USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1060 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 87 THR OG1 : rot 141:sc= -1.3! USER MOD Set 1.2: A 109 LYS NZ :NH3+ 148:sc= -1.07! (180deg=-0.981) USER MOD Set 2.1: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 62 SER OG : rot 180:sc= -0.659 USER MOD Set 3.2: A 66 LYS NZ :NH3+ 160:sc= -0.0722 (180deg=-0.69) USER MOD Set 4.1: A 39 SER OG : rot 5:sc= -0.332 USER MOD Set 4.2: A 42 ASN : amide:sc= -3.09! C(o=-11!,f=-7.3!) USER MOD Set 4.3: A 82 ASN : amide:sc= -7.67! C(o=-11!,f=-9.4!) USER MOD Set 5.1: A 12 LYS NZ :NH3+ 154:sc= -1.09 (180deg=-2.06) USER MOD Set 5.2: A 19 ASN : amide:sc= -1.73! K(o=-2.8!,f=-3.5) USER MOD Single : A 6 SER OG : rot 180:sc= -0.104 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.14 (180deg=-0.807) USER MOD Single : A 16 SER OG : rot 180:sc= -0.12 USER MOD Single : A 22 ASN : amide:sc= -2.8 K(o=-2.8,f=-3.8!) USER MOD Single : A 23 HIS : no HD1:sc= -4.65 K(o=-4.7,f=-8.3!) USER MOD Single : A 25 CYS SG : rot -12:sc= -1.58 USER MOD Single : A 31 LYS NZ :NH3+ -132:sc= -2.55! (180deg=-5.11!) USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= -0.192 (180deg=-1.02) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -47:sc= 0.976 USER MOD Single : A 49 CYS SG : rot 139:sc= -1.16 USER MOD Single : A 52 TYR OH : rot 7:sc= -1.04 USER MOD Single : A 53 LYS NZ :NH3+ -118:sc= -1.05 (180deg=-2.86!) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.647 (180deg=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= -0.0598 (180deg=-0.466) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -113:sc= -1.35 (180deg=-3.22!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.9!) USER MOD Single : A 74 SER OG : rot -118:sc= 0.378 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -0.0271 (180deg=-0.325) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00141 USER MOD Single : A 92 SER OG : rot -69:sc= 0.759 USER MOD Single : A 94 ASN : amide:sc= -2.17! K(o=-2.2!,f=-0.86) USER MOD Single : A 95 MET CE :methyl 150:sc= -0.0459 (180deg=-1.33) USER MOD Single : A 102 CYS SG : rot -103:sc= -3.62! USER MOD Single : A 107 GLN : amide:sc= -2.28! C(o=-2.3!,f=-9.7!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.62) USER MOD Single : A 114 MET CE :methyl -163:sc= -1.83 (180deg=-2.98) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -58:sc= 0.189 USER MOD Single : A 119 TYR OH : rot -154:sc= -2.79! USER MOD Single : A 124 LYS NZ :NH3+ 159:sc= -0.0584 (180deg=-0.52) USER MOD Single : A 125 SER OG : rot -42:sc= 0.719 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -144:sc= -0.919! USER MOD Single : A 133 ASN : amide:sc= -1.64! X(o=-1.6!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -9.221 3.027 -13.725 1.00 17.32 N ATOM 2 CA VAL A 5 -9.723 2.372 -12.475 1.00 16.53 C ATOM 3 C VAL A 5 -11.231 2.598 -12.346 1.00 15.62 C ATOM 4 O VAL A 5 -11.719 3.702 -12.486 1.00 15.21 O ATOM 5 CB VAL A 5 -9.015 2.983 -11.266 1.00 17.91 C ATOM 6 CG1 VAL A 5 -9.506 2.309 -9.986 1.00 18.70 C ATOM 7 CG2 VAL A 5 -7.503 2.781 -11.398 1.00 17.86 C ATOM 0 HA VAL A 5 -9.520 1.302 -12.519 1.00 16.53 H new ATOM 0 HB VAL A 5 -9.237 4.049 -11.223 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -8.999 2.747 -9.126 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -10.581 2.456 -9.887 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -9.288 1.242 -10.030 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -7.001 3.218 -10.535 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -7.281 1.715 -11.446 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -7.149 3.267 -12.307 1.00 17.86 H new ATOM 17 N SER A 6 -11.969 1.559 -12.072 1.00 15.43 N ATOM 18 CA SER A 6 -13.441 1.709 -11.921 1.00 14.66 C ATOM 19 C SER A 6 -13.731 2.434 -10.608 1.00 13.40 C ATOM 20 O SER A 6 -12.902 2.477 -9.720 1.00 12.58 O ATOM 21 CB SER A 6 -14.092 0.326 -11.897 1.00 15.49 C ATOM 22 OG SER A 6 -13.638 -0.384 -10.752 1.00 15.97 O ATOM 0 H SER A 6 -11.615 0.611 -11.946 1.00 15.43 H new ATOM 0 HA SER A 6 -13.845 2.282 -12.756 1.00 14.66 H new ATOM 0 HB2 SER A 6 -15.177 0.422 -11.873 1.00 15.49 H new ATOM 0 HB3 SER A 6 -13.840 -0.224 -12.804 1.00 15.49 H new ATOM 0 HG SER A 6 -14.054 -1.271 -10.731 1.00 15.97 H new ATOM 28 N GLN A 7 -14.891 3.011 -10.471 1.00 13.37 N ATOM 29 CA GLN A 7 -15.208 3.733 -9.209 1.00 12.23 C ATOM 30 C GLN A 7 -15.309 2.725 -8.062 1.00 11.36 C ATOM 31 O GLN A 7 -15.110 3.053 -6.910 1.00 10.97 O ATOM 32 CB GLN A 7 -16.533 4.482 -9.359 1.00 13.19 C ATOM 33 CG GLN A 7 -16.361 5.604 -10.385 1.00 13.36 C ATOM 34 CD GLN A 7 -17.675 6.374 -10.533 1.00 13.61 C ATOM 35 OE1 GLN A 7 -18.679 5.822 -10.937 1.00 13.82 O ATOM 36 NE2 GLN A 7 -17.709 7.641 -10.218 1.00 13.77 N ATOM 0 H GLN A 7 -15.630 3.014 -11.174 1.00 13.37 H new ATOM 0 HA GLN A 7 -14.418 4.452 -8.993 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -17.318 3.797 -9.679 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.842 4.895 -8.399 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -15.566 6.280 -10.069 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -16.062 5.187 -11.347 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -16.866 8.105 -9.879 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -18.578 8.167 -10.311 1.00 13.77 H new ATOM 45 N GLU A 8 -15.626 1.499 -8.370 1.00 13.01 N ATOM 46 CA GLU A 8 -15.750 0.461 -7.305 1.00 12.24 C ATOM 47 C GLU A 8 -14.391 0.208 -6.637 1.00 11.73 C ATOM 48 O GLU A 8 -14.312 -0.035 -5.451 1.00 11.71 O ATOM 49 CB GLU A 8 -16.251 -0.846 -7.924 1.00 13.27 C ATOM 50 CG GLU A 8 -17.711 -0.688 -8.349 1.00 13.55 C ATOM 51 CD GLU A 8 -18.207 -1.996 -8.966 1.00 14.55 C ATOM 52 OE1 GLU A 8 -17.486 -2.976 -8.885 1.00 14.92 O ATOM 53 OE2 GLU A 8 -19.298 -1.995 -9.513 1.00 15.06 O ATOM 0 H GLU A 8 -15.806 1.168 -9.318 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.455 0.817 -6.554 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.638 -1.110 -8.786 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.157 -1.660 -7.205 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.325 -0.424 -7.488 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.805 0.125 -9.069 1.00 13.55 H new ATOM 60 N GLU A 9 -13.327 0.222 -7.392 1.00 11.46 N ATOM 61 CA GLU A 9 -11.987 -0.064 -6.795 1.00 11.12 C ATOM 62 C GLU A 9 -11.527 1.085 -5.883 1.00 10.28 C ATOM 63 O GLU A 9 -11.069 0.856 -4.781 1.00 10.32 O ATOM 64 CB GLU A 9 -10.974 -0.247 -7.925 1.00 12.40 C ATOM 65 CG GLU A 9 -11.290 -1.531 -8.699 1.00 13.24 C ATOM 66 CD GLU A 9 -11.002 -2.750 -7.822 1.00 14.08 C ATOM 67 OE1 GLU A 9 -9.847 -2.959 -7.491 1.00 14.26 O ATOM 68 OE2 GLU A 9 -11.942 -3.462 -7.505 1.00 14.68 O ATOM 0 H GLU A 9 -13.325 0.418 -8.393 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.059 -0.969 -6.192 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -11.005 0.611 -8.597 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.964 -0.296 -7.517 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -12.336 -1.532 -9.007 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -10.690 -1.576 -9.608 1.00 13.24 H new ATOM 75 N VAL A 10 -11.636 2.313 -6.319 1.00 9.75 N ATOM 76 CA VAL A 10 -11.190 3.442 -5.444 1.00 9.10 C ATOM 77 C VAL A 10 -12.016 3.444 -4.157 1.00 7.91 C ATOM 78 O VAL A 10 -11.503 3.654 -3.079 1.00 7.70 O ATOM 79 CB VAL A 10 -11.355 4.785 -6.166 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.335 4.886 -7.300 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.765 4.895 -6.746 1.00 11.17 C ATOM 0 H VAL A 10 -12.009 2.583 -7.229 1.00 9.75 H new ATOM 0 HA VAL A 10 -10.135 3.305 -5.205 1.00 9.10 H new ATOM 0 HB VAL A 10 -11.193 5.593 -5.453 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.454 5.841 -7.812 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.327 4.817 -6.890 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -10.496 4.073 -8.007 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.875 5.851 -7.257 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.931 4.084 -7.455 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.496 4.828 -5.940 1.00 11.17 H new ATOM 91 N LYS A 11 -13.289 3.191 -4.250 1.00 7.38 N ATOM 92 CA LYS A 11 -14.115 3.158 -3.017 1.00 6.32 C ATOM 93 C LYS A 11 -13.564 2.076 -2.096 1.00 5.68 C ATOM 94 O LYS A 11 -13.475 2.252 -0.896 1.00 5.93 O ATOM 95 CB LYS A 11 -15.572 2.880 -3.372 1.00 8.26 C ATOM 96 CG LYS A 11 -16.145 4.110 -4.075 1.00 8.64 C ATOM 97 CD LYS A 11 -17.604 3.860 -4.441 1.00 9.23 C ATOM 98 CE LYS A 11 -18.172 5.112 -5.106 1.00 9.91 C ATOM 99 NZ LYS A 11 -18.089 6.253 -4.149 1.00 10.51 N ATOM 0 H LYS A 11 -13.789 3.007 -5.120 1.00 7.38 H new ATOM 0 HA LYS A 11 -14.074 4.121 -2.509 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.644 2.006 -4.020 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -16.145 2.657 -2.472 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -16.067 4.981 -3.425 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.567 4.330 -4.973 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.682 3.007 -5.115 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -18.179 3.614 -3.548 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -17.614 5.341 -6.014 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -19.208 4.944 -5.402 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -18.802 6.968 -4.398 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -18.266 5.910 -3.183 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -17.141 6.678 -4.197 1.00 10.51 H new ATOM 113 N LYS A 12 -13.167 0.965 -2.651 1.00 5.08 N ATOM 114 CA LYS A 12 -12.591 -0.118 -1.812 1.00 4.72 C ATOM 115 C LYS A 12 -11.285 0.382 -1.196 1.00 4.34 C ATOM 116 O LYS A 12 -10.944 0.038 -0.082 1.00 4.65 O ATOM 117 CB LYS A 12 -12.326 -1.360 -2.666 1.00 6.91 C ATOM 118 CG LYS A 12 -13.660 -2.035 -3.008 1.00 7.86 C ATOM 119 CD LYS A 12 -13.426 -3.211 -3.967 1.00 8.86 C ATOM 120 CE LYS A 12 -12.485 -4.236 -3.322 1.00 9.89 C ATOM 121 NZ LYS A 12 -12.779 -4.337 -1.865 1.00 10.82 N ATOM 0 H LYS A 12 -13.217 0.762 -3.649 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.293 -0.386 -1.023 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.801 -1.082 -3.580 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.681 -2.055 -2.128 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.141 -2.389 -2.096 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -14.336 -1.312 -3.465 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -14.377 -3.683 -4.215 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.997 -2.849 -4.901 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -12.610 -5.209 -3.797 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -11.448 -3.938 -3.474 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -12.497 -5.276 -1.518 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -12.248 -3.605 -1.352 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -13.798 -4.201 -1.706 1.00 10.82 H new ATOM 135 N TRP A 13 -10.554 1.205 -1.904 1.00 4.15 N ATOM 136 CA TRP A 13 -9.285 1.733 -1.334 1.00 3.58 C ATOM 137 C TRP A 13 -9.617 2.496 -0.055 1.00 2.38 C ATOM 138 O TRP A 13 -8.844 2.535 0.870 1.00 2.83 O ATOM 139 CB TRP A 13 -8.606 2.695 -2.320 1.00 4.70 C ATOM 140 CG TRP A 13 -8.240 1.990 -3.595 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.423 0.672 -3.855 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.627 2.556 -4.791 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.954 0.398 -5.127 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.455 1.525 -5.745 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.204 3.851 -5.138 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.885 1.769 -6.996 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.631 4.102 -6.397 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.473 3.062 -7.322 1.00 6.26 C ATOM 0 H TRP A 13 -10.781 1.530 -2.844 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.609 0.902 -1.133 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.274 3.528 -2.540 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.711 3.117 -1.864 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.863 -0.046 -3.179 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.975 -0.527 -5.556 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.320 4.660 -4.432 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.764 0.964 -7.706 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.311 5.101 -6.652 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -6.032 3.261 -8.288 1.00 6.26 H new ATOM 159 N ALA A 14 -10.764 3.115 0.001 1.00 0.01 N ATOM 160 CA ALA A 14 -11.139 3.883 1.225 1.00 0.01 C ATOM 161 C ALA A 14 -11.727 2.939 2.282 1.00 0.01 C ATOM 162 O ALA A 14 -11.973 3.335 3.404 1.00 0.01 O ATOM 163 CB ALA A 14 -12.184 4.937 0.856 1.00 0.00 C ATOM 0 H ALA A 14 -11.458 3.123 -0.746 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.249 4.364 1.631 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.462 5.501 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.769 5.616 0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.067 4.446 0.447 1.00 0.00 H new ATOM 169 N GLU A 15 -11.970 1.699 1.939 1.00 0.01 N ATOM 170 CA GLU A 15 -12.560 0.751 2.936 1.00 0.01 C ATOM 171 C GLU A 15 -11.462 0.081 3.772 1.00 0.01 C ATOM 172 O GLU A 15 -11.674 -0.256 4.920 1.00 0.01 O ATOM 173 CB GLU A 15 -13.362 -0.326 2.200 1.00 0.01 C ATOM 174 CG GLU A 15 -14.666 0.279 1.671 1.00 0.01 C ATOM 175 CD GLU A 15 -15.423 -0.773 0.857 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.845 -1.811 0.587 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.568 -0.519 0.518 1.00 0.01 O ATOM 0 H GLU A 15 -11.787 1.303 1.017 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.211 1.314 3.605 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.776 -0.731 1.375 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.580 -1.155 2.873 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.282 0.625 2.501 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.450 1.149 1.050 1.00 0.01 H new ATOM 184 N SER A 16 -10.293 -0.123 3.222 1.00 0.01 N ATOM 185 CA SER A 16 -9.218 -0.782 4.021 1.00 0.01 C ATOM 186 C SER A 16 -7.888 -0.763 3.264 1.00 0.00 C ATOM 187 O SER A 16 -7.842 -0.838 2.054 1.00 0.00 O ATOM 188 CB SER A 16 -9.612 -2.233 4.301 1.00 0.01 C ATOM 189 OG SER A 16 -9.998 -2.858 3.085 1.00 0.01 O ATOM 0 H SER A 16 -10.039 0.134 2.268 1.00 0.01 H new ATOM 0 HA SER A 16 -9.098 -0.235 4.956 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.775 -2.769 4.749 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.433 -2.267 5.017 1.00 0.01 H new ATOM 0 HG SER A 16 -10.250 -3.789 3.261 1.00 0.01 H new ATOM 195 N LEU A 17 -6.803 -0.677 3.992 1.00 0.00 N ATOM 196 CA LEU A 17 -5.450 -0.655 3.368 1.00 0.00 C ATOM 197 C LEU A 17 -5.221 -1.932 2.563 1.00 0.01 C ATOM 198 O LEU A 17 -4.642 -1.905 1.494 1.00 0.00 O ATOM 199 CB LEU A 17 -4.407 -0.552 4.486 1.00 0.01 C ATOM 200 CG LEU A 17 -2.987 -0.543 3.902 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.811 0.656 2.951 1.00 0.01 C ATOM 202 CD2 LEU A 17 -1.970 -0.447 5.052 1.00 0.00 C ATOM 0 H LEU A 17 -6.801 -0.620 5.010 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.366 0.197 2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.574 0.357 5.064 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.518 -1.391 5.173 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.823 -1.462 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.800 0.652 2.543 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.531 0.583 2.136 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -2.977 1.583 3.500 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -0.959 -0.440 4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.141 0.472 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.088 -1.304 5.715 1.00 0.00 H new ATOM 214 N GLU A 18 -5.654 -3.048 3.064 1.00 0.01 N ATOM 215 CA GLU A 18 -5.444 -4.320 2.330 1.00 0.00 C ATOM 216 C GLU A 18 -6.019 -4.208 0.916 1.00 0.00 C ATOM 217 O GLU A 18 -5.436 -4.689 -0.032 1.00 0.01 O ATOM 218 CB GLU A 18 -6.152 -5.451 3.078 1.00 0.01 C ATOM 219 CG GLU A 18 -5.419 -5.737 4.388 1.00 0.01 C ATOM 220 CD GLU A 18 -6.130 -6.866 5.132 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.184 -7.278 4.675 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.612 -7.299 6.148 1.00 0.01 O ATOM 0 H GLU A 18 -6.146 -3.135 3.953 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.376 -4.528 2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.186 -5.174 3.281 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.178 -6.349 2.460 