01 H new ATOM 448 N ARG A 28 -6.457 -12.518 -2.435 1.00 14.22 N ATOM 449 CA ARG A 28 -6.141 -13.885 -2.826 1.00 62.32 C ATOM 450 C ARG A 28 -4.817 -13.942 -3.583 1.00 31.41 C ATOM 451 O ARG A 28 -3.949 -14.758 -3.275 1.00 31.54 O ATOM 452 CB ARG A 28 -7.262 -14.462 -3.694 1.00 42.23 C ATOM 453 CG ARG A 28 -7.520 -13.666 -4.963 1.00 12.41 C ATOM 454 CD ARG A 28 -6.698 -14.192 -6.128 1.00 60.54 C ATOM 455 NE ARG A 28 -6.362 -13.138 -7.082 1.00 1.34 N ATOM 456 CZ ARG A 28 -6.080 -13.365 -8.360 1.00 14.24 C ATOM 457 NH1 ARG A 28 -6.096 -14.603 -8.835 1.00 44.21 N ATOM 458 NH2 ARG A 28 -5.784 -12.353 -9.164 1.00 60.44 N ATOM 0 H ARG A 28 -6.994 -11.995 -3.127 1.00 14.22 H new ATOM 0 HA ARG A 28 -6.048 -14.483 -1.920 1.00 62.32 H new ATOM 0 HB2 ARG A 28 -7.010 -15.488 -3.963 1.00 42.23 H new ATOM 0 HB3 ARG A 28 -8.180 -14.503 -3.108 1.00 42.23 H new ATOM 0 HG2 ARG A 28 -8.580 -13.713 -5.214 1.00 12.41 H new ATOM 0 HG3 ARG A 28 -7.279 -12.617 -4.791 1.00 12.41 H new ATOM 0 HD2 ARG A 28 -5.781 -14.644 -5.750 1.00 60.54 H new ATOM 0 HD3 ARG A 28 -7.254 -14.979 -6.638 1.00 60.54 H new ATOM 0 HE ARG A 28 -6.343 -12.174 -6.748 1.00 1.34 H new ATOM 0 HH11 ARG A 28 -6.325 -15.383 -8.219 1.00 44.21 H new ATOM 0 HH12 ARG A 28 -5.879 -14.775 -9.817 1.00 44.21 H new ATOM 0 HH21 ARG A 28 -5.773 -11.400 -8.801 1.00 60.44 H new ATOM 0 HH22 ARG A 28 -5.567 -12.528 -10.145 1.00 60.44 H new ATOM 472 N ALA A 29 -4.671 -13.070 -4.574 1.00 42.44 N ATOM 473 CA ALA A 29 -3.453 -13.018 -5.374 1.00 23.43 C ATOM 474 C ALA A 29 -2.310 -12.378 -4.594 1.00 24.33 C ATOM 475 O ALA A 29 -1.142 -12.703 -4.808 1.00 45.30 O ATOM 476 CB ALA A 29 -3.702 -12.259 -6.668 1.00 71.33 C ATOM 0 H ALA A 29 -5.381 -12.389 -4.843 1.00 42.44 H new ATOM 0 HA ALA A 29 -3.164 -14.041 -5.616 1.00 23.43 H new ATOM 0 HB1 ALA A 29 -2.784 -12.229 -7.254 1.00 71.33 H new ATOM 0 HB2 ALA A 29 -4.482 -12.762 -7.240 1.00 71.33 H new ATOM 0 HB3 ALA A 29 -4.019 -11.242 -6.438 1.00 71.33 H new ATOM 482 N ILE A 30 -2.654 -11.468 -3.689 1.00 73.21 N ATOM 483 CA ILE A 30 -1.656 -10.783 -2.877 1.00 32.33 C ATOM 484 C ILE A 30 -1.113 -11.699 -1.786 1.00 4.05 C ATOM 485 O ILE A 30 0.045 -12.115 -1.831 1.00 15.23 O ATOM 486 CB ILE A 30 -2.236 -9.514 -2.225 1.00 30.24 C ATOM 487 CG1 ILE A 30 -3.108 -8.752 -3.225 1.00 64.54 C ATOM 488 CG2 ILE A 30 -1.115 -8.625 -1.708 1.00 20.43 C ATOM 489 CD1 ILE A 30 -2.605 -8.835 -4.651 1.00 4.52 C ATOM 0 H ILE A 30 -3.616 -11.188 -3.500 1.00 73.21 H new ATOM 0 HA ILE A 30 -0.844 -10.499 -3.547 1.00 32.33 H new ATOM 0 HB ILE A 30 -2.859 -9.810 -1.381 1.00 30.24 H new ATOM 0 HG12 ILE A 30 -4.124 -9.145 -3.183 1.00 64.54 H new ATOM 0 HG13 ILE A 30 -3.159 -7.705 -2.926 1.00 64.54 H new ATOM 0 HG21 ILE A 30 -1.541 -7.732 -1.250 1.00 20.43 H new ATOM 0 HG22 ILE A 30 -0.531 -9.170 -0.966 1.00 20.43 H new ATOM 0 HG23 ILE A 30 -0.469 -8.335 -2.537 1.00 20.43 H new ATOM 0 HD11 ILE A 30 -3.271 -8.272 -5.305 1.00 4.52 H new ATOM 0 HD12 ILE A 30 -1.601 -8.415 -4.708 1.00 4.52 H new ATOM 0 HD13 ILE A 30 -2.580 -9.878 -4.968 1.00 4.52 H new ATOM 501 N ASN A 31 -1.956 -12.010 -0.808 1.00 20.34 N ATOM 502 CA ASN A 31 -1.561 -12.878 0.296 1.00 63.40 C ATOM 503 C ASN A 31 -0.773 -14.082 -0.214 1.00 50.31 C ATOM 504 O ASN A 31 -0.010 -14.696 0.529 1.00 24.31 O ATOM 505 CB ASN A 31 -2.794 -13.352 1.066 1.00 34.24 C ATOM 506 CG ASN A 31 -3.273 -12.328 2.077 1.00 31.22 C ATOM 507 OD1 ASN A 31 -2.497 -11.842 2.900 1.00 61.03 O ATOM 508 ND2 ASN A 31 -4.557 -11.996 2.020 1.00 75.12 N ATOM 0 H ASN A 31 -2.918 -11.674 -0.757 1.00 20.34 H new ATOM 0 HA ASN A 31 -0.921 -12.304 0.966 1.00 63.40 H new ATOM 0 HB2 ASN A 31 -3.598 -13.567 0.362 1.00 34.24 H new ATOM 0 HB3 ASN A 31 -2.562 -14.285 1.580 1.00 34.24 H new ATOM 0 HD21 ASN A 31 -4.937 -11.313 2.675 1.00 75.12 H new ATOM 0 HD22 ASN A 31 -5.164 -12.424 1.321 1.00 75.12 H new ATOM 515 N ASN A 32 -0.964 -14.411 -1.488 1.00 54.20 N ATOM 516 CA ASN A 32 -0.273 -15.540 -2.098 1.00 64.11 C ATOM 517 C ASN A 32 1.238 -15.409 -1.928 1.00 2.40 C ATOM 518 O ASN A 32 1.983 -16.363 -2.146 1.00 63.54 O ATOM 519 CB ASN A 32 -0.623 -15.637 -3.584 1.00 64.44 C ATOM 520 CG ASN A 32 -0.559 -17.061 -4.101 1.00 32.24 C ATOM 521 OD1 ASN A 32 0.516 -17.656 -4.187 1.00 53.05 O ATOM 522 ND2 ASN A 32 -1.715 -17.616 -4.447 1.00 65.44 N ATOM 0 H ASN A 32 -1.592 -13.911 -2.117 1.00 54.20 H new ATOM 0 HA ASN A 32 -0.601 -16.449 -1.594 1.00 64.11 H new ATOM 0 HB2 ASN A 32 -1.625 -15.240 -3.745 1.00 64.44 H new ATOM 0 HB3 ASN A 32 0.063 -15.014 -4.158 1.00 64.44 H new ATOM 0 HD21 ASN A 32 -1.736 -18.573 -4.801 1.00 65.44 H new ATOM 0 HD22 ASN A 32 -2.582 -17.086 -4.359 1.00 65.44 H new ATOM 529 N TYR A 33 1.682 -14.219 -1.536 1.00 1.24 N ATOM 530 CA TYR A 33 3.104 -13.962 -1.338 1.00 14.44 C ATOM 531 C TYR A 33 3.680 -14.884 -0.268 1.00 41.41 C ATOM 532 O TYR A 33 4.875 -15.180 -0.266 1.00 44.42 O ATOM 533 CB TYR A 33 3.329 -12.501 -0.943 1.00 31.11 C ATOM 534 CG TYR A 33 2.425 -12.030 0.173 1.00 12.14 C ATOM 535 CD1 TYR A 33 2.506 -12.588 1.443 1.00 61.21 C ATOM 536 CD2 TYR A 33 1.489 -11.024 -0.041 1.00 30.51 C ATOM 537 CE1 TYR A 33 1.681 -12.161 2.465 1.00 3.35 C ATOM 538 CE2 TYR A 33 0.662 -10.590 0.976 1.00 54.25 C ATOM 539 CZ TYR A 33 0.761 -11.161 2.227 1.00 42.10 C ATOM 540 OH TYR A 33 -0.061 -10.732 3.244 1.00 72.12 O ATOM 0 H TYR A 33 1.078 -13.418 -1.349 1.00 1.24 H new ATOM 0 HA TYR A 33 3.618 -14.161 -2.278 1.00 14.44 H new ATOM 0 HB2 TYR A 33 4.367 -12.372 -0.637 1.00 31.11 H new ATOM 0 HB3 TYR A 33 3.173 -11.869 -1.817 1.00 31.11 H new ATOM 0 HD1 TYR A 33 3.227 -13.369 1.634 1.00 61.21 H new ATOM 0 HD2 TYR A 33 1.408 -10.574 -1.020 1.00 30.51 H new ATOM 0 HE1 TYR A 33 1.756 -12.608 3.445 1.00 3.35 H new ATOM 0 HE2 TYR A 33 -0.059 -9.807 0.792 1.00 54.25 H new ATOM 0 HH TYR A 33 -0.861 -11.297 3.278 1.00 72.12 H new ATOM 550 N ARG A 34 2.821 -15.336 0.641 1.00 45.24 N ATOM 551 CA ARG A 34 3.244 -16.224 1.716 1.00 44.02 C ATOM 552 C ARG A 34 2.091 -17.110 2.175 1.00 35.21 C ATOM 553 O ARG A 34 0.988 -17.040 1.633 1.00 61.44 O ATOM 554 CB ARG A 34 3.779 -15.411 2.897 1.00 20.23 C ATOM 555 CG ARG A 34 5.107 -14.729 2.616 1.00 72.33 C ATOM 556 CD ARG A 34 6.242 -15.737 2.521 1.00 50.44 C ATOM 557 NE ARG A 34 6.882 -15.963 3.813 1.00 22.13 N ATOM 558 CZ ARG A 34 6.496 -16.903 4.670 1.00 61.11 C ATOM 559 NH1 ARG A 34 5.478 -17.698 4.371 1.00 0.35 N ATOM 560 NH2 ARG A 34 7.130 -17.049 5.827 1.00 52.53 N ATOM 0 H ARG A 34 1.828 -15.101 0.654 1.00 45.24 H new ATOM 0 HA ARG A 34 4.040 -16.863 1.333 1.00 44.02 H new ATOM 0 HB2 ARG A 34 3.043 -14.655 3.170 1.00 20.23 H new ATOM 0 HB3 ARG A 34 3.894 -16.069 3.758 1.00 20.23 H new ATOM 0 HG2 ARG A 34 5.039 -14.167 1.684 1.00 72.33 H new ATOM 0 HG3 ARG A 34 5.323 -14.010 3.407 1.00 72.33 H new ATOM 0 HD2 ARG A 34 5.857 -16.682 2.137 1.00 50.44 H new ATOM 0 HD3 ARG A 34 6.984 -15.381 1.806 1.00 50.44 H new ATOM 0 HE ARG A 34 7.668 -15.367 4.073 1.00 22.13 H new ATOM 0 HH11 ARG A 34 4.990 -17.589 3.482 1.00 0.35 H new ATOM 0 HH12 ARG A 34 5.183 -18.419 5.030 1.00 0.35 H new ATOM 0 HH21 ARG A 34 7.914 -16.440 6.059 1.00 52.53 H new ATOM 0 HH22 ARG A 34 6.833 -17.771 6.484 1.00 52.53 H new ATOM 574 N TRP A 35 2.352 -17.941 3.177 1.00 62.05 N ATOM 575 CA TRP A 35 1.335 -18.842 3.708 1.00 54.30 C ATOM 576 C TRP A 35 0.619 -18.212 4.899 1.00 71.32 C ATOM 577 O TRP A 35 -0.033 -18.905 5.679 1.00 21.10 O ATOM 578 CB TRP A 35 1.967 -20.172 4.122 1.00 51.41 C ATOM 579 CG TRP A 35 2.020 -21.175 3.010 1.00 44.40 C ATOM 580 CD1 TRP A 35 1.231 -22.280 2.865 1.00 54.24 C ATOM 581 CD2 TRP A 35 2.913 -21.167 1.891 1.00 52.42 C ATOM 582 NE1 TRP A 35 1.578 -22.958 1.721 1.00 33.32 N ATOM 583 CE2 TRP A 35 2.606 -22.295 1.106 1.00 41.14 C ATOM 584 CE3 TRP A 35 3.938 -20.314 1.474 1.00 42.04 C ATOM 585 CZ2 TRP A 35 3.291 -22.592 -0.070 1.00 51.02 C ATOM 586 CZ3 TRP A 35 4.617 -20.610 0.307 1.00 63.23 C ATOM 587 CH2 TRP A 35 4.291 -21.741 -0.455 1.00 53.10 C ATOM 0 H TRP A 35 3.259 -18.010 3.638 1.00 62.05 H new ATOM 0 HA TRP A 35 0.602 -19.026 2.922 1.00 54.30 H new ATOM 0 HB2 TRP A 35 2.978 -19.988 4.485 1.00 51.41 H new ATOM 0 HB3 TRP A 35 1.401 -20.592 4.954 1.00 51.41 H new ATOM 0 HD1 TRP A 35 0.449 -22.577 3.549 1.00 54.24 H new ATOM 0 HE1 TRP A 35 1.141 -23.816 1.385 1.00 33.32 H new ATOM 0 HE3 TRP A 35 4.195 -19.439 2.053 1.00 42.04 H new ATOM 0 HZ2 TRP A 35 3.042 -23.463 -0.657 1.00 51.02 H new ATOM 0 HZ3 TRP A 35 5.413 -19.959 -0.024 1.00 63.23 H new ATOM 0 HH2 TRP A 35 4.839 -21.944 -1.363 1.00 53.10 H new ATOM 598 N ARG A 36 0.746 -16.896 5.032 1.00 44.03 N ATOM 599 CA ARG A 36 0.112 -16.175 6.128 1.00 11.41 C ATOM 600 C ARG A 36 -0.671 -14.973 5.608 1.00 73.53 C ATOM 601 O ARG A 36 -0.358 -14.423 4.552 1.00 44.42 O ATOM 602 CB ARG A 36 1.164 -15.712 7.138 1.00 53.01 C ATOM 603 CG ARG A 36 0.618 -14.768 8.198 1.00 70.24 C ATOM 604 CD ARG A 36 1.598 -14.596 9.347 1.00 13.33 C ATOM 605 NE ARG A 36 2.686 -13.684 9.007 1.00 51.33 N ATOM 606 CZ ARG A 36 2.595 -12.362 9.105 1.00 4.24 C ATOM 607 NH1 ARG A 36 1.473 -11.801 9.533 1.00 34.40 N ATOM 608 NH2 ARG A 36 3.630 -11.598 8.777 1.00 34.33 N ATOM 0 H ARG A 36 1.282 -16.308 4.394 1.00 44.03 H new ATOM 0 HA ARG A 36 -0.583 -16.854 6.622 1.00 11.41 H new ATOM 0 HB2 ARG A 36 1.594 -16.586 7.628 1.00 53.01 H new ATOM 0 HB3 ARG A 36 1.974 -15.215 6.604 1.00 53.01 H new ATOM 0 HG2 ARG A 36 0.408 -13.797 7.749 1.00 70.24 H new ATOM 0 HG3 ARG A 36 -0.327 -15.154 8.579 1.00 70.24 H new ATOM 0 HD2 ARG A 36 1.068 -14.218 10.222 1.00 13.33 H new ATOM 0 HD3 ARG A 36 2.011 -15.567 9.619 1.00 13.33 H new ATOM 0 HE ARG A 36 3.564 -14.084 8.676 1.00 51.33 H new ATOM 0 HH11 ARG A 36 0.676 -12.384 9.788 1.00 34.40 H new ATOM 0 HH12 ARG A 36 1.406 -10.786 9.607 1.00 34.40 H new ATOM 0 HH21 ARG A 36 4.496 -12.026 8.449 1.00 34.33 H new ATOM 0 HH22 ARG A 36 3.559 -10.583 8.853 1.00 34.33 H new ATOM 622 N CYS A 37 -1.695 -14.572 6.355 1.00 0.03 N ATOM 623 CA CYS A 37 -2.525 -13.437 5.969 1.00 52.10 C ATOM 624 C CYS A 37 -1.982 -12.139 6.562 1.00 33.45 C ATOM 625 O CYS A 37 -1.008 -12.147 7.314 1.00 11.14 O ATOM 626 CB CYS A 37 -3.968 -13.656 6.428 1.00 54.44 C ATOM 627 SG CYS A 37 -5.017 -14.502 5.203 1.00 74.25 S ATOM 0 H CYS A 37 -1.970 -15.016 7.231 1.00 0.03 H new ATOM 0 HA CYS A 37 -2.504 -13.356 4.882 1.00 52.10 H new ATOM 0 HB2 CYS A 37 -3.961 -14.239 7.349 1.00 54.44 H new ATOM 0 HB3 CYS A 37 -4.413 -12.690 6.666 1.00 54.44 H new ATOM 632 N LYS A 38 -2.619 -11.027 6.217 1.00 53.32 N ATOM 633 CA LYS A 38 -2.203 -9.720 6.715 1.00 70.32 C ATOM 634 C LYS A 38 -3.171 -9.210 7.777 1.00 54.21 C ATOM 635 O LYS A 38 -4.352 -9.554 7.771 1.00 14.31 O ATOM 636 CB LYS A 38 -2.117 -8.716 5.562 1.00 34.45 C ATOM 637 CG LYS A 38 -1.061 -7.645 5.767 1.00 52.53 C ATOM 638 CD LYS A 38 0.328 -8.248 5.893 1.00 54.32 C ATOM 639 CE LYS A 38 1.398 -7.297 5.377 1.00 55.04 C ATOM 640 NZ LYS A 38 2.733 -7.951 5.303 1.00 1.42 N ATOM 0 H LYS A 38 -3.426 -11.003 5.594 1.00 53.32 H new ATOM 0 HA LYS A 38 -1.218 -9.828 7.169 1.00 70.32 H new ATOM 0 HB2 LYS A 38 -1.903 -9.254 4.638 1.00 34.45 H new ATOM 0 HB3 LYS A 38 -3.088 -8.238 5.435 1.00 34.45 H new ATOM 0 HG2 LYS A 38 -1.081 -6.948 4.929 1.00 52.53 H new ATOM 0 HG3 LYS A 38 -1.292 -7.072 6.665 1.00 52.53 H new ATOM 0 HD2 LYS A 38 0.527 -8.490 6.937 1.00 54.32 H new ATOM 0 HD3 LYS A 38 0.372 -9.183 5.335 1.00 54.32 H new ATOM 0 HE2 LYS A 38 1.116 -6.935 4.388 1.00 55.04 H new ATOM 0 HE3 LYS A 38 1.456 -6.427 6.031 1.00 55.04 H new ATOM 0 HZ1 LYS A 38 3.434 -7.270 4.947 1.00 1.42 H new ATOM 0 HZ2 LYS A 38 3.014 -8.274 6.251 1.00 1.42 H new ATOM 0 HZ3 LYS A 38 2.685 -8.767 4.659 1.00 1.42 H new ATOM 654 N ASN A 39 -2.662 -8.385 8.687 1.00 54.41 N ATOM 655 CA ASN A 39 -3.483 -7.825 9.755 1.00 2.24 C ATOM 656 C ASN A 39 -4.289 -6.631 9.253 1.00 31.45 C ATOM 657 O ASN A 39 -5.370 -6.340 9.766 1.00 30.14 O ATOM 658 CB ASN A 39 -2.604 -7.402 10.934 1.00 63.23 C ATOM 659 CG ASN A 39 -1.360 -8.260 11.063 1.00 42.32 C ATOM 660 OD1 ASN A 39 -0.254 -7.820 10.749 1.00 43.51 O ATOM 661 ND2 ASN A 39 -1.536 -9.491 11.529 1.00 60.35 N ATOM 0 H ASN A 39 -1.686 -8.090 8.706 1.00 54.41 H new ATOM 0 HA ASN A 39 -4.178 -8.596 10.087 1.00 2.24 H new ATOM 0 HB2 ASN A 39 -2.312 -6.359 10.810 1.00 63.23 H new ATOM 0 HB3 ASN A 39 -3.182 -7.464 11.856 1.00 63.23 H new ATOM 0 HD21 ASN A 39 -0.736 -10.114 11.639 1.00 60.35 H new ATOM 0 HD22 ASN A 39 -2.471 -9.814 11.777 1.00 60.35 H new ATOM 668 N GLN A 40 -3.756 -5.944 8.248 1.00 31.30 N ATOM 669 CA GLN A 40 -4.427 -4.782 7.677 1.00 41.00 C ATOM 670 C GLN A 40 -4.037 -4.592 6.215 1.00 23.33 C ATOM 671 O GLN A 40 -3.144 -5.269 5.708 1.00 64.15 O ATOM 672 CB GLN A 40 -4.081 -3.525 8.477 1.00 54.20 C ATOM 673 CG GLN A 40 -5.061 -3.229 9.600 1.00 34.44 C ATOM 674 CD GLN A 40 -4.408 -2.530 10.776 1.00 75.14 C ATOM 675 OE1 GLN A 40 -4.146 -3.143 11.810 1.00 1.35 O ATOM 676 NE2 GLN A 40 -4.142 -1.237 10.622 1.00 31.23 N ATOM 0 H GLN A 40 -2.862 -6.172 7.813 1.00 31.30 H new ATOM 0 HA GLN A 40 -5.502 -4.953 7.727 1.00 41.00 H new ATOM 0 HB2 GLN A 40 -3.082 -3.636 8.898 1.00 54.20 H new ATOM 0 HB3 GLN A 40 -4.048 -2.671 7.800 1.00 54.20 H new ATOM 0 HG2 GLN A 40 -5.870 -2.607 9.216 1.00 34.44 H new ATOM 0 HG3 GLN A 40 -5.510 -4.162 9.941 1.00 34.44 H new ATOM 0 HE21 GLN A 40 -4.377 -0.769 9.747 1.00 31.23 H new ATOM 0 HE22 GLN A 40 -3.703 -0.713 11.379 1.00 31.23 H new ATOM 685 N ASN A 41 -4.714 -3.667 5.542 1.00 15.25 N ATOM 686 CA ASN A 41 -4.439 -3.389 4.138 1.00 41.24 C ATOM 687 C ASN A 41 -5.266 -2.206 3.645 1.00 54.40 C ATOM 688 O ASN A 41 -6.460 -2.104 3.932 1.00 60.43 O ATOM 689 CB ASN A 41 -4.737 -4.624 3.284 1.00 52.35 C ATOM 690 CG ASN A 41 -4.414 -4.405 1.819 1.00 55.04 C ATOM 691 OD1 ASN A 41 -3.282 -3.765 1.551 1.00 43.12 O flip ATOM 692 ND2 ASN A 41 -5.176 -4.806 0.938 1.00 33.22 N flip ATOM 0 H ASN A 41 -5.457 -3.097 5.947 1.00 15.25 H new ATOM 0 HA ASN A 41 -3.383 -3.136 4.044 1.00 41.24 H new ATOM 0 HB2 ASN A 41 -4.159 -5.469 3.658 1.00 52.35 H new ATOM 0 HB3 ASN A 41 -5.790 -4.887 3.386 1.00 52.35 H new ATOM 0 HD21 ASN A 41 -6.036 -5.293 1.190 1.00 33.22 H new ATOM 0 HD22 ASN A 41 -4.947 -4.651 -0.044 1.00 33.22 H new ATOM 699 N THR A 42 -4.624 -1.310 2.902 1.00 40.52 N ATOM 700 CA THR A 42 -5.298 -0.132 2.370 1.00 11.13 C ATOM 701 C THR A 42 -5.075 -0.003 0.868 1.00 34.11 C ATOM 702 O THR A 42 -3.946 0.172 0.410 1.00 20.22 O ATOM 703 CB THR A 42 -4.812 1.155 3.062 1.00 10.43 C ATOM 704 OG1 THR A 42 -5.031 1.064 4.475 1.00 53.01 O ATOM 705 CG2 THR A 42 -5.536 2.373 2.509 1.00 1.21 C ATOM 0 H THR A 42 -3.637 -1.378 2.655 1.00 40.52 H new ATOM 0 HA THR A 42 -6.362 -0.261 2.567 1.00 11.13 H new ATOM 0 HB THR A 42 -3.745 1.266 2.866 1.00 10.43 H new ATOM 0 HG1 THR A 42 -4.718 1.885 4.908 1.00 53.01 H new ATOM 0 HG21 THR A 42 -5.176 3.270 3.013 1.00 1.21 H new ATOM 0 HG22 THR A 42 -5.344 2.456 1.439 1.00 1.21 H new ATOM 0 HG23 THR A 42 -6.608 2.267 2.678 1.00 1.21 H new ATOM 713 N PHE A 43 -6.159 -0.089 0.104 1.00 41.02 N ATOM 714 CA PHE A 43 -6.081 0.019 -1.348 1.00 74.40 C ATOM 715 C PHE A 43 -6.402 1.438 -1.807 1.00 51.34 C ATOM 716 O PHE A 43 -7.554 1.872 -1.763 1.00 54.20 O ATOM 717 CB PHE A 43 -7.045 -0.971 -2.007 1.00 4.33 C ATOM 718 CG PHE A 43 -6.512 -2.375 -2.068 1.00 35.24 C ATOM 719 CD1 PHE A 43 -5.477 -2.700 -2.929 1.00 31.35 C ATOM 720 CD2 PHE A 43 -7.049 -3.369 -1.265 1.00 40.04 C ATOM 721 CE1 PHE A 43 -4.985 -3.990 -2.988 1.00 1.14 C ATOM 722 CE2 PHE A 43 -6.561 -4.660 -1.319 1.00 62.41 C ATOM 723 CZ PHE A 43 -5.529 -4.972 -2.182 1.00 43.43 C ATOM 0 H PHE A 43 -7.102 -0.233 0.466 1.00 41.02 H new ATOM 0 HA PHE A 43 -5.061 -0.220 -1.650 1.00 74.40 H new ATOM 0 HB2 PHE A 43 -7.986 -0.971 -1.456 1.00 4.33 H new ATOM 0 HB3 PHE A 43 -7.268 -0.631 -3.018 1.00 4.33 H new ATOM 0 HD1 PHE A 43 -5.049 -1.936 -3.562 1.00 31.35 H new ATOM 0 HD2 PHE A 43 -7.858 -3.131 -0.590 1.00 40.04 H new ATOM 0 HE1 PHE A 43 -4.177 -4.230 -3.663 1.00 1.14 H new ATOM 0 HE2 PHE A 43 -6.986 -5.425 -0.687 1.00 62.41 H new ATOM 0 HZ PHE A 43 -5.148 -5.981 -2.227 1.00 43.43 H new ATOM 733 N LEU A 44 -5.376 2.158 -2.246 1.00 45.01 N ATOM 734 CA LEU A 44 -5.546 3.529 -2.713 1.00 12.53 C ATOM 735 C LEU A 44 -5.821 3.564 -4.212 1.00 74.24 C ATOM 736 O LEU A 44 -4.967 3.198 -5.020 1.00 25.33 O ATOM 737 CB LEU A 44 -4.299 4.357 -2.393 1.00 21.24 C ATOM 738 CG LEU A 44 -3.482 3.898 -1.185 1.00 11.14 C ATOM 739 CD1 LEU A 44 -2.573 5.017 -0.700 1.00 22.33 C ATOM 740 CD2 LEU A 44 -4.400 3.432 -0.065 1.00 21.44 C ATOM 0 H LEU A 44 -4.416 1.815 -2.288 1.00 45.01 H new ATOM 0 HA LEU A 44 -6.403 3.959 -2.195 1.00 12.53 H new ATOM 0 HB2 LEU A 44 -3.650 4.353 -3.269 1.00 21.24 H new ATOM 0 HB3 LEU A 44 -4.605 5.390 -2.228 1.00 21.24 H new ATOM 0 HG LEU A 44 -2.859 3.057 -1.490 1.00 11.14 H new ATOM 0 HD11 LEU A 44 -1.999 4.673 0.160 1.00 22.33 H new ATOM 0 HD12 LEU A 44 -1.891 5.304 -1.500 1.00 22.33 H new ATOM 0 HD13 LEU A 44 -3.177 5.877 -0.412 1.00 22.33 H new ATOM 0 HD21 LEU A 44 -3.801 3.109 0.786 1.00 21.44 H new ATOM 0 HD22 LEU A 44 -5.049 4.253 0.239 1.00 21.44 H new ATOM 0 HD23 LEU A 44 -5.009 2.599 -0.417 1.00 21.44 H new ATOM 752 N ARG A 45 -7.019 4.009 -4.578 1.00 60.22 N ATOM 753 CA ARG A 45 -7.407 4.092 -5.981 1.00 75.12 C ATOM 754 C ARG A 45 -6.484 5.039 -6.745 1.00 72.41 C ATOM 755 O ARG A 45 -6.833 6.192 -7.000 1.00 5.42 O ATOM 756 CB ARG A 45 -8.856 4.567 -6.104 1.00 72.15 C ATOM 757 CG ARG A 45 -9.879 3.483 -5.803 1.00 50.50 C ATOM 758 CD ARG A 45 -11.191 3.740 -6.527 1.00 21.52 C ATOM 759 NE ARG A 45 -11.023 3.749 -7.977 1.00 45.14 N ATOM 760 CZ ARG A 45 -12.035 3.685 -8.836 1.00 23.02 C ATOM 761 NH1 ARG A 45 -13.281 3.605 -8.391 1.00 73.22 N ATOM 762 NH2 ARG A 45 -11.800 3.699 -10.142 1.00 51.10 N ATOM 0 H ARG A 45 -7.737 4.317 -3.923 1.00 60.22 H new ATOM 0 HA ARG A 45 -7.320 3.096 -6.416 1.00 75.12 H new ATOM 0 HB2 ARG A 45 -9.014 5.404 -5.423 1.00 72.15 H new ATOM 0 HB3 ARG A 45 -9.022 4.942 -7.114 1.00 72.15 H new ATOM 0 HG2 ARG A 45 -9.481 2.513 -6.101 1.00 50.50 H new ATOM 0 HG3 ARG A 45 -10.058 3.438 -4.729 1.00 50.50 H new ATOM 0 HD2 ARG A 45 -11.914 2.972 -6.251 1.00 21.52 H new ATOM 0 HD3 ARG A 45 -11.602 4.696 -6.204 1.00 21.52 H new ATOM 0 HE ARG A 45 -10.076 3.808 -8.352 1.00 45.14 H new ATOM 0 HH11 ARG A 45 -13.464 3.592 -7.388 1.00 73.22 H new ATOM 0 HH12 ARG A 45 -14.056 3.556 -9.052 1.00 73.22 H new ATOM 0 HH21 ARG A 45 -10.842 3.759 -10.487 1.00 51.10 H new ATOM 0 HH22 ARG A 45 -12.577 3.650 -10.801 1.00 51.10 H new ATOM 776 N THR A 46 -5.306 4.543 -7.108 1.00 62.50 N ATOM 777 CA THR A 46 -4.333 5.342 -7.841 1.00 0.42 C ATOM 778 C THR A 46 -3.251 4.464 -8.458 1.00 30.32 C ATOM 779 O THR A 46 -3.006 3.347 -8.000 1.00 13.05 O ATOM 780 CB THR A 46 -3.668 6.391 -6.929 1.00 41.11 C ATOM 781 OG1 THR A 46 -3.201 7.496 -7.711 1.00 70.45 O ATOM 782 CG2 THR A 46 -2.505 5.781 -6.160 1.00 44.22 C ATOM 0 H THR A 46 -5.002 3.590 -6.906 1.00 62.50 H new ATOM 0 HA THR A 46 -4.878 5.853 -8.635 1.00 0.42 H new ATOM 0 HB THR A 46 -4.412 6.741 -6.214 1.00 41.11 H new ATOM 0 HG1 THR A 46 -2.928 8.225 -7.116 1.00 70.45 H new ATOM 0 HG21 THR A 46 -2.052 6.541 -5.523 1.00 44.22 H new ATOM 0 HG22 THR A 46 -2.868 4.959 -5.543 1.00 44.22 H new ATOM 0 HG23 THR A 46 -1.761 5.405 -6.863 1.00 44.22 H new ATOM 790 N THR A 47 -2.604 4.974 -9.501 1.00 54.22 N ATOM 791 CA THR A 47 -1.549 4.235 -10.182 1.00 51.20 C ATOM 792 C THR A 47 -0.195 4.479 -9.525 1.00 71.43 C ATOM 793 O THR A 47 0.054 5.551 -8.972 1.00 75.11 O ATOM 794 CB THR A 47 -1.461 4.623 -11.670 1.00 75.31 C ATOM 795 OG1 THR A 47 -1.905 5.972 -11.852 1.00 54.35 O ATOM 796 CG2 THR A 47 -2.306 3.687 -12.524 1.00 1.50 C ATOM 0 H THR A 47 -2.793 5.897 -9.893 1.00 54.22 H new ATOM 0 HA THR A 47 -1.803 3.178 -10.104 1.00 51.20 H new ATOM 0 HB THR A 47 -0.421 4.538 -11.984 1.00 75.31 H new ATOM 0 HG1 THR A 47 -1.559 6.531 -11.125 1.00 54.35 H new ATOM 0 HG21 THR A 47 -2.228 3.980 -13.571 1.00 1.50 H new ATOM 0 HG22 THR A 47 -1.948 2.664 -12.406 1.00 1.50 H new ATOM 0 HG23 THR A 47 -3.347 3.746 -12.207 1.00 1.50 H new ATOM 804 N PHE A 48 0.678 3.479 -9.590 1.00 22.44 N ATOM 805 CA PHE A 48 2.007 3.586 -9.000 1.00 63.21 C ATOM 806 C PHE A 48 2.644 4.931 -9.334 1.00 65.20 C ATOM 807 O PHE A 48 3.413 5.479 -8.545 1.00 75.23 O ATOM 808 CB PHE A 48 2.901 2.447 -9.496 1.00 74.23 C ATOM 809 CG PHE A 48 3.922 2.004 -8.488 1.00 62.50 C ATOM 810 CD1 PHE A 48 3.541 1.656 -7.203 1.00 1.33 C ATOM 811 CD2 PHE A 48 5.264 1.933 -8.827 1.00 54.53 C ATOM 812 CE1 PHE A 48 4.478 1.248 -6.273 1.00 42.53 C ATOM 813 CE2 PHE A 48 6.207 1.526 -7.902 1.00 32.24 C ATOM 814 CZ PHE A 48 5.813 1.183 -6.624 1.00 23.23 C ATOM 0 H PHE A 48 0.489 2.586 -10.045 1.00 22.44 H new ATOM 0 HA PHE A 48 1.904 3.513 -7.917 1.00 63.21 H new ATOM 0 HB2 PHE A 48 2.276 1.596 -9.766 1.00 74.23 H new ATOM 0 HB3 PHE A 48 3.413 2.767 -10.404 1.00 74.23 H new ATOM 0 HD1 PHE A 48 2.499 1.704 -6.924 1.00 1.33 H new ATOM 0 HD2 PHE A 48 5.577 2.199 -9.826 1.00 54.53 H new ATOM 0 HE1 PHE A 48 4.168 0.980 -5.274 1.00 42.53 H new ATOM 0 HE2 PHE A 48 7.250 1.476 -8.178 1.00 32.24 H new ATOM 0 HZ PHE A 48 6.547 0.864 -5.899 1.00 23.23 H new ATOM 824 N ALA A 49 2.320 5.455 -10.512 1.00 2.41 N ATOM 825 CA ALA A 49 2.859 6.736 -10.951 1.00 13.42 C ATOM 826 C ALA A 49 2.444 7.860 -10.007 1.00 34.14 C ATOM 827 O ALA A 49 3.289 8.563 -9.454 1.00 32.44 O ATOM 828 CB ALA A 49 2.403 7.042 -12.370 1.00 75.35 C ATOM 0 H ALA A 49 1.687 5.012 -11.179 1.00 2.41 H new ATOM 0 HA ALA A 49 3.947 6.668 -10.937 1.00 13.42 H new ATOM 0 HB1 ALA A 49 2.813 8.002 -12.685 1.00 75.35 H new ATOM 0 HB2 ALA A 49 2.755 6.259 -13.042 1.00 75.35 H new ATOM 0 HB3 ALA A 49 1.314 7.085 -12.401 1.00 75.35 H new ATOM 834 N ASN A 50 1.137 8.023 -9.828 1.00 14.20 N ATOM 835 CA ASN A 50 0.610 9.062 -8.950 1.00 42.14 C ATOM 836 C ASN A 50 1.246 8.980 -7.566 1.00 41.22 C ATOM 837 O ASN A 50 1.578 10.000 -6.962 1.00 1.42 O ATOM 838 CB ASN A 50 -0.911 8.938 -8.834 1.00 3.32 C ATOM 839 CG ASN A 50 -1.618 9.245 -10.140 1.00 43.03 C ATOM 840 OD1 ASN A 50 -2.106 8.206 -10.807 1.00 45.34 O flip ATOM 841 ND2 ASN A 50 -1.724 10.403 -10.544 1.00 2.43 N flip ATOM 0 H ASN A 50 0.424 7.450 -10.279 1.00 14.20 H new ATOM 0 HA ASN A 50 0.856 10.030 -9.386 1.00 42.14 H new ATOM 0 HB2 ASN A 50 -1.167 7.928 -8.514 1.00 3.32 H new ATOM 0 HB3 ASN A 50 -1.270 9.618 -8.061 1.00 3.32 H new ATOM 0 HD21 ASN A 50 -1.333 11.171 -9.998 1.00 2.43 H new ATOM 0 HD22 ASN A 50 -2.202 10.594 -11.424 1.00 2.43 H new ATOM 848 N VAL A 51 1.413 7.758 -7.069 1.00 11.40 N ATOM 849 CA VAL A 51 2.010 7.543 -5.757 1.00 25.34 C ATOM 850 C VAL A 51 3.471 7.979 -5.740 1.00 23.30 C ATOM 851 O VAL A 51 3.936 8.590 -4.777 1.00 25.42 O ATOM 852 CB VAL A 51 1.922 6.062 -5.337 1.00 43.45 C ATOM 853 CG1 VAL A 51 2.914 5.764 -4.223 1.00 15.33 C ATOM 854 CG2 VAL A 51 0.505 5.714 -4.910 1.00 4.12 C ATOM 0 H VAL A 51 1.143 6.903 -7.555 1.00 11.40 H new ATOM 0 HA VAL A 51 1.445 8.149 -5.048 1.00 25.34 H new ATOM 0 HB VAL A 51 2.180 5.441 -6.195 1.00 43.45 H new ATOM 0 HG11 VAL A 51 2.838 4.714 -3.939 1.00 15.33 H new ATOM 0 HG12 VAL A 51 3.926 5.973 -4.571 1.00 15.33 H new ATOM 0 HG13 VAL A 51 2.690 6.390 -3.359 1.00 15.33 H new ATOM 0 HG21 VAL A 51 0.461 4.665 -4.617 1.00 4.12 H new ATOM 0 HG22 VAL A 51 0.216 6.339 -4.066 1.00 4.12 H new ATOM 0 HG23 VAL A 51 -0.178 5.888 -5.741 1.00 4.12 H new ATOM 864 N VAL A 52 4.190 7.661 -6.812 1.00 12.33 N ATOM 865 CA VAL A 52 5.599 8.022 -6.921 1.00 41.15 C ATOM 866 C VAL A 52 5.776 9.535 -6.976 1.00 15.51 C ATOM 867 O VAL A 52 6.739 10.077 -6.434 1.00 52.35 O ATOM 868 CB VAL A 52 6.243 7.395 -8.172 1.00 43.30 C ATOM 869 CG1 VAL A 52 7.736 7.687 -8.206 1.00 60.34 C ATOM 870 CG2 VAL A 52 5.983 5.897 -8.211 1.00 75.12 C ATOM 0 H VAL A 52 3.821 7.155 -7.617 1.00 12.33 H new ATOM 0 HA VAL A 52 6.095 7.633 -6.032 1.00 41.15 H new ATOM 0 HB VAL A 52 5.789 7.842 -9.057 1.00 43.30 H new ATOM 0 HG11 VAL A 52 8.175 7.237 -9.096 1.00 60.34 H new ATOM 0 HG12 VAL A 52 7.895 8.765 -8.229 1.00 60.34 H new ATOM 0 HG13 VAL A 52 8.209 7.269 -7.317 1.00 60.34 H new ATOM 0 HG21 VAL A 52 6.445 5.471 -9.101 1.00 75.12 H new ATOM 0 HG22 VAL A 52 6.409 5.431 -7.323 1.00 75.12 H new ATOM 0 HG23 VAL A 52 4.909 5.715 -8.237 1.00 75.12 H new