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.385 -6.015 4.185 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.393 -4.840 5.006 1.00 0.01 H new ATOM 229 N ASN A 19 -7.156 -3.585 0.763 1.00 0.01 N ATOM 230 CA ASN A 19 -7.755 -3.461 -0.600 1.00 0.00 C ATOM 231 C ASN A 19 -6.814 -2.675 -1.522 1.00 0.00 C ATOM 232 O ASN A 19 -6.523 -3.094 -2.627 1.00 0.01 O ATOM 233 CB ASN A 19 -9.094 -2.728 -0.499 1.00 0.01 C ATOM 234 CG ASN A 19 -10.115 -3.630 0.194 1.00 0.01 C ATOM 235 OD1 ASN A 19 -11.246 -3.237 0.407 1.00 0.01 O ATOM 236 ND2 ASN A 19 -9.761 -4.830 0.564 1.00 0.01 N ATOM 0 H ASN A 19 -7.695 -3.158 1.517 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.908 -4.458 -1.014 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.972 -1.801 0.061 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.448 -2.456 -1.493 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -10.433 -5.438 1.032 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -8.812 -5.160 0.385 1.00 0.01 H new ATOM 243 N LEU A 20 -6.332 -1.544 -1.080 1.00 0.00 N ATOM 244 CA LEU A 20 -5.407 -0.739 -1.935 1.00 0.01 C ATOM 245 C LEU A 20 -4.157 -1.568 -2.240 1.00 0.01 C ATOM 246 O LEU A 20 -3.670 -1.591 -3.354 1.00 0.00 O ATOM 247 CB LEU A 20 -5.021 0.552 -1.189 1.00 0.00 C ATOM 248 CG LEU A 20 -4.063 1.418 -2.029 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.783 1.985 -3.256 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.565 2.580 -1.166 1.00 0.01 C ATOM 0 H LEU A 20 -6.538 -1.142 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.897 -0.475 -2.872 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.920 1.122 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.548 0.299 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.229 0.801 -2.364 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -4.089 2.594 -3.836 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.150 1.165 -3.873 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.623 2.600 -2.933 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.885 3.201 -1.749 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.414 3.180 -0.838 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.040 2.187 -0.295 1.00 0.01 H new ATOM 262 N ILE A 21 -3.634 -2.244 -1.259 1.00 0.01 N ATOM 263 CA ILE A 21 -2.416 -3.069 -1.483 1.00 0.00 C ATOM 264 C ILE A 21 -2.792 -4.376 -2.192 1.00 0.00 C ATOM 265 O ILE A 21 -1.978 -4.982 -2.861 1.00 0.00 O ATOM 266 CB ILE A 21 -1.755 -3.372 -0.132 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.360 -2.048 0.535 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.504 -4.237 -0.340 1.00 0.00 C ATOM 269 CD1 ILE A 21 -0.725 -2.321 1.899 1.00 0.01 C ATOM 0 H ILE A 21 -3.999 -2.261 -0.307 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.715 -2.521 -2.113 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.456 -3.915 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.659 -1.506 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.239 -1.414 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.042 -4.447 0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.786 -5.175 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.205 -3.705 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.447 -1.376 2.367 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.439 -2.844 2.535 1.00 0.01 H new ATOM 0 HD13 ILE A 21 0.165 -2.937 1.769 1.00 0.01 H new ATOM 281 N ASN A 22 -4.010 -4.832 -2.042 1.00 0.00 N ATOM 282 CA ASN A 22 -4.413 -6.113 -2.699 1.00 0.01 C ATOM 283 C ASN A 22 -4.964 -5.841 -4.098 1.00 0.01 C ATOM 284 O ASN A 22 -5.334 -6.752 -4.812 1.00 0.01 O ATOM 285 CB ASN A 22 -5.498 -6.792 -1.866 1.00 0.01 C ATOM 286 CG ASN A 22 -4.897 -7.274 -0.548 1.00 0.01 C ATOM 287 OD1 ASN A 22 -3.698 -7.433 -0.435 1.00 0.01 O ATOM 288 ND2 ASN A 22 -5.683 -7.512 0.463 1.00 0.01 N ATOM 0 H ASN A 22 -4.740 -4.375 -1.496 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.537 -6.758 -2.775 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.314 -6.095 -1.673 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.921 -7.633 -2.415 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -5.292 -7.832 1.349 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -6.690 -7.379 0.369 1.00 0.01 H new ATOM 295 N HIS A 23 -5.024 -4.600 -4.502 1.00 0.01 N ATOM 296 CA HIS A 23 -5.553 -4.279 -5.863 1.00 0.01 C ATOM 297 C HIS A 23 -4.379 -4.154 -6.841 1.00 0.01 C ATOM 298 O HIS A 23 -3.369 -3.550 -6.540 1.00 0.01 O ATOM 299 CB HIS A 23 -6.333 -2.968 -5.806 1.00 0.00 C ATOM 300 CG HIS A 23 -6.949 -2.685 -7.148 1.00 0.01 C ATOM 301 ND1 HIS A 23 -7.381 -1.419 -7.504 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.221 -3.490 -8.230 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.887 -1.498 -8.747 1.00 0.01 C ATOM 304 NE2 HIS A 23 -7.813 -2.739 -9.236 1.00 0.01 N ATOM 0 H HIS A 23 -4.730 -3.794 -3.950 1.00 0.01 H new ATOM 0 HA HIS A 23 -6.219 -5.073 -6.202 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -7.110 -3.029 -5.044 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.670 -2.151 -5.520 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.006 -4.547 -8.288 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -8.303 -0.659 -9.285 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -8.124 -3.064 -10.151 1.00 0.01 H new ATOM 312 N GLU A 24 -4.496 -4.745 -8.000 1.00 0.01 N ATOM 313 CA GLU A 24 -3.379 -4.693 -8.994 1.00 0.01 C ATOM 314 C GLU A 24 -3.063 -3.242 -9.380 1.00 0.01 C ATOM 315 O GLU A 24 -1.913 -2.867 -9.514 1.00 0.01 O ATOM 316 CB GLU A 24 -3.787 -5.467 -10.249 1.00 0.01 C ATOM 317 CG GLU A 24 -2.595 -5.562 -11.204 1.00 0.01 C ATOM 318 CD GLU A 24 -3.011 -6.322 -12.465 1.00 0.01 C ATOM 319 OE1 GLU A 24 -4.098 -6.875 -12.467 1.00 0.01 O ATOM 320 OE2 GLU A 24 -2.238 -6.329 -13.408 1.00 0.00 O ATOM 0 H GLU A 24 -5.320 -5.264 -8.304 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.491 -5.139 -8.546 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -4.129 -6.466 -9.977 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.621 -4.968 -10.741 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.246 -4.564 -11.467 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.764 -6.072 -10.716 1.00 0.01 H new ATOM 327 N CYS A 25 -4.060 -2.417 -9.561 1.00 0.01 N ATOM 328 CA CYS A 25 -3.771 -1.003 -9.942 1.00 0.01 C ATOM 329 C CYS A 25 -3.455 -0.220 -8.675 1.00 0.01 C ATOM 330 O CYS A 25 -2.732 0.756 -8.701 1.00 0.00 O ATOM 331 CB CYS A 25 -4.984 -0.387 -10.642 1.00 0.01 C ATOM 332 SG CYS A 25 -4.721 1.393 -10.844 1.00 0.00 S ATOM 0 H CYS A 25 -5.047 -2.655 -9.464 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.924 -0.970 -10.627 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.134 -0.856 -11.614 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.886 -0.569 -10.058 1.00 0.01 H new ATOM 0 HG CYS A 25 -3.697 1.764 -10.134 1.00 0.00 H new ATOM 338 N GLY A 26 -3.957 -0.660 -7.555 1.00 0.01 N ATOM 339 CA GLY A 26 -3.639 0.045 -6.289 1.00 0.01 C ATOM 340 C GLY A 26 -2.132 -0.059 -6.073 1.00 0.01 C ATOM 341 O GLY A 26 -1.465 0.911 -5.780 1.00 0.01 O ATOM 0 H GLY A 26 -4.569 -1.471 -7.464 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.947 1.089 -6.343 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.178 -0.403 -5.454 1.00 0.01 H new ATOM 345 N LEU A 27 -1.590 -1.237 -6.244 1.00 0.01 N ATOM 346 CA LEU A 27 -0.122 -1.406 -6.077 1.00 0.00 C ATOM 347 C LEU A 27 0.595 -0.506 -7.083 1.00 0.00 C ATOM 348 O LEU A 27 1.530 0.193 -6.745 1.00 0.00 O ATOM 349 CB LEU A 27 0.267 -2.872 -6.321 1.00 0.00 C ATOM 350 CG LEU A 27 -0.197 -3.748 -5.144 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.044 -5.226 -5.525 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.654 -3.457 -3.888 1.00 0.01 C ATOM 0 H LEU A 27 -2.101 -2.084 -6.491 1.00 0.01 H new ATOM 0 HA LEU A 27 0.167 -1.131 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.185 -3.226 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.347 -2.954 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.241 -3.522 -4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.371 -5.852 -4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.653 -5.440 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.002 -5.438 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.313 -4.084 -3.064 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.701 -3.673 -4.100 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.549 -2.408 -3.612 1.00 0.01 H new ATOM 364 N ALA A 28 0.164 -0.507 -8.319 1.00 0.00 N ATOM 365 CA ALA A 28 0.831 0.363 -9.329 1.00 0.00 C ATOM 366 C ALA A 28 0.689 1.829 -8.913 1.00 0.01 C ATOM 367 O ALA A 28 1.652 2.570 -8.870 1.00 0.00 O ATOM 368 CB ALA A 28 0.184 0.154 -10.702 1.00 0.00 C ATOM 0 H ALA A 28 -0.613 -1.067 -8.668 1.00 0.00 H new ATOM 0 HA ALA A 28 1.888 0.102 -9.387 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.675 0.792 -11.437 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.290 -0.889 -10.999 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.874 0.410 -10.648 1.00 0.00 H new ATOM 374 N ALA A 29 -0.505 2.248 -8.603 1.00 0.00 N ATOM 375 CA ALA A 29 -0.717 3.662 -8.186 1.00 0.01 C ATOM 376 C ALA A 29 -0.057 3.900 -6.831 1.00 0.00 C ATOM 377 O ALA A 29 0.639 4.874 -6.626 1.00 0.00 O ATOM 378 CB ALA A 29 -2.216 3.940 -8.068 1.00 0.01 C ATOM 0 H ALA A 29 -1.346 1.671 -8.620 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.277 4.326 -8.930 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.371 4.975 -7.763 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.695 3.770 -9.033 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.652 3.273 -7.324 1.00 0.01 H new ATOM 384 N PHE A 30 -0.278 3.017 -5.898 1.00 0.00 N ATOM 385 CA PHE A 30 0.328 3.195 -4.553 1.00 0.00 C ATOM 386 C PHE A 30 1.853 3.221 -4.656 1.00 0.00 C ATOM 387 O PHE A 30 2.500 4.075 -4.092 1.00 0.00 O ATOM 388 CB PHE A 30 -0.110 2.061 -3.624 1.00 0.00 C ATOM 389 CG PHE A 30 0.386 2.361 -2.226 1.00 0.00 C ATOM 390 CD1 PHE A 30 -0.092 3.487 -1.542 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.332 1.525 -1.620 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.376 3.778 -0.257 1.00 0.00 C ATOM 393 CE2 PHE A 30 1.794 1.814 -0.332 1.00 0.00 C ATOM 394 CZ PHE A 30 1.317 2.943 0.349 1.00 0.00 C ATOM 0 H PHE A 30 -0.852 2.181 -6.010 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.014 4.145 -4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.196 1.967 -3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.293 1.110 -3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.823 4.131 -2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.704 0.659 -2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.010 4.649 0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.519 1.167 0.139 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.677 3.167 1.342 1.00 0.00 H new ATOM 404 N LYS A 31 2.437 2.293 -5.362 1.00 0.00 N ATOM 405 CA LYS A 31 3.924 2.277 -5.473 1.00 0.00 C ATOM 406 C LYS A 31 4.408 3.587 -6.099 1.00 0.00 C ATOM 407 O LYS A 31 5.397 4.157 -5.676 1.00 0.00 O ATOM 408 CB LYS A 31 4.349 1.095 -6.350 1.00 0.00 C ATOM 409 CG LYS A 31 4.103 -0.215 -5.595 1.00 0.00 C ATOM 410 CD LYS A 31 4.085 -1.388 -6.580 1.00 0.00 C ATOM 411 CE LYS A 31 5.454 -1.530 -7.249 1.00 0.01 C ATOM 412 NZ LYS A 31 5.591 -0.504 -8.319 1.00 0.00 N ATOM 0 H LYS A 31 1.953 1.549 -5.864 1.00 0.00 H new ATOM 0 HA LYS A 31 4.365 2.173 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.787 1.100 -7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.403 1.184 -6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.883 -0.367 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.155 -0.164 -5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.829 -2.309 -6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.316 -1.227 -7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.246 -1.409 -6.510 1.00 0.01 H new ATOM 0 HE3 LYS A 31 5.562 -2.529 -7.672 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 5.940 -0.954 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.665 -0.068 -8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.264 0.228 -8.014 1.00 0.00 H new ATOM 426 N ALA A 32 3.715 4.086 -7.080 1.00 0.00 N ATOM 427 CA ALA A 32 4.139 5.372 -7.699 1.00 0.00 C ATOM 428 C ALA A 32 3.890 6.498 -6.697 1.00 0.01 C ATOM 429 O ALA A 32 4.678 7.411 -6.560 1.00 0.00 O ATOM 430 CB ALA A 32 3.327 5.631 -8.967 1.00 0.00 C ATOM 0 H ALA A 32 2.877 3.663 -7.480 1.00 0.00 H new ATOM 0 HA ALA A 32 5.196 5.326 -7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.642 6.573 -9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.491 4.820 -9.676 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.268 5.685 -8.716 1.00 0.00 H new ATOM 436 N PHE A 33 2.795 6.433 -5.991 1.00 0.00 N ATOM 437 CA PHE A 33 2.484 7.491 -4.992 1.00 0.00 C ATOM 438 C PHE A 33 3.593 7.539 -3.944 1.00 0.00 C ATOM 439 O PHE A 33 4.014 8.594 -3.516 1.00 0.00 O ATOM 440 CB PHE A 33 1.159 7.163 -4.309 1.00 0.00 C ATOM 441 CG PHE A 33 0.840 8.231 -3.295 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.173 9.394 -3.694 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.207 8.057 -1.956 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.127 10.384 -2.754 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.907 9.048 -1.015 1.00 0.00 C ATOM 446 CZ PHE A 33 0.240 10.211 -1.415 1.00 0.00 C ATOM 0 H PHE A 33 2.100 5.690 -6.064 1.00 0.00 H new ATOM 0 HA PHE A 33 2.411 8.457 -5.492 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.362 7.099 -5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.220 6.190 -3.822 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.110 9.527 -4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.721 7.158 -1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.642 11.282 -3.061 1.00 0.01 H new ATOM 0 HE2 PHE A 33 1.190 8.915 0.019 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.008 10.976 -0.689 1.00 0.00 H new ATOM 456 N LEU A 34 4.074 6.406 -3.529 1.00 0.00 N ATOM 457 CA LEU A 34 5.160 6.394 -2.513 1.00 0.00 C ATOM 458 C LEU A 34 6.377 7.106 -3.093 1.00 0.00 C ATOM 459 O LEU A 34 7.054 7.855 -2.418 1.00 0.00 O ATOM 460 CB LEU A 34 5.539 4.953 -2.183 1.00 0.00 C ATOM 461 CG LEU A 34 4.387 4.242 -1.451 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.685 2.727 -1.360 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.217 4.827 -0.034 1.00 0.00 C ATOM 0 H LEU A 34 3.764 5.488 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 34 4.822 6.896 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.780 4.416 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.434 4.940 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 34 3.463 4.396 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.868 2.226 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.784 2.315 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.613 2.571 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.399 4.317 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.139 4.687 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.992 5.891 -0.104 1.00 0.00 H new ATOM 475 N LYS A 35 6.654 6.884 -4.347 1.00 0.00 N ATOM 476 CA LYS A 35 7.821 7.553 -4.974 1.00 0.00 C ATOM 477 C LYS A 35 7.614 9.064 -4.880 1.00 0.01 C ATOM 478 O LYS A 35 8.531 9.813 -4.608 1.00 0.00 O ATOM 479 CB LYS A 35 7.937 7.116 -6.436 1.00 0.00 C ATOM 480 CG LYS A 35 8.342 5.639 -6.478 1.00 0.00 C ATOM 481 CD LYS A 35 8.467 5.171 -7.931 1.00 0.00 C ATOM 482 CE LYS A 35 8.864 3.690 -7.965 1.00 0.00 C ATOM 483 NZ LYS A 35 9.922 3.426 -6.947 1.00 0.01 N ATOM 0 H LYS A 35 6.122 6.269 -4.962 1.00 0.00 H new ATOM 0 HA LYS A 35 8.742 7.278 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.987 7.262 -6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.677 7.725 -6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.290 5.499 -5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.600 5.035 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.521 5.316 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.214 5.770 -8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.992 3.066 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.227 3.424 -8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.477 2.594 -7.231 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 10.549 4.253 -6.875 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 9.478 3.247 -6.024 1.00 0.01 H new ATOM 497 N SER A 36 6.406 9.515 -5.087 1.00 0.00 N ATOM 498 CA SER A 36 6.123 10.974 -4.992 1.00 0.00 C ATOM 499 C SER A 36 6.465 11.458 -3.581 1.00 0.00 C ATOM 500 O SER A 36 6.980 12.543 -3.396 1.00 0.00 O ATOM 501 CB SER A 36 4.643 11.234 -5.283 1.00 0.00 C ATOM 502 OG SER A 36 4.353 10.848 -6.619 1.00 0.00 O ATOM 0 H SER A 36 5.601 8.933 -5.319 1.00 0.00 H new ATOM 0 HA SER A 36 6.727 11.513 -5.722 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.020 10.673 -4.587 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.412 12.289 -5.139 1.00 0.00 H new ATOM 0 HG SER A 36 3.405 11.012 -6.808 1.00 0.00 H new ATOM 508 N GLU A 37 6.178 10.663 -2.580 1.00 0.00 N ATOM 509 CA GLU A 37 6.484 11.074 -1.171 1.00 0.00 C ATOM 510 C GLU A 37 7.780 10.402 -0.720 1.00 0.00 C ATOM 511 O GLU A 37 8.186 10.518 0.419 1.00 0.00 O ATOM 512 CB GLU A 37 5.353 10.627 -0.246 1.00 0.00 C ATOM 513 CG GLU A 37 4.082 11.413 -0.562 1.00 0.00 C ATOM 514 CD GLU A 37 2.961 10.956 0.371 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.132 9.934 1.016 1.00 0.00 O ATOM 516 OE2 GLU A 37 1.948 11.631 0.421 1.00 0.00 O ATOM 0 H GLU A 37 5.744 9.745 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 37 6.588 12.158 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.171 9.559 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.639 10.784 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.261 12.481 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.793 11.256 -1.601 1.00 0.00 H new ATOM 523 N TYR A 38 8.431 9.704 -1.611 1.00 0.00 N ATOM 524 CA TYR A 38 9.707 9.025 -1.259 1.00 0.00 C ATOM 525 C TYR A 38 9.482 8.080 -0.078 1.00 0.00 C ATOM 526 O TYR A 38 10.375 7.823 0.706 1.00 0.00 O ATOM 527 CB TYR A 38 10.758 10.074 -0.902 1.00 0.00 C ATOM 528 CG TYR A 38 10.895 11.036 -2.057 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.765 10.744 -3.113 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.141 12.214 -2.075 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.883 11.635 -4.187 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.257 13.103 -3.149 1.00 0.00 C ATOM 533 CZ TYR A 38 11.129 12.814 -4.204 1.00 0.01 C ATOM 534 OH TYR A 38 11.244 13.692 -5.262 1.00 0.00 O ATOM 0 H TYR A 38 8.129 9.575 -2.577 1.00 0.00 H new ATOM 0 HA TYR A 38 10.058 8.443 -2.111 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.466 10.608 0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.715 9.595 -0.694 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.345 9.833 -3.100 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.469 12.437 -1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.556 11.412 -5.002 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.674 14.012 -3.164 1.00 0.00 H new ATOM 0 HH TYR A 38 10.651 14.459 -5.117 1.00 0.00 H new ATOM 544 N SER A 39 8.295 7.547 0.040 1.00 0.00 N ATOM 545 CA SER A 39 7.990 6.598 1.152 1.00 0.00 C ATOM 546 C SER A 39 8.039 5.174 0.592 1.00 0.00 C ATOM 547 O SER A 39 7.364 4.280 1.064 1.00 0.00 O ATOM 548 CB SER A 39 6.595 6.900 1.712 1.00 0.00 C ATOM 549 OG SER A 39 6.103 5.757 2.402 1.00 0.00 O ATOM 0 H SER A 39 7.516 7.730 -0.592 1.00 0.00 H new ATOM 0 HA SER A 39 8.717 6.704 1.957 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.640 7.754 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.917 7.169 0.902 1.00 0.00 H new ATOM 0 HG SER A 39 6.798 5.067 2.429 1.00 0.00 H new ATOM 555 N GLU A 40 8.839 4.965 -0.423 1.00 0.00 N ATOM 556 CA GLU A 40 8.948 3.610 -1.035 1.00 0.00 C ATOM 557 C GLU A 40 9.584 2.649 -0.035 1.00 0.00 C ATOM 558 O GLU A 40 9.543 1.447 -0.199 1.00 0.00 O ATOM 559 CB GLU A 40 9.812 3.687 -2.297 1.00 0.00 C ATOM 560 CG GLU A 40 11.224 4.160 -1.931 1.00 0.00 C ATOM 561 CD GLU A 40 12.050 4.340 -3.205 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.745 3.677 -4.184 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.975 5.132 -3.181 1.00 0.00 O ATOM 0 H GLU A 40 9.424 5.680 -0.855 1.00 0.00 H new ATOM 0 HA GLU A 40 7.954 3.249 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.859 2.710 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.363 4.373 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.173 5.101 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.703 3.434 -1.274 1.00 0.00 H new ATOM 570 N GLU A 41 10.167 3.160 1.006 1.00 0.00 N ATOM 571 CA GLU A 41 10.784 2.259 2.010 1.00 0.00 C ATOM 572 C GLU A 41 9.682 1.399 2.635 1.00 0.00 C ATOM 573 O GLU A 41 9.883 0.242 2.947 1.00 0.00 O ATOM 574 CB GLU A 41 11.476 3.094 3.091 1.00 0.00 C ATOM 575 CG GLU A 41 10.450 3.999 3.776 1.00 0.00 C ATOM 576 CD GLU A 41 11.167 4.969 4.717 1.00 0.00 C ATOM 577 OE1 GLU A 41 12.256 5.399 4.376 1.00 0.00 O ATOM 578 OE2 GLU A 41 10.612 5.270 5.761 1.00 0.00 O ATOM 0 H GLU A 41 10.243 4.157 1.205 1.00 0.00 H new ATOM 0 HA GLU A 41 11.526 1.617 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 41 11.946 2.439 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.269 3.697 2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.883 4.554 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.735 3.396 4.335 1.00 0.00 H new ATOM 585 N ASN A 42 8.516 1.962 2.818 1.00 0.00 N ATOM 586 CA ASN A 42 7.393 1.188 3.422 1.00 0.00 C ATOM 587 C ASN A 42 7.046 -0.034 2.563 1.00 0.00 C ATOM 588 O ASN A 42 6.988 -1.144 3.053 1.00 0.00 O ATOM 589 CB ASN A 42 6.162 2.090 3.522 1.00 0.00 C ATOM 590 CG ASN A 42 6.376 3.128 4.625 1.00 0.00 C ATOM 591 OD1 ASN A 42 7.156 2.917 5.531 1.00 0.00 O ATOM 592 ND2 ASN A 42 5.710 4.250 4.586 1.00 0.00 N ATOM 0 H ASN A 42 8.293 2.927 2.574 1.00 0.00 H new ATOM 0 HA ASN A 42 7.699 0.845 4.411 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.985 2.588 2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.277 1.492 3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.845 4.949 5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.055 4.428 3.825 1.00 0.00 H new ATOM 599 N ILE A 43 6.802 0.152 1.289 1.00 0.00 N ATOM 600 CA ILE A 43 6.449 -1.020 0.433 1.00 0.00 C ATOM 601 C ILE A 43 7.675 -1.914 0.243 1.00 0.00 C ATOM 602 O ILE A 43 7.579 -3.125 0.266 1.00 0.00 O ATOM 603 CB ILE A 43 5.920 -0.544 -0.928 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.330 -1.736 -1.703 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.051 0.080 -1.748 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.022 -2.217 -1.050 1.00 0.00 C ATOM 0 H ILE A 43 6.831 1.052 0.811 1.00 0.00 H new ATOM 0 HA ILE A 43 5.666 -1.596 0.927 1.00 0.00 H new ATOM 0 HB ILE A 43 5.146 0.204 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.141 -1.446 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.051 -2.553 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.662 0.413 -2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.464 0.933 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.834 -0.660 -1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.622 -3.060 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.220 -2.528 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.296 -1.404 -1.049 1.00 0.00 H new ATOM 618 N ASP A 44 8.831 -1.334 0.063 1.00 0.00 N ATOM 619 CA ASP A 44 10.050 -2.167 -0.119 1.00 0.00 C ATOM 620 C ASP A 44 10.245 -3.026 1.131 1.00 0.00 C ATOM 621 O ASP A 44 10.485 -4.214 1.053 1.00 0.00 O ATOM 622 CB ASP A 44 11.264 -1.258 -0.325 1.00 0.00 C ATOM 623 CG ASP A 44 11.160 -0.580 -1.692 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.394 -1.060 -2.513 1.00 0.00 O ATOM 625 OD2 ASP A 44 11.848 0.407 -1.898 1.00 0.00 O ATOM 0 H ASP A 44 8.982 -0.326 0.034 1.00 0.00 H new ATOM 0 HA ASP A 44 9.940 -2.809 -0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.309 -0.507 0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.183 -1.840 -0.264 1.00 0.00 H new ATOM 630 N PHE A 45 10.105 -2.434 2.286 1.00 0.00 N ATOM 631 CA PHE A 45 10.238 -3.209 3.550 1.00 0.00 C ATOM 632 C PHE A 45 9.110 -4.238 3.601 1.00 0.00 C ATOM 633 O PHE A 45 9.292 -5.360 4.029 1.00 0.00 O ATOM 634 CB PHE A 45 10.128 -2.253 4.745 1.00 0.00 C ATOM 635 CG PHE A 45 10.032 -3.037 6.035 1.00 0.00 C ATOM 636 CD1 PHE A 45 8.784 -3.473 6.493 1.00 0.00 C ATOM 637 CD2 PHE A 45 11.186 -3.313 6.780 1.00 0.00 C ATOM 638 CE1 PHE A 45 8.686 -4.187 7.693 1.00 0.00 C ATOM 639 CE2 PHE A 45 11.089 -4.030 7.982 1.00 0.00 C ATOM 640 CZ PHE A 45 9.838 -4.465 8.437 1.00 0.00 C ATOM 0 H PHE A 45 9.903 -1.442 2.408 1.00 0.00 H new ATOM 0 HA PHE A 45 11.203 -3.714 3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.997 -1.595 4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.250 -1.617 4.631 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.894 -3.258 5.920 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.150 -2.974 6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.722 -4.523 8.044 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.978 -4.246 8.556 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.762 -5.016 9.363 1.00 0.00 H new ATOM 650 N TRP A 46 7.945 -3.852 3.163 1.00 0.00 N ATOM 651 CA TRP A 46 6.790 -4.787 3.177 1.00 0.00 C ATOM 652 C TRP A 46 7.123 -6.007 2.317 1.00 0.00 C ATOM 653 O TRP A 46 6.892 -7.132 2.708 1.00 0.00 O ATOM 654 CB TRP A 46 5.566 -4.075 2.601 1.00 0.00 C ATOM 655 CG TRP A 46 4.372 -4.968 2.678 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.630 -5.168 3.790 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.761 -5.771 1.626 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.607 -6.048 3.491 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.645 -6.448 2.170 1.00 0.00 C ATOM 660 CE3 TRP A 46 4.065 -5.980 0.268 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.856 -7.298 1.396 1.00 0.00 C ATOM 662 CZ3 TRP A 46 3.272 -6.835 -0.515 1.00 0.00 C ATOM 663 CH2 TRP A 46 2.171 -7.493 0.049 1.00 0.00 C ATOM 0 H TRP A 46 7.744 -2.923 2.794 1.00 0.00 H new ATOM 0 HA TRP A 46 6.581 -5.107 4.198 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.378 -3.154 3.153 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.753 -3.793 1.565 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.807 -4.715 4.754 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.909 -6.364 4.164 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.913 -5.480 -0.175 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 1.007 -7.802 1.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.512 -6.986 -1.557 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.566 -8.151 -0.557 1.00 0.00 H new ATOM 674 N ILE A 47 7.672 -5.798 1.153 1.00 0.00 N ATOM 675 CA ILE A 47 8.015 -6.955 0.284 1.00 0.00 C ATOM 676 C ILE A 47 9.013 -7.849 1.021 1.00 0.00 C ATOM 677 O ILE A 47 8.863 -9.054 1.062 1.00 0.00 O ATOM 678 CB ILE A 47 8.629 -6.449 -1.024 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.552 -5.712 -1.822 1.00 0.00 C ATOM 680 CG2 ILE A 47 9.153 -7.637 -1.841 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.193 -4.985 -3.003 1.00 0.00 C ATOM 0 H ILE A 47 7.897 -4.880 0.768 1.00 0.00 H new ATOM 0 HA ILE A 47 7.116 -7.527 0.053 1.00 0.00 H new ATOM 0 HB ILE A 47 9.457 -5.774 -0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.804 -6.419 -2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.035 -4.998 -1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.590 -7.274 -2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.912 -8.167 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.330 -8.315 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.423 -4.461 -3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.924 -4.266 -2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.690 -5.709 -3.650 1.00 0.00 H new ATOM 693 N SER A 48 10.018 -7.274 1.620 1.00 0.00 N ATOM 694 CA SER A 48 10.998 -8.107 2.370 1.00 0.00 C ATOM 695 C SER A 48 10.304 -8.672 3.609 1.00 0.00 C ATOM 696 O SER A 48 10.489 -9.815 3.975 1.00 0.00 O ATOM 697 CB SER A 48 12.187 -7.248 2.800 1.00 0.00 C ATOM 698 OG SER A 48 11.765 -6.335 3.806 1.00 0.00 O ATOM 0 H SER A 48 10.202 -6.271 1.623 1.00 0.00 H new ATOM 0 HA SER A 48 11.358 -8.917 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.989 -7.880 3.180 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.587 -6.705 1.944 1.00 0.00 H new ATOM 0 HG SER A 48 10.930 -5.905 3.528 1.00 0.00 H new ATOM 704 N CYS A 49 9.491 -7.874 4.251 1.00 0.00 N ATOM 705 CA CYS A 49 8.772 -8.359 5.460 1.00 0.00 C ATOM 706 C CYS A 49 7.793 -9.461 5.051 1.00 0.00 C ATOM 707 O CYS A 49 7.614 -10.437 5.752 1.00 0.01 O ATOM 708 CB CYS A 49 8.009 -7.197 6.101 1.00 0.00 C ATOM 709 SG CYS A 49 7.627 -7.616 7.819 1.00 0.01 S ATOM 0 H CYS A 49 9.296 -6.908 3.988 1.00 0.00 H new ATOM 0 HA CYS A 49 9.486 -8.757 6.181 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.607 -6.286 6.060 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.090 -7.000 5.549 1.00 0.00 H new ATOM 0 HG CYS A 49 7.812 -6.572 8.572 1.00 0.01 H new ATOM 715 N GLU A 50 7.168 -9.319 3.914 1.00 0.00 N ATOM 716 CA GLU A 50 6.213 -10.366 3.460 1.00 0.00 C ATOM 717 C GLU A 50 6.966 -11.689 3.323 1.00 0.01 C ATOM 718 O GLU A 50 6.468 -12.737 3.686 1.00 0.00 O ATOM 719 CB GLU A 50 5.598 -9.964 2.112 1.00 0.01 C ATOM 720 CG GLU A 50 4.478 -8.940 2.337 1.00 0.00 C ATOM 721 CD GLU A 50 3.281 -9.624 3.001 1.00 0.01 C ATOM 722 OE1 GLU A 50 3.186 -10.836 2.903 1.00 0.00 O ATOM 723 OE2 GLU A 50 2.480 -8.923 3.597 1.00 0.01 O ATOM 0 H GLU A 50 7.278 -8.526 3.283 1.00 0.00 H new ATOM 0 HA GLU A 50 5.408 -10.476 4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.365 -9.541 1.463 1.00 0.01 H new ATOM 0 HB3 GLU A 50 5.202 -10.844 1.605 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.838 -8.125 2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.177 -8.501 1.386 1.00 0.00 H new ATOM 730 N GLU A 51 8.172 -11.654 2.819 1.00 0.01 N ATOM 731 CA GLU A 51 8.952 -12.914 2.688 1.00 0.00 C ATOM 732 C GLU A 51 9.120 -13.509 4.085 1.00 0.01 C ATOM 733 O GLU A 51 9.005 -14.700 4.293 1.00 0.00 O ATOM 734 CB GLU A 51 10.332 -12.597 2.106 1.00 0.00 C ATOM 735 CG GLU A 51 10.189 -12.181 0.644 1.00 0.00 C ATOM 736 CD GLU A 51 11.571 -11.866 0.068 1.00 0.00 C ATOM 737 OE1 GLU A 51 12.512 -11.801 0.842 1.00 0.00 O ATOM 738 OE2 GLU A 51 11.665 -11.697 -1.137 1.00 0.01 O ATOM 0 H GLU A 51 8.646 -10.811 2.495 1.00 0.01 H new ATOM 0 HA GLU A 51 8.438 -13.616 2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.804 -11.798 2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.980 -13.470 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.718 -12.980 0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.542 -11.307 0.565 1.00 0.00 H new ATOM 745 N TYR A 52 9.373 -12.664 5.044 1.00 0.00 N ATOM 746 CA TYR A 52 9.537 -13.125 6.449 1.00 0.01 C ATOM 747 C TYR A 52 8.205 -13.707 6.932 1.00 0.01 C ATOM 748 O TYR A 52 8.156 -14.697 7.635 1.00 0.01 O ATOM 749 CB TYR A 52 9.909 -11.919 7.315 1.00 0.00 C ATOM 750 CG TYR A 52 10.382 -12.378 8.674 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.455 -12.700 9.672 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.752 -12.473 8.936 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.901 -13.117 10.933 1.00 0.01 C ATOM 754 CE2 TYR A 52 12.196 -12.887 10.195 1.00 0.00 C ATOM 755 CZ TYR A 52 11.272 -13.210 11.193 1.00 0.01 C ATOM 756 OH TYR A 52 11.715 -13.619 12.434 1.00 0.01 O ATOM 0 H TYR A 52 9.475 -11.658 4.911 1.00 0.00 H new ATOM 0 HA TYR A 52 10.316 -13.884 6.516 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.692 -11.339 6.826 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.047 -11.261 7.425 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.397 -12.627 9.470 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.467 -12.226 8.165 1.00 0.01 H new ATOM 0 HE1 TYR A 52 9.187 -13.366 11.704 1.00 0.01 H new ATOM 0 HE2 TYR A 52 13.255 -12.957 10.397 1.00 0.00 H new ATOM 0 HH TYR A 52 10.952 -13.916 12.972 1.00 0.01 H new ATOM 766 N LYS A 53 7.129 -13.070 6.560 1.00 0.01 N ATOM 767 CA LYS A 53 5.774 -13.528 6.983 1.00 0.01 C ATOM 768 C LYS A 53 5.432 -14.877 6.345 1.00 0.01 C ATOM 769 O LYS A 53 4.593 -15.605 6.840 1.00 0.01 O ATOM 770 CB LYS A 53 4.745 -12.490 6.523 1.00 0.01 C ATOM 771 CG LYS A 53 4.978 -11.147 7.243 1.00 0.00 C ATOM 772 CD LYS A 53 4.222 -11.120 8.585 1.00 0.00 C ATOM 773 CE LYS A 53 2.697 -11.052 8.356 1.00 0.01 C ATOM 774 NZ LYS A 53 2.123 -12.424 8.429 1.00 0.00 N ATOM 0 H LYS A 53 7.131 -12.237 5.971 1.00 0.01 H new ATOM 0 HA LYS A 53 5.759 -13.640 8.067 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.818 -12.349 5.445 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.737 -12.851 6.730 1.00 0.01 H new ATOM 0 HG2 LYS A 53 6.044 -11.000 7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.641 -10.325 6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.468 -12.011 9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.545 -10.260 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.234 -10.412 9.107 1.00 0.01 H new ATOM 0 HE3 LYS A 53 2.484 -10.608 7.384 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 1.693 -12.670 7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.877 -13.105 8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.397 -12.457 9.173 1.00 0.00 H new ATOM 788 N LYS A 54 6.049 -15.216 5.247 1.00 0.00 N ATOM 789 CA LYS A 54 5.720 -16.516 4.586 1.00 0.01 C ATOM 790 C LYS A 54 6.538 -17.644 5.212 1.00 0.01 C ATOM 791 O LYS A 54 6.093 -18.773 5.286 1.00 0.01 O ATOM 792 CB LYS A 54 6.043 -16.421 3.094 1.00 0.01 C ATOM 793 CG LYS A 54 5.043 -15.483 2.415 1.00 0.01 C ATOM 794 CD LYS A 54 5.364 -15.388 0.923 1.00 0.00 C ATOM 795 CE LYS A 54 4.363 -14.448 0.247 1.00 0.01 C ATOM 796 NZ LYS A 54 4.527 -13.073 0.794 1.00 0.01 N ATOM 0 H LYS A 54 6.762 -14.656 4.780 1.00 0.00 H new ATOM 0 HA LYS A 54 4.659 -16.728 4.722 1.00 0.01 H new ATOM 0 HB2 LYS A 54 7.059 -16.051 2.954 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.998 -17.410 2.638 1.00 0.01 H new ATOM 0 HG2 LYS A 54 4.028 -15.853 2.556 1.00 0.01 H new ATOM 0 HG3 LYS A 54 5.088 -14.494 2.871 1.00 0.01 H new ATOM 0 HD2 LYS A 54 6.380 -15.019 0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.317 -16.376 0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.523 -14.444 -0.831 1.00 0.01 H new ATOM 0 HE3 LYS A 54 3.345 -14.800 0.417 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 4.086 -12.388 0.148 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 4.070 -13.014 1.726 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 5.540 -12.856 0.890 1.00 0.01 H new ATOM 810 N ILE A 55 7.721 -17.357 5.669 1.00 0.01 N ATOM 811 CA ILE A 55 8.545 -18.428 6.298 1.00 0.01 C ATOM 812 C ILE A 55 7.949 -18.775 7.665 1.00 0.00 C ATOM 813 O ILE A 55 7.881 -17.947 8.552 1.00 0.01 O ATOM 814 CB ILE A 55 9.982 -17.930 6.453 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.615 -17.782 5.062 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.790 -18.937 7.281 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.827 -16.858 5.149 1.00 0.01 C ATOM 0 H ILE A 55 8.154 -16.434 5.636 1.00 0.01 H new ATOM 0 HA ILE A 55 8.547 -19.321 5.673 1.00 0.01 H new ATOM 0 HB ILE A 55 9.983 -16.966 6.962 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.915 -18.758 4.682 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.886 -17.377 4.360 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.814 -18.580 7.390 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.336 -19.045 8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.795 -19.903 6.776 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.276 -16.753 4.161 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.513 -15.879 5.511 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.559 -17.281 5.837 1.00 0.01 H new ATOM 829 N LYS A 56 7.512 -19.995 7.839 1.00 0.01 N ATOM 830 CA LYS A 56 6.909 -20.407 9.144 1.00 0.01 C ATOM 831 C LYS A 56 7.954 -21.142 9.983 1.00 0.01 C ATOM 832 O LYS A 56 7.684 -21.577 11.083 1.00 0.01 O ATOM 833 CB LYS A 56 5.728 -21.340 8.874 1.00 0.01 C ATOM 834 CG LYS A 56 4.641 -20.582 8.110 1.00 0.01 C ATOM 835 CD LYS A 56 3.459 -21.516 7.841 1.00 0.00 C ATOM 836 CE LYS A 56 2.370 -20.761 7.077 1.00 0.00 C ATOM 837 NZ LYS A 56 1.823 -19.678 7.940 1.00 0.00 N ATOM 0 H LYS A 56 7.547 -20.728 7.131 1.00 0.01 H new ATOM 0 HA LYS A 56 6.569 -19.524 9.685 1.00 0.01 H new ATOM 0 HB2 LYS A 56 6.058 -22.203 8.296 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.329 -21.719 9.815 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.311 -19.718 8.687 1.00 0.01 H new ATOM 0 HG3 LYS A 56 5.040 -20.203 7.169 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.789 -22.380 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.061 -21.895 8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.780 -20.338 6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.574 -21.446 6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.904 -19.367 7.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.700 -20.035 8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.483 -18.874 7.948 1.00 0.00 H new ATOM 851 N SER A 57 9.145 -21.289 9.467 1.00 0.00 N ATOM 852 CA SER A 57 10.218 -22.002 10.225 1.00 0.01 C ATOM 853 C SER A 57 11.056 -20.969 11.013 1.00 0.01 C ATOM 854 O SER A 57 11.753 -20.184 10.409 1.00 0.00 O ATOM 855 CB SER A 57 11.129 -22.714 9.223 1.00 0.01 C ATOM 856 OG SER A 57 10.407 -23.767 8.598 1.00 0.01 O ATOM 0 H SER A 57 9.424 -20.945 8.548 1.00 0.00 H new ATOM 0 HA SER A 57 9.775 -22.720 10.914 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.487 -22.008 8.474 1.00 0.01 H new ATOM 0 HB3 SER A 57 12.007 -23.112 9.731 1.00 0.01 H new ATOM 0 HG SER A 57 10.987 -24.224 7.954 1.00 0.01 H new ATOM 862 N PRO A 58 11.007 -20.941 12.339 1.00 0.00 N ATOM 863 CA PRO A 58 11.807 -19.936 13.100 1.00 0.01 C ATOM 864 C PRO A 58 13.319 -20.200 13.020 1.00 0.00 C ATOM 865 O PRO A 58 14.114 -19.470 13.578 1.00 0.00 O ATOM 866 CB PRO A 58 11.279 -20.102 14.541 1.00 0.01 C ATOM 867 CG PRO A 58 10.419 -21.379 14.600 1.00 0.01 C ATOM 868 CD PRO A 58 10.180 -21.876 13.162 1.00 0.01 C ATOM 0 HA PRO A 58 11.695 -18.926 12.706 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.110 -20.171 15.244 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.688 -19.233 14.831 1.00 0.01 H new ATOM 0 HG2 PRO A 58 10.922 -22.147 15.187 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.469 -21.173 15.092 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.496 -22.912 13.036 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.126 -21.829 12.889 1.00 0.01 H new ATOM 876 N SER A 59 13.723 -21.238 12.336 1.00 0.01 N ATOM 877 CA SER A 59 15.182 -21.541 12.231 1.00 0.01 C ATOM 878 C SER A 59 15.792 -20.789 11.045 1.00 0.01 C ATOM 879 O SER A 59 16.958 -20.446 11.053 1.00 0.01 O ATOM 880 CB SER A 59 15.378 -23.045 12.031 1.00 0.01 C ATOM 881 OG SER A 59 16.768 -23.344 12.070 1.00 0.01 O ATOM 0 H SER A 59 13.108 -21.888 11.846 1.00 0.01 H new ATOM 0 HA SER A 59 15.677 -21.223 13.149 1.00 0.01 H new ATOM 0 HB2 SER A 59 14.853 -23.599 12.809 1.00 0.01 H new ATOM 0 HB3 SER A 59 14.954 -23.356 11.076 1.00 0.01 H new ATOM 0 HG SER A 59 16.899 -24.307 11.944 1.00 0.01 H new ATOM 887 N LYS A 60 15.022 -20.533 10.019 1.00 0.00 N ATOM 888 CA LYS A 60 15.575 -19.809 8.833 1.00 0.00 C ATOM 889 C LYS A 60 15.387 -18.302 9.007 1.00 0.01 C ATOM 890 O LYS A 60 16.004 -17.510 8.323 1.00 0.01 O ATOM 891 CB LYS A 60 14.829 -20.260 7.570 1.00 0.01 C ATOM 892 CG LYS A 60 15.118 -21.743 7.269 1.00 0.01 C ATOM 893 CD LYS A 60 16.437 -21.885 6.478 1.00 0.01 C ATOM 894 CE LYS A 60 16.182 -21.694 4.974 1.00 0.01 C ATOM 895 NZ LYS A 60 17.439 -21.233 4.316 1.00 0.01 N ATOM 0 H LYS A 60 14.038 -20.792 9.950 1.00 0.00 H new ATOM 0 HA LYS A 60 16.638 -20.035 8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.757 -20.113 7.702 1.00 0.01 H new ATOM 0 HB3 LYS A 60 15.133 -19.646 6.723 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.184 -22.304 8.201 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.295 -22.171 6.697 1.00 0.01 H new ATOM 0 HD2 LYS A 60 17.159 -21.147 6.828 1.00 0.01 H new ATOM 0 HD3 LYS A 60 16.872 -22.868 6.658 1.00 0.01 H new ATOM 0 HE2 LYS A 60 15.847 -22.631 4.528 1.00 0.01 H new ATOM 0 HE3 LYS A 60 15.387 -20.964 4.818 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 17.270 -21.103 3.298 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 17.740 -20.330 4.736 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 18.185 -21.944 4.455 1.00 0.01 H new ATOM 909 N LEU A 61 14.546 -17.894 9.913 1.00 0.01 N ATOM 910 CA LEU A 61 14.337 -16.432 10.114 1.00 0.01 C ATOM 911 C LEU A 61 15.658 -15.793 10.553 1.00 0.01 C ATOM 912 O LEU A 61 15.999 -14.704 10.140 1.00 0.01 O ATOM 913 CB LEU A 61 13.282 -16.191 11.198 1.00 0.01 C ATOM 914 CG LEU A 61 11.949 -16.850 10.804 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.886 -16.563 11.881 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.470 -16.322 9.439 1.00 0.01 C ATOM 0 H LEU A 61 13.997 -18.503 10.520 1.00 0.01 H new ATOM 0 HA LEU A 61 13.995 -15.990 9.178 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.629 -16.597 12.149 1.00 0.01 H new ATOM 0 HB3 LEU A 61 13.137 -15.120 11.342 1.00 0.01 H new ATOM 0 HG LEU A 61 12.100 -17.927 10.726 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.944 -17.032 11.597 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.219 -16.967 12.837 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.742 -15.486 11.972 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.526 -16.799 9.176 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.328 -15.243 9.496 1.00 0.01 H new ATOM 0 HD23 LEU A 61 12.216 -16.550 8.678 1.00 0.01 H new ATOM 928 N SER A 62 16.397 -16.458 11.402 1.00 0.00 N ATOM 929 CA SER A 62 17.687 -15.884 11.888 1.00 0.01 C ATOM 930 C SER A 62 18.551 -15.388 10.711 1.00 0.01 C ATOM 931 O SER A 62 18.809 -14.207 10.605 1.00 0.01 O ATOM 932 CB SER A 62 18.447 -16.944 12.705 1.00 0.01 C ATOM 933 OG SER A 62 19.841 -16.852 12.433 1.00 0.01 O ATOM 0 H SER A 62 16.162 -17.376 11.781 1.00 0.00 H new ATOM 0 HA SER A 62 17.470 -15.026 12.525 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.264 -16.796 13.769 1.00 0.01 H new ATOM 0 HB3 SER A 62 18.083 -17.940 12.454 1.00 0.01 H new ATOM 0 HG SER A 62 20.322 -17.527 12.956 1.00 0.01 H new ATOM 939 N PRO A 63 19.005 -16.257 9.830 1.00 0.00 N ATOM 940 CA PRO A 63 19.848 -15.807 8.686 1.00 0.00 C ATOM 941 C PRO A 63 19.318 -14.530 8.012 1.00 0.01 C ATOM 942 O PRO A 63 19.994 -13.522 7.959 1.00 0.00 O ATOM 943 CB PRO A 63 19.787 -17.019 7.731 1.00 0.01 C ATOM 944 CG PRO A 63 19.060 -18.175 8.457 1.00 0.01 C ATOM 945 CD PRO A 63 18.733 -17.720 9.891 1.00 0.01 C ATOM 0 HA PRO A 63 20.858 -15.534 8.993 1.00 0.00 H new ATOM 0 HB2 PRO A 63 19.259 -16.754 6.815 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.792 -17.325 7.442 1.00 0.01 H new ATOM 0 HG2 PRO A 63 18.146 -18.441 7.926 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.688 -19.066 8.476 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.697 -17.930 10.158 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.360 -18.220 10.629 1.00 0.01 H new ATOM 953 N LYS A 64 18.127 -14.572 7.480 1.00 0.01 N ATOM 954 CA LYS A 64 17.578 -13.368 6.791 1.00 0.01 C ATOM 955 C LYS A 64 17.191 -12.286 7.808 1.00 0.00 C ATOM 956 O LYS A 64 17.174 -11.113 7.490 1.00 0.00 O ATOM 957 CB LYS A 64 16.350 -13.766 5.967 1.00 0.00 C ATOM 958 CG LYS A 64 15.199 -14.143 6.901 1.00 0.01 C ATOM 959 CD LYS A 64 14.064 -14.774 6.088 1.00 0.01 C ATOM 960 CE LYS A 64 13.626 -13.824 4.962 1.00 0.01 C ATOM 961 NZ LYS A 64 14.480 -14.047 3.761 1.00 0.00 N ATOM 0 H LYS A 64 17.511 -15.385 7.492 1.00 0.01 H new ATOM 0 HA LYS A 64 18.347 -12.962 6.134 1.00 0.01 H new ATOM 0 HB2 LYS A 64 16.051 -12.940 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.594 -14.607 5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.548 -14.842 7.661 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.837 -13.258 7.424 1.00 0.01 H new ATOM 0 HD2 LYS A 64 14.394 -15.723 5.665 1.00 0.01 H new ATOM 0 HD3 LYS A 64 13.218 -14.992 6.740 1.00 0.01 H new ATOM 0 HE2 LYS A 64 12.579 -13.996 4.713 1.00 0.01 H new ATOM 0 HE3 LYS A 64 13.709 -12.789 5.293 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 15.067 -13.205 3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.094 -14.871 3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.876 -14.220 2.933 1.00 0.00 H new ATOM 975 N ALA A 65 16.879 -12.652 9.025 1.00 0.00 N ATOM 976 CA ALA A 65 16.499 -11.611 10.023 1.00 0.01 C ATOM 977 C ALA A 65 17.643 -10.610 10.144 1.00 0.01 C ATOM 978 O ALA A 65 17.445 -9.411 10.093 1.00 0.01 O ATOM 979 CB ALA A 65 16.254 -12.257 11.390 1.00 0.01 C ATOM 0 H ALA A 65 16.871 -13.613 9.366 1.00 0.00 H new ATOM 0 HA ALA A 65 15.587 -11.111 9.696 1.00 0.01 H new ATOM 0 HB1 ALA A 65 15.977 -11.488 12.111 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.447 -12.986 11.309 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.163 -12.758 11.724 1.00 0.01 H new ATOM 985 N LYS A 66 18.840 -11.097 10.301 1.00 0.01 N ATOM 986 CA LYS A 66 20.008 -10.188 10.422 1.00 0.00 C ATOM 987 C LYS A 66 20.154 -9.371 9.136 1.00 0.01 C ATOM 988 O LYS A 66 20.419 -8.186 9.171 1.00 0.01 O ATOM 989 CB LYS A 66 21.270 -11.023 10.634 1.00 0.01 C ATOM 990 CG LYS A 66 21.233 -11.667 12.021 1.00 0.01 C ATOM 991 CD LYS A 66 22.499 -12.502 12.229 1.00 0.01 C ATOM 992 CE LYS A 66 22.465 -13.146 13.615 1.00 0.00 C ATOM 993 NZ LYS A 66 21.275 -14.036 13.717 1.00 0.00 N ATOM 0 H LYS A 66 19.060 -12.092 10.351 1.00 0.01 H new ATOM 0 HA LYS A 66 19.863 -9.514 11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.342 -11.793 9.866 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.155 -10.394 10.538 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.162 -10.897 12.789 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.349 -12.297 12.118 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.570 -13.272 11.461 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.383 -11.872 12.131 1.00 0.01 H new ATOM 0 HE2 LYS A 66 23.377 -13.719 13.785 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.424 -12.376 14.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.417 -14.718 14.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.429 -13.463 13.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.147 -14.549 12.821 1.00 0.00 H new ATOM 1007 N LYS A 67 19.990 -9.997 8.000 1.00 0.00 N ATOM 1008 CA LYS A 67 20.127 -9.253 6.715 1.00 0.00 C ATOM 1009 C LYS A 67 19.061 -8.163 6.650 1.00 0.01 C ATOM 1010 O LYS A 67 19.353 -7.009 6.407 1.00 0.01 O ATOM 1011 CB LYS A 67 19.937 -10.219 5.544 1.00 0.00 C ATOM 1012 CG LYS A 67 21.126 -11.179 5.478 1.00 0.01 C ATOM 1013 CD LYS A 67 20.937 -12.145 4.308 1.00 0.00 C ATOM 1014 CE LYS A 67 22.125 -13.105 4.243 1.00 0.00 C ATOM 1015 NZ LYS A 67 21.810 -14.219 3.304 1.00 0.01 N ATOM 0 H LYS A 67 19.768 -10.988 7.907 1.00 0.00 H new ATOM 0 HA LYS A 67 21.118 -8.802 6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.010 -10.779 5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.852 -9.663 4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.053 -10.619 5.355 1.00 0.01 H new ATOM 0 HG3 LYS A 67 21.211 -11.734 6.412 1.00 0.01 H new ATOM 0 HD2 LYS A 67 20.010 -12.705 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.853 -11.590 3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.017 -12.575 3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.341 -13.501 5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.617 -14.873 3.258 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 20.969 -14.730 3.641 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 21.624 -13.832 2.357 1.00 0.01 H new ATOM 1029 N ILE A 68 17.826 -8.517 6.880 1.00 0.01 N ATOM 1030 CA ILE A 68 16.749 -7.493 6.847 1.00 0.00 C ATOM 1031 C ILE A 68 17.050 -6.450 7.917 1.00 0.01 C ATOM 1032 O ILE A 68 17.053 -5.261 7.666 1.00 0.00 O ATOM 1033 CB ILE A 68 15.404 -8.158 7.150 1.00 0.01 C ATOM 1034 CG1 ILE A 68 15.026 -9.088 5.996 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.326 -7.087 7.311 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.857 -9.976 6.419 1.00 0.00 C ATOM 0 H ILE A 68 17.519 -9.467 7.088 1.00 0.01 H new ATOM 0 HA ILE A 68 16.703 -7.025 5.864 1.00 0.00 H new ATOM 0 HB ILE A 68 15.485 -8.732 8.073 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.753 -8.503 5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.881 -9.703 5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.369 -7.563 7.527 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.594 -6.422 8.132 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.245 -6.511 6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.587 -10.639 5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.147 -10.571 7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.001 -9.352 6.678 1.00 0.00 H new ATOM 1048 N TYR A 69 17.317 -6.898 9.113 1.00 0.00 N ATOM 1049 CA TYR A 69 17.632 -5.949 10.209 1.00 0.01 C ATOM 1050 C TYR A 69 18.868 -5.134 9.837 1.00 0.00 C ATOM 1051 O TYR A 69 18.882 -3.923 9.924 1.00 0.01 O ATOM 1052 CB TYR A 69 17.914 -6.722 11.497 1.00 0.01 C ATOM 1053 CG TYR A 69 18.267 -5.746 12.592 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.597 -5.349 12.772 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.266 -5.239 13.427 1.00 0.00 C ATOM 1056 CE1 TYR A 69 19.926 -4.442 13.787 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.593 -4.333 14.442 1.00 0.01 C ATOM 1058 CZ TYR A 69 18.924 -3.935 14.621 1.00 0.01 C ATOM 1059 OH TYR A 69 19.247 -3.041 15.622 1.00 0.01 O ATOM 0 H TYR A 69 17.330 -7.884 9.376 1.00 0.00 H new ATOM 0 HA TYR A 69 16.782 -5.284 10.361 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.040 -7.308 11.783 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.732 -7.425 11.342 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.370 -5.742 12.128 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.240 -5.547 13.288 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.952 -4.134 13.926 1.00 0.01 H new ATOM 0 HE2 TYR A 69 16.820 -3.941 15.087 1.00 0.01 H new ATOM 0 HH TYR A 69 18.435 -2.787 16.108 1.00 0.01 H new ATOM 1069 N ASN A 70 19.912 -5.800 9.425 1.00 0.01 N ATOM 1070 CA ASN A 70 21.158 -5.082 9.048 1.00 0.00 C ATOM 1071 C ASN A 70 20.875 -4.170 7.856 1.00 0.00 C ATOM 1072 O ASN A 70 21.379 -3.073 7.759 1.00 0.01 O ATOM 1073 CB ASN A 70 22.238 -6.093 8.659 1.00 0.00 C ATOM 1074 CG ASN A 70 22.705 -6.851 9.902 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.581 -6.363 11.007 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.238 -8.034 9.767 1.00 0.01 N ATOM 0 H ASN A 70 19.954 -6.815 9.334 1.00 0.01 H new ATOM 0 HA ASN A 70 21.502 -4.489 9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.846 -6.792 7.920 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.081 -5.580 8.196 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.551 -8.549 10.590 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.342 -8.444 8.839 1.00 0.01 H new ATOM 1083 N GLU A 71 20.100 -4.637 6.925 1.00 0.00 N ATOM 1084 CA GLU A 71 19.808 -3.822 5.715 1.00 0.00 C ATOM 1085 C GLU A 71 18.773 -2.721 6.010 1.00 0.00 C ATOM 1086 O GLU A 71 19.033 -1.552 5.812 1.00 0.00 O ATOM 1087 CB GLU A 71 19.271 -4.754 4.624 1.00 0.00 C ATOM 1088 CG GLU A 71 19.029 -3.970 3.330 1.00 0.00 C ATOM 1089 CD GLU A 71 18.502 -4.920 2.252 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.527 -6.118 2.483 1.00 0.00 O ATOM 1091 OE2 GLU A 71 18.086 -4.434 1.213 1.00 0.00 O ATOM 0 H GLU A 71 19.652 -5.553 6.948 1.00 0.00 H new ATOM 0 HA GLU A 71 20.726 -3.332 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.982 -5.560 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.342 -5.217 4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.312 -3.168 3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.955 -3.502 2.997 1.00 0.00 H new ATOM 1098 N PHE A 72 17.585 -3.087 6.422 1.00 0.00 N ATOM 1099 CA PHE A 72 16.518 -2.057 6.659 1.00 0.00 C ATOM 1100 C PHE A 72 16.556 -1.418 8.061 1.00 0.00 C ATOM 1101 O PHE A 72 16.161 -0.278 8.215 1.00 0.00 O ATOM 1102 CB PHE A 72 15.149 -2.715 6.455 1.00 0.00 C ATOM 1103 CG PHE A 72 14.945 -3.016 4.989 1.00 0.00 C ATOM 1104 CD1 PHE A 72 14.350 -2.062 4.157 1.00 0.00 C ATOM 1105 CD2 PHE A 72 15.352 -4.246 4.461 1.00 0.00 C ATOM 1106 CE1 PHE A 72 14.160 -2.336 2.797 1.00 0.00 C ATOM 1107 CE2 PHE A 72 15.163 -4.523 3.101 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.567 -3.567 2.270 1.00 0.00 C ATOM 0 H PHE A 72 17.305 -4.051 6.605 1.00 0.00 H new ATOM 0 HA PHE A 72 16.700 -1.251 5.948 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.086 -3.634 7.038 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.360 -2.055 6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 72 14.036 -1.112 4.564 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.812 -4.983 5.103 1.00 0.00 H new ATOM 0 HE1 PHE A 72 13.700 -1.599 2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 72 15.477 -5.473 2.694 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.421 -3.780 1.221 1.00 0.00 H new ATOM 1118 N ILE A 73 16.963 -2.123 9.093 1.00 0.00 N ATOM 1119 CA ILE A 73 16.930 -1.507 10.473 1.00 0.00 C ATOM 1120 C ILE A 73 18.298 -0.966 10.909 1.00 0.00 C ATOM 1121 O ILE A 73 18.386 -0.252 11.889 1.00 0.01 O ATOM 1122 CB ILE A 73 16.479 -2.563 11.486 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.098 -3.122 11.081 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.405 -1.943 12.888 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.054 -1.998 10.976 1.00 0.00 C ATOM 0 H ILE A 73 17.311 -3.081 9.048 1.00 0.00 H new ATOM 0 HA ILE A 73 16.234 -0.669 10.436 1.00 0.00 H new ATOM 0 HB ILE A 73 17.202 -3.379 11.498 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.178 -3.639 10.125 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.771 -3.859 11.815 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.084 -2.700 13.604 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.388 -1.569 13.173 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.690 -1.120 12.885 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.091 -2.421 10.689 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.958 -1.499 11.940 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.371 -1.276 10.224 1.00 0.00 H new ATOM 1137 N SER A 74 19.363 -1.274 10.229 1.00 0.01 N ATOM 1138 CA SER A 74 20.673 -0.729 10.689 1.00 0.00 C ATOM 1139 C SER A 74 20.610 0.793 10.668 1.00 0.00 C ATOM 1140 O SER A 74 20.186 1.394 9.701 1.00 0.01 O ATOM 1141 CB SER A 74 21.801 -1.187 9.767 1.00 0.00 C ATOM 1142 OG SER A 74 21.484 -0.838 8.426 1.00 0.01 O ATOM 0 H SER A 74 19.389 -1.863 9.397 1.00 0.01 H new ATOM 0 HA SER A 74 20.870 -1.093 11.698 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.740 -0.721 10.064 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.940 -2.265 9.851 1.00 0.00 H new ATOM 0 HG SER A 74 21.411 -1.652 7.885 1.00 0.01 H new ATOM 1148 N VAL A 75 21.041 1.430 11.719 1.00 0.01 N ATOM 1149 CA VAL A 75 21.011 2.912 11.740 1.00 0.01 C ATOM 1150 C VAL A 75 21.884 3.425 10.590 1.00 0.00 C ATOM 1151 O VAL A 75 21.823 4.578 10.212 1.00 0.00 O ATOM 1152 CB VAL A 75 21.542 3.422 13.083 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.667 2.870 14.212 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.990 2.959 13.280 1.00 0.00 C ATOM 0 H VAL A 75 21.411 0.988 12.560 1.00 0.01 H new ATOM 0 HA VAL A 75 19.990 3.274 11.618 1.00 0.01 H new ATOM 0 HB VAL A 75 21.513 4.512 13.095 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.040 3.230 15.171 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.639 3.206 14.073 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.698 1.781 14.197 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.362 3.325 14.237 1.00 0.00 H new ATOM 0 HG22 VAL A 75 23.028 1.870 13.268 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.611 3.353 12.475 1.00 0.00 H new ATOM 1164 N GLN A 76 22.695 2.562 10.028 1.00 0.01 N ATOM 1165 CA GLN A 76 23.580 2.967 8.891 1.00 0.01 C ATOM 1166 C GLN A 76 22.948 2.511 7.574 1.00 0.01 C ATOM 1167 O GLN A 76 23.518 2.666 6.512 1.00 0.01 O ATOM 1168 CB GLN A 76 24.941 2.285 9.043 1.00 0.00 C ATOM 1169 CG GLN A 76 25.688 2.875 10.239 1.00 0.01 C ATOM 1170 CD GLN A 76 27.048 2.188 10.383 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.223 1.064 9.951 1.00 0.01 O ATOM 1172 NE2 GLN A 76 28.024 2.818 10.975 1.00 0.01 N ATOM 0 H GLN A 76 22.782 1.586 10.311 1.00 0.01 H new ATOM 0 HA GLN A 76 23.702 4.050 8.893 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.807 1.212 9.180 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.528 2.419 8.134 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.824 3.948 10.103 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.103 2.740 11.149 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.877 3.760 11.337 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.934 2.369 11.076 1.00 0.01 H new ATOM 1181 N ALA A 77 21.781 1.935 7.641 1.00 0.01 N ATOM 1182 CA ALA A 77 21.109 1.451 6.401 1.00 0.00 C ATOM 1183 C ALA A 77 21.123 2.547 5.337 1.00 0.01 C ATOM 1184 O ALA A 77 20.979 3.717 5.634 1.00 0.00 O ATOM 1185 CB ALA A 77 19.661 1.080 6.721 1.00 0.00 C ATOM 0 H ALA A 77 21.261 1.777 8.504 1.00 0.01 H new ATOM 0 HA ALA A 77 21.642 0.578 6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.168 0.726 5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.645 0.293 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.136 1.957 7.101 1.00 0.00 H new ATOM 1191 N THR A 78 21.289 2.175 4.097 1.00 0.01 N ATOM 1192 CA THR A 78 21.303 3.192 3.010 1.00 0.01 C ATOM 1193 C THR A 78 19.892 3.752 2.850 1.00 0.01 C ATOM 1194 O THR A 78 19.692 4.840 2.347 1.00 0.00 O ATOM 1195 CB THR A 78 21.745 2.534 1.701 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.760 1.593 1.293 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.079 1.821 1.914 1.00 0.01 C ATOM 0 H THR A 78 21.415 1.210 3.791 1.00 0.01 H new ATOM 0 HA THR A 78 21.997 3.995 3.258 1.00 0.01 H new ATOM 0 HB THR A 78 21.863 3.295 0.930 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.039 1.171 0.454 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.394 1.352 0.982 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.832 2.544 2.229 1.00 0.01 H new ATOM 0 HG23 THR A 78 22.965 1.057 2.683 1.00 0.01 H new ATOM 1205 N LYS A 79 18.910 3.012 3.294 1.00 0.00 N ATOM 1206 CA LYS A 79 17.495 3.478 3.198 1.00 0.00 C ATOM 1207 C LYS A 79 16.775 3.124 4.502 1.00 0.00 C ATOM 1208 O LYS A 79 16.098 2.121 4.607 1.00 0.00 O ATOM 1209 CB LYS A 79 16.803 2.805 2.003 1.00 0.00 C ATOM 1210 CG LYS A 79 17.156 1.313 1.946 1.00 0.00 C ATOM 1211 CD LYS A 79 16.527 0.692 0.695 1.00 0.01 C ATOM 1212 CE LYS A 79 16.700 -0.827 0.731 1.00 0.00 C ATOM 1213 NZ LYS A 79 18.152 -1.162 0.790 1.00 0.00 N ATOM 0 H LYS A 79 19.030 2.095 3.724 1.00 0.00 H new ATOM 0 HA LYS A 79 17.465 4.557 3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.723 2.926 2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.108 3.292 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.238 1.184 1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.792 0.807 2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.468 0.946 0.644 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.996 1.100 -0.200 1.00 0.01 H new ATOM 0 HE2 LYS A 79 16.185 -1.242 1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.248 -1.276 -0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.284 -2.171 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.669 -0.590 0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.517 -0.958 1.742 1.00 0.00 H new ATOM 1227 N GLU A 80 16.927 3.944 5.502 1.00 0.00 N ATOM 1228 CA GLU A 80 16.271 3.664 6.808 1.00 0.00 C ATOM 1229 C GLU A 80 14.752 3.690 6.636 1.00 0.00 C ATOM 1230 O GLU A 80 14.213 4.474 5.882 1.00 0.00 O ATOM 1231 CB GLU A 80 16.689 4.728 7.823 1.00 0.00 C ATOM 1232 CG GLU A 80 18.164 4.539 8.181 1.00 0.00 C ATOM 1233 CD GLU A 80 18.587 5.612 9.185 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.787 6.495 9.449 1.00 0.00 O ATOM 1235 OE2 GLU A 80 19.703 5.535 9.670 1.00 0.01 O ATOM 0 H GLU A 80 17.480 4.800 5.471 1.00 0.00 H new ATOM 0 HA GLU A 80 16.576 2.680 7.164 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.529 5.724 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.074 4.653 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.322 3.547 8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.778 4.604 7.283 1.00 0.00 H new ATOM 1242 N VAL A 81 14.060 2.834 7.338 1.00 0.00 N ATOM 1243 CA VAL A 81 12.575 2.798 7.232 1.00 0.00 C ATOM 1244 C VAL A 81 11.985 3.723 8.294 1.00 0.00 C ATOM 1245 O VAL A 81 12.512 3.851 9.382 1.00 0.00 O ATOM 1246 CB VAL A 81 12.090 1.363 7.469 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.299 0.534 6.200 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.893 0.742 8.616 1.00 0.00 C ATOM 0 H VAL A 81 14.463 2.155 7.984 1.00 0.00 H new ATOM 0 HA VAL A 81 12.259 3.127 6.242 1.00 0.00 H new ATOM 0 HB VAL A 81 11.030 1.375 7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.954 -0.486 6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.734 0.976 5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.359 0.520 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.552 -0.279 8.788 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.951 0.732 8.355 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.748 1.331 9.522 1.00 0.00 H new ATOM 1258 N ASN A 82 10.904 4.382 7.989 1.00 0.00 N ATOM 1259 CA ASN A 82 10.296 5.304 8.984 1.00 0.00 C ATOM 1260 C ASN A 82 9.600 4.489 10.075 1.00 0.00 C ATOM 1261 O ASN A 82 8.481 4.040 9.917 1.00 0.00 O ATOM 1262 CB ASN A 82 9.288 6.214 8.279 1.00 0.00 C ATOM 1263 CG ASN A 82 8.456 5.387 7.296 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.445 4.174 7.361 1.00 0.00 O ATOM 1265 ND2 ASN A 82 7.757 5.997 6.377 1.00 0.00 N ATOM 0 H ASN A 82 10.416 4.322 7.095 1.00 0.00 H new ATOM 0 HA ASN A 82 11.071 5.918 9.442 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.637 6.691 9.012 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.810 7.011 7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.202 5.455 5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.766 7.015 6.322 1.00 0.00 H new ATOM 1272 N LEU A 83 10.264 4.296 11.185 1.00 0.00 N ATOM 1273 CA LEU A 83 9.668 3.511 12.309 1.00 0.00 C ATOM 1274 C LEU A 83 10.065 4.159 13.634 1.00 0.00 C ATOM 1275 O LEU A 83 11.017 4.910 13.710 1.00 0.00 O ATOM 1276 CB LEU A 83 10.202 2.076 12.286 1.00 0.01 C ATOM 1277 CG LEU A 83 9.644 1.316 11.076 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.329 -0.053 10.995 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.117 1.130 11.216 1.00 0.00 C ATOM 0 H LEU A 83 11.203 4.652 11.363 1.00 0.00 H new ATOM 0 HA LEU A 83 8.583 3.498 12.201 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.291 2.087 12.245 1.00 0.01 H new ATOM 0 HB3 LEU A 83 9.923 1.563 13.206 1.00 0.01 H new ATOM 0 HG LEU A 83 9.840 1.885 10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.941 -0.604 10.138 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.404 0.084 10.881 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.130 -0.614 11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.735 0.589 10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.901 0.563 12.122 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.635 2.106 11.275 1.00 0.00 H new ATOM 1291 N ASP A 84 9.349 3.867 14.681 1.00 0.01 N ATOM 1292 CA ASP A 84 9.690 4.458 16.001 1.00 0.00 C ATOM 1293 C ASP A 84 10.988 3.830 16.507 1.00 0.00 C ATOM 1294 O ASP A 84 11.395 2.775 16.063 1.00 0.00 O ATOM 1295 CB ASP A 84 8.562 4.176 16.993 1.00 0.00 C ATOM 1296 CG ASP A 84 8.200 2.692 16.937 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.770 2.248 15.886 1.00 0.01 O ATOM 1298 OD2 ASP A 84 8.360 2.024 17.945 1.00 0.00 O ATOM 0 H ASP A 84 8.542 3.244 14.679 1.00 0.01 H new ATOM 0 HA ASP A 84 9.818 5.536 15.901 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.872 4.449 18.002 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.690 4.784 16.753 1.00 0.00 H new ATOM 1303 N SER A 85 11.647 4.474 17.427 1.00 0.00 N ATOM 1304 CA SER A 85 12.923 3.920 17.953 1.00 0.01 C ATOM 1305 C SER A 85 12.633 2.667 18.778 1.00 0.01 C ATOM 1306 O SER A 85 13.510 1.874 19.044 1.00 0.00 O ATOM 1307 CB SER A 85 13.610 4.963 18.835 1.00 0.01 C ATOM 1308 OG SER A 85 12.870 5.118 20.039 1.00 0.00 O ATOM 0 H SER A 85 11.357 5.361 17.838 1.00 0.00 H new ATOM 0 HA SER A 85 13.577 3.664 17.119 1.00 0.01 H new ATOM 0 HB2 SER A 85 14.630 4.652 19.059 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.675 5.915 18.309 1.00 0.01 H new ATOM 0 HG SER A 85 13.308 5.785 20.609 1.00 0.00 H new ATOM 1314 N CYS A 86 11.411 2.479 19.193 1.00 0.01 N ATOM 1315 CA CYS A 86 11.082 1.274 20.004 1.00 0.01 C ATOM 1316 C CYS A 86 10.891 0.070 19.080 1.00 0.00 C ATOM 1317 O CYS A 86 11.400 -1.004 19.335 1.00 0.01 O ATOM 1318 CB CYS A 86 9.797 1.523 20.799 1.00 0.01 C ATOM 1319 SG CYS A 86 9.671 0.308 22.133 1.00 0.01 S ATOM 0 H CYS A 86 10.628 3.106 19.006 1.00 0.01 H new ATOM 0 HA CYS A 86 11.899 1.071 20.696 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.801 2.532 21.211 1.00 0.01 H new ATOM 0 HB3 CYS A 86 8.930 1.450 20.142 1.00 0.01 H new ATOM 0 HG CYS A 86 8.582 0.519 22.811 1.00 0.01 H new ATOM 1325 N THR A 87 10.166 0.233 18.010 1.00 0.00 N ATOM 1326 CA THR A 87 9.961 -0.912 17.081 1.00 0.00 C ATOM 1327 C THR A 87 11.310 -1.385 16.548 1.00 0.00 C ATOM 1328 O THR A 87 11.590 -2.566 16.493 1.00 0.01 O ATOM 1329 CB THR A 87 9.079 -0.483 15.910 1.00 0.00 C ATOM 1330 OG1 THR A 87 7.823 -0.050 16.405 1.00 0.00 O ATOM 1331 CG2 THR A 87 8.873 -1.666 14.963 1.00 0.00 C ATOM 0 H THR A 87 9.709 1.104 17.739 1.00 0.00 H new ATOM 0 HA THR A 87 9.473 -1.724 17.621 1.00 0.00 H new ATOM 0 HB THR A 87 9.561 0.332 15.370 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.520 0.728 15.892 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.243 -1.358 14.128 