ATOM 880 N ASN A 53 4.839 10.212 -7.632 1.00 2.43 N ATOM 881 CA ASN A 53 4.892 11.664 -7.757 1.00 70.02 C ATOM 882 C ASN A 53 4.638 12.336 -6.411 1.00 22.34 C ATOM 883 O ASN A 53 5.016 13.489 -6.199 1.00 74.53 O ATOM 884 CB ASN A 53 3.864 12.147 -8.783 1.00 24.45 C ATOM 885 CG ASN A 53 3.450 13.587 -8.553 1.00 11.41 C ATOM 886 OD1 ASN A 53 4.206 14.515 -8.841 1.00 45.01 O ATOM 887 ND2 ASN A 53 2.244 13.780 -8.033 1.00 42.54 N ATOM 0 H ASN A 53 4.034 9.779 -8.085 1.00 2.43 H new ATOM 0 HA ASN A 53 5.891 11.938 -8.097 1.00 70.02 H new ATOM 0 HB2 ASN A 53 4.281 12.047 -9.785 1.00 24.45 H new ATOM 0 HB3 ASN A 53 2.983 11.507 -8.739 1.00 24.45 H new ATOM 0 HD21 ASN A 53 1.910 14.728 -7.857 1.00 42.54 H new ATOM 0 HD22 ASN A 53 1.651 12.981 -7.810 1.00 42.54 H new ATOM 894 N VAL A 54 3.997 11.606 -5.504 1.00 14.43 N ATOM 895 CA VAL A 54 3.694 12.130 -4.178 1.00 1.33 C ATOM 896 C VAL A 54 4.962 12.285 -3.345 1.00 42.11 C ATOM 897 O VAL A 54 5.092 13.226 -2.561 1.00 13.21 O ATOM 898 CB VAL A 54 2.708 11.218 -3.425 1.00 60.23 C ATOM 899 CG1 VAL A 54 2.769 11.483 -1.929 1.00 15.42 C ATOM 900 CG2 VAL A 54 1.294 11.412 -3.952 1.00 73.35 C ATOM 0 H VAL A 54 3.678 10.650 -5.663 1.00 14.43 H new ATOM 0 HA VAL A 54 3.235 13.108 -4.322 1.00 1.33 H new ATOM 0 HB VAL A 54 2.997 10.181 -3.597 1.00 60.23 H new ATOM 0 HG11 VAL A 54 2.065 10.829 -1.415 1.00 15.42 H new ATOM 0 HG12 VAL A 54 3.778 11.288 -1.566 1.00 15.42 H new ATOM 0 HG13 VAL A 54 2.508 12.523 -1.733 1.00 15.42 H new ATOM 0 HG21 VAL A 54 0.610 10.760 -3.409 1.00 73.35 H new ATOM 0 HG22 VAL A 54 0.993 12.450 -3.812 1.00 73.35 H new ATOM 0 HG23 VAL A 54 1.264 11.165 -5.013 1.00 73.35 H new ATOM 910 N CYS A 55 5.896 11.356 -3.520 1.00 53.22 N ATOM 911 CA CYS A 55 7.154 11.389 -2.786 1.00 25.43 C ATOM 912 C CYS A 55 7.908 12.687 -3.054 1.00 51.43 C ATOM 913 O CYS A 55 8.621 13.194 -2.189 1.00 51.13 O ATOM 914 CB CYS A 55 8.025 10.192 -3.173 1.00 63.24 C ATOM 915 SG CYS A 55 9.775 10.359 -2.693 1.00 64.31 S ATOM 0 H CYS A 55 5.805 10.571 -4.164 1.00 53.22 H new ATOM 0 HA CYS A 55 6.925 11.336 -1.722 1.00 25.43 H new ATOM 0 HB2 CYS A 55 7.616 9.294 -2.709 1.00 63.24 H new ATOM 0 HB3 CYS A 55 7.967 10.048 -4.252 1.00 63.24 H new ATOM 920 N GLY A 56 7.744 13.223 -4.261 1.00 34.52 N ATOM 921 CA GLY A 56 8.413 14.458 -4.622 1.00 12.13 C ATOM 922 C GLY A 56 7.786 15.672 -3.964 1.00 42.10 C ATOM 923 O GLY A 56 8.153 16.807 -4.263 1.00 44.14 O ATOM 0 H GLY A 56 7.159 12.823 -4.995 1.00 34.52 H new ATOM 0 HA2 GLY A 56 9.463 14.396 -4.336 1.00 12.13 H new ATOM 0 HA3 GLY A 56 8.384 14.580 -5.705 1.00 12.13 H new ATOM 927 N ASN A 57 6.838 15.432 -3.065 1.00 20.51 N ATOM 928 CA ASN A 57 6.157 16.514 -2.364 1.00 42.22 C ATOM 929 C ASN A 57 6.838 16.813 -1.032 1.00 62.24 C ATOM 930 O ASN A 57 7.644 16.020 -0.545 1.00 41.32 O ATOM 931 CB ASN A 57 4.689 16.154 -2.129 1.00 34.42 C ATOM 932 CG ASN A 57 3.934 15.926 -3.425 1.00 11.01 C ATOM 933 OD1 ASN A 57 4.397 16.306 -4.500 1.00 3.12 O ATOM 934 ND2 ASN A 57 2.765 15.304 -3.327 1.00 22.42 N ATOM 0 H ASN A 57 6.524 14.497 -2.804 1.00 20.51 H new ATOM 0 HA ASN A 57 6.210 17.406 -2.988 1.00 42.22 H new ATOM 0 HB2 ASN A 57 4.632 15.255 -1.516 1.00 34.42 H new ATOM 0 HB3 ASN A 57 4.207 16.954 -1.567 1.00 34.42 H new ATOM 0 HD21 ASN A 57 2.212 15.124 -4.165 1.00 22.42 H new ATOM 0 HD22 ASN A 57 2.420 15.007 -2.414 1.00 22.42 H new ATOM 941 N GLN A 58 6.509 17.961 -0.450 1.00 53.32 N ATOM 942 CA GLN A 58 7.090 18.365 0.825 1.00 33.43 C ATOM 943 C GLN A 58 7.063 17.213 1.824 1.00 4.52 C ATOM 944 O GLN A 58 6.006 16.845 2.335 1.00 61.41 O ATOM 945 CB GLN A 58 6.335 19.567 1.396 1.00 73.22 C ATOM 946 CG GLN A 58 6.991 20.167 2.629 1.00 54.51 C ATOM 947 CD GLN A 58 8.404 20.647 2.363 1.00 72.23 C ATOM 948 OE1 GLN A 58 8.612 21.674 1.717 1.00 52.52 O ATOM 949 NE2 GLN A 58 9.386 19.904 2.861 1.00 33.32 N ATOM 0 H GLN A 58 5.843 18.628 -0.841 1.00 53.32 H new ATOM 0 HA GLN A 58 8.128 18.647 0.649 1.00 33.43 H new ATOM 0 HB2 GLN A 58 6.256 20.335 0.627 1.00 73.22 H new ATOM 0 HB3 GLN A 58 5.319 19.262 1.647 1.00 73.22 H new ATOM 0 HG2 GLN A 58 6.389 21.002 2.986 1.00 54.51 H new ATOM 0 HG3 GLN A 58 7.008 19.423 3.425 1.00 54.51 H new ATOM 0 HE21 GLN A 58 9.169 19.060 3.391 1.00 33.32 H new ATOM 0 HE22 GLN A 58 10.358 20.178 2.714 1.00 33.32 H new ATOM 958 N SER A 59 8.235 16.647 2.098 1.00 15.15 N ATOM 959 CA SER A 59 8.345 15.533 3.033 1.00 44.42 C ATOM 960 C SER A 59 8.016 15.982 4.454 1.00 71.32 C ATOM 961 O SER A 59 8.312 17.111 4.844 1.00 40.22 O ATOM 962 CB SER A 59 9.755 14.940 2.988 1.00 71.40 C ATOM 963 OG SER A 59 10.735 15.960 2.902 1.00 65.01 O ATOM 0 H SER A 59 9.121 16.941 1.686 1.00 15.15 H new ATOM 0 HA SER A 59 7.627 14.769 2.736 1.00 44.42 H new ATOM 0 HB2 SER A 59 9.929 14.339 3.881 1.00 71.40 H new ATOM 0 HB3 SER A 59 9.845 14.272 2.131 1.00 71.40 H new ATOM 0 HG SER A 59 11.627 15.555 2.876 1.00 65.01 H new ATOM 969 N ILE A 60 7.400 15.088 5.222 1.00 61.05 N ATOM 970 CA ILE A 60 7.031 15.391 6.599 1.00 73.43 C ATOM 971 C ILE A 60 7.398 14.241 7.531 1.00 51.23 C ATOM 972 O ILE A 60 7.641 13.120 7.085 1.00 64.13 O ATOM 973 CB ILE A 60 5.523 15.679 6.726 1.00 4.44 C ATOM 974 CG1 ILE A 60 4.721 14.709 5.858 1.00 72.13 C ATOM 975 CG2 ILE A 60 5.225 17.119 6.337 1.00 40.43 C ATOM 976 CD1 ILE A 60 3.223 14.887 5.979 1.00 60.21 C ATOM 0 H ILE A 60 7.147 14.149 4.914 1.00 61.05 H new ATOM 0 HA ILE A 60 7.589 16.282 6.888 1.00 73.43 H new ATOM 0 HB ILE A 60 5.227 15.535 7.765 1.00 4.44 H new ATOM 0 HG12 ILE A 60 5.012 14.841 4.816 1.00 72.13 H new ATOM 0 HG13 ILE A 60 4.981 13.687 6.134 1.00 72.13 H new ATOM 0 HG21 ILE A 60 4.156 17.308 6.432 1.00 40.43 H new ATOM 0 HG22 ILE A 60 5.772 17.794 6.995 1.00 40.43 H new ATOM 0 HG23 ILE A 60 5.533 17.288 5.305 1.00 40.43 H new ATOM 0 HD11 ILE A 60 2.718 14.166 5.336 1.00 60.21 H new ATOM 0 HD12 ILE A 60 2.920 14.726 7.013 1.00 60.21 H new ATOM 0 HD13 ILE A 60 2.951 15.898 5.675 1.00 60.21 H new ATOM 988 N ARG A 61 7.435 14.528 8.829 1.00 75.42 N ATOM 989 CA ARG A 61 7.772 13.519 9.825 1.00 61.22 C ATOM 990 C ARG A 61 6.605 12.560 10.044 1.00 10.30 C ATOM 991 O ARG A 61 5.515 12.974 10.443 1.00 22.25 O ATOM 992 CB ARG A 61 8.154 14.185 11.147 1.00 22.21 C ATOM 993 CG ARG A 61 7.158 15.235 11.611 1.00 24.22 C ATOM 994 CD ARG A 61 7.120 15.335 13.128 1.00 72.04 C ATOM 995 NE ARG A 61 5.806 15.742 13.617 1.00 54.55 N ATOM 996 CZ ARG A 61 5.427 15.632 14.884 1.00 34.15 C ATOM 997 NH1 ARG A 61 6.257 15.130 15.788 1.00 44.23 N ATOM 998 NH2 ARG A 61 4.213 16.025 15.252 1.00 21.22 N ATOM 0 H ARG A 61 7.236 15.451 9.214 1.00 75.42 H new ATOM 0 HA ARG A 61 8.624 12.949 9.454 1.00 61.22 H new ATOM 0 HB2 ARG A 61 8.246 13.419 11.917 1.00 22.21 H new ATOM 0 HB3 ARG A 61 9.135 14.649 11.040 1.00 22.21 H new ATOM 0 HG2 ARG A 61 7.425 16.203 11.188 1.00 24.22 H new ATOM 0 HG3 ARG A 61 6.165 14.987 11.237 1.00 24.22 H new ATOM 0 HD2 ARG A 61 7.385 14.371 13.562 1.00 72.04 H new ATOM 0 HD3 ARG A 61 7.869 16.052 13.463 1.00 72.04 H new ATOM 0 HE ARG A 61 5.143 16.132 12.948 1.00 54.55 H new ATOM 0 HH11 ARG A 61 7.191 14.827 15.511 1.00 44.23 H new ATOM 0 HH12 ARG A 61 5.962 15.047 16.761 1.00 44.23 H new ATOM 0 HH21 ARG A 61 3.571 16.412 14.560 1.00 21.22 H new ATOM 0 HH22 ARG A 61 3.923 15.940 16.226 1.00 21.22 H new ATOM 1012 N CYS A 62 6.840 11.280 9.779 1.00 32.43 N ATOM 1013 CA CYS A 62 5.809 10.262 9.946 1.00 11.22 C ATOM 1014 C CYS A 62 5.427 10.111 11.417 1.00 60.13 C ATOM 1015 O CYS A 62 6.263 10.214 12.315 1.00 71.24 O ATOM 1016 CB CYS A 62 6.293 8.921 9.393 1.00 34.01 C ATOM 1017 SG CYS A 62 7.384 9.065 7.942 1.00 45.13 S ATOM 0 H CYS A 62 7.736 10.922 9.447 1.00 32.43 H new ATOM 0 HA CYS A 62 4.927 10.579 9.390 1.00 11.22 H new ATOM 0 HB2 CYS A 62 6.823 8.385 10.181 1.00 34.01 H new ATOM 0 HB3 CYS A 62 5.426 8.317 9.124 1.00 34.01 H new ATOM 1022 N PRO A 63 4.134 9.859 11.670 1.00 73.45 N ATOM 1023 CA PRO A 63 3.612 9.686 13.028 1.00 51.45 C ATOM 1024 C PRO A 63 4.092 8.392 13.673 1.00 32.43 C ATOM 1025 O PRO A 63 4.156 8.283 14.899 1.00 64.53 O ATOM 1026 CB PRO A 63 2.096 9.654 12.823 1.00 33.33 C ATOM 1027 CG PRO A 63 1.912 9.182 11.422 1.00 52.44 C ATOM 1028 CD PRO A 63 3.083 9.723 10.647 1.00 35.34 C ATOM 0 HA PRO A 63 3.948 10.477 13.698 1.00 51.45 H new ATOM 0 HB2 PRO A 63 1.615 8.982 13.533 1.00 33.33 H new ATOM 0 HB3 PRO A 63 1.656 10.640 12.969 1.00 33.33 H new ATOM 0 HG2 PRO A 63 1.884 8.093 11.377 1.00 52.44 H new ATOM 0 HG3 PRO A 63 0.970 9.543 11.009 1.00 52.44 H new ATOM 0 HD2 PRO A 63 3.384 9.045 9.849 1.00 35.34 H new ATOM 0 HD3 PRO A 63 2.849 10.680 10.181 1.00 35.34 H new ATOM 1036 N HIS A 64 4.428 7.410 12.842 1.00 52.42 N ATOM 1037 CA HIS A 64 4.903 6.121 13.332 1.00 54.50 C ATOM 1038 C HIS A 64 6.278 6.259 13.978 1.00 50.43 C ATOM 1039 O HIS A 64 6.668 5.440 14.809 1.00 44.22 O ATOM 1040 CB HIS A 64 4.963 5.107 12.189 1.00 55.33 C ATOM 1041 CG HIS A 64 3.615 4.698 11.681 1.00 61.24 C ATOM 1042 ND1 HIS A 64 2.434 5.147 12.233 1.00 71.15 N ATOM 1043 CD2 HIS A 64 3.265 3.876 10.664 1.00 71.14 C ATOM 1044 CE1 HIS A 64 1.415 4.618 11.578 1.00 1.42 C ATOM 1045 NE2 HIS A 64 1.892 3.843 10.621 1.00 0.10 N ATOM 0 H HIS A 64 4.380 7.483 11.826 1.00 52.42 H new ATOM 0 HA HIS A 64 4.201 5.766 14.086 1.00 54.50 H new ATOM 0 HB2 HIS A 64 5.539 5.532 11.367 1.00 55.33 H new ATOM 0 HB3 HIS A 64 5.499 4.220 12.528 1.00 55.33 H new ATOM 0 HD2 HIS A 64 3.939 3.345 10.008 1.00 71.14 H new ATOM 0 HE1 HIS A 64 0.370 4.790 11.790 1.00 1.42 H new ATOM 0 HE2 HIS A 64 1.332 3.307 9.958 1.00 0.10 H new ATOM 1054 N ASN A 65 7.007 7.301 13.591 1.00 73.34 N ATOM 1055 CA ASN A 65 8.340 7.545 14.131 1.00 34.25 C ATOM 1056 C ASN A 65 8.600 9.041 14.280 1.00 61.21 C ATOM 1057 O ASN A 65 8.578 9.785 13.299 1.00 41.31 O ATOM 1058 CB ASN A 65 9.402 6.918 13.227 1.00 22.13 C ATOM 1059 CG ASN A 65 9.201 5.425 13.049 1.00 5.32 C ATOM 1060 OD1 ASN A 65 9.170 4.672 14.022 1.00 21.41 O ATOM 1061 ND2 ASN A 65 9.066 4.991 11.802 1.00 40.34 N ATOM 0 H ASN A 65 6.697 7.990 12.906 1.00 73.34 H new ATOM 0 HA ASN A 65 8.396 7.085 15.117 1.00 34.25 H new ATOM 0 HB2 ASN A 65 9.378 7.404 12.252 1.00 22.13 H new ATOM 0 HB3 ASN A 65 10.390 7.101 13.650 1.00 22.13 H new ATOM 0 HD21 ASN A 65 8.930 3.997 11.620 1.00 40.34 H new ATOM 0 HD22 ASN A 65 9.098 5.652 11.026 1.00 40.34 H new ATOM 1068 N ARG A 66 8.847 9.473 15.512 1.00 41.20 N ATOM 1069 CA ARG A 66 9.111 10.880 15.789 1.00 43.12 C ATOM 1070 C ARG A 66 10.519 11.267 15.344 1.00 60.43 C ATOM 1071 O ARG A 66 10.968 12.390 15.572 1.00 44.40 O ATOM 1072 CB ARG A 66 8.939 11.169 17.281 1.00 43.43 C ATOM 1073 CG ARG A 66 9.751 10.248 18.178 1.00 44.24 C ATOM 1074 CD ARG A 66 9.679 10.681 19.633 1.00 73.40 C ATOM 1075 NE ARG A 66 10.434 9.789 20.508 1.00 24.42 N ATOM 1076 CZ ARG A 66 9.996 8.597 20.899 1.00 40.24 C ATOM 1077 NH1 ARG A 66 8.812 8.157 20.494 1.00 43.42 N ATOM 1078 NH2 ARG A 66 10.741 7.843 21.696 1.00 45.10 N ATOM 0 H ARG A 66 8.870 8.869 16.334 1.00 41.20 H new ATOM 0 HA ARG A 66 8.393 11.476 15.225 1.00 43.12 H new ATOM 0 HB2 ARG A 66 9.228 12.201 17.478 1.00 43.43 H new ATOM 0 HB3 ARG A 66 7.884 11.078 17.541 1.00 43.43 H new ATOM 0 HG2 ARG A 66 9.381 9.227 18.083 1.00 44.24 H new ATOM 0 HG3 ARG A 66 10.790 10.243 17.850 1.00 44.24 H new ATOM 0 HD2 ARG A 66 10.066 11.695 19.729 1.00 73.40 H new ATOM 0 HD3 ARG A 66 8.637 10.706 19.953 1.00 73.40 H new ATOM 0 HE ARG A 66 11.349 10.098 20.838 1.00 24.42 H new ATOM 0 HH11 ARG A 66 8.236 8.734 19.881 1.00 43.42 H new ATOM 0 HH12 ARG A 66 8.478 7.242 20.795 1.00 43.42 H new ATOM 0 HH21 ARG A 66 11.652 8.178 22.010 1.00 45.10 H new ATOM 0 HH22 ARG A 66 10.403 6.928 21.995 1.00 45.10 H new ATOM 1092 N THR A 67 11.212 10.327 14.707 1.00 22.30 N ATOM 1093 CA THR A 67 12.568 10.568 14.232 1.00 64.34 C ATOM 1094 C THR A 67 12.694 10.251 12.746 1.00 40.52 C ATOM 1095 O THR A 67 13.324 10.996 11.993 1.00 14.52 O ATOM 1096 CB THR A 67 13.596 9.727 15.013 1.00 33.31 C ATOM 1097 OG1 THR A 67 14.912 9.964 14.505 1.00 70.15 O ATOM 1098 CG2 THR A 67 13.268 8.244 14.913 1.00 64.31 C ATOM 0 H THR A 67 10.856 9.392 14.509 1.00 22.30 H new ATOM 0 HA THR A 67 12.776 11.625 14.395 1.00 64.34 H new ATOM 0 HB THR A 67 13.554 10.024 16.061 1.00 33.31 H new ATOM 0 HG1 THR A 67 15.559 9.427 15.008 1.00 70.15 H new ATOM 0 HG21 THR A 67 14.007 7.669 15.472 1.00 64.31 H new ATOM 0 HG22 THR A 67 12.277 8.062 15.328 1.00 64.31 H new ATOM 0 HG23 THR A 67 13.285 7.937 13.867 1.00 64.31 H new ATOM 1106 N LEU A 68 12.093 9.143 12.328 1.00 33.14 N ATOM 1107 CA LEU A 68 12.137 8.728 10.931 1.00 51.22 C ATOM 1108 C LEU A 68 11.325 9.676 10.055 1.00 51.31 C ATOM 1109 O LEU A 68 10.101 9.740 10.162 1.00 40.33 O ATOM 1110 CB LEU A 68 11.607 7.301 10.785 1.00 72.04 C ATOM 1111 CG LEU A 68 12.199 6.478 9.640 1.00 11.51 C ATOM 1112 CD1 LEU A 68 11.787 5.020 9.762 1.00 21.12 C ATOM 1113 CD2 LEU A 68 11.767 7.046 8.296 1.00 30.03 C ATOM 0 H LEU A 68 11.569 8.515 12.937 1.00 33.14 H new ATOM 0 HA LEU A 68 13.176 8.759 10.602 1.00 51.22 H new ATOM 0 HB2 LEU A 68 11.789 6.770 11.719 1.00 72.04 H new ATOM 0 HB3 LEU A 68 10.526 7.348 10.651 1.00 72.04 H new ATOM 0 HG LEU A 68 13.286 6.533 9.703 1.00 11.51 H new ATOM 0 HD11 LEU A 68 12.218 4.450 8.939 1.00 21.12 H new ATOM 0 HD12 LEU A 68 12.147 4.618 10.709 1.00 21.12 H new ATOM 0 HD13 LEU A 68 10.700 4.945 9.726 1.00 21.12 H new ATOM 0 HD21 LEU A 68 12.198 6.448 7.493 1.00 30.03 H new ATOM 0 HD22 LEU A 68 10.680 7.022 8.223 1.00 30.03 H new ATOM 0 HD23 LEU A 68 12.114 8.076 8.208 1.00 30.03 H new ATOM 1125 N ASN A 69 12.014 10.411 9.188 1.00 64.11 N ATOM 1126 CA ASN A 69 11.357 11.355 8.292 1.00 23.42 C ATOM 1127 C ASN A 69 11.709 11.059 6.837 1.00 50.41 C ATOM 1128 O ASN A 69 12.428 11.823 6.194 1.00 2.42 O ATOM 1129 CB ASN A 69 11.759 12.789 8.645 1.00 32.42 C ATOM 1130 CG ASN A 69 11.707 13.053 10.137 1.00 72.20 C ATOM 1131 OD1 ASN A 69 10.962 12.401 10.869 1.00 31.44 O ATOM 1132 ND2 ASN A 69 12.501 14.013 10.596 1.00 74.03 N ATOM 0 H ASN A 69 13.028 10.371 9.087 1.00 64.11 H new ATOM 0 HA ASN A 69 10.280 11.246 8.416 1.00 23.42 H new ATOM 0 HB2 ASN A 69 12.768 12.981 8.280 1.00 32.42 H new ATOM 0 HB3 ASN A 69 11.096 13.486 8.132 1.00 32.42 H new ATOM 0 HD21 ASN A 69 12.510 14.235 11.591 1.00 74.03 H new ATOM 0 HD22 ASN A 69 13.102 14.528 9.953 1.00 74.03 H new ATOM 1139 N ASN A 70 11.196 9.946 6.324 1.00 2.24 N ATOM 1140 CA ASN A 70 11.456 9.549 4.945 1.00 11.04 C ATOM 1141 C ASN A 70 10.152 9.256 4.208 1.00 52.42 C ATOM 1142 O ASN A 70 10.126 8.475 3.258 1.00 30.31 O ATOM 1143 CB ASN A 70 12.362 8.318 4.909 1.00 44.31 C ATOM 1144 CG ASN A 70 13.827 8.672 5.089 1.00 31.31 C ATOM 1145 OD1 ASN A 70 14.143 9.330 6.198 1.00 11.13 O flip ATOM 1146 ND2 ASN A 70 14.662 8.358 4.240 1.00 24.24 N flip ATOM 0 H ASN A 70 10.598 9.303 6.842 1.00 2.24 H new ATOM 0 HA ASN A 70 11.958 10.376 4.444 1.00 11.04 H new ATOM 0 HB2 ASN A 70 12.060 7.625 5.694 1.00 44.31 H new ATOM 0 HB3 ASN A 70 12.230 7.801 3.959 1.00 44.31 H new ATOM 0 HD21 ASN A 70 14.373 7.852 3.403 1.00 24.24 H new ATOM 0 HD22 ASN A 70 15.643 8.604 4.374 1.00 24.24 H new ATOM 1153 N CYS A 71 9.073 9.890 4.653 1.00 51.03 N ATOM 1154 CA CYS A 71 7.765 9.700 4.037 1.00 24.44 C ATOM 1155 C CYS A 71 7.135 11.040 3.671 1.00 55.51 C ATOM 1156 O CYS A 71 7.309 12.034 4.378 1.00 61.43 O ATOM 1157 CB CYS A 71 6.840 8.931 4.982 1.00 21.33 C ATOM 1158 SG CYS A 71 6.327 9.875 6.453 1.00 54.40 S ATOM 0 H CYS A 71 9.078 10.540 5.439 1.00 51.03 H new ATOM 0 HA CYS A 71 7.903 9.122 3.123 1.00 24.44 H new ATOM 0 HB2 CYS A 71 5.950 8.624 4.432 1.00 21.33 H new ATOM 0 HB3 CYS A 71 7.344 8.021 5.306 1.00 21.33 H new ATOM 1163 N HIS A 72 6.402 11.061 2.563 1.00 63.41 N ATOM 1164 CA HIS A 72 5.745 12.279 2.103 1.00 72.41 C ATOM 1165 C HIS A 72 4.250 12.047 1.902 1.00 52.52 C ATOM 1166 O HIS A 72 3.828 10.955 1.521 1.00 73.01 O ATOM 1167 CB HIS A 72 6.378 12.764 0.799 1.00 73.23 C ATOM 1168 CG HIS A 72 7.839 12.455 0.691 1.00 62.43 C ATOM 1169 ND1 HIS A 72 8.778 13.385 0.296 1.00 51.01 N ATOM 1170 CD2 HIS A 72 8.523 11.312 0.930 1.00 60.40 C ATOM 1171 CE1 HIS A 72 9.975 12.826 0.297 1.00 52.35 C ATOM 1172 NE2 HIS A 72 9.848 11.568 0.678 1.00 41.43 N ATOM 0 H HIS A 72 6.248 10.248 1.967 1.00 63.41 H new ATOM 0 HA HIS A 72 5.876 13.044 2.868 1.00 72.41 H new ATOM 0 HB2 HIS A 72 5.855 12.307 -0.041 1.00 73.23 H new ATOM 0 HB3 HIS A 72 6.236 13.841 0.714 1.00 73.23 H new ATOM 0 HD1 HIS A 72 8.579 14.353 0.043 1.00 51.01 H new ATOM 0 HD2 HIS A 72 8.104 10.372 1.258 1.00 60.40 H new ATOM 0 HE1 HIS A 72 10.901 13.315 0.031 1.00 52.35 H new ATOM 1181 N ARG A 73 3.456 13.081 2.160 1.00 54.11 N ATOM 1182 CA ARG A 73 2.009 12.989 2.009 1.00 61.50 C ATOM 1183 C ARG A 73 1.574 13.472 0.628 1.00 21.04 C ATOM 1184 O ARG A 73 2.079 14.475 0.123 1.00 22.43 O ATOM 1185 CB ARG A 73 1.308 13.811 3.093 1.00 64.13 C ATOM 1186 CG ARG A 73 -0.185 13.543 3.191 1.00 25.33 C ATOM 1187 CD ARG A 73 -0.914 14.693 3.867 1.00 71.14 C ATOM 1188 NE ARG A 73 -0.759 15.946 3.132 1.00 0.14 N ATOM 1189 CZ ARG A 73 -1.560 16.994 3.289 1.00 2.14 C ATOM 1190 NH1 ARG A 73 -2.566 16.940 4.150 1.00 30.55 N ATOM 1191 NH2 ARG A 73 -1.355 18.099 2.585 1.00 43.24 N ATOM 0 H ARG A 73 3.790 13.992 2.475 1.00 54.11 H new ATOM 0 HA ARG A 73 1.724 11.942 2.115 1.00 61.50 H new ATOM 0 HB2 ARG A 73 1.771 13.596 4.056 1.00 64.13 H new ATOM 0 HB3 ARG A 73 1.466 14.871 2.893 1.00 64.13 H new ATOM 0 HG2 ARG A 73 -0.594 13.388 2.193 1.00 25.33 H new ATOM 0 HG3 ARG A 73 -0.355 12.624 3.751 1.00 25.33 H new ATOM 0 HD2 ARG A 73 -1.973 14.451 3.952 1.00 71.14 H new ATOM 0 HD3 ARG A 73 -0.533 14.818 4.881 1.00 71.14 H new ATOM 0 HE ARG A 73 0.006 16.020 2.462 1.00 0.14 H new ATOM 0 HH11 ARG A 73 -2.727 16.092 4.694 1.00 30.55 H new ATOM 0 HH12 ARG A 73 -3.180 17.746 4.269 1.00 30.55 H new ATOM 0 HH21 ARG A 73 -0.581 18.145 1.922 1.00 43.24 H new ATOM 0 HH22 ARG A 73 -1.971 18.903 2.707 1.00 43.24 H new ATOM 1205 N SER A 74 0.636 12.751 0.023 1.00 11.45 N ATOM 1206 CA SER A 74 0.137 13.104 -1.301 1.00 31.45 C ATOM 1207 C SER A 74 -0.432 14.519 -1.308 1.00 50.34 C ATOM 1208 O SER A 74 -1.089 14.942 -0.356 1.00 71.21 O ATOM 1209 CB SER A 74 -0.937 12.109 -1.745 1.00 50.34 C ATOM 1210 OG SER A 74 -2.065 12.159 -0.889 1.00 73.32 O ATOM 0 H SER A 74 0.206 11.919 0.428 1.00 11.45 H new ATOM 0 HA SER A 74 0.972 13.064 -2.000 1.00 31.45 H new ATOM 0 HB2 SER A 74 -1.243 12.331 -2.767 1.00 50.34 H new ATOM 0 HB3 SER A 74 -0.524 11.100 -1.748 1.00 50.34 H new ATOM 0 HG SER A 74 -2.842 11.777 -1.349 1.00 73.32 H new ATOM 1216 N ARG A 75 -0.173 15.249 -2.389 1.00 51.51 N ATOM 1217 CA ARG A 75 -0.656 16.617 -2.520 1.00 54.41 C ATOM 1218 C ARG A 75 -2.170 16.644 -2.714 1.00 65.11 C ATOM 1219 O ARG A 75 -2.876 17.415 -2.065 1.00 31.34 O ATOM 1220 CB ARG A 75 0.031 17.313 -3.697 1.00 11.50 C ATOM 1221 CG ARG A 75 -0.434 16.815 -5.055 1.00 72.31 C ATOM 1222 CD ARG A 75 0.291 17.525 -6.187 1.00 62.25 C ATOM 1223 NE ARG A 75 0.045 16.889 -7.479 1.00 2.24 N ATOM 1224 CZ ARG A 75 0.625 17.273 -8.610 1.00 53.52 C ATOM 1225 NH1 ARG A 75 1.480 18.287 -8.610 1.00 0.43 N ATOM 1226 NH2 ARG A 75 0.350 16.645 -9.746 1.00 34.22 N ATOM 0 H ARG A 75 0.369 14.915 -3.186 1.00 51.51 H new ATOM 0 HA ARG A 75 -0.415 17.149 -1.600 1.00 54.41 H new ATOM 0 HB2 ARG A 75 -0.152 18.386 -3.631 1.00 11.50 H new ATOM 0 HB3 ARG A 75 1.108 17.168 -3.616 1.00 11.50 H new ATOM 0 HG2 ARG A 75 -0.262 15.741 -5.128 1.00 72.31 H new ATOM 0 HG3 ARG A 75 -1.508 16.973 -5.154 1.00 72.31 H new ATOM 0 HD2 ARG A 75 -0.032 18.565 -6.228 1.00 62.25 H new ATOM 0 HD3 ARG A 75 1.362 17.531 -5.984 1.00 62.25 H new ATOM 0 HE ARG A 75 -0.609 16.107 -7.514 1.00 2.24 H new ATOM 0 HH11 ARG A 75 1.694 18.774 -7.740 1.00 0.43 H new ATOM 0 HH12 ARG A 75 1.924 18.580 -9.480 1.00 0.43 H new ATOM 0 HH21 ARG A 75 -0.308 15.866 -9.752 1.00 34.22 H new ATOM 0 HH22 ARG A 75 0.797 16.942 -10.614 1.00 34.22 H new ATOM 1240 N PHE A 76 -2.661 15.795 -3.612 1.00 12.23 N ATOM 1241 CA PHE A 76 -4.090 15.722 -3.892 1.00 30.52 C ATOM 1242 C PHE A 76 -4.717 14.512 -3.205 1.00 72.35 C ATOM 1243 O PHE A 76 -4.072 13.478 -3.035 1.00 41.30 O ATOM 1244 CB PHE A 76 -4.332 15.648 -5.401 1.00 51.11 C ATOM 1245 CG PHE A 76 -4.384 16.994 -6.067 1.00 24.34 C ATOM 1246 CD1 PHE A 76 -5.505 17.799 -5.943 1.00 70.25 C ATOM 1247 CD2 PHE A 76 -3.313 17.452 -6.817 1.00 32.05 C ATOM 1248 CE1 PHE A 76 -5.556 19.038 -6.554 1.00 73.01 C ATOM 1249 CE2 PHE A 76 -3.359 18.691 -7.429 1.00 63.24 C ATOM 1250 CZ PHE A 76 -4.482 19.484 -7.298 1.00 71.34 C ATOM 0 H PHE A 76 -2.090 15.149 -4.157 1.00 12.23 H new ATOM 0 HA PHE A 76 -4.559 16.624 -3.500 1.00 30.52 H new ATOM 0 HB2 PHE A 76 -3.540 15.055 -5.859 1.00 51.11 H new ATOM 0 HB3 PHE A 76 -5.270 15.124 -5.585 1.00 51.11 H new ATOM 0 HD1 PHE A 76 -6.348 17.455 -5.363 1.00 70.25 H new ATOM 0 HD2 PHE A 76 -2.433 16.835 -6.925 1.00 32.05 H new ATOM 0 HE1 PHE A 76 -6.435 19.656 -6.449 1.00 73.01 H new ATOM 0 HE2 PHE A 76 -2.517 19.038 -8.009 1.00 63.24 H new ATOM 0 HZ PHE A 76 -4.520 20.451 -7.777 1.00 71.34 H new ATOM 1260 N ARG A 77 -5.980 14.651 -2.813 1.00 4.00 N ATOM 1261 CA ARG A 77 -6.694 13.571 -2.143 1.00 13.02 C ATOM 1262 C ARG A 77 -7.143 12.513 -3.145 1.00 63.41 C ATOM 1263 O ARG A 77 -7.201 12.767 -4.349 1.00 20.42 O ATOM 1264 CB ARG A 77 -7.907 14.123 -1.391 1.00 42.43 C ATOM 1265 CG ARG A 77 -7.555 15.196 -0.372 1.00 65.44 C ATOM 1266 CD ARG A 77 -7.752 16.592 -0.942 1.00 73.31 C ATOM 1267 NE ARG A 77 -6.517 17.135 -1.499 1.00 44.51 N ATOM 1268 CZ ARG A 77 -6.347 18.418 -1.796 1.00 43.54 C ATOM 1269 NH1 ARG A 77 -7.328 19.285 -1.589 1.00 51.44 N ATOM 1270 NH2 ARG A 77 -5.193 18.837 -2.300 1.00 61.15 N ATOM 0 H ARG A 77 -6.529 15.500 -2.948 1.00 4.00 H new ATOM 0 HA ARG A 77 -6.013 13.106 -1.430 1.00 13.02 H new ATOM 0 HB2 ARG A 77 -8.614 14.535 -2.111 1.00 42.43 H new ATOM 0 HB3 ARG A 77 -8.413 13.302 -0.882 1.00 42.43 H new ATOM 0 HG2 ARG A 77 -8.175 15.074 0.516 1.00 65.44 H new ATOM 0 HG3 ARG A 77 -6.519 15.074 -0.056 1.00 65.44 H new ATOM 0 HD2 ARG A 77 -8.517 16.562 -1.718 1.00 73.31 H new ATOM 0 HD3 ARG A 77 -8.118 17.255 -0.158 1.00 73.31 H new ATOM 0 HE ARG A 77 -5.742 16.494 -1.669 1.00 44.51 H new ATOM 0 HH11 ARG A 77 -8.216 18.967 -1.201 1.00 51.44 H new ATOM 0 HH12 ARG A 77 -7.195 20.270 -1.818 1.00 51.44 H new ATOM 0 HH21 ARG A 77 -4.435 18.173 -2.460 1.00 61.15 H new ATOM 0 HH22 ARG A 77 -5.064 19.823 -2.528 1.00 61.15 H new ATOM 1284 N VAL A 78 -7.460 11.324 -2.641 1.00 20.41 N ATOM 1285 CA VAL A 78 -7.904 10.227 -3.492 1.00 34.44 C ATOM 1286 C VAL A 78 -8.716 9.210 -2.697 1.00 75.32 C ATOM 1287 O VAL A 78 -8.492 8.992 -1.507 1.00 1.12 O ATOM 1288 CB VAL A 78 -6.711 9.511 -4.153 1.00 74.33 C ATOM 1289 CG1 VAL A 78 -5.643 10.515 -4.557 1.00 42.22 C ATOM 1290 CG2 VAL A 78 -6.138 8.457 -3.219 1.00 32.15 C ATOM 0 H VAL A 78 -7.417 11.096 -1.648 1.00 20.41 H new ATOM 0 HA VAL A 78 -8.532 10.663 -4.269 1.00 34.44 H new ATOM 0 HB VAL A 78 -7.064 9.010 -5.054 1.00 74.33 H new ATOM 0 HG11 VAL A 78 -4.808 9.991 -5.022 1.00 42.22 H new ATOM 0 HG12 VAL A 78 -6.064 11.228 -5.266 1.00 42.22 H new ATOM 0 HG13 VAL A 78 -5.290 11.047 -3.673 1.00 42.22 H new ATOM 0 HG21 VAL A 78 -5.296 7.961 -3.702 1.00 32.15 H new ATOM 0 HG22 VAL A 78 -5.799 8.932 -2.298 1.00 32.15 H new ATOM 0 HG23 VAL A 78 -6.907 7.721 -2.986 1.00 32.15 H new ATOM 1300 N PRO A 79 -9.684 8.570 -3.370 1.00 61.43 N ATOM 1301 CA PRO A 79 -10.549 7.563 -2.748 1.00 0.42 C ATOM 1302 C PRO A 79 -9.797 6.280 -2.413 1.00 24.15 C ATOM 1303 O PRO A 79 -9.539 5.453 -3.289 1.00 31.40 O ATOM 1304 CB PRO A 79 -11.611 7.297 -3.817 1.00 13.31 C ATOM 1305 CG PRO A 79 -10.948 7.648 -5.105 1.00 33.33 C ATOM 1306 CD PRO A 79 -10.007 8.778 -4.792 1.00 74.24 C ATOM 0 HA PRO A 79 -10.958 7.908 -1.799 1.00 0.42 H new ATOM 0 HB2 PRO A 79 -11.930 6.255 -3.807 1.00 13.31 H new ATOM 0 HB3 PRO A 79 -12.501 7.905 -3.651 1.00 13.31 H new ATOM 0 HG2 PRO A 79 -10.409 6.793 -5.512 1.00 33.33 H new ATOM 0 HG3 PRO A 79 -11.682 7.947 -5.853 1.00 33.33 H new ATOM 0 HD2 PRO A 79 -9.114 8.742 -5.416 1.00 74.24 H new ATOM 0 HD3 PRO A 79 -10.474 9.748 -4.960 1.00 74.24 H new ATOM 1314 N LEU A 80 -9.448 6.118 -1.141 1.00 44.05 N ATOM 1315 CA LEU A 80 -8.725 4.934 -0.691 1.00 14.13 