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.839 -2.002 14.585 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.390 -2.482 15.500 1.00 0.00 H new ATOM 1339 N ARG A 88 12.154 -0.473 16.147 1.00 0.01 N ATOM 1340 CA ARG A 88 13.481 -0.885 15.617 1.00 0.00 C ATOM 1341 C ARG A 88 14.231 -1.646 16.715 1.00 0.00 C ATOM 1342 O ARG A 88 14.713 -2.744 16.510 1.00 0.01 O ATOM 1343 CB ARG A 88 14.270 0.361 15.210 1.00 0.00 C ATOM 1344 CG ARG A 88 13.524 1.084 14.085 1.00 0.00 C ATOM 1345 CD ARG A 88 14.312 2.326 13.666 1.00 0.00 C ATOM 1346 NE ARG A 88 15.588 1.899 13.028 1.00 0.01 N ATOM 1347 CZ ARG A 88 16.298 2.753 12.346 1.00 0.00 C ATOM 1348 NH1 ARG A 88 15.896 3.988 12.227 1.00 0.00 N ATOM 1349 NH2 ARG A 88 17.412 2.372 11.784 1.00 0.01 N ATOM 0 H ARG A 88 11.982 0.532 16.164 1.00 0.01 H new ATOM 0 HA ARG A 88 13.359 -1.528 14.745 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.393 1.024 16.066 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.270 0.081 14.878 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.395 0.417 13.232 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.527 1.369 14.420 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.726 2.927 12.970 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.517 2.953 14.534 1.00 0.00 H new ATOM 0 HE ARG A 88 15.907 0.935 13.125 1.00 0.01 H new ATOM 0 HH11 ARG A 88 15.026 4.286 12.668 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.452 4.656 11.693 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.727 1.406 11.879 1.00 0.01 H new ATOM 0 HH22 ARG A 88 17.968 3.040 11.250 1.00 0.01 H new ATOM 1363 N GLU A 89 14.301 -1.082 17.891 1.00 0.01 N ATOM 1364 CA GLU A 89 14.980 -1.785 19.016 1.00 0.01 C ATOM 1365 C GLU A 89 14.262 -3.106 19.268 1.00 0.01 C ATOM 1366 O GLU A 89 14.872 -4.122 19.534 1.00 0.00 O ATOM 1367 CB GLU A 89 14.934 -0.920 20.279 1.00 0.01 C ATOM 1368 CG GLU A 89 15.883 0.269 20.123 1.00 0.01 C ATOM 1369 CD GLU A 89 15.822 1.135 21.383 1.00 0.01 C ATOM 1370 OE1 GLU A 89 14.946 0.899 22.198 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.649 2.022 21.508 1.00 0.01 O ATOM 0 H GLU A 89 13.917 -0.165 18.120 1.00 0.01 H new ATOM 0 HA GLU A 89 16.023 -1.970 18.760 1.00 0.01 H new ATOM 0 HB2 GLU A 89 13.918 -0.566 20.453 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.218 -1.513 21.148 1.00 0.01 H new ATOM 0 HG2 GLU A 89 16.901 -0.083 19.959 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.605 0.858 19.249 1.00 0.01 H new ATOM 1378 N GLU A 90 12.962 -3.093 19.193 1.00 0.00 N ATOM 1379 CA GLU A 90 12.184 -4.338 19.434 1.00 0.01 C ATOM 1380 C GLU A 90 12.621 -5.404 18.430 1.00 0.01 C ATOM 1381 O GLU A 90 12.747 -6.566 18.766 1.00 0.01 O ATOM 1382 CB GLU A 90 10.688 -4.048 19.256 1.00 0.01 C ATOM 1383 CG GLU A 90 9.863 -5.316 19.519 1.00 0.00 C ATOM 1384 CD GLU A 90 10.075 -5.785 20.960 1.00 0.01 C ATOM 1385 OE1 GLU A 90 10.461 -4.968 21.779 1.00 0.01 O ATOM 1386 OE2 GLU A 90 9.846 -6.955 21.221 1.00 0.00 O ATOM 0 H GLU A 90 12.402 -2.269 18.974 1.00 0.00 H new ATOM 0 HA GLU A 90 12.364 -4.694 20.448 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.380 -3.258 19.940 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.499 -3.686 18.245 1.00 0.01 H new ATOM 0 HG2 GLU A 90 8.806 -5.115 19.344 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.157 -6.103 18.824 1.00 0.00 H new ATOM 1393 N THR A 91 12.856 -5.031 17.202 1.00 0.01 N ATOM 1394 CA THR A 91 13.279 -6.049 16.207 1.00 0.01 C ATOM 1395 C THR A 91 14.583 -6.675 16.691 1.00 0.01 C ATOM 1396 O THR A 91 14.765 -7.873 16.633 1.00 0.01 O ATOM 1397 CB THR A 91 13.511 -5.386 14.845 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.419 -4.525 14.546 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.615 -6.461 13.765 1.00 0.01 C ATOM 0 H THR A 91 12.774 -4.077 16.850 1.00 0.01 H new ATOM 0 HA THR A 91 12.505 -6.809 16.101 1.00 0.01 H new ATOM 0 HB THR A 91 14.435 -4.809 14.876 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.567 -4.099 13.676 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.780 -5.989 12.796 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.449 -7.125 13.992 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.690 -7.037 13.735 1.00 0.01 H new ATOM 1407 N SER A 92 15.488 -5.875 17.186 1.00 0.01 N ATOM 1408 CA SER A 92 16.770 -6.437 17.689 1.00 0.01 C ATOM 1409 C SER A 92 16.476 -7.420 18.824 1.00 0.01 C ATOM 1410 O SER A 92 17.085 -8.467 18.920 1.00 0.00 O ATOM 1411 CB SER A 92 17.671 -5.310 18.198 1.00 0.01 C ATOM 1412 OG SER A 92 17.126 -4.773 19.394 1.00 0.01 O ATOM 0 H SER A 92 15.395 -4.862 17.263 1.00 0.01 H new ATOM 0 HA SER A 92 17.282 -6.956 16.879 1.00 0.01 H new ATOM 0 HB2 SER A 92 18.677 -5.688 18.382 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.757 -4.529 17.442 1.00 0.01 H new ATOM 0 HG SER A 92 16.298 -4.290 19.188 1.00 0.01 H new ATOM 1418 N ARG A 93 15.541 -7.102 19.682 1.00 0.01 N ATOM 1419 CA ARG A 93 15.216 -8.038 20.797 1.00 0.01 C ATOM 1420 C ARG A 93 14.657 -9.332 20.207 1.00 0.01 C ATOM 1421 O ARG A 93 15.001 -10.422 20.624 1.00 0.01 O ATOM 1422 CB ARG A 93 14.157 -7.409 21.704 1.00 0.00 C ATOM 1423 CG ARG A 93 14.723 -6.155 22.377 1.00 0.01 C ATOM 1424 CD ARG A 93 13.655 -5.529 23.286 1.00 0.01 C ATOM 1425 NE ARG A 93 13.902 -4.057 23.426 1.00 0.00 N ATOM 1426 CZ ARG A 93 15.078 -3.589 23.757 1.00 0.01 C ATOM 1427 NH1 ARG A 93 16.026 -4.391 24.157 1.00 0.00 N ATOM 1428 NH2 ARG A 93 15.289 -2.301 23.740 1.00 0.01 N ATOM 0 H ARG A 93 14.993 -6.242 19.659 1.00 0.01 H new ATOM 0 HA ARG A 93 16.116 -8.244 21.376 1.00 0.01 H new ATOM 0 HB2 ARG A 93 13.273 -7.151 21.121 1.00 0.00 H new ATOM 0 HB3 ARG A 93 13.841 -8.127 22.461 1.00 0.00 H new ATOM 0 HG2 ARG A 93 15.607 -6.411 22.961 1.00 0.01 H new ATOM 0 HG3 ARG A 93 15.038 -5.436 21.621 1.00 0.01 H new ATOM 0 HD2 ARG A 93 12.663 -5.702 22.868 1.00 0.01 H new ATOM 0 HD3 ARG A 93 13.675 -6.005 24.266 1.00 0.01 H new ATOM 0 HE ARG A 93 13.135 -3.405 23.259 1.00 0.00 H new ATOM 0 HH11 ARG A 93 15.854 -5.395 24.214 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.939 -4.014 24.412 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.539 -1.665 23.470 1.00 0.01 H new ATOM 0 HH22 ARG A 93 16.204 -1.931 23.997 1.00 0.01 H new ATOM 1442 N ASN A 94 13.802 -9.213 19.231 1.00 0.01 N ATOM 1443 CA ASN A 94 13.210 -10.421 18.591 1.00 0.01 C ATOM 1444 C ASN A 94 14.311 -11.198 17.870 1.00 0.01 C ATOM 1445 O ASN A 94 14.301 -12.413 17.827 1.00 0.01 O ATOM 1446 CB ASN A 94 12.137 -10.000 17.589 1.00 0.01 C ATOM 1447 CG ASN A 94 10.917 -9.443 18.332 1.00 0.01 C ATOM 1448 OD1 ASN A 94 10.057 -8.831 17.731 1.00 0.00 O ATOM 1449 ND2 ASN A 94 10.801 -9.627 19.620 1.00 0.01 N ATOM 0 H ASN A 94 13.485 -8.323 18.846 1.00 0.01 H new ATOM 0 HA ASN A 94 12.756 -11.053 19.354 1.00 0.01 H new ATOM 0 HB2 ASN A 94 12.536 -9.245 16.911 1.00 0.01 H new ATOM 0 HB3 ASN A 94 11.843 -10.854 16.978 1.00 0.01 H new ATOM 0 HD21 ASN A 94 9.991 -9.257 20.117 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.521 -10.140 20.129 1.00 0.01 H new ATOM 1456 N MET A 95 15.260 -10.508 17.304 1.00 0.01 N ATOM 1457 CA MET A 95 16.361 -11.205 16.587 1.00 0.01 C ATOM 1458 C MET A 95 17.051 -12.165 17.557 1.00 0.01 C ATOM 1459 O MET A 95 17.510 -13.222 17.178 1.00 0.01 O ATOM 1460 CB MET A 95 17.361 -10.172 16.059 1.00 0.01 C ATOM 1461 CG MET A 95 16.773 -9.484 14.822 1.00 0.01 C ATOM 1462 SD MET A 95 17.711 -7.980 14.452 1.00 0.01 S ATOM 1463 CE MET A 95 19.266 -8.782 14.005 1.00 0.01 C ATOM 0 H MET A 95 15.320 -9.490 17.307 1.00 0.01 H new ATOM 0 HA MET A 95 15.963 -11.769 15.743 1.00 0.01 H new ATOM 0 HB2 MET A 95 17.580 -9.434 16.830 1.00 0.01 H new ATOM 0 HB3 MET A 95 18.303 -10.658 15.806 1.00 0.01 H new ATOM 0 HG2 MET A 95 16.804 -10.162 13.969 1.00 0.01 H new ATOM 0 HG3 MET A 95 15.726 -9.237 14.995 1.00 0.01 H new ATOM 0 HE1 MET A 95 19.792 -8.172 13.270 1.00 0.01 H new ATOM 0 HE2 MET A 95 19.886 -8.894 14.894 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.060 -9.764 13.580 1.00 0.01 H new ATOM 1473 N LEU A 96 17.106 -11.816 18.815 1.00 0.01 N ATOM 1474 CA LEU A 96 17.742 -12.728 19.807 1.00 0.01 C ATOM 1475 C LEU A 96 16.905 -14.006 19.868 1.00 0.01 C ATOM 1476 O LEU A 96 17.362 -15.053 20.282 1.00 0.01 O ATOM 1477 CB LEU A 96 17.754 -12.064 21.186 1.00 0.01 C ATOM 1478 CG LEU A 96 18.534 -10.745 21.130 1.00 0.01 C ATOM 1479 CD1 LEU A 96 18.529 -10.101 22.521 1.00 0.01 C ATOM 1480 CD2 LEU A 96 19.984 -11.002 20.680 1.00 0.01 C ATOM 0 H LEU A 96 16.740 -10.944 19.196 1.00 0.01 H new ATOM 0 HA LEU A 96 18.768 -12.951 19.515 1.00 0.01 H new ATOM 0 HB2 LEU A 96 16.732 -11.877 21.517 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.209 -12.733 21.916 1.00 0.01 H new ATOM 0 HG LEU A 96 18.060 -10.076 20.412 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.082 -9.162 22.489 1.00 0.01 H new ATOM 0 HD12 LEU A 96 17.501 -9.907 22.828 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.000 -10.776 23.236 1.00 0.01 H new ATOM 0 HD21 LEU A 96 20.527 -10.057 20.644 1.00 0.01 H new ATOM 0 HD22 LEU A 96 20.471 -11.674 21.387 1.00 0.01 H new ATOM 0 HD23 LEU A 96 19.982 -11.457 19.690 1.00 0.01 H new ATOM 1492 N GLU A 97 15.674 -13.912 19.437 1.00 0.01 N ATOM 1493 CA GLU A 97 14.758 -15.091 19.433 1.00 0.01 C ATOM 1494 C GLU A 97 13.973 -15.065 18.113 1.00 0.01 C ATOM 1495 O GLU A 97 12.848 -14.611 18.072 1.00 0.01 O ATOM 1496 CB GLU A 97 13.770 -14.975 20.598 1.00 0.01 C ATOM 1497 CG GLU A 97 14.534 -14.934 21.923 1.00 0.01 C ATOM 1498 CD GLU A 97 13.538 -15.015 23.083 1.00 0.01 C ATOM 1499 OE1 GLU A 97 13.210 -16.122 23.478 1.00 0.01 O ATOM 1500 OE2 GLU A 97 13.123 -13.971 23.554 1.00 0.01 O ATOM 0 H GLU A 97 15.258 -13.052 19.081 1.00 0.01 H new ATOM 0 HA GLU A 97 15.326 -16.016 19.534 1.00 0.01 H new ATOM 0 HB2 GLU A 97 13.167 -14.074 20.487 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.083 -15.821 20.590 1.00 0.01 H new ATOM 0 HG2 GLU A 97 15.239 -15.763 21.975 1.00 0.01 H new ATOM 0 HG3 GLU A 97 15.117 -14.015 21.992 1.00 0.01 H new ATOM 1507 N PRO A 98 14.565 -15.518 17.027 1.00 0.01 N ATOM 1508 CA PRO A 98 13.874 -15.487 15.708 1.00 0.01 C ATOM 1509 C PRO A 98 12.512 -16.189 15.742 1.00 0.01 C ATOM 1510 O PRO A 98 12.424 -17.400 15.799 1.00 0.01 O ATOM 1511 CB PRO A 98 14.877 -16.205 14.785 1.00 0.00 C ATOM 1512 CG PRO A 98 16.215 -16.320 15.538 1.00 0.01 C ATOM 1513 CD PRO A 98 15.941 -16.094 17.036 1.00 0.01 C ATOM 0 HA PRO A 98 13.632 -14.477 15.378 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.506 -17.193 14.514 1.00 0.00 H new ATOM 0 HB3 PRO A 98 15.008 -15.648 13.857 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.660 -17.302 15.376 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.926 -15.583 15.166 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.988 -17.024 17.602 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.664 -15.412 17.483 1.00 0.01 H new ATOM 1521 N THR A 99 11.453 -15.422 15.705 1.00 0.01 N ATOM 1522 CA THR A 99 10.077 -16.004 15.732 1.00 0.01 C ATOM 1523 C THR A 99 9.259 -15.395 14.593 1.00 0.01 C ATOM 1524 O THR A 99 9.675 -14.447 13.955 1.00 0.01 O ATOM 1525 CB THR A 99 9.414 -15.676 17.072 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.513 -14.281 17.320 1.00 0.01 O ATOM 1527 CG2 THR A 99 10.114 -16.446 18.195 1.00 0.00 C ATOM 0 H THR A 99 11.484 -14.404 15.657 1.00 0.01 H new ATOM 0 HA THR A 99 10.128 -17.086 15.611 1.00 0.01 H new ATOM 0 HB THR A 99 8.364 -15.966 17.036 1.00 0.00 H new ATOM 0 HG1 THR A 99 9.087 -14.070 18.177 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.640 -16.211 19.148 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.036 -17.517 18.006 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.165 -16.160 18.232 1.00 0.00 H new ATOM 1535 N ILE A 100 8.102 -15.933 14.326 1.00 0.00 N ATOM 1536 CA ILE A 100 7.263 -15.388 13.222 1.00 0.01 C ATOM 1537 C ILE A 100 6.681 -14.036 13.640 1.00 0.01 C ATOM 1538 O ILE A 100 6.282 -13.237 12.816 1.00 0.01 O ATOM 1539 CB ILE A 100 6.125 -16.372 12.919 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.429 -15.969 11.607 1.00 0.01 C ATOM 1541 CG2 ILE A 100 5.102 -16.356 14.066 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.367 -16.177 10.406 1.00 0.01 C ATOM 0 H ILE A 100 7.701 -16.727 14.825 1.00 0.00 H new ATOM 0 HA ILE A 100 7.874 -15.253 12.329 1.00 0.01 H new ATOM 0 HB ILE A 100 6.538 -17.376 12.819 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.523 -16.561 11.474 1.00 0.01 H new ATOM 0 HG13 ILE A 100 5.123 -14.924 11.658 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.297 -17.056 13.845 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.592 -16.648 14.995 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.691 -15.352 14.173 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.854 -15.886 9.489 1.00 0.01 H new ATOM 0 HD12 ILE A 100 7.261 -15.566 10.532 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.652 -17.227 10.344 1.00 0.01 H new ATOM 1554 N THR A 101 6.629 -13.773 14.918 1.00 0.00 N ATOM 1555 CA THR A 101 6.066 -12.475 15.395 1.00 0.01 C ATOM 1556 C THR A 101 7.197 -11.456 15.538 1.00 0.01 C ATOM 1557 O THR A 101 7.017 -10.380 16.074 1.00 0.01 O ATOM 1558 CB THR A 101 5.386 -12.684 16.751 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.330 -13.202 17.679 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.226 -13.667 16.595 1.00 0.01 C ATOM 0 H THR A 101 6.952 -14.401 15.654 1.00 0.00 H new ATOM 0 HA THR A 101 5.334 -12.106 14.677 1.00 0.01 H new ATOM 0 HB THR A 101 5.004 -11.731 17.117 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.896 -13.335 18.548 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.742 -13.815 17.561 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.503 -13.267 15.885 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.604 -14.621 16.228 1.00 0.01 H new ATOM 1568 N CYS A 102 8.363 -11.795 15.064 1.00 0.00 N ATOM 1569 CA CYS A 102 9.520 -10.862 15.166 1.00 0.00 C ATOM 1570 C CYS A 102 9.258 -9.584 14.361 1.00 0.01 C ATOM 1571 O CYS A 102 9.242 -8.494 14.898 1.00 0.01 O ATOM 1572 CB CYS A 102 10.771 -11.558 14.618 1.00 0.00 C ATOM 1573 SG CYS A 102 12.099 -10.349 14.392 1.00 0.01 S ATOM 0 H CYS A 102 8.566 -12.684 14.607 1.00 0.00 H new ATOM 0 HA CYS A 102 9.664 -10.591 16.212 1.00 0.00 H new ATOM 0 HB2 CYS A 102 11.093 -12.341 15.305 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.542 -12.042 13.668 1.00 0.00 H new ATOM 0 HG CYS A 102 12.207 -10.054 13.131 1.00 0.01 H new ATOM 1579 N PHE A 103 9.079 -9.706 13.071 1.00 0.00 N ATOM 1580 CA PHE A 103 8.852 -8.493 12.221 1.00 0.01 C ATOM 1581 C PHE A 103 7.356 -8.240 12.016 1.00 0.01 C ATOM 1582 O PHE A 103 6.970 -7.280 11.379 1.00 0.00 O ATOM 1583 CB PHE A 103 9.513 -8.713 10.859 1.00 0.00 C ATOM 1584 CG PHE A 103 11.015 -8.676 11.015 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.692 -9.794 11.516 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.730 -7.527 10.655 1.00 0.00 C ATOM 1587 CE1 PHE A 103 13.084 -9.764 11.658 1.00 0.01 C ATOM 1588 CE2 PHE A 103 13.122 -7.497 10.797 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.799 -8.615 11.299 1.00 0.00 C ATOM 0 H PHE A 103 9.080 -10.593 12.567 1.00 0.00 H new ATOM 0 HA PHE A 103 9.284 -7.627 12.723 1.00 0.01 H new ATOM 0 HB2 PHE A 103 9.204 -9.672 10.444 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.191 -7.943 10.158 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.140 -10.680 11.793 1.00 0.01 H new ATOM 0 HD2 PHE A 103 11.208 -6.665 10.268 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.606 -10.627 12.044 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.674 -6.611 10.519 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.873 -8.591 11.409 1.00 0.00 H new ATOM 1599 N ASP A 104 6.505 -9.076 12.542 1.00 0.01 N ATOM 1600 CA ASP A 104 5.045 -8.841 12.353 1.00 0.01 C ATOM 1601 C ASP A 104 4.682 -7.486 12.955 1.00 0.00 C ATOM 1602 O ASP A 104 3.899 -6.737 12.406 1.00 0.01 O ATOM 1603 CB ASP A 104 4.243 -9.935 13.054 1.00 0.01 C ATOM 1604 CG ASP A 104 4.437 -11.259 12.311 1.00 0.01 C ATOM 1605 OD1 ASP A 104 5.056 -11.239 11.262 1.00 0.00 O ATOM 1606 OD2 ASP A 104 3.974 -12.271 12.811 1.00 0.01 O ATOM 0 H ASP A 104 6.752 -9.902 13.088 1.00 0.01 H new ATOM 0 HA ASP A 104 4.810 -8.856 11.289 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.569 -10.034 14.089 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.186 -9.669 13.077 1.00 0.01 H new ATOM 1611 N GLU A 105 5.252 -7.167 14.085 1.00 0.00 N ATOM 1612 CA GLU A 105 4.953 -5.864 14.733 1.00 0.00 C ATOM 1613 C GLU A 105 5.415 -4.735 13.815 1.00 0.00 C ATOM 1614 O GLU A 105 