C ATOM 1316 C LEU A 80 -9.689 3.878 -0.159 1.00 73.12 C ATOM 1317 O LEU A 80 -10.892 4.119 -0.048 1.00 75.51 O ATOM 1318 CB LEU A 80 -7.715 5.310 0.395 1.00 75.04 C ATOM 1319 CG LEU A 80 -8.278 6.052 1.608 1.00 34.30 C ATOM 1320 CD1 LEU A 80 -9.470 5.303 2.185 1.00 0.43 C ATOM 1321 CD2 LEU A 80 -7.201 6.241 2.665 1.00 21.20 C ATOM 0 H LEU A 80 -9.654 6.792 -0.403 1.00 44.05 H new ATOM 0 HA LEU A 80 -8.192 4.518 -1.546 1.00 14.13 H new ATOM 0 HB2 LEU A 80 -7.231 4.398 0.745 1.00 75.04 H new ATOM 0 HB3 LEU A 80 -6.940 5.929 -0.057 1.00 75.04 H new ATOM 0 HG LEU A 80 -8.616 7.036 1.284 1.00 34.30 H new ATOM 0 HD11 LEU A 80 -9.858 5.845 3.047 1.00 0.43 H new ATOM 0 HD12 LEU A 80 -10.249 5.221 1.428 1.00 0.43 H new ATOM 0 HD13 LEU A 80 -9.158 4.305 2.494 1.00 0.43 H new ATOM 0 HD21 LEU A 80 -7.620 6.771 3.521 1.00 21.20 H new ATOM 0 HD22 LEU A 80 -6.832 5.267 2.986 1.00 21.20 H new ATOM 0 HD23 LEU A 80 -6.378 6.821 2.247 1.00 21.20 H new ATOM 1333 N LEU A 81 -9.154 2.708 0.170 1.00 23.30 N ATOM 1334 CA LEU A 81 -9.966 1.614 0.692 1.00 30.10 C ATOM 1335 C LEU A 81 -9.341 1.027 1.954 1.00 34.30 C ATOM 1336 O LEU A 81 -8.118 0.944 2.074 1.00 34.02 O ATOM 1337 CB LEU A 81 -10.128 0.522 -0.366 1.00 2.32 C ATOM 1338 CG LEU A 81 -11.443 -0.258 -0.331 1.00 45.33 C ATOM 1339 CD1 LEU A 81 -11.556 -1.056 0.958 1.00 43.42 C ATOM 1340 CD2 LEU A 81 -12.627 0.687 -0.482 1.00 1.20 C ATOM 0 H LEU A 81 -8.161 2.492 0.085 1.00 23.30 H new ATOM 0 HA LEU A 81 -10.948 2.013 0.946 1.00 30.10 H new ATOM 0 HB2 LEU A 81 -10.027 0.980 -1.350 1.00 2.32 H new ATOM 0 HB3 LEU A 81 -9.306 -0.186 -0.257 1.00 2.32 H new ATOM 0 HG LEU A 81 -11.452 -0.956 -1.168 1.00 45.33 H new ATOM 0 HD11 LEU A 81 -12.498 -1.604 0.965 1.00 43.42 H new ATOM 0 HD12 LEU A 81 -10.726 -1.759 1.024 1.00 43.42 H new ATOM 0 HD13 LEU A 81 -11.525 -0.377 1.810 1.00 43.42 H new ATOM 0 HD21 LEU A 81 -13.555 0.115 -0.455 1.00 1.20 H new ATOM 0 HD22 LEU A 81 -12.622 1.410 0.334 1.00 1.20 H new ATOM 0 HD23 LEU A 81 -12.553 1.214 -1.433 1.00 1.20 H new ATOM 1352 N HIS A 82 -10.190 0.618 2.893 1.00 41.24 N ATOM 1353 CA HIS A 82 -9.722 0.036 4.145 1.00 25.00 C ATOM 1354 C HIS A 82 -10.095 -1.441 4.230 1.00 11.45 C ATOM 1355 O HIS A 82 -11.259 -1.808 4.068 1.00 64.51 O ATOM 1356 CB HIS A 82 -10.311 0.793 5.337 1.00 64.35 C ATOM 1357 CG HIS A 82 -9.461 1.936 5.799 1.00 55.33 C ATOM 1358 ND1 HIS A 82 -9.110 2.127 7.118 1.00 2.22 N ATOM 1359 CD2 HIS A 82 -8.891 2.951 5.108 1.00 55.43 C ATOM 1360 CE1 HIS A 82 -8.362 3.212 7.219 1.00 2.13 C ATOM 1361 NE2 HIS A 82 -8.214 3.730 6.014 1.00 3.11 N ATOM 0 H HIS A 82 -11.205 0.679 2.810 1.00 41.24 H new ATOM 0 HA HIS A 82 -8.636 0.121 4.172 1.00 25.00 H new ATOM 0 HB2 HIS A 82 -11.297 1.170 5.066 1.00 64.35 H new ATOM 0 HB3 HIS A 82 -10.452 0.098 6.165 1.00 64.35 H new ATOM 0 HD2 HIS A 82 -8.956 3.117 4.043 1.00 55.43 H new ATOM 0 HE1 HIS A 82 -7.943 3.608 8.132 1.00 2.13 H new ATOM 0 HE2 HIS A 82 -7.683 4.572 5.792 1.00 3.11 H new ATOM 1370 N CYS A 83 -9.100 -2.285 4.486 1.00 42.42 N ATOM 1371 CA CYS A 83 -9.323 -3.722 4.592 1.00 52.44 C ATOM 1372 C CYS A 83 -8.630 -4.289 5.826 1.00 21.13 C ATOM 1373 O CYS A 83 -7.559 -4.890 5.729 1.00 21.43 O ATOM 1374 CB CYS A 83 -8.814 -4.430 3.335 1.00 25.53 C ATOM 1375 SG CYS A 83 -9.845 -4.159 1.858 1.00 4.42 S ATOM 0 H CYS A 83 -8.131 -1.998 4.624 1.00 42.42 H new ATOM 0 HA CYS A 83 -10.395 -3.894 4.689 1.00 52.44 H new ATOM 0 HB2 CYS A 83 -7.800 -4.089 3.125 1.00 25.53 H new ATOM 0 HB3 CYS A 83 -8.756 -5.500 3.533 1.00 25.53 H new ATOM 1380 N ASP A 84 -9.248 -4.096 6.987 1.00 44.12 N ATOM 1381 CA ASP A 84 -8.692 -4.590 8.241 1.00 10.12 C ATOM 1382 C ASP A 84 -9.152 -6.019 8.514 1.00 64.22 C ATOM 1383 O ASP A 84 -10.349 -6.307 8.521 1.00 73.13 O ATOM 1384 CB ASP A 84 -9.102 -3.679 9.399 1.00 62.12 C ATOM 1385 CG ASP A 84 -9.210 -4.427 10.714 1.00 34.20 C ATOM 1386 OD1 ASP A 84 -8.210 -5.052 11.125 1.00 63.30 O ATOM 1387 OD2 ASP A 84 -10.294 -4.387 11.331 1.00 11.22 O ATOM 0 H ASP A 84 -10.134 -3.601 7.085 1.00 44.12 H new ATOM 0 HA ASP A 84 -7.605 -4.588 8.154 1.00 10.12 H new ATOM 0 HB2 ASP A 84 -8.373 -2.875 9.501 1.00 62.12 H new ATOM 0 HB3 ASP A 84 -10.060 -3.213 9.169 1.00 62.12 H new ATOM 1392 N LEU A 85 -8.193 -6.911 8.737 1.00 2.40 N ATOM 1393 CA LEU A 85 -8.498 -8.311 9.009 1.00 13.42 C ATOM 1394 C LEU A 85 -9.574 -8.435 10.083 1.00 74.14 C ATOM 1395 O LEU A 85 -9.346 -8.102 11.245 1.00 4.25 O ATOM 1396 CB LEU A 85 -7.235 -9.053 9.450 1.00 62.14 C ATOM 1397 CG LEU A 85 -7.237 -10.567 9.237 1.00 60.41 C ATOM 1398 CD1 LEU A 85 -7.198 -10.898 7.752 1.00 34.25 C ATOM 1399 CD2 LEU A 85 -6.062 -11.209 9.959 1.00 71.15 C ATOM 0 H LEU A 85 -7.197 -6.689 8.735 1.00 2.40 H new ATOM 0 HA LEU A 85 -8.874 -8.760 8.090 1.00 13.42 H new ATOM 0 HB2 LEU A 85 -6.385 -8.632 8.914 1.00 62.14 H new ATOM 0 HB3 LEU A 85 -7.073 -8.856 10.510 1.00 62.14 H new ATOM 0 HG LEU A 85 -8.159 -10.972 9.654 1.00 60.41 H new ATOM 0 HD11 LEU A 85 -7.200 -11.980 7.620 1.00 34.25 H new ATOM 0 HD12 LEU A 85 -8.072 -10.471 7.261 1.00 34.25 H new ATOM 0 HD13 LEU A 85 -6.294 -10.480 7.310 1.00 34.25 H new ATOM 0 HD21 LEU A 85 -6.080 -12.287 9.796 1.00 71.15 H new ATOM 0 HD22 LEU A 85 -5.129 -10.799 9.572 1.00 71.15 H new ATOM 0 HD23 LEU A 85 -6.134 -11.002 11.027 1.00 71.15 H new ATOM 1411 N ILE A 86 -10.747 -8.917 9.685 1.00 13.11 N ATOM 1412 CA ILE A 86 -11.857 -9.087 10.614 1.00 23.10 C ATOM 1413 C ILE A 86 -11.663 -10.327 11.481 1.00 54.00 C ATOM 1414 O ILE A 86 -12.531 -10.681 12.277 1.00 63.43 O ATOM 1415 CB ILE A 86 -13.201 -9.200 9.870 1.00 53.22 C ATOM 1416 CG1 ILE A 86 -13.412 -7.985 8.965 1.00 50.54 C ATOM 1417 CG2 ILE A 86 -14.346 -9.332 10.863 1.00 23.11 C ATOM 1418 CD1 ILE A 86 -14.593 -8.124 8.031 1.00 20.22 C ATOM 0 H ILE A 86 -10.953 -9.196 8.726 1.00 13.11 H new ATOM 0 HA ILE A 86 -11.876 -8.201 11.249 1.00 23.10 H new ATOM 0 HB ILE A 86 -13.180 -10.094 9.247 1.00 53.22 H new ATOM 0 HG12 ILE A 86 -13.552 -7.100 9.586 1.00 50.54 H new ATOM 0 HG13 ILE A 86 -12.510 -7.821 8.375 1.00 50.54 H new ATOM 0 HG21 ILE A 86 -15.289 -9.411 10.322 1.00 23.11 H new ATOM 0 HG22 ILE A 86 -14.200 -10.225 11.470 1.00 23.11 H new ATOM 0 HG23 ILE A 86 -14.370 -8.454 11.509 1.00 23.11 H new ATOM 0 HD11 ILE A 86 -14.681 -7.226 7.420 1.00 20.22 H new ATOM 0 HD12 ILE A 86 -14.446 -8.989 7.385 1.00 20.22 H new ATOM 0 HD13 ILE A 86 -15.504 -8.257 8.614 1.00 20.22 H new ATOM 1430 N ASN A 87 -10.516 -10.979 11.322 1.00 23.43 N ATOM 1431 CA ASN A 87 -10.207 -12.179 12.091 1.00 11.33 C ATOM 1432 C ASN A 87 -8.863 -12.039 12.800 1.00 41.31 C ATOM 1433 O ASN A 87 -7.835 -12.535 12.337 1.00 41.50 O ATOM 1434 CB ASN A 87 -10.189 -13.405 11.177 1.00 21.53 C ATOM 1435 CG ASN A 87 -9.741 -13.070 9.768 1.00 62.14 C ATOM 1436 OD1 ASN A 87 -10.460 -12.414 9.015 1.00 32.10 O ATOM 1437 ND2 ASN A 87 -8.545 -13.521 9.404 1.00 33.11 N ATOM 0 H ASN A 87 -9.786 -10.697 10.668 1.00 23.43 H new ATOM 0 HA ASN A 87 -10.984 -12.308 12.845 1.00 11.33 H new ATOM 0 HB2 ASN A 87 -9.523 -14.158 11.598 1.00 21.53 H new ATOM 0 HB3 ASN A 87 -11.186 -13.844 11.143 1.00 21.53 H new ATOM 0 HD21 ASN A 87 -8.190 -13.327 8.468 1.00 33.11 H new ATOM 0 HD22 ASN A 87 -7.982 -14.061 10.061 1.00 33.11 H new ATOM 1444 N PRO A 88 -8.870 -11.349 13.950 1.00 23.35 N ATOM 1445 CA PRO A 88 -7.660 -11.129 14.748 1.00 1.32 C ATOM 1446 C PRO A 88 -7.157 -12.411 15.405 1.00 55.12 C ATOM 1447 O PRO A 88 -7.830 -12.985 16.260 1.00 65.23 O ATOM 1448 CB PRO A 88 -8.113 -10.125 15.811 1.00 74.54 C ATOM 1449 CG PRO A 88 -9.583 -10.340 15.932 1.00 10.10 C ATOM 1450 CD PRO A 88 -10.058 -10.732 14.561 1.00 54.44 C ATOM 0 HA PRO A 88 -6.828 -10.778 14.138 1.00 1.32 H new ATOM 0 HB2 PRO A 88 -7.608 -10.299 16.761 1.00 74.54 H new ATOM 0 HB3 PRO A 88 -7.886 -9.102 15.512 1.00 74.54 H new ATOM 0 HG2 PRO A 88 -9.805 -11.121 16.660 1.00 10.10 H new ATOM 0 HG3 PRO A 88 -10.083 -9.434 16.274 1.00 10.10 H new ATOM 0 HD2 PRO A 88 -10.893 -11.431 14.610 1.00 54.44 H new ATOM 0 HD3 PRO A 88 -10.399 -9.867 13.992 1.00 54.44 H new ATOM 1458 N GLY A 89 -5.971 -12.852 15.000 1.00 31.22 N ATOM 1459 CA GLY A 89 -5.399 -14.063 15.562 1.00 71.12 C ATOM 1460 C GLY A 89 -5.469 -15.235 14.603 1.00 60.22 C ATOM 1461 O GLY A 89 -4.929 -16.305 14.880 1.00 4.40 O ATOM 0 H GLY A 89 -5.396 -12.394 14.293 1.00 31.22 H new ATOM 0 HA2 GLY A 89 -4.359 -13.879 15.831 1.00 71.12 H new ATOM 0 HA3 GLY A 89 -5.926 -14.318 16.482 1.00 71.12 H new ATOM 1465 N ALA A 90 -6.137 -15.034 13.473 1.00 74.13 N ATOM 1466 CA ALA A 90 -6.276 -16.083 12.470 1.00 51.53 C ATOM 1467 C ALA A 90 -5.473 -15.753 11.216 1.00 71.32 C ATOM 1468 O ALA A 90 -5.473 -14.613 10.751 1.00 65.32 O ATOM 1469 CB ALA A 90 -7.743 -16.289 12.120 1.00 0.24 C ATOM 0 H ALA A 90 -6.591 -14.154 13.228 1.00 74.13 H new ATOM 0 HA ALA A 90 -5.881 -17.008 12.891 1.00 51.53 H new ATOM 0 HB1 ALA A 90 -7.831 -17.075 11.370 1.00 0.24 H new ATOM 0 HB2 ALA A 90 -8.294 -16.578 13.015 1.00 0.24 H new ATOM 0 HB3 ALA A 90 -8.156 -15.361 11.724 1.00 0.24 H new ATOM 1475 N GLN A 91 -4.790 -16.757 10.675 1.00 75.24 N ATOM 1476 CA GLN A 91 -3.982 -16.572 9.476 1.00 53.14 C ATOM 1477 C GLN A 91 -4.297 -17.643 8.437 1.00 24.31 C ATOM 1478 O GLN A 91 -3.457 -18.489 8.129 1.00 51.35 O ATOM 1479 CB GLN A 91 -2.495 -16.607 9.827 1.00 5.35 C ATOM 1480 CG GLN A 91 -1.988 -15.320 10.458 1.00 21.32 C ATOM 1481 CD GLN A 91 -2.511 -15.115 11.866 1.00 13.31 C ATOM 1482 OE1 GLN A 91 -3.485 -14.391 12.079 1.00 70.53 O ATOM 1483 NE2 GLN A 91 -1.867 -15.752 12.837 1.00 50.54 N ATOM 0 H GLN A 91 -4.780 -17.706 11.048 1.00 75.24 H new ATOM 0 HA GLN A 91 -4.225 -15.598 9.052 1.00 53.14 H new ATOM 0 HB2 GLN A 91 -2.311 -17.435 10.512 1.00 5.35 H new ATOM 0 HB3 GLN A 91 -1.921 -16.809 8.922 1.00 5.35 H new ATOM 0 HG2 GLN A 91 -0.898 -15.334 10.478 1.00 21.32 H new ATOM 0 HG3 GLN A 91 -2.285 -14.474 9.838 1.00 21.32 H new ATOM 0 HE21 GLN A 91 -1.065 -16.342 12.616 1.00 50.54 H new ATOM 0 HE22 GLN A 91 -2.175 -15.652 13.804 1.00 50.54 H new ATOM 1492 N ASN A 92 -5.512 -17.602 7.900 1.00 51.14 N ATOM 1493 CA ASN A 92 -5.938 -18.569 6.896 1.00 63.54 C ATOM 1494 C ASN A 92 -6.435 -17.865 5.637 1.00 21.20 C ATOM 1495 O ASN A 92 -7.557 -17.361 5.598 1.00 1.00 O ATOM 1496 CB ASN A 92 -7.040 -19.469 7.459 1.00 41.31 C ATOM 1497 CG ASN A 92 -8.187 -18.675 8.054 1.00 64.35 C ATOM 1498 OD1 ASN A 92 -9.125 -18.299 7.351 1.00 33.43 O ATOM 1499 ND2 ASN A 92 -8.116 -18.415 9.353 1.00 3.14 N ATOM 0 H ASN A 92 -6.219 -16.909 8.144 1.00 51.14 H new ATOM 0 HA ASN A 92 -5.077 -19.182 6.631 1.00 63.54 H new ATOM 0 HB2 ASN A 92 -7.420 -20.113 6.666 1.00 41.31 H new ATOM 0 HB3 ASN A 92 -6.618 -20.121 8.224 1.00 41.31 H new ATOM 0 HD21 ASN A 92 -8.858 -17.883 9.808 1.00 3.14 H new ATOM 0 HD22 ASN A 92 -7.319 -18.747 9.897 1.00 3.14 H new ATOM 1506 N ILE A 93 -5.591 -17.835 4.610 1.00 32.23 N ATOM 1507 CA ILE A 93 -5.946 -17.194 3.350 1.00 32.51 C ATOM 1508 C ILE A 93 -7.189 -17.834 2.739 1.00 44.32 C ATOM 1509 O ILE A 93 -7.758 -17.314 1.779 1.00 65.05 O ATOM 1510 CB ILE A 93 -4.790 -17.271 2.335 1.00 74.41 C ATOM 1511 CG1 ILE A 93 -4.120 -18.646 2.395 1.00 0.30 C ATOM 1512 CG2 ILE A 93 -3.776 -16.170 2.602 1.00 11.44 C ATOM 1513 CD1 ILE A 93 -3.218 -18.931 1.215 1.00 73.52 C ATOM 0 H ILE A 93 -4.658 -18.247 4.626 1.00 32.23 H new ATOM 0 HA ILE A 93 -6.152 -16.148 3.574 1.00 32.51 H new ATOM 0 HB ILE A 93 -5.196 -17.129 1.333 1.00 74.41 H new ATOM 0 HG12 ILE A 93 -3.537 -18.717 3.313 1.00 0.30 H new ATOM 0 HG13 ILE A 93 -4.891 -19.415 2.447 1.00 0.30 H new ATOM 0 HG21 ILE A 93 -2.965 -16.238 1.876 1.00 11.44 H new ATOM 0 HG22 ILE A 93 -4.262 -15.198 2.513 1.00 11.44 H new ATOM 0 HG23 ILE A 93 -3.373 -16.283 3.608 1.00 11.44 H new ATOM 0 HD11 ILE A 93 -2.778 -19.922 1.325 1.00 73.52 H new ATOM 0 HD12 ILE A 93 -3.800 -18.893 0.294 1.00 73.52 H new ATOM 0 HD13 ILE A 93 -2.425 -18.184 1.174 1.00 73.52 H new ATOM 1525 N SER A 94 -7.604 -18.963 3.302 1.00 35.14 N ATOM 1526 CA SER A 94 -8.779 -19.674 2.811 1.00 24.20 C ATOM 1527 C SER A 94 -10.060 -19.048 3.353 1.00 5.42 C ATOM 1528 O SER A 94 -11.058 -18.938 2.644 1.00 32.32 O ATOM 1529 CB SER