4.762 -3.719 13.685 1.00 0.01 O ATOM 1615 CB GLU A 105 5.687 -5.778 16.074 1.00 0.00 C ATOM 1616 CG GLU A 105 5.359 -4.450 16.759 1.00 0.00 C ATOM 1617 CD GLU A 105 6.048 -4.397 18.124 1.00 0.01 C ATOM 1618 OE1 GLU A 105 6.564 -5.421 18.544 1.00 0.00 O ATOM 1619 OE2 GLU A 105 6.044 -3.337 18.727 1.00 0.01 O ATOM 0 H GLU A 105 5.915 -7.758 14.587 1.00 0.00 H new ATOM 0 HA GLU A 105 3.881 -5.775 14.909 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.393 -6.610 16.714 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.762 -5.861 15.917 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.691 -3.617 16.139 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.281 -4.347 16.880 1.00 0.00 H new ATOM 1626 N ALA A 106 6.542 -4.898 13.177 1.00 0.00 N ATOM 1627 CA ALA A 106 7.036 -3.824 12.275 1.00 0.00 C ATOM 1628 C ALA A 106 6.105 -3.718 11.068 1.00 0.00 C ATOM 1629 O ALA A 106 5.767 -2.636 10.633 1.00 0.00 O ATOM 1630 CB ALA A 106 8.454 -4.159 11.805 1.00 0.00 C ATOM 0 H ALA A 106 7.137 -5.724 13.242 1.00 0.00 H new ATOM 0 HA ALA A 106 7.053 -2.874 12.809 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.814 -3.371 11.144 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.114 -4.238 12.669 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.445 -5.107 11.267 1.00 0.00 H new ATOM 1636 N GLN A 107 5.670 -4.824 10.532 1.00 0.00 N ATOM 1637 CA GLN A 107 4.746 -4.763 9.365 1.00 0.00 C ATOM 1638 C GLN A 107 3.484 -4.011 9.779 1.00 0.00 C ATOM 1639 O GLN A 107 2.981 -3.168 9.064 1.00 0.00 O ATOM 1640 CB GLN A 107 4.373 -6.183 8.933 1.00 0.00 C ATOM 1641 CG GLN A 107 3.430 -6.130 7.730 1.00 0.00 C ATOM 1642 CD GLN A 107 3.113 -7.553 7.275 1.00 0.00 C ATOM 1643 OE1 GLN A 107 2.749 -8.391 8.075 1.00 0.00 O ATOM 1644 NE2 GLN A 107 3.237 -7.865 6.015 1.00 0.00 N ATOM 0 H GLN A 107 5.912 -5.763 10.849 1.00 0.00 H new ATOM 0 HA GLN A 107 5.231 -4.251 8.534 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.273 -6.743 8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.894 -6.710 9.759 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.511 -5.608 7.996 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.891 -5.570 6.916 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.543 -7.161 5.343 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.028 -8.813 5.701 1.00 0.00 H new ATOM 1653 N LYS A 108 2.974 -4.316 10.938 1.00 0.00 N ATOM 1654 CA LYS A 108 1.746 -3.634 11.422 1.00 0.00 C ATOM 1655 C LYS A 108 2.014 -2.133 11.520 1.00 0.00 C ATOM 1656 O LYS A 108 1.181 -1.320 11.171 1.00 0.00 O ATOM 1657 CB LYS A 108 1.379 -4.193 12.800 1.00 0.00 C ATOM 1658 CG LYS A 108 0.101 -3.527 13.313 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.248 -4.099 14.688 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.524 -3.439 15.207 1.00 0.00 C ATOM 1661 NZ LYS A 108 -1.876 -4.021 16.533 1.00 0.00 N ATOM 0 H LYS A 108 3.359 -5.014 11.575 1.00 0.00 H new ATOM 0 HA LYS A 108 0.921 -3.806 10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.236 -5.272 12.737 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.196 -4.020 13.501 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.241 -2.448 13.380 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.719 -3.700 12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.386 -5.178 14.620 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.573 -3.926 15.384 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.380 -2.362 15.296 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.340 -3.594 14.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.745 -3.573 16.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.030 -5.045 16.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.099 -3.852 17.204 1.00 0.00 H new ATOM 1675 N LYS A 109 3.176 -1.758 11.981 1.00 0.01 N ATOM 1676 CA LYS A 109 3.498 -0.310 12.085 1.00 0.00 C ATOM 1677 C LYS A 109 3.499 0.290 10.680 1.00 0.00 C ATOM 1678 O LYS A 109 3.014 1.383 10.466 1.00 0.00 O ATOM 1679 CB LYS A 109 4.869 -0.124 12.748 1.00 0.00 C ATOM 1680 CG LYS A 109 4.798 -0.527 14.232 1.00 0.00 C ATOM 1681 CD LYS A 109 4.003 0.515 15.044 1.00 0.01 C ATOM 1682 CE LYS A 109 4.333 0.373 16.532 1.00 0.00 C ATOM 1683 NZ LYS A 109 5.687 0.930 16.799 1.00 0.01 N ATOM 0 H LYS A 109 3.914 -2.392 12.289 1.00 0.01 H new ATOM 0 HA LYS A 109 2.752 0.196 12.698 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.615 -0.730 12.234 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.186 0.915 12.660 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.326 -1.505 14.326 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.806 -0.619 14.637 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.248 1.520 14.702 1.00 0.01 H new ATOM 0 HD3 LYS A 109 2.934 0.376 14.884 1.00 0.01 H new ATOM 0 HE2 LYS A 109 3.589 0.897 17.131 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.296 -0.676 16.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.714 1.334 17.757 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 6.395 0.172 16.723 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 5.900 1.674 16.104 1.00 0.01 H new ATOM 1697 N ILE A 110 4.019 -0.420 9.712 1.00 0.00 N ATOM 1698 CA ILE A 110 4.013 0.123 8.325 1.00 0.00 C ATOM 1699 C ILE A 110 2.558 0.261 7.885 1.00 0.00 C ATOM 1700 O ILE A 110 2.163 1.266 7.331 1.00 0.00 O ATOM 1701 CB ILE A 110 4.746 -0.833 7.375 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.231 -0.953 7.767 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.633 -0.316 5.942 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.916 0.423 7.788 1.00 0.00 C ATOM 0 H ILE A 110 4.442 -1.341 9.821 1.00 0.00 H new ATOM 0 HA ILE A 110 4.520 1.088 8.300 1.00 0.00 H new ATOM 0 HB ILE A 110 4.286 -1.819 7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.314 -1.418 8.749 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.744 -1.606 7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.154 -0.996 5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.582 -0.258 5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.082 0.675 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.963 0.304 8.068 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.854 0.875 6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.417 1.067 8.513 1.00 0.00 H new ATOM 1716 N PHE A 111 1.750 -0.727 8.158 1.00 0.00 N ATOM 1717 CA PHE A 111 0.313 -0.631 7.787 1.00 0.00 C ATOM 1718 C PHE A 111 -0.277 0.579 8.511 1.00 0.00 C ATOM 1719 O PHE A 111 -0.952 1.405 7.931 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.414 -1.927 8.224 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.652 -2.817 7.026 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.381 -3.041 6.113 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.910 -3.394 6.817 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.157 -3.842 4.988 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.134 -4.199 5.698 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.104 -4.422 4.781 1.00 0.00 C ATOM 0 H PHE A 111 2.024 -1.594 8.621 1.00 0.00 H new ATOM 0 HA PHE A 111 0.194 -0.514 6.710 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.183 -2.456 8.967 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.364 -1.679 8.697 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.352 -2.596 6.275 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.709 -3.216 7.522 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.954 -4.014 4.280 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.103 -4.649 5.542 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.278 -5.041 3.913 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.023 0.682 9.779 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.555 1.831 10.549 1.00 0.00 C ATOM 1738 C ASN A 112 0.100 3.126 10.058 1.00 0.00 C ATOM 1739 O ASN A 112 -0.558 4.111 9.806 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.237 1.628 12.030 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.000 0.411 12.557 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -0.688 -0.106 13.611 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -1.990 -0.080 11.859 1.00 0.00 N ATOM 0 H ASN A 112 0.532 0.017 10.318 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.634 1.899 10.409 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.835 1.484 12.166 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.514 2.517 12.597 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.499 -0.896 12.200 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.254 0.353 10.974 1.00 0.00 H new ATOM 1750 N LEU A 113 1.398 3.137 9.938 1.00 0.00 N ATOM 1751 CA LEU A 113 2.097 4.375 9.491 1.00 0.00 C ATOM 1752 C LEU A 113 1.629 4.809 8.096 1.00 0.00 C ATOM 1753 O LEU A 113 1.260 5.947 7.892 1.00 0.00 O ATOM 1754 CB LEU A 113 3.608 4.112 9.470 1.00 0.00 C ATOM 1755 CG LEU A 113 4.368 5.354 8.981 1.00 0.00 C ATOM 1756 CD1 LEU A 113 4.078 6.552 9.899 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.867 5.050 9.001 1.00 0.00 C ATOM 0 H LEU A 113 2.006 2.341 10.130 1.00 0.00 H new ATOM 0 HA LEU A 113 1.861 5.179 10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.949 3.841 10.469 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.826 3.266 8.818 1.00 0.00 H new ATOM 0 HG LEU A 113 4.045 5.602 7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.623 7.425 9.541 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.009 6.764 9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.396 6.317 10.915 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.420 5.924 8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.175 4.804 10.017 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.076 4.206 8.344 1.00 0.00 H new ATOM 1769 N MET A 114 1.653 3.932 7.130 1.00 0.00 N ATOM 1770 CA MET A 114 1.223 4.341 5.761 1.00 0.00 C ATOM 1771 C MET A 114 -0.269 4.689 5.761 1.00 0.00 C ATOM 1772 O MET A 114 -0.700 5.631 5.129 1.00 0.00 O ATOM 1773 CB MET A 114 1.495 3.195 4.771 1.00 0.00 C ATOM 1774 CG MET A 114 0.532 2.029 5.024 1.00 0.00 C ATOM 1775 SD MET A 114 1.296 0.477 4.477 1.00 0.00 S ATOM 1776 CE MET A 114 1.329 0.822 2.702 1.00 0.00 C ATOM 0 H MET A 114 1.948 2.960 7.226 1.00 0.00 H new ATOM 0 HA MET A 114 1.789 5.221 5.456 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.380 3.555 3.748 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.525 2.853 4.875 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.286 1.971 6.084 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.403 2.194 4.489 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.479 -0.108 2.153 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.383 1.273 2.401 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.145 1.510 2.480 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.062 3.930 6.461 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.528 4.201 6.490 1.00 0.00 C ATOM 1788 C GLU A 115 -2.832 5.522 7.214 1.00 0.00 C ATOM 1789 O GLU A 115 -3.695 6.275 6.823 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.235 3.047 7.202 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.751 3.247 7.132 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.449 2.079 7.832 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.772 1.118 8.157 1.00 0.01 O ATOM 1794 OE2 GLU A 115 -6.650 2.167 8.029 1.00 0.00 O ATOM 0 H GLU A 115 -0.759 3.130 7.017 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.889 4.287 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.962 2.099 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.913 2.997 8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.027 4.188 7.607 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.074 3.308 6.093 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.155 5.808 8.280 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.452 7.072 9.007 1.00 0.00 C ATOM 1803 C LYS A 116 -2.001 8.296 8.205 1.00 0.01 C ATOM 1804 O LYS A 116 -2.576 9.360 8.336 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.752 7.056 10.364 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.432 6.029 11.272 1.00 0.00 C ATOM 1807 CD LYS A 116 -1.736 6.007 12.632 1.00 0.00 C ATOM 1808 CE LYS A 116 -2.418 4.980 13.534 1.00 0.00 C ATOM 1809 NZ LYS A 116 -1.622 4.809 14.783 1.00 0.00 N ATOM 0 H LYS A 116 -1.415 5.231 8.681 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.531 7.141 9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.698 6.807 10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.794 8.045 10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.486 6.279 11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.390 5.040 10.815 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.682 5.757 12.510 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.778 6.995 13.090 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.429 5.308 13.776 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.508 4.026 13.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.086 4.110 15.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.666 4.478 14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -1.558 5.720 15.281 1.00 0.00 H new ATOM 1823 N ASP A 117 -0.968 8.176 7.401 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.471 9.366 6.624 1.00 0.00 C ATOM 1825 C ASP A 117 -0.661 9.196 5.107 1.00 0.00 C ATOM 1826 O ASP A 117 -0.862 10.162 4.405 1.00 0.00 O ATOM 1827 CB ASP A 117 1.017 9.557 6.927 1.00 0.00 C ATOM 1828 CG ASP A 117 1.818 8.404 6.327 1.00 0.00 C ATOM 1829 OD1 ASP A 117 1.220 7.385 6.034 1.00 0.00 O ATOM 1830 OD2 ASP A 117 3.017 8.559 6.168 1.00 0.00 O ATOM 0 H ASP A 117 -0.448 7.312 7.248 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.052 10.236 6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.363 10.505 6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.176 9.600 8.005 1.00 0.00 H new ATOM 1835 N SER A 118 -0.572 8.007 4.574 1.00 0.00 N ATOM 1836 CA SER A 118 -0.727 7.862 3.088 1.00 0.00 C ATOM 1837 C SER A 118 -2.207 7.851 2.689 1.00 0.00 C ATOM 1838 O SER A 118 -2.608 8.521 1.761 1.00 0.01 O ATOM 1839 CB SER A 118 -0.079 6.557 2.615 1.00 0.00 C ATOM 1840 OG SER A 118 -0.972 5.476 2.841 1.00 0.00 O ATOM 0 H SER A 118 -0.402 7.142 5.087 1.00 0.00 H new ATOM 0 HA SER A 118 -0.236 8.714 2.618 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.167 6.624 1.555 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.856 6.388 3.149 1.00 0.00 H new ATOM 0 HG SER A 118 -1.199 5.433 3.793 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.011 7.077 3.368 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.465 6.984 3.007 1.00 0.00 C ATOM 1848 C TYR A 119 -5.124 8.369 3.001 1.00 0.01 C ATOM 1849 O TYR A 119 -5.882 8.699 2.111 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.176 6.072 4.036 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.667 4.796 3.387 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.800 4.026 2.603 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -6.990 4.390 3.573 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.261 2.849 2.005 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.450 3.213 2.977 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.585 2.443 2.192 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.039 1.287 1.596 1.00 0.00 O ATOM 0 H TYR A 119 -2.727 6.501 4.161 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.554 6.566 2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.489 5.830 4.847 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.017 6.605 4.479 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.777 4.340 2.460 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.658 4.986 4.178 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.594 2.254 1.399 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.473 2.898 3.122 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.009 1.345 1.467 1.00 0.00 H new ATOM 1867 N ARG A 120 -4.872 9.170 3.991 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.520 10.510 4.031 1.00 0.01 C ATOM 1869 C ARG A 120 -5.116 11.297 2.785 1.00 0.00 C ATOM 1870 O ARG A 120 -5.951 11.853 2.093 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.064 11.255 5.285 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.383 10.418 6.533 1.00 0.01 C ATOM 1873 CD ARG A 120 -6.899 10.365 6.772 1.00 0.00 C ATOM 1874 NE ARG A 120 -7.177 9.976 8.196 1.00 0.01 N ATOM 1875 CZ ARG A 120 -6.649 8.906 8.738 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -6.020 8.027 8.008 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -6.809 8.685 10.013 1.00 0.01 N ATOM 0 H ARG A 120 -4.250 8.960 4.772 