A 94 -8.711 -21.151 3.210 1.00 51.51 C ATOM 1530 OG SER A 94 -7.912 -21.888 2.301 1.00 11.13 O ATOM 0 H SER A 94 -7.145 -19.406 4.098 1.00 35.14 H new ATOM 0 HA SER A 94 -8.791 -19.598 1.724 1.00 24.20 H new ATOM 0 HB2 SER A 94 -8.300 -21.241 4.216 1.00 51.51 H new ATOM 0 HB3 SER A 94 -9.717 -21.570 3.238 1.00 51.51 H new ATOM 0 HG SER A 94 -7.883 -22.827 2.578 1.00 11.13 H new ATOM 1536 N ASN A 95 -10.021 -18.639 4.617 1.00 34.03 N ATOM 1537 CA ASN A 95 -11.179 -18.023 5.256 1.00 4.14 C ATOM 1538 C ASN A 95 -10.788 -16.725 5.955 1.00 53.24 C ATOM 1539 O ASN A 95 -11.233 -16.447 7.069 1.00 23.11 O ATOM 1540 CB ASN A 95 -11.804 -18.989 6.265 1.00 13.42 C ATOM 1541 CG ASN A 95 -12.671 -20.039 5.599 1.00 31.32 C ATOM 1542 OD1 ASN A 95 -13.338 -19.767 4.600 1.00 32.31 O ATOM 1543 ND2 ASN A 95 -12.667 -21.248 6.150 1.00 13.42 N ATOM 0 H ASN A 95 -9.202 -18.723 5.219 1.00 34.03 H new ATOM 0 HA ASN A 95 -11.910 -17.792 4.481 1.00 4.14 H new ATOM 0 HB2 ASN A 95 -11.013 -19.481 6.831 1.00 13.42 H new ATOM 0 HB3 ASN A 95 -12.404 -18.426 6.979 1.00 13.42 H new ATOM 0 HD21 ASN A 95 -13.232 -21.995 5.745 1.00 13.42 H new ATOM 0 HD22 ASN A 95 -12.099 -21.429 6.978 1.00 13.42 H new ATOM 1550 N CYS A 96 -9.953 -15.930 5.292 1.00 72.43 N ATOM 1551 CA CYS A 96 -9.502 -14.660 5.847 1.00 32.40 C ATOM 1552 C CYS A 96 -10.493 -13.545 5.529 1.00 54.13 C ATOM 1553 O CYS A 96 -10.553 -13.055 4.401 1.00 61.41 O ATOM 1554 CB CYS A 96 -8.120 -14.302 5.296 1.00 53.30 C ATOM 1555 SG CYS A 96 -6.739 -14.796 6.375 1.00 23.13 S ATOM 0 H CYS A 96 -9.575 -16.144 4.369 1.00 72.43 H new ATOM 0 HA CYS A 96 -9.438 -14.767 6.930 1.00 32.40 H new ATOM 0 HB2 CYS A 96 -7.994 -14.777 4.323 1.00 53.30 H new ATOM 0 HB3 CYS A 96 -8.073 -13.225 5.134 1.00 53.30 H new ATOM 1560 N ARG A 97 -11.270 -13.147 6.532 1.00 34.33 N ATOM 1561 CA ARG A 97 -12.259 -12.091 6.360 1.00 75.02 C ATOM 1562 C ARG A 97 -11.611 -10.714 6.474 1.00 2.01 C ATOM 1563 O ARG A 97 -10.572 -10.558 7.117 1.00 3.32 O ATOM 1564 CB ARG A 97 -13.373 -12.230 7.400 1.00 4.22 C ATOM 1565 CG ARG A 97 -14.086 -13.571 7.353 1.00 50.32 C ATOM 1566 CD ARG A 97 -15.513 -13.461 7.869 1.00 4.14 C ATOM 1567 NE ARG A 97 -16.126 -14.772 8.063 1.00 32.15 N ATOM 1568 CZ ARG A 97 -15.792 -15.603 9.046 1.00 54.25 C ATOM 1569 NH1 ARG A 97 -14.855 -15.259 9.919 1.00 71.34 N ATOM 1570 NH2 ARG A 97 -16.396 -16.778 9.157 1.00 60.30 N ATOM 0 H ARG A 97 -11.233 -13.541 7.472 1.00 34.33 H new ATOM 0 HA ARG A 97 -12.688 -12.190 5.363 1.00 75.02 H new ATOM 0 HB2 ARG A 97 -12.950 -12.088 8.394 1.00 4.22 H new ATOM 0 HB3 ARG A 97 -14.102 -11.435 7.247 1.00 4.22 H new ATOM 0 HG2 ARG A 97 -14.096 -13.943 6.329 1.00 50.32 H new ATOM 0 HG3 ARG A 97 -13.536 -14.298 7.951 1.00 50.32 H new ATOM 0 HD2 ARG A 97 -15.516 -12.916 8.813 1.00 4.14 H new ATOM 0 HD3 ARG A 97 -16.110 -12.882 7.164 1.00 4.14 H new ATOM 0 HE ARG A 97 -16.851 -15.067 7.408 1.00 32.15 H new ATOM 0 HH11 ARG A 97 -14.389 -14.355 9.837 1.00 71.34 H new ATOM 0 HH12 ARG A 97 -14.600 -15.898 10.672 1.00 71.34 H new ATOM 0 HH21 ARG A 97 -17.118 -17.046 8.488 1.00 60.30 H new ATOM 0 HH22 ARG A 97 -16.139 -17.414 9.911 1.00 60.30 H new ATOM 1584 N TYR A 98 -12.230 -9.721 5.847 1.00 2.53 N ATOM 1585 CA TYR A 98 -11.711 -8.358 5.876 1.00 42.22 C ATOM 1586 C TYR A 98 -12.850 -7.343 5.902 1.00 43.42 C ATOM 1587 O TYR A 98 -13.942 -7.606 5.403 1.00 74.45 O ATOM 1588 CB TYR A 98 -10.814 -8.105 4.663 1.00 1.11 C ATOM 1589 CG TYR A 98 -9.432 -8.703 4.796 1.00 12.32 C ATOM 1590 CD1 TYR A 98 -8.518 -8.192 5.710 1.00 34.35 C ATOM 1591 CD2 TYR A 98 -9.039 -9.778 4.010 1.00 73.35 C ATOM 1592 CE1 TYR A 98 -7.254 -8.735 5.835 1.00 1.31 C ATOM 1593 CE2 TYR A 98 -7.778 -10.328 4.129 1.00 64.13 C ATOM 1594 CZ TYR A 98 -6.889 -9.803 5.042 1.00 10.54 C ATOM 1595 OH TYR A 98 -5.631 -10.347 5.164 1.00 43.25 O ATOM 0 H TYR A 98 -13.091 -9.833 5.312 1.00 2.53 H new ATOM 0 HA TYR A 98 -11.122 -8.239 6.785 1.00 42.22 H new ATOM 0 HB2 TYR A 98 -11.294 -8.515 3.775 1.00 1.11 H new ATOM 0 HB3 TYR A 98 -10.722 -7.030 4.508 1.00 1.11 H new ATOM 0 HD1 TYR A 98 -8.801 -7.356 6.333 1.00 34.35 H new ATOM 0 HD2 TYR A 98 -9.732 -10.192 3.292 1.00 73.35 H new ATOM 0 HE1 TYR A 98 -6.555 -8.326 6.550 1.00 1.31 H new ATOM 0 HE2 TYR A 98 -7.490 -11.165 3.510 1.00 64.13 H new ATOM 0 HH TYR A 98 -5.130 -9.861 5.852 1.00 43.25 H new ATOM 1605 N ALA A 99 -12.582 -6.179 6.487 1.00 31.34 N ATOM 1606 CA ALA A 99 -13.582 -5.122 6.576 1.00 31.21 C ATOM 1607 C ALA A 99 -13.336 -4.044 5.526 1.00 62.34 C ATOM 1608 O ALA A 99 -12.324 -3.345 5.566 1.00 63.25 O ATOM 1609 CB ALA A 99 -13.582 -4.513 7.971 1.00 52.13 C ATOM 0 H ALA A 99 -11.682 -5.945 6.906 1.00 31.34 H new ATOM 0 HA ALA A 99 -14.560 -5.563 6.383 1.00 31.21 H new ATOM 0 HB1 ALA A 99 -14.333 -3.725 8.024 1.00 52.13 H new ATOM 0 HB2 ALA A 99 -13.813 -5.285 8.705 1.00 52.13 H new ATOM 0 HB3 ALA A 99 -12.599 -4.092 8.184 1.00 52.13 H new ATOM 1615 N ASP A 100 -14.268 -3.916 4.587 1.00 1.01 N ATOM 1616 CA ASP A 100 -14.152 -2.923 3.526 1.00 0.31 C ATOM 1617 C ASP A 100 -14.777 -1.598 3.951 1.00 31.11 C ATOM 1618 O ASP A 100 -15.919 -1.559 4.409 1.00 15.51 O ATOM 1619 CB ASP A 100 -14.822 -3.430 2.248 1.00 72.52 C ATOM 1620 CG ASP A 100 -14.522 -4.892 1.978 1.00 1.22 C ATOM 1621 OD1 ASP A 100 -14.575 -5.694 2.933 1.00 31.15 O ATOM 1622 OD2 ASP A 100 -14.234 -5.234 0.812 1.00 2.40 O ATOM 0 H ASP A 100 -15.112 -4.487 4.540 1.00 1.01 H new ATOM 0 HA ASP A 100 -13.092 -2.758 3.331 1.00 0.31 H new ATOM 0 HB2 ASP A 100 -15.900 -3.292 2.327 1.00 72.52 H new ATOM 0 HB3 ASP A 100 -14.485 -2.831 1.402 1.00 72.52 H new ATOM 1627 N ARG A 101 -14.021 -0.516 3.797 1.00 71.21 N ATOM 1628 CA ARG A 101 -14.501 0.810 4.166 1.00 44.11 C ATOM 1629 C ARG A 101 -13.864 1.883 3.288 1.00 42.33 C ATOM 1630 O ARG A 101 -12.694 2.234 3.443 1.00 64.20 O ATOM 1631 CB ARG A 101 -14.195 1.094 5.638 1.00 23.41 C ATOM 1632 CG ARG A 101 -14.970 2.272 6.205 1.00 30.35 C ATOM 1633 CD ARG A 101 -14.206 3.576 6.035 1.00 5.14 C ATOM 1634 NE ARG A 101 -14.889 4.698 6.672 1.00 14.45 N ATOM 1635 CZ ARG A 101 -16.003 5.245 6.198 1.00 40.44 C ATOM 1636 NH1 ARG A 101 -16.555 4.776 5.088 1.00 22.42 N ATOM 1637 NH2 ARG A 101 -16.566 6.264 6.834 1.00 43.44 N ATOM 0 H ARG A 101 -13.074 -0.532 3.419 1.00 71.21 H new ATOM 0 HA ARG A 101 -15.580 0.834 4.014 1.00 44.11 H new ATOM 0 HB2 ARG A 101 -14.422 0.204 6.226 1.00 23.41 H new ATOM 0 HB3 ARG A 101 -13.128 1.285 5.748 1.00 23.41 H new ATOM 0 HG2 ARG A 101 -15.936 2.347 5.706 1.00 30.35 H new ATOM 0 HG3 ARG A 101 -15.170 2.102 7.263 1.00 30.35 H new ATOM 0 HD2 ARG A 101 -13.208 3.470 6.461 1.00 5.14 H new ATOM 0 HD3 ARG A 101 -14.078 3.785 4.973 1.00 5.14 H new ATOM 0 HE ARG A 101 -14.489 5.083 7.528 1.00 14.45 H new ATOM 0 HH11 ARG A 101 -16.124 3.993 4.596 1.00 22.42 H new ATOM 0 HH12 ARG A 101 -17.410 5.198 4.726 1.00 22.42 H new ATOM 0 HH21 ARG A 101 -16.144 6.628 7.688 1.00 43.44 H new ATOM 0 HH22 ARG A 101 -17.421 6.683 6.469 1.00 43.44 H new ATOM 1651 N PRO A 102 -14.651 2.417 2.342 1.00 43.31 N ATOM 1652 CA PRO A 102 -14.185 3.458 1.421 1.00 72.35 C ATOM 1653 C PRO A 102 -13.955 4.792 2.120 1.00 10.54 C ATOM 1654 O PRO A 102 -14.491 5.038 3.200 1.00 12.35 O ATOM 1655 CB PRO A 102 -15.329 3.574 0.411 1.00 55.04 C ATOM 1656 CG PRO A 102 -16.536 3.108 1.149 1.00 52.42 C ATOM 1657 CD PRO A 102 -16.055 2.048 2.100 1.00 72.50 C ATOM 0 HA PRO A 102 -13.225 3.205 0.972 1.00 72.35 H new ATOM 0 HB2 PRO A 102 -15.449 4.601 0.065 1.00 55.04 H new ATOM 0 HB3 PRO A 102 -15.143 2.960 -0.470 1.00 55.04 H new ATOM 0 HG2 PRO A 102 -17.006 3.931 1.687 1.00 52.42 H new ATOM 0 HG3 PRO A 102 -17.283 2.708 0.463 1.00 52.42 H new ATOM 0 HD2 PRO A 102 -16.634 2.044 3.023 1.00 72.50 H new ATOM 0 HD3 PRO A 102 -16.139 1.051 1.667 1.00 72.50 H new ATOM 1665 N GLY A 103 -13.153 5.652 1.499 1.00 34.40 N ATOM 1666 CA GLY A 103 -12.867 6.951 2.078 1.00 50.34 C ATOM 1667 C GLY A 103 -12.013 7.815 1.170 1.00 53.02 C ATOM 1668 O GLY A 103 -11.416 7.321 0.214 1.00 61.24 O ATOM 0 H GLY A 103 -12.696 5.472 0.605 1.00 34.40 H new ATOM 0 HA2 GLY A 103 -13.804 7.466 2.288 1.00 50.34 H new ATOM 0 HA3 GLY A 103 -12.357 6.816 3.032 1.00 50.34 H new ATOM 1672 N ARG A 104 -11.958 9.109 1.468 1.00 31.11 N ATOM 1673 CA ARG A 104 -11.175 10.044 0.670 1.00 72.22 C ATOM 1674 C ARG A 104 -10.162 10.786 1.537 1.00 21.25 C ATOM 1675 O ARG A 104 -10.529 11.642 2.343 1.00 72.21 O ATOM 1676 CB ARG A 104 -12.095 11.047 -0.029 1.00 20.40 C ATOM 1677 CG ARG A 104 -11.358 12.028 -0.925 1.00 41.15 C ATOM 1678 CD ARG A 104 -12.280 12.622 -1.978 1.00 72.31 C ATOM 1679 NE ARG A 104 -11.616 13.656 -2.769 1.00 20.44 N ATOM 1680 CZ ARG A 104 -11.277 14.845 -2.286 1.00 1.23 C ATOM 1681 NH1 ARG A 104 -11.538 15.151 -1.022 1.00 23.51 N ATOM 1682 NH2 ARG A 104 -10.674 15.732 -3.067 1.00 11.25 N ATOM 0 H ARG A 104 -12.447 9.533 2.256 1.00 31.11 H new ATOM 0 HA ARG A 104 -10.633 9.472 -0.083 1.00 72.22 H new ATOM 0 HB2 ARG A 104 -12.826 10.502 -0.626 1.00 20.40 H new ATOM 0 HB3 ARG A 104 -12.651 11.604 0.725 1.00 20.40 H new ATOM 0 HG2 ARG A 104 -10.933 12.828 -0.319 1.00 41.15 H new ATOM 0 HG3 ARG A 104 -10.525 11.522 -1.413 1.00 41.15 H new ATOM 0 HD2 ARG A 104 -12.632 11.830 -2.639 1.00 72.31 H new ATOM 0 HD3 ARG A 104 -13.159 13.046 -1.492 1.00 72.31 H new ATOM 0 HE ARG A 104 -11.401 13.453 -3.745 1.00 20.44 H new ATOM 0 HH11 ARG A 104 -12.001 14.472 -0.418 1.00 23.51 H new ATOM 0 HH12 ARG A 104 -11.276 16.066 -0.654 1.00 23.51 H new ATOM 0 HH21 ARG A 104 -10.471 15.500 -4.039 1.00 11.25 H new ATOM 0 HH22 ARG A 104 -10.414 16.645 -2.695 1.00 11.25 H new ATOM 1696 N ARG A 105 -8.888 10.449 1.369 1.00 13.42 N ATOM 1697 CA ARG A 105 -7.823 11.082 2.138 1.00 24.43 C ATOM 1698 C ARG A 105 -6.461 10.808 1.507 1.00 4.44 C ATOM 1699 O ARG A 105 -6.337 9.978 0.607 1.00 74.10 O ATOM 1700 CB ARG A 105 -7.838 10.575 3.582 1.00 55.22 C ATOM 1701 CG ARG A 105 -8.702 11.413 4.512 1.00 61.52 C ATOM 1702 CD ARG A 105 -8.369 11.149 5.971 1.00 31.32 C ATOM 1703 NE ARG A 105 -8.601 12.323 6.807 1.00 41.00 N ATOM 1704 CZ ARG A 105 -8.179 12.427 8.062 1.00 31.44 C ATOM 1705 NH1 ARG A 105 -7.507 11.431 8.623 1.00 13.03 N ATOM 1706 NH2 ARG A 105 -8.430 13.528 8.759 1.00 23.31 N ATOM 0 H ARG A 105 -8.568 9.742 0.708 1.00 13.42 H new ATOM 0 HA ARG A 105 -7.997 12.158 2.135 1.00 24.43 H new ATOM 0 HB2 ARG A 105 -8.198 9.546 3.593 1.00 55.22 H new ATOM 0 HB3 ARG A 105 -6.817 10.560 3.964 1.00 55.22 H new ATOM 0 HG2 ARG A 105 -8.557 12.470 4.290 1.00 61.52 H new ATOM 0 HG3 ARG A 105 -9.754 11.191 4.332 1.00 61.52 H new ATOM 0 HD2 ARG A 105 -8.974 10.319 6.336 1.00 31.32 H new ATOM 0 HD3 ARG A 105 -7.326 10.845 6.055 1.00 31.32 H new ATOM 0 HE ARG A 105 -9.116 13.107 6.405 1.00 41.00 H new ATOM 0 HH11 ARG A 105 -7.313 10.583 8.091 1.00 13.03 H new ATOM 0 HH12 ARG A 105 -7.184 11.513 9.587 1.00 13.03 H new ATOM 0 HH21 ARG A 105 -8.948 14.296 8.331 1.00 23.31 H new ATOM 0 HH22 ARG A 105 -8.105 13.607 9.723 1.00 23.31 H new ATOM 1720 N PHE A 106 -5.441 11.513 1.986 1.00 43.44 N ATOM 1721 CA PHE A 106 -4.087 11.349 1.467 1.00 13.31 C ATOM 1722 C PHE A 106 -3.471 10.043 1.960 1.00 11.34 C ATOM 1723 O PHE A 106 -4.135 9.239 2.615 1.00 74.43 O ATOM 1724 CB PHE A 106 -3.211 12.530 1.887 1.00 43.15 C ATOM 1725 CG PHE A 106 -3.856 13.867 1.658 1.00 72.32 C ATOM 1726 CD1 PHE A 106 -3.703 14.528 0.449 1.00 32.42 C ATOM 1727 CD2 PHE A 106 -4.616 14.464 2.651 1.00 5.14 C ATOM 1728 CE1 PHE A 106 -4.296 15.758 0.235 1.00 71.40 C ATOM 1729 CE2 PHE A 106 -5.212 15.694 2.443 1.00 63.21 C ATOM 1730 CZ PHE A 106 -5.051 16.342 1.234 1.00 61.23 C ATOM 0 H PHE A 106 -5.526 12.203 2.732 1.00 43.44 H new ATOM 0 HA PHE A 106 -4.143 11.316 0.379 1.00 13.31 H new ATOM 0 HB2 PHE A 106 -2.964 12.431 2.944 1.00 43.15 H new ATOM 0 HB3 PHE A 106 -2.272 12.490 1.335 1.00 43.15 H new ATOM 0 HD1 PHE A 106 -3.113 14.076 -0.335 1.00 32.42 H new ATOM 0 HD2 PHE A 106 -4.744 13.962 3.599 1.00 5.14 H new ATOM 0 HE1 PHE A 106 -4.169 16.262 -0.712 1.00 71.40 H new ATOM 0 HE2 PHE A 106 -5.803 16.148 3.225 1.00 63.21 H new ATOM 0 HZ PHE A 106 -5.514 17.304 1.070 1.00 61.23 H new ATOM 1740 