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.604 10.399 4.055 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -3.993 11.453 5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.564 12.222 5.347 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -4.993 9.408 6.410 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -4.887 10.848 7.403 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -7.344 11.336 6.557 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.358 9.647 6.093 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.795 10.562 8.758 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -5.934 8.168 7.001 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.614 7.199 8.444 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.342 9.343 10.582 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -6.401 7.854 10.442 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.853 11.334 2.466 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.438 12.067 1.243 1.00 0.01 C ATOM 1893 C ARG A 121 -3.908 11.289 0.015 1.00 0.01 C ATOM 1894 O ARG A 121 -4.179 11.866 -1.011 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.910 12.244 1.193 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.467 13.433 2.074 1.00 0.00 C ATOM 1897 CD ARG A 121 -1.298 12.997 3.537 1.00 0.00 C ATOM 1898 NE ARG A 121 0.141 12.701 3.782 1.00 0.01 N ATOM 1899 CZ ARG A 121 0.591 12.580 4.998 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -0.235 12.628 6.008 1.00 0.00 N ATOM 1901 NH2 ARG A 121 1.867 12.399 5.203 1.00 0.01 N ATOM 0 H ARG A 121 -3.099 10.893 2.993 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.891 13.058 1.257 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.422 11.331 1.534 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.592 12.410 0.164 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -0.527 13.838 1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.205 14.232 2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.642 13.784 4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.906 12.115 3.742 1.00 0.00 H new ATOM 0 HE ARG A 121 0.778 12.592 2.993 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -1.233 12.760 5.845 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.118 12.533 6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 121 2.509 12.353 4.412 1.00 0.01 H new ATOM 0 HH22 ARG A 121 2.222 12.304 6.154 1.00 0.01 H new ATOM 1915 N PHE A 122 -3.998 9.990 0.096 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.442 9.221 -1.094 1.00 0.01 C ATOM 1917 C PHE A 122 -5.836 9.691 -1.494 1.00 0.01 C ATOM 1918 O PHE A 122 -6.089 9.981 -2.637 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.472 7.715 -0.763 1.00 0.00 C ATOM 1920 CG PHE A 122 -3.959 6.930 -1.938 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.584 6.831 -2.121 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -4.839 6.322 -2.837 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.075 6.118 -3.206 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.331 5.604 -3.928 1.00 0.00 C ATOM 1925 CZ PHE A 122 -2.947 5.503 -4.112 1.00 0.00 C ATOM 0 H PHE A 122 -3.786 9.436 0.925 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.748 9.385 -1.918 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -3.861 7.513 0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.489 7.406 -0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.911 7.306 -1.423 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -5.906 6.405 -2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.007 6.040 -3.347 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -5.006 5.130 -4.625 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.552 4.951 -4.952 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.736 9.780 -0.560 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.103 10.237 -0.910 1.00 0.00 C ATOM 1937 C LEU A 123 -7.992 11.642 -1.501 1.00 0.01 C ATOM 1938 O LEU A 123 -8.689 11.997 -2.432 1.00 0.00 O ATOM 1939 CB LEU A 123 -8.977 10.279 0.350 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.068 8.882 0.985 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.896 8.974 2.270 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.736 7.896 0.012 1.00 0.01 C ATOM 0 H LEU A 123 -6.585 9.558 0.424 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.557 9.554 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.559 10.985 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.975 10.636 0.096 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.064 8.523 1.212 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.967 7.988 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.415 9.663 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.896 9.337 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.794 6.911 0.475 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.741 8.244 -0.226 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.147 7.833 -0.903 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.112 12.446 -0.966 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.938 13.835 -1.486 1.00 0.01 C ATOM 1956 C LYS A 124 -5.871 13.870 -2.587 1.00 0.01 C ATOM 1957 O LYS A 124 -5.587 14.912 -3.145 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.481 14.736 -0.344 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.543 14.762 0.752 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.067 15.668 1.886 1.00 0.01 C ATOM 1961 CE LYS A 124 -8.121 15.705 2.989 1.00 0.01 C ATOM 1962 NZ LYS A 124 -8.267 14.343 3.575 1.00 0.01 N ATOM 0 H LYS A 124 -6.502 12.199 -0.186 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.888 14.177 -1.896 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.536 14.374 0.061 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.303 15.746 -0.714 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.489 15.126 0.351 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.723 13.754 1.126 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -6.121 15.301 2.285 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -6.885 16.674 1.509 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -7.831 16.417 3.762 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -9.075 16.044 2.585 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -8.690 14.416 4.522 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -8.881 13.767 2.965 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -7.332 13.894 3.647 1.00 0.01 H new ATOM 1976 N SER A 125 -5.260 12.760 -2.895 1.00 0.00 N ATOM 1977 CA SER A 125 -4.200 12.770 -3.944 1.00 0.01 C ATOM 1978 C SER A 125 -4.835 12.952 -5.320 1.00 0.01 C ATOM 1979 O SER A 125 -6.007 12.704 -5.515 1.00 0.01 O ATOM 1980 CB SER A 125 -3.417 11.457 -3.913 1.00 0.01 C ATOM 1981 OG SER A 125 -4.299 10.376 -4.180 1.00 0.01 O ATOM 0 H SER A 125 -5.446 11.852 -2.470 1.00 0.00 H new ATOM 0 HA SER A 125 -3.518 13.597 -3.747 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.617 11.480 -4.653 1.00 0.01 H new ATOM 0 HB3 SER A 125 -2.946 11.325 -2.939 1.00 0.01 H new ATOM 0 HG SER A 125 -5.142 10.516 -3.701 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.064 13.389 -6.273 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.611 13.595 -7.639 1.00 0.01 C ATOM 1989 C ARG A 126 -5.098 12.255 -8.193 1.00 0.00 C ATOM 1990 O ARG A 126 -6.100 12.187 -8.875 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.513 14.154 -8.550 1.00 0.01 C ATOM 1992 CG ARG A 126 -2.929 15.443 -7.953 1.00 0.01 C ATOM 1993 CD ARG A 126 -4.037 16.480 -7.737 1.00 0.01 C ATOM 1994 NE ARG A 126 -4.990 16.443 -8.882 1.00 0.00 N ATOM 1995 CZ ARG A 126 -6.159 17.014 -8.777 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -6.497 17.626 -7.673 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -6.993 16.977 -9.781 1.00 0.01 N ATOM 0 H ARG A 126 -3.075 13.613 -6.164 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.442 14.300 -7.599 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -2.723 13.413 -8.676 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -3.921 14.356 -9.540 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -2.438 15.223 -7.005 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.168 15.848 -8.620 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -4.564 16.274 -6.806 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -3.603 17.476 -7.644 1.00 0.01 H new ATOM 0 HE ARG A 126 -4.729 15.971 -9.748 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.846 17.659 -6.888 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -7.412 18.071 -7.596 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -6.730 16.503 -10.645 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -7.907 17.422 -9.701 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.396 11.191 -7.920 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.821 9.867 -8.455 1.00 0.01 C ATOM 2013 C PHE A 127 -6.232 9.527 -7.962 1.00 0.01 C ATOM 2014 O PHE A 127 -7.100 9.184 -8.739 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.840 8.795 -7.977 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.487 9.033 -8.610 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -2.257 8.633 -9.931 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.467 9.655 -7.878 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -1.006 8.854 -10.522 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.217 9.877 -8.470 1.00 0.00 C ATOM 2021 CZ PHE A 127 0.013 9.477 -9.791 1.00 0.00 C ATOM 0 H PHE A 127 -3.549 11.180 -7.352 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.828 9.904 -9.544 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.755 8.823 -6.891 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -4.209 7.804 -8.243 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -3.044 8.154 -10.495 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.644 9.963 -6.858 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.828 8.544 -11.541 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.569 10.357 -7.907 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.977 9.649 -10.247 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.476 9.628 -6.685 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.842 9.318 -6.168 1.00 0.01 C ATOM 2033 C TYR A 128 -8.820 10.380 -6.668 1.00 0.01 C ATOM 2034 O TYR A 128 -9.871 10.076 -7.195 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.817 9.321 -4.640 1.00 0.00 C ATOM 2036 CG TYR A 128 -9.135 8.825 -4.091 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -9.320 7.458 -3.845 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -10.161 9.734 -3.810 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -10.536 7.001 -3.318 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -11.377 9.276 -3.286 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.564 7.911 -3.039 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.761 7.461 -2.520 1.00 0.01 O ATOM 0 H TYR A 128 -5.795 9.910 -5.980 1.00 0.01 H new ATOM 0 HA TYR A 128 -8.158 8.337 -6.522 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -7.005 8.688 -4.282 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.620 10.329 -4.275 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -8.527 6.757 -4.061 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -10.016 10.788 -3.997 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -10.680 5.948 -3.127 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -12.171 9.977 -3.073 1.00 0.01 H new ATOM 0 HH TYR A 128 -13.365 8.221 -2.384 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.474 11.628 -6.505 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.374 12.720 -6.968 1.00 0.01 C ATOM 2054 C LEU A 129 -9.583 12.605 -8.477 1.00 0.01 C ATOM 2055 O LEU A 129 -10.681 12.759 -8.971 1.00 0.01 O ATOM 2056 CB LEU A 129 -8.741 14.074 -6.651 1.00 0.01 C ATOM 2057 CG LEU A 129 -8.647 14.266 -5.130 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -7.840 15.534 -4.841 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.058 14.391 -4.516 1.00 0.01 C ATOM 0 H LEU A 129 -7.605 11.938 -6.070 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.333 12.636 -6.458 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -7.748 14.133 -7.096 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.335 14.875 -7.091 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.154 13.402 -4.685 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -7.767 15.681 -3.763 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -6.840 15.433 -5.262 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.338 16.393 -5.291 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -9.975 14.527 -3.438 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -10.569 15.250 -4.951 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.627 13.485 -4.725 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.542 12.335 -9.215 1.00 0.56 N ATOM 2072 CA ASP A 130 -8.706 12.208 -10.687 1.00 0.91 C ATOM 2073 C ASP A 130 -9.693 11.082 -10.967 1.00 1.05 C ATOM 2074 O ASP A 130 -10.613 11.224 -11.747 1.00 1.91 O ATOM 2075 CB ASP A 130 -7.354 11.896 -11.338 1.00 2.23 C ATOM 2076 CG ASP A 130 -6.452 13.131 -11.267 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -6.981 14.218 -11.100 1.00 3.77 O ATOM 2078 OD2 ASP A 130 -5.249 12.968 -11.380 1.00 3.36 O ATOM 0 H ASP A 130 -7.594 12.198 -8.865 1.00 0.56 H new ATOM 0 HA ASP A 130 -9.082 13.143 -11.103 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -6.879 11.057 -10.829 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -7.499 11.599 -12.377 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.521 9.963 -10.316 1.00 1.16 N ATOM 2084 CA LEU A 131 -10.464 8.830 -10.522 1.00 1.68 C ATOM 2085 C LEU A 131 -11.807 9.191 -9.894 1.00 2.00 C ATOM 2086 O LEU A 131 -12.860 8.934 -10.445 1.00 2.21 O ATOM 2087 CB LEU A 131 -9.913 7.588 -9.826 1.00 2.07 C ATOM 2088 CG LEU A 131 -8.625 7.130 -10.512 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -7.973 6.033 -9.664 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -8.930 6.598 -11.928 1.00 3.54 C ATOM 0 H LEU A 131 -8.768 9.786 -9.651 1.00 1.16 H new ATOM 0 HA LEU A 131 -10.585 8.635 -11.588 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -9.717 7.806 -8.776 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -10.653 6.788 -9.853 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.943 7.975 -10.606 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -7.053 5.700 -10.145 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -7.743 6.427 -8.674 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -8.659 5.191 -9.569 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -8.003 6.276 -12.403 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -9.615 5.753 -11.859 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -9.387 7.389 -12.523 1.00 3.54 H new ATOM 2102 N THR A 132 -11.764 9.800 -8.737 1.00 2.68 N ATOM 2103 CA THR A 132 -13.007 10.211 -8.024 1.00 3.30 C ATOM 2104 C THR A 132 -13.083 11.729 -8.043 1.00 3.72 C ATOM 2105 O THR A 132 -12.719 12.392 -7.092 1.00 3.94 O ATOM 2106 CB THR A 132 -12.956 9.728 -6.573 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.849 10.329 -5.916 1.00 4.04 O ATOM 2108 CG2 THR A 132 -12.809 8.208 -6.544 1.00 4.63 C ATOM 0 H THR A 132 -10.900 10.034 -8.248 1.00 2.68 H new ATOM 0 HA THR A 132 -13.879 9.776 -8.512 1.00 3.30 H new ATOM 0 HB THR A 132 -13.877 10.009 -6.062 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.455 9.689 -5.287 1.00 4.04 H new ATOM 0 HG21 THR A 132 -12.773 7.866 -5.510 1.00 4.63 H new ATOM 0 HG22 THR A 132 -13.660 7.750 -7.048 1.00 4.63 H new ATOM 0 HG23 THR A 132 -11.889 7.922 -7.053 1.00 4.63 H new ATOM 2116 N ASN A 133 -13.532 12.283 -9.124 1.00 4.23 N ATOM 2117 CA ASN A 133 -13.608 13.769 -9.213 1.00 4.82 C ATOM 2118 C ASN A 133 -14.845 14.267 -8.429 1.00 5.34 C ATOM 2119 O ASN A 133 -15.849 13.583 -8.375 1.00 5.43 O ATOM 2120 CB ASN A 133 -13.734 14.183 -10.682 1.00 5.42 C ATOM 2121 CG ASN A 133 -12.828 13.303 -11.546 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -13.303 12.467 -12.288 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -11.535 13.460 -11.483 1.00 6.48 N ATOM 0 H ASN A 133 -13.850 11.778 -9.951 1.00 4.23 H new ATOM 0 HA ASN A 133 -12.706 14.208 -8.787 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -14.769 14.087 -11.009 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -13.458 15.231 -10.799 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -10.922 12.881 -12.057 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -11.136 14.162 -10.860 1.00 6.48 H new TER 2130 ASN A 133