N TYR A 107 -2.198 9.839 1.642 1.00 14.32 N ATOM 1741 CA TYR A 107 -1.492 8.631 2.051 1.00 43.13 C ATOM 1742 C TYR A 107 0.000 8.901 2.219 1.00 52.42 C ATOM 1743 O TYR A 107 0.632 9.519 1.362 1.00 61.42 O ATOM 1744 CB TYR A 107 -1.707 7.519 1.023 1.00 64.50 C ATOM 1745 CG TYR A 107 -1.418 7.944 -0.400 1.00 14.22 C ATOM 1746 CD1 TYR A 107 -0.113 8.111 -0.845 1.00 4.14 C ATOM 1747 CD2 TYR A 107 -2.452 8.180 -1.298 1.00 11.43 C ATOM 1748 CE1 TYR A 107 0.155 8.501 -2.143 1.00 72.40 C ATOM 1749 CE2 TYR A 107 -2.194 8.569 -2.597 1.00 60.24 C ATOM 1750 CZ TYR A 107 -0.889 8.728 -3.015 1.00 23.31 C ATOM 1751 OH TYR A 107 -0.628 9.116 -4.309 1.00 45.32 O ATOM 0 H TYR A 107 -1.634 10.495 1.102 1.00 14.32 H new ATOM 0 HA TYR A 107 -1.895 8.313 3.013 1.00 43.13 H new ATOM 0 HB2 TYR A 107 -1.069 6.673 1.277 1.00 64.50 H new ATOM 0 HB3 TYR A 107 -2.738 7.171 1.087 1.00 64.50 H new ATOM 0 HD1 TYR A 107 0.707 7.933 -0.165 1.00 4.14 H new ATOM 0 HD2 TYR A 107 -3.475 8.057 -0.974 1.00 11.43 H new ATOM 0 HE1 TYR A 107 1.176 8.627 -2.473 1.00 72.40 H new ATOM 0 HE2 TYR A 107 -3.009 8.748 -3.282 1.00 60.24 H new ATOM 0 HH TYR A 107 -1.473 9.233 -4.792 1.00 45.32 H new ATOM 1761 N VAL A 108 0.557 8.436 3.332 1.00 31.53 N ATOM 1762 CA VAL A 108 1.975 8.625 3.616 1.00 41.05 C ATOM 1763 C VAL A 108 2.774 7.368 3.289 1.00 35.32 C ATOM 1764 O VAL A 108 2.738 6.387 4.033 1.00 71.25 O ATOM 1765 CB VAL A 108 2.207 8.999 5.091 1.00 40.40 C ATOM 1766 CG1 VAL A 108 3.681 8.876 5.447 1.00 40.44 C ATOM 1767 CG2 VAL A 108 1.698 10.406 5.370 1.00 63.11 C ATOM 0 H VAL A 108 0.048 7.925 4.053 1.00 31.53 H new ATOM 0 HA VAL A 108 2.318 9.444 2.984 1.00 41.05 H new ATOM 0 HB VAL A 108 1.647 8.304 5.717 1.00 40.40 H new ATOM 0 HG11 VAL A 108 3.826 9.144 6.493 1.00 40.44 H new ATOM 0 HG12 VAL A 108 4.010 7.849 5.287 1.00 40.44 H new ATOM 0 HG13 VAL A 108 4.265 9.546 4.816 1.00 40.44 H new ATOM 0 HG21 VAL A 108 1.870 10.654 6.417 1.00 63.11 H new ATOM 0 HG22 VAL A 108 2.229 11.117 4.737 1.00 63.11 H new ATOM 0 HG23 VAL A 108 0.630 10.456 5.156 1.00 63.11 H new ATOM 1777 N VAL A 109 3.493 7.404 2.173 1.00 62.33 N ATOM 1778 CA VAL A 109 4.303 6.268 1.748 1.00 52.40 C ATOM 1779 C VAL A 109 5.788 6.608 1.782 1.00 12.42 C ATOM 1780 O VAL A 109 6.198 7.688 1.358 1.00 22.14 O ATOM 1781 CB VAL A 109 3.925 5.811 0.326 1.00 24.34 C ATOM 1782 CG1 VAL A 109 2.456 6.091 0.046 1.00 2.42 C ATOM 1783 CG2 VAL A 109 4.812 6.491 -0.706 1.00 3.23 C ATOM 0 H VAL A 109 3.532 8.208 1.546 1.00 62.33 H new ATOM 0 HA VAL A 109 4.103 5.457 2.448 1.00 52.40 H new ATOM 0 HB VAL A 109 4.084 4.735 0.256 1.00 24.34 H new ATOM 0 HG11 VAL A 109 2.209 5.761 -0.963 1.00 2.42 H new ATOM 0 HG12 VAL A 109 1.839 5.552 0.765 1.00 2.42 H new ATOM 0 HG13 VAL A 109 2.266 7.161 0.135 1.00 2.42 H new ATOM 0 HG21 VAL A 109 4.531 6.156 -1.705 1.00 3.23 H new ATOM 0 HG22 VAL A 109 4.688 7.572 -0.637 1.00 3.23 H new ATOM 0 HG23 VAL A 109 5.854 6.233 -0.517 1.00 3.23 H new ATOM 1793 N ALA A 110 6.591 5.679 2.291 1.00 32.44 N ATOM 1794 CA ALA A 110 8.031 5.878 2.380 1.00 1.13 C ATOM 1795 C ALA A 110 8.725 5.445 1.093 1.00 3.40 C ATOM 1796 O ALA A 110 8.817 4.254 0.796 1.00 65.43 O ATOM 1797 CB ALA A 110 8.598 5.117 3.570 1.00 62.24 C ATOM 0 H ALA A 110 6.267 4.780 2.648 1.00 32.44 H new ATOM 0 HA ALA A 110 8.217 6.942 2.523 1.00 1.13 H new ATOM 0 HB1 ALA A 110 9.675 5.275 3.623 1.00 62.24 H new ATOM 0 HB2 ALA A 110 8.132 5.477 4.487 1.00 62.24 H new ATOM 0 HB3 ALA A 110 8.393 4.053 3.452 1.00 62.24 H new ATOM 1803 N CYS A 111 9.213 6.420 0.333 1.00 50.23 N ATOM 1804 CA CYS A 111 9.898 6.140 -0.924 1.00 1.32 C ATOM 1805 C CYS A 111 11.394 5.947 -0.695 1.00 62.04 C ATOM 1806 O CYS A 111 12.059 6.800 -0.105 1.00 73.13 O ATOM 1807 CB CYS A 111 9.666 7.278 -1.920 1.00 12.45 C ATOM 1808 SG CYS A 111 9.923 8.942 -1.223 1.00 3.13 S ATOM 0 H CYS A 111 9.147 7.411 0.566 1.00 50.23 H new ATOM 0 HA CYS A 111 9.488 5.217 -1.335 1.00 1.32 H new ATOM 0 HB2 CYS A 111 10.335 7.145 -2.770 1.00 12.45 H new ATOM 0 HB3 CYS A 111 8.648 7.209 -2.303 1.00 12.45 H new ATOM 1813 N ASP A 112 11.919 4.821 -1.167 1.00 12.41 N ATOM 1814 CA ASP A 112 13.337 4.517 -1.017 1.00 20.21 C ATOM 1815 C ASP A 112 13.946 4.095 -2.350 1.00 41.20 C ATOM 1816 O ASP A 112 13.232 3.740 -3.286 1.00 54.55 O ATOM 1817 CB ASP A 112 13.535 3.410 0.021 1.00 51.34 C ATOM 1818 CG ASP A 112 14.892 3.482 0.691 1.00 12.24 C ATOM 1819 OD1 ASP A 112 15.095 4.390 1.524 1.00 40.24 O ATOM 1820 OD2 ASP A 112 15.752 2.630 0.384 1.00 60.10 O ATOM 0 H ASP A 112 11.384 4.104 -1.657 1.00 12.41 H new ATOM 0 HA ASP A 112 13.843 5.420 -0.676 1.00 20.21 H new ATOM 0 HB2 ASP A 112 12.755 3.482 0.779 1.00 51.34 H new ATOM 0 HB3 ASP A 112 13.422 2.439 -0.461 1.00 51.34 H new ATOM 1825 N ASN A 113 15.272 4.138 -2.429 1.00 1.40 N ATOM 1826 CA ASN A 113 15.979 3.763 -3.648 1.00 12.30 C ATOM 1827 C ASN A 113 15.575 2.363 -4.102 1.00 53.52 C ATOM 1828 O ASN A 113 15.602 1.415 -3.318 1.00 62.44 O ATOM 1829 CB ASN A 113 17.491 3.822 -3.425 1.00 51.45 C ATOM 1830 CG ASN A 113 18.009 5.245 -3.348 1.00 2.54 C ATOM 1831 OD1 ASN A 113 17.388 6.112 -2.731 1.00 61.45 O ATOM 1832 ND2 ASN A 113 19.153 5.493 -3.974 1.00 50.03 N ATOM 0 H ASN A 113 15.879 4.429 -1.663 1.00 1.40 H new ATOM 0 HA ASN A 113 15.706 4.473 -4.429 1.00 12.30 H new ATOM 0 HB2 ASN A 113 17.740 3.297 -2.503 1.00 51.45 H new ATOM 0 HB3 ASN A 113 17.996 3.298 -4.236 1.00 51.45 H new ATOM 0 HD21 ASN A 113 19.551 6.432 -3.956 1.00 50.03 H new ATOM 0 HD22 ASN A 113 19.634 4.745 -4.473 1.00 50.03 H new ATOM 1839 N ARG A 114 15.201 2.245 -5.372 1.00 2.35 N ATOM 1840 CA ARG A 114 14.790 0.962 -5.931 1.00 2.45 C ATOM 1841 C ARG A 114 15.763 0.504 -7.013 1.00 15.00 C ATOM 1842 O ARG A 114 16.710 1.215 -7.352 1.00 44.30 O ATOM 1843 CB ARG A 114 13.378 1.061 -6.507 1.00 71.03 C ATOM 1844 CG ARG A 114 13.220 2.159 -7.547 1.00 32.22 C ATOM 1845 CD ARG A 114 13.482 1.637 -8.951 1.00 11.41 C ATOM 1846 NE ARG A 114 13.818 2.713 -9.880 1.00 74.12 N ATOM 1847 CZ ARG A 114 15.057 3.138 -10.096 1.00 24.24 C ATOM 1848 NH1 ARG A 114 16.074 2.581 -9.451 1.00 50.40 N ATOM 1849 NH2 ARG A 114 15.283 4.123 -10.957 1.00 25.54 N ATOM 0 H ARG A 114 15.174 3.021 -6.033 1.00 2.35 H new ATOM 0 HA ARG A 114 14.795 0.226 -5.127 1.00 2.45 H new ATOM 0 HB2 ARG A 114 13.110 0.105 -6.957 1.00 71.03 H new ATOM 0 HB3 ARG A 114 12.674 1.239 -5.694 1.00 71.03 H new ATOM 0 HG2 ARG A 114 12.212 2.571 -7.493 1.00 32.22 H new ATOM 0 HG3 ARG A 114 13.910 2.974 -7.326 1.00 32.22 H new ATOM 0 HD2 ARG A 114 14.297 0.914 -8.923 1.00 11.41 H new ATOM 0 HD3 ARG A 114 12.600 1.108 -9.312 1.00 11.41 H new ATOM 0 HE ARG A 114 13.058 3.163 -10.391 1.00 74.12 H new ATOM 0 HH11 ARG A 114 15.905 1.825 -8.788 1.00 50.40 H new ATOM 0 HH12 ARG A 114 17.025 2.909 -9.618 1.00 50.40 H new ATOM 0 HH21 ARG A 114 14.504 4.555 -11.454 1.00 25.54 H new ATOM 0 HH22 ARG A 114 16.236 4.448 -11.121 1.00 25.54 H new ATOM 1863 N ASP A 115 15.522 -0.685 -7.553 1.00 4.40 N ATOM 1864 CA ASP A 115 16.376 -1.238 -8.599 1.00 3.44 C ATOM 1865 C ASP A 115 15.935 -0.749 -9.975 1.00 43.20 C ATOM 1866 O ASP A 115 14.750 -0.736 -10.306 1.00 15.23 O ATOM 1867 CB ASP A 115 16.349 -2.766 -8.554 1.00 23.32 C ATOM 1868 CG ASP A 115 17.657 -3.382 -9.009 1.00 44.33 C ATOM 1869 OD1 ASP A 115 17.939 -3.347 -10.226 1.00 54.22 O ATOM 1870 OD2 ASP A 115 18.402 -3.897 -8.149 1.00 73.41 O ATOM 0 H ASP A 115 14.742 -1.285 -7.284 1.00 4.40 H new ATOM 0 HA ASP A 115 17.395 -0.895 -8.421 1.00 3.44 H new ATOM 0 HB2 ASP A 115 16.131 -3.093 -7.537 1.00 23.32 H new ATOM 0 HB3 ASP A 115 15.540 -3.131 -9.186 1.00 23.32 H new ATOM 1875 N PRO A 116 16.911 -0.335 -10.797 1.00 33.43 N ATOM 1876 CA PRO A 116 16.648 0.163 -12.150 1.00 75.41 C ATOM 1877 C PRO A 116 16.185 -0.942 -13.095 1.00 1.10 C ATOM 1878 O PRO A 116 15.993 -0.710 -14.288 1.00 53.25 O ATOM 1879 CB PRO A 116 18.005 0.714 -12.595 1.00 50.10 C ATOM 1880 CG PRO A 116 19.004 -0.045 -11.792 1.00 63.43 C ATOM 1881 CD PRO A 116 18.347 -0.323 -10.468 1.00 72.25 C ATOM 0 HA PRO A 116 15.847 0.902 -12.164 1.00 75.41 H new ATOM 0 HB2 PRO A 116 18.161 0.566 -13.664 1.00 50.10 H new ATOM 0 HB3 PRO A 116 18.078 1.785 -12.408 1.00 50.10 H new ATOM 0 HG2 PRO A 116 19.283 -0.973 -12.292 1.00 63.43 H new ATOM 0 HG3 PRO A 116 19.919 0.533 -11.660 1.00 63.43 H new ATOM 0 HD2 PRO A 116 18.672 -1.276 -10.050 1.00 72.25 H new ATOM 0 HD3 PRO A 116 18.585 0.445 -9.732 1.00 72.25 H new ATOM 1889 N ARG A 117 16.009 -2.142 -12.552 1.00 30.30 N ATOM 1890 CA ARG A 117 15.570 -3.283 -13.347 1.00 51.24 C ATOM 1891 C ARG A 117 14.054 -3.439 -13.283 1.00 53.44 C ATOM 1892 O ARG A 117 13.470 -4.238 -14.016 1.00 4.35 O ATOM 1893 CB ARG A 117 16.246 -4.565 -12.857 1.00 51.43 C ATOM 1894 CG ARG A 117 15.687 -5.083 -11.543 1.00 43.00 C ATOM 1895 CD ARG A 117 15.781 -6.599 -11.458 1.00 35.13 C ATOM 1896 NE ARG A 117 15.933 -7.062 -10.081 1.00 53.44 N ATOM 1897 CZ ARG A 117 16.012 -8.343 -9.741 1.00 31.35 C ATOM 1898 NH1 ARG A 117 15.954 -9.284 -10.672 1.00 65.20 N ATOM 1899 NH2 ARG A 117 16.150 -8.685 -8.466 1.00 50.42 N ATOM 0 H ARG A 117 16.164 -2.350 -11.565 1.00 30.30 H new ATOM 0 HA ARG A 117 15.857 -3.103 -14.383 1.00 51.24 H new ATOM 0 HB2 ARG A 117 16.137 -5.337 -13.618 1.00 51.43 H new ATOM 0 HB3 ARG A 117 17.314 -4.381 -12.741 1.00 51.43 H new ATOM 0 HG2 ARG A 117 16.233 -4.636 -10.712 1.00 43.00 H new ATOM 0 HG3 ARG A 117 14.646 -4.775 -11.442 1.00 43.00 H new ATOM 0 HD2 ARG A 117 14.885 -7.043 -11.893 1.00 35.13 H new ATOM 0 HD3 ARG A 117 16.628 -6.944 -12.052 1.00 35.13 H new ATOM 0 HE ARG A 117 15.981 -6.363 -9.340 1.00 53.44 H new ATOM 0 HH11 ARG A 117 15.848 -9.025 -11.653 1.00 65.20 H new ATOM 0 HH12 ARG A 117 16.015 -10.267 -10.408 1.00 65.20 H new ATOM 0 HH21 ARG A 117 16.195 -7.963 -7.746 1.00 50.42 H new ATOM 0 HH22 ARG A 117 16.211 -9.669 -8.206 1.00 50.42 H new ATOM 1913 N ASP A 118 13.422 -2.670 -12.403 1.00 22.34 N ATOM 1914 CA ASP A 118 11.973 -2.722 -12.243 1.00 45.30 C ATOM 1915 C ASP A 118 11.334 -1.398 -12.648 1.00 54.11 C ATOM 1916 O ASP A 118 10.359 -1.372 -13.399 1.00 22.32 O ATOM 1917 CB ASP A 118 11.610 -3.056 -10.795 1.00 24.34 C ATOM 1918 CG ASP A 118 11.479 -4.548 -10.561 1.00 33.23 C ATOM 1919 OD1 ASP A 118 12.513 -5.206 -10.324 1.00 24.52 O ATOM 1920 OD2 ASP A 118 10.340 -5.058 -10.613 1.00 31.43 O ATOM 0 H ASP A 118 13.890 -2.003 -11.789 1.00 22.34 H new ATOM 0 HA ASP A 118 11.588 -3.505 -12.896 1.00 45.30 H new ATOM 0 HB2 ASP A 118 12.373 -2.652 -10.130 1.00 24.34 H new ATOM 0 HB3 ASP A 118 10.671 -2.567 -10.537 1.00 24.34 H new ATOM 1925 N SER A 119 11.889 -0.300 -12.144 1.00 30.43 N ATOM 1926 CA SER A 119 11.369 1.028 -12.449 1.00 24.32 C ATOM 1927 C SER A 119 12.478 1.937 -12.971 1.00 13.42 C ATOM 1928 O SER A 119 13.166 2.619 -12.211 1.00 72.40 O ATOM 1929 CB SER A 119 10.730 1.647 -11.206 1.00 33.24 C ATOM 1930 OG SER A 119 9.709 2.563 -11.560 1.00 51.10 O ATOM 0 H SER A 119 12.698 -0.304 -11.523 1.00 30.43 H new ATOM 0 HA SER A 119 10.610 0.925 -13.225 1.00 24.32 H new ATOM 0 HB2 SER A 119 10.315 0.860 -10.577 1.00 33.24 H new ATOM 0 HB3 SER A 119 11.492 2.157 -10.617 1.00 33.24 H new ATOM 0 HG SER A 119 10.050 3.190 -12.232 1.00 51.10 H new ATOM 1936 N PRO A 120 12.655 1.950 -14.301 1.00 1.52 N ATOM 1937 CA PRO A 120 13.678 2.771 -14.956 1.00 14.53 C ATOM 1938 C PRO A 120 13.357 4.260 -14.886 1.00 53.42 C ATOM 1939 O PRO A 120 14.194 5.067 -14.482 1.00 41.32 O ATOM 1940 CB PRO A 120 13.647 2.285 -16.407 1.00 11.03 C ATOM 1941 CG PRO A 120 12.273 1.741 -16.596 1.00 11.31 C ATOM 1942 CD PRO A 120 11.870 1.163 -15.267 1.00 64.24 C ATOM 0 HA PRO A 120 14.652 2.667 -14.478 1.00 14.53 H new ATOM 0 HB2 PRO A 120 13.849 3.100 -17.102 1.00 11.03 H new ATOM 0 HB3 PRO A 120 14.403 1.520 -16.584 1.00 11.03 H new ATOM 0 HG2 PRO A 120 11.582 2.525 -16.906 1.00 11.31 H new ATOM 0 HG3 PRO A 120 12.259 0.978 -17.374 1.00 11.31 H new ATOM 0 HD2 PRO A 120 10.799 1.265 -15.092 1.00 64.24 H new ATOM 0 HD3 PRO A 120 12.103 0.100 -15.204 1.00 64.24 H new ATOM 1950 N ARG A 121 12.139 4.618 -15.281 1.00 10.14 N ATOM 1951 CA ARG A 121 11.708 6.011 -15.264 1.00 65.10 C ATOM 1952 C ARG A 121 11.685 6.555 -13.838 1.00 71.21 C ATOM 1953 O ARG A 121 12.366 7.532 -13.525 1.00 14.51 O ATOM 1954 CB ARG A 121 10.321 6.146 -15.895 1.00 40.14 C ATOM 1955 CG ARG A 121 9.285 5.211 -15.294 1.00 70.33 C ATOM 1956 CD ARG A 121 8.239 4.805 -16.320 1.00 10.31 C ATOM 1957 NE ARG A 121 8.776 3.879 -17.313 1.00 61.41 N ATOM 1958 CZ ARG A 121 8.220 3.671 -18.501 1.00 32.54 C ATOM 1959 NH1 ARG A 121 7.115 4.320 -18.843 1.00 10.11 N ATOM 1960 NH2 ARG A 121 8.768 2.812 -19.350 1.00 64.23 N ATOM 0 H ARG A 121 11.433 3.962 -15.617 1.00 10.14 H new ATOM 0 HA ARG A 121 12.422 6.593 -15.846 1.00 65.10 H new ATOM 0 HB2 ARG A 121 9.978 7.175 -15.782 1.00 40.14 H new ATOM 0 HB3 ARG A 121 10.397 5.951 -16.965 1.00 40.14 H new ATOM 0 HG2 ARG A 121 9.779 4.321 -14.905 1.00 70.33 H new ATOM 0 HG3 ARG A 121 8.798 5.700 -14.450 1.00 70.33 H new ATOM 0 HD2 ARG A 121 7.394 4.341 -15.812 1.00 10.31 H new ATOM 0 HD3 ARG A 121 7.860 5.695 -16.822 1.00 10.31 H new ATOM 0 HE ARG A 121 9.625 3.363 -17.081 1.00 61.41 H new ATOM 0 HH11 ARG A 121 6.690 4.981 -18.193 1.00 10.11 H new ATOM 0 HH12 ARG A 121 6.690 4.158 -19.756 1.00 10.11 H new ATOM 0 HH21 ARG A 121 9.617 2.310 -19.091 1.00 64.23 H new ATOM 0 HH22 ARG A 121 8.340 2.653 -20.262 1.00 64.23 H new ATOM 1974 N TYR A 122 10.897 5.917 -12.980 1.00 2.24 N ATOM 1975 CA TYR A 122 10.783 6.339 -11.589 1.00 42.55 C ATOM 1976 C TYR A 122 12.017 5.927 -10.791 1.00 31.51 C ATOM 1977 O TYR A 122 12.338 4.745 -10.663 1.00 34.24 O ATOM 1978 CB TYR A 122 9.527 5.740 -10.954 1.00 43.14 C ATOM 1979 CG TYR A 122 8.277 5.937 -11.782 1.00 10.11 C ATOM 1980 CD1 TYR A 122 7.618 7.160 -11.801 1.00 65.31 C ATOM 1981 CD2 TYR A 122 7.755 4.899 -12.545 1.00 43.21 C ATOM 1982 CE1 TYR A 122 6.475 7.344 -12.555 1.00 2.34 C ATOM 1983 CE2 TYR A 122 6.614 5.075 -13.304 1.00 4.32 C ATOM 1984 CZ TYR A 122 5.978 6.299 -13.305 1.00 35.34 C ATOM 1985 OH TYR A 122 4.841 6.478 -14.058 1.00 31.31 O ATOM 0 H TYR A 122 10.328 5.106 -13.223 1.00 2.24 H new ATOM 0 HA TYR A 122 10.708 7.426 -11.571 1.00 42.55 H new ATOM 0 HB2 TYR A 122 9.684 4.673 -10.796 1.00 43.14 H new ATOM 0 HB3 TYR A 122 9.377 6.189 -9.972 1.00 43.14 H new ATOM 0 HD1 TYR A 122 8.006 7.981 -11.216 1.00 65.31 H new ATOM 0 HD2 TYR A 122 8.250 3.939 -12.545 1.00 43.21 H new ATOM 0 HE1 TYR A 122 5.974 8.301 -12.557 1.00 2.34 H new ATOM 0 HE2 TYR A 122 6.222 4.259 -13.893 1.00 4.32 H new ATOM 0 HH TYR A 122 4.625 5.645 -14.527 1.00 31.31 H new ATOM 1995 N PRO A 123 12.725 6.924 -10.241 1.00 61.13 N ATOM 1996 CA PRO A 123 13.934 6.691 -9.446 1.00 2.12 C ATOM 1997 C PRO A 123 13.626 6.038 -8.103 1.00 3.30 C ATOM 1998 O PRO A 123 14.291 5.083 -7.698 1.00 52.54 O ATOM 1999 CB PRO A 123 14.500 8.098 -9.240 1.00 14.54 C ATOM 2000 CG PRO A 123 13.320 9.001 -9.354 1.00 70.31 C ATOM 2001 CD PRO A 123 12.400 8.356 -10.354 1.00 64.33 C ATOM 0 HA PRO A 123 14.624 6.009 -9.943 1.00 2.12 H new ATOM 0 HB2 PRO A 123 14.979 8.193 -8.266 1.00 14.54 H new ATOM 0 HB3 PRO A 123 15.254 8.335 -9.990 1.00 14.54 H new ATOM 0 HG2 PRO A 123 12.826 9.121 -8.390 1.00 70.31 H new ATOM 0 HG3 PRO A 123 13.620 9.995 -9.684 1.00 70.31 H new ATOM 0 HD2 PRO A 123 11.353 8.550 -10.121 1.00 64.33 H new ATOM 0 HD3 PRO A 123 12.577 8.730 -11.362 1.00 64.33 H new ATOM 2009 N VAL A 124 12.614 6.558 -7.414 1.00 62.55 N ATOM 2010 CA VAL A 124 12.218 6.024 -6.117 1.00 12.23 C ATOM 2011 C VAL A 124 10.808 5.445 -6.169 1.00 12.51 C ATOM 2012 O VAL A 124 10.023 5.773 -7.058 1.00 54.54 O ATOM 2013 CB VAL A 124 12.277 7.106 -5.023 1.00 41.45 C ATOM 2014 CG1 VAL A 124 10.975 7.891 -4.976 1.00 71.24 C ATOM 2015 CG2 VAL A 124 12.581 6.480 -3.670 1.00 22.21 C ATOM 0 H VAL A 124 12.054 7.349 -7.733 1.00 62.55 H new ATOM 0 HA VAL A 124 12.925 5.231 -5.871 1.00 12.23 H new ATOM 0 HB VAL A 124 13.082 7.799 -5.266 1.00 41.45 H new ATOM 0 HG11 VAL A 124 11.036 8.651 -4.197 1.00 71.24 H new ATOM 0 HG12 VAL A 124 10.805 8.372 -5.939 1.00 71.24 H new ATOM 0 HG13 VAL A 124 10.149 7.214 -4.758 1.00 71.24 H new ATOM 0 HG21 VAL A 124 12.619 7.259 -2.909 1.00 22.21 H new ATOM 0 HG22 VAL A 124 11.800 5.763 -3.417 1.00 22.21 H new ATOM 0 HG23 VAL A 124 13.542 5.968 -3.714 1.00 22.21 H new ATOM 2025 N VAL A 125 10.493 4.583 -5.208 1.00 10.44 N ATOM 2026 CA VAL A 125 9.177 3.959 -5.141 1.00 74.01 C ATOM 2027 C VAL A 125 8.768 3.689 -3.697 1.00 62.13 C ATOM 2028 O VAL A 125 9.604 3.572 -2.802 1.00 63.11 O ATOM 2029 CB VAL A 125 9.142 2.637 -5.930 1.00 73.12 C ATOM 2030 CG1 VAL A 125 9.036 2.908 -7.423 1.00 0.01 C ATOM 2031 CG2 VAL A 125 10.372 1.798 -5.618 1.00 3.42 C ATOM 0 H VAL A 125 11.132 4.301 -4.465 1.00 10.44 H new ATOM 0 HA VAL A 125 8.472 4.659 -5.589 1.00 74.01 H new ATOM 0 HB VAL A 125 8.260 2.075 -5.624 1.00 73.12 H new ATOM 0 HG11 VAL A 125 9.013 1.962 -7.964 1.00 0.01 H new ATOM 0 HG12 VAL A 125 8.122 3.466 -7.628 1.00 0.01 H new ATOM 0 HG13 VAL A 125 9.897 3.491 -7.749 1.00 0.01 H new ATOM 0 HG21 VAL A 125 10.331 0.867 -6.184 1.00 3.42 H new ATOM 0 HG22 VAL A 125 11.270 2.351 -5.894 1.00 3.42 H new ATOM 0 HG23 VAL A 125 10.398 1.573 -4.552 1.00 3.42 H new ATOM 2041 N PRO A 126 7.451 3.586 -3.464 1.00 65.44 N ATOM 2042 CA PRO A 126 6.902 3.326 -2.131 1.00 4.12 C ATOM 2043 C PRO A 126 7.198 1.910 -1.647 1.00 21.11 C ATOM 2044 O PRO A 126 6.976 0.938 -2.369 1.00 42.10 O ATOM 2045 CB PRO A 126 5.396 3.521 -2.324 1.00 1.13 C ATOM 2046 CG PRO A 126 5.160 3.249 -3.769 1.00 64.51 C ATOM 2047 CD PRO A 126 6.398 3.714 -4.485 1.00 60.15 C ATOM 0 HA PRO A 126 7.338 3.981 -1.376 1.00 4.12 H new ATOM 0 HB2 PRO A 126 4.825 2.839 -1.694 1.00 1.13 H new ATOM 0 HB3 PRO A 126 5.091 4.533 -2.057 1.00 1.13 H new ATOM 0 HG2 PRO A 126 4.984 2.187 -3.943 1.00 64.51 H new ATOM 0 HG3 PRO A 126 4.279 3.781 -4.127 1.00 64.51 H new ATOM 0 HD2 PRO A 126 6.610 3.100 -5.360 1.00 60.15 H new ATOM 0 HD3 PRO A 126 6.299 4.742 -4.833 1.00 60.15 H new ATOM 2055 N VAL A 127 7.700 1.802 -0.421 1.00 33.50 N ATOM 2056 CA VAL A 127 8.024 0.504 0.160 1.00 43.34 C ATOM 2057 C VAL A 127 7.394 0.346 1.539 1.00 21.54 C ATOM 2058 O VAL A 127 7.602 -0.662 2.217 1.00 42.35 O ATOM 2059 CB VAL A 127 9.548 0.308 0.278 1.00 22.31 C ATOM 2060 CG1 VAL A 127 10.156 0.020 -1.086 1.00 4.11 C ATOM 2061 CG2 VAL A 127 10.194 1.529 0.913 1.00 41.21 C ATOM 0 H VAL A 127 7.891 2.597 0.189 1.00 33.50 H new ATOM 0 HA VAL A 127 7.618 -0.254 -0.510 1.00 43.34 H new ATOM 0 HB VAL A 127 9.738 -0.551 0.922 1.00 22.31 H new ATOM 0 HG11 VAL A 127 11.233 -0.116 -0.983 1.00 4.11 H new ATOM 0 HG12 VAL A 127 9.714 -0.887 -1.497 1.00 4.11 H new ATOM 0 HG13 VAL A 127 9.958 0.856 -1.757 1.00 4.11 H new ATOM 0 HG21 VAL A 127 11.270 1.373 0.989 1.00 41.21 H new ATOM 0 HG22 VAL A 127 9.997 2.407 0.297 1.00 41.21 H new ATOM 0 HG23 VAL A 127 9.779 1.684 1.909 1.00 41.21 H new ATOM 2071 N HIS A 128 6.622 1.347 1.949 1.00 33.52 N ATOM 2072 CA HIS A 128 5.959 1.318 3.248 1.00 3.31 C ATOM 2073 C HIS A 128 4.862 2.376 3.321 1.00 2.12 C ATOM 2074 O HIS A 128 5.003 3.472 2.776 1.00 21.22 O ATOM 2075 CB HIS A 128 6.976 1.543 4.367 1.00 30.24 C ATOM 2076 CG HIS A 128 6.367 2.061 5.634 1.00 1.11 C ATOM 2077 ND1 HIS A 128 5.681 3.201 5.885 1.00 23.32 N flip ATOM 2078 CD2 HIS A 128 6.431 1.383 6.833 1.00 12.22 C flip ATOM 2079 CE1 HIS A 128 5.345 3.190 7.217 1.00 60.35 C flip ATOM 2080 NE2 HIS A 128 5.809 2.081 7.766 1.00 61.52 N flip ATOM 0 H HIS A 128 6.440 2.188 1.401 1.00 33.52 H new ATOM 0 HA HIS A 128 5.502 0.337 3.374 1.00 3.31 H new ATOM 0 HB2 HIS A 128 7.487 0.603 4.577 1.00 30.24 H new ATOM 0 HB3 HIS A 128 7.733 2.248 4.023 1.00 30.24 H new ATOM 0 HD2 HIS A 128 6.915 0.429 6.986 1.00 12.22 H new ATOM 0 HE1 HIS A 128 4.792 3.962 7.732 1.00 60.35 H new ATOM 0 HE2 HIS A 128 5.705 1.810 8.744 1.00 61.52 H new ATOM 2089 N LEU A 129 3.768 2.041 3.998 1.00 62.14 N ATOM 2090 CA LEU A 129 2.646 2.961 4.141 1.00 43.22 C ATOM 2091 C LEU A 129 2.338 3.219 5.613 1.00 1.11 C ATOM 2092 O LEU A 129 1.870 2.329 6.324 1.00 40.52 O ATOM 2093 CB LEU A 129 1.408 2.400 3.440 1.00 13.42 C ATOM 2094 CG LEU A 129 0.226 3.360 3.295 1.00 53.21 C ATOM 2095 CD1 LEU A 129 -0.531 3.477 4.609 1.00 50.54 C ATOM 2096 CD2 LEU A 129 0.704 4.728 2.828 1.00 24.41 C ATOM 0 H LEU A 129 3.635 1.139 4.456 1.00 62.14 H new ATOM 0 HA LEU A 129 2.922 3.907 3.675 1.00 43.22 H new ATOM 0 HB2 LEU A 129 1.700 2.062 2.446 1.00 13.42 H new ATOM 0 HB3 LEU A 129 1.071 1.521 3.989 1.00 13.42 H new ATOM 0 HG LEU A 129 -0.453 2.959 2.543 1.00 53.21 H new ATOM 0 HD11 LEU A 129 -1.368 4.164 4.487 1.00 50.54 H new ATOM 0 HD12 LEU A 129 -0.906 2.496 4.901 1.00 50.54 H new ATOM 0 HD13 LEU A 129 0.138 3.855 5.382 1.00 50.54 H new ATOM 0 HD21 LEU A 129 -0.150 5.398 2.730 1.00 24.41 H new ATOM 0 HD22 LEU A 129 1.404 5.137 3.556 1.00 24.41 H new ATOM 0 HD23 LEU A 129 1.200 4.630 1.863 1.00 24.41 H new ATOM 2108 N ASP A 130 2.602 4.440 6.062 1.00 41.12 N ATOM 2109 CA ASP A 130 2.351 4.817 7.448 1.00 1.03 C ATOM 2110 C ASP A 130 0.854 4.865 7.736 1.00 74.25 C ATOM 2111 O ASP A 130 0.357 4.168 8.620 1.00 31.43 O ATOM 2112 CB ASP A 130 2.986 6.174 7.755 1.00 65.23 C ATOM 2113 CG ASP A 130 3.438 6.290 9.197 1.00 34.24 C ATOM 2114 OD1 ASP A 130 2.571 6.486 10.076 1.00 3.41 O ATOM 2115 OD2 ASP A 130 4.656 6.184 9.447 1.00 34.25 O ATOM 0 H ASP A 130 2.990 5.187 5.486 1.00 41.12 H new ATOM 0 HA ASP A 130 2.802 4.061 8.090 1.00 1.03 H new ATOM 0 HB2 ASP A 130 3.840 6.329 7.096 1.00 65.23 H new ATOM 0 HB3 ASP A 130 2.268 6.965 7.538 1.00 65.23 H new ATOM 2120 N THR A 131 0.138 5.695 6.983 1.00 61.14 N ATOM 2121 CA THR A 131 -1.302 5.837 7.156 1.00 3.23 C ATOM 2122 C THR A 131 -1.906 6.700 6.056 1.00 55.23 C ATOM 2123 O THR A 131 -1.204 7.154 5.152 1.00 52.31 O ATOM 2124 CB THR A 131 -1.643 6.456 8.525 1.00 34.33 C ATOM 2125 OG1 THR A 131 -3.053 6.371 8.762 1.00 13.50 O ATOM 2126 CG2 THR A 131 -1.199 7.910 8.587 1.00 13.04 C ATOM 0 H THR A 131 0.533 6.280 6.247 1.00 61.14 H new ATOM 0 HA THR A 131 -1.728 4.835 7.101 1.00 3.23 H new ATOM 0 HB THR A 131 -1.111 5.898 9.295 1.00 34.33 H new ATOM 0 HG1 THR A 131 -3.262 6.765 9.635 1.00 13.50 H new ATOM 0 HG21 THR A 131 -1.450 8.326 9.563 1.00 13.04 H new ATOM 0 HG22 THR A 131 -0.121 7.968 8.434 1.00 13.04 H new ATOM 0 HG23 THR A 131 -1.707 8.479 7.808 1.00 13.04 H new ATOM 2134 N THR A 132 -3.214 6.924 6.136 1.00 12.14 N ATOM 2135 CA THR A 132 -3.914 7.734 5.146 1.00 23.24 C ATOM 2136 C THR A 132 -4.611 8.921 5.800 1.00 35.30 C ATOM 2137 O THR A 132 -5.546 8.750 6.583 1.00 23.24 O ATOM 2138 CB THR A 132 -4.956 6.901 4.376 1.00 41.11 C ATOM 2139 OG1 THR A 132 -5.638 6.018 5.273 1.00 25.34 O ATOM 2140 CG2 THR A 132 -4.294 6.096 3.269 1.00 40.14 C ATOM 0 H THR A 132 -3.811 6.556 6.877 1.00 12.14 H new ATOM 0 HA THR A 132 -3.162 8.099 4.446 1.00 23.24 H new ATOM 0 HB THR A 132 -5.675 7.586 3.925 1.00 41.11 H new ATOM 0 HG1 THR A 132 -5.901 6.510 6.079 1.00 25.34 H new ATOM 0 HG21 THR A 132 -5.050 5.516 2.739 1.00 40.14 H new ATOM 0 HG22 THR A 132 -3.801 6.773 2.571 1.00 40.14 H new ATOM 0 HG23 THR A 132 -3.556 5.421 3.702 1.00 40.14 H new ATOM 2148 N ILE A 133 -4.152 10.124 5.474 1.00 62.23 N ATOM 2149 CA ILE A 133 -4.734 11.340 6.028 1.00 41.02 C ATOM 2150 C ILE A 133 -5.413 12.169 4.943 1.00 20.41 C ATOM 2151 O ILE A 133 -6.167 13.097 5.237 1.00 71.44 O ATOM 2152 CB ILE A 133 -3.669 12.205 6.728 1.00 23.43 C ATOM 2153 CG1 ILE A 133 -2.785 11.337 7.626 1.00 41.11 C ATOM 2154 CG2 ILE A 133 -4.333 13.310 7.537 1.00 4.14 C ATOM 2155 CD1 ILE A 133 -1.522 10.856 6.947 1.00 42.23 C ATOM 0 H ILE A 133 -3.378 10.283 4.829 1.00 62.23 H new ATOM 0 HA ILE A 133 -5.477 11.028 6.762 1.00 41.02 H new ATOM 0 HB ILE A 133 -3.039 12.666 5.967 1.00 23.43 H new ATOM 0 HG12 ILE A 133 -2.515 11.906 8.516 1.00 41.11 H new ATOM 0 HG13 ILE A 133 -3.359 10.473 7.962 1.00 41.11 H new ATOM 0 HG21 ILE A 133 -3.568 13.913 8.026 1.00 4.14 H new ATOM 0 HG22 ILE A 133 -4.924 13.942 6.874 1.00 4.14 H new ATOM 0 HG23 ILE A 133 -4.984 12.868 8.292 1.00 4.14 H new ATOM 0 HD11 ILE A 133 -0.944 10.247 7.642 1.00 42.23 H new ATOM 0 HD12 ILE A 133 -1.783 10.260 6.073 1.00 42.23 H new ATOM 0 HD13 ILE A 133 -0.927 11.714 6.636 1.00 42.23 H new TER 2167 ILE A 133