USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1045 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 120 CYS SG : rot -134:sc= -6.52! USER MOD Set 1.2: A 127 CYS SG : rot -46:sc= -4.23! USER MOD Set 2.1: A 103 LYS NZ :NH3+ 175:sc= 2.23 (180deg=2.21) USER MOD Set 2.2: A 122 MET CE :methyl -178:sc= -0.0313 (180deg=-0.0318) USER MOD Set 3.1: A 83 THR OG1 : rot 176:sc= 1.19 USER MOD Set 3.2: A 85 THR OG1 : rot -150:sc= 0.73 USER MOD Set 3.3: A 98 GLN : amide:sc= 0.893 K(o=2.8,f=-2.5!) USER MOD Set 4.1: A 67 CYS SG : rot -34:sc= -0.322! USER MOD Set 4.2: A 87 CYS SG : rot -160:sc= -0.313 USER MOD Set 5.1: A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 43 CYS SG : rot -140:sc= 0 USER MOD Set 6.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 22 TYR OH : rot 180:sc= 1.02 USER MOD Set 7.2: A 105 SER OG : rot 171:sc= 1.64 USER MOD Set 8.1: A 17 LYS NZ :NH3+ -148:sc= 0.0276 (180deg=0) USER MOD Set 8.2: A 126 THR OG1 : rot 33:sc= 0.0374 USER MOD Single : A 5 GLN : amide:sc= 0.273 X(o=0.27,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -178:sc= 0 (180deg=-0.00694) USER MOD Single : A 24 LYS NZ :NH3+ -136:sc= 1.15 (180deg=0.489) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -177:sc= 0 (180deg=-0.00851) USER MOD Single : A 38 MET CE :methyl -132:sc= 0 (180deg=-0.024) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -86:sc= 0.93 USER MOD Single : A 47 CYS SG : rot 33:sc= 0.133 USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= 1.18 (180deg=0.767) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 140:sc= 0.0174 (180deg=-0.561) USER MOD Single : A 58 SER OG : rot 180:sc= -0.36 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.379 USER MOD Single : A 63 THR OG1 : rot -13:sc= 1.08 USER MOD Single : A 64 GLN : amide:sc= -0.0447 X(o=-0.045,f=-0.045) USER MOD Single : A 66 SER OG : rot 32:sc= 0.94 USER MOD Single : A 72 LYS NZ :NH3+ -144:sc= 0.966 (180deg=0.419) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -71:sc= 1.26 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 1.18 K(o=1.2,f=-0.01) USER MOD Single : A 88 ASN : amide:sc=-0.00519 X(o=-0.0052,f=-0.0071) USER MOD Single : A 90 THR OG1 : rot 44:sc= 1.08 USER MOD Single : A 96 GLN : amide:sc= 1.43 K(o=1.4,f=-7.1!) USER MOD Single : A 97 HIS : no HE2:sc= -0.8 K(o=0.68,f=-7.3!) USER MOD Single : A 106 THR OG1 : rot 44:sc= 0.937 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 175:sc= 1.17 (180deg=1.03) USER MOD Single : A 115 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0486) USER MOD Single : A 123 ASN : amide:sc= 0.868 K(o=0.87,f=-1.7) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 THR OG1 : rot -93:sc= 1.04 USER MOD Single : A 131 TYR OH : rot 30:sc= 0.725 USER MOD Single : A 133 LYS NZ :NH3+ 143:sc= 0.579 (180deg=0.418!) USER MOD ----------------------------------------------------------------- ATOM 14 N VAL A 4 0.542 -2.851 -2.941 1.00 0.00 N ATOM 15 CA VAL A 4 1.842 -2.745 -3.687 1.00 0.00 C ATOM 16 C VAL A 4 3.062 -3.518 -3.053 1.00 0.00 C ATOM 17 O VAL A 4 3.882 -4.063 -3.795 1.00 0.00 O ATOM 18 CB VAL A 4 2.106 -1.246 -4.064 1.00 0.00 C ATOM 19 CG1 VAL A 4 2.535 -0.339 -2.887 1.00 0.00 C ATOM 20 CG2 VAL A 4 3.125 -1.097 -5.214 1.00 0.00 C ATOM 0 HA VAL A 4 1.734 -3.304 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 4 1.126 -0.898 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.693 0.677 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.754 -0.335 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.461 -0.718 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.272 -0.040 -5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.075 -1.541 -4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.748 -1.605 -6.102 1.00 0.00 H new ATOM 30 N GLN A 5 3.142 -3.642 -1.711 1.00 0.00 N ATOM 31 CA GLN A 5 4.008 -4.648 -1.032 1.00 0.00 C ATOM 32 C GLN A 5 3.650 -6.148 -1.334 1.00 0.00 C ATOM 33 O GLN A 5 4.572 -6.955 -1.482 1.00 0.00 O ATOM 34 CB GLN A 5 4.023 -4.283 0.479 1.00 0.00 C ATOM 35 CG GLN A 5 5.079 -5.017 1.350 1.00 0.00 C ATOM 36 CD GLN A 5 4.597 -6.275 2.082 1.00 0.00 C ATOM 37 OE1 GLN A 5 4.145 -6.235 3.220 1.00 0.00 O ATOM 38 NE2 GLN A 5 4.675 -7.426 1.463 1.00 0.00 N ATOM 0 H GLN A 5 2.614 -3.055 -1.065 1.00 0.00 H new ATOM 0 HA GLN A 5 5.017 -4.591 -1.441 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.189 -3.210 0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.035 -4.489 0.891 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.918 -5.293 0.711 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.460 -4.314 2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.050 -7.471 0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.361 -8.278 1.928 1.00 0.00 H new ATOM 47 N GLN A 6 2.362 -6.540 -1.438 1.00 0.00 N ATOM 48 CA GLN A 6 1.965 -7.864 -2.013 1.00 0.00 C ATOM 49 C GLN A 6 2.323 -8.074 -3.525 1.00 0.00 C ATOM 50 O GLN A 6 2.762 -9.174 -3.869 1.00 0.00 O ATOM 51 CB GLN A 6 0.460 -8.138 -1.755 1.00 0.00 C ATOM 52 CG GLN A 6 0.079 -8.412 -0.278 1.00 0.00 C ATOM 53 CD GLN A 6 -1.415 -8.668 -0.068 1.00 0.00 C ATOM 54 OE1 GLN A 6 -1.898 -9.793 -0.132 1.00 0.00 O ATOM 55 NE2 GLN A 6 -2.195 -7.644 0.180 1.00 0.00 N ATOM 0 H GLN A 6 1.574 -5.967 -1.135 1.00 0.00 H new ATOM 0 HA GLN A 6 2.574 -8.597 -1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.114 -7.281 -2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.156 -8.995 -2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.641 -9.275 0.079 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.382 -7.560 0.331 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.801 -6.705 0.235 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.195 -7.787 0.318 1.00 0.00 H new ATOM 64 N LEU A 7 2.205 -7.054 -4.407 1.00 0.00 N ATOM 65 CA LEU A 7 2.855 -7.082 -5.754 1.00 0.00 C ATOM 66 C LEU A 7 4.426 -7.214 -5.788 1.00 0.00 C ATOM 67 O LEU A 7 4.945 -7.650 -6.819 1.00 0.00 O ATOM 68 CB LEU A 7 2.471 -5.843 -6.626 1.00 0.00 C ATOM 69 CG LEU A 7 0.995 -5.469 -6.936 1.00 0.00 C ATOM 70 CD1 LEU A 7 0.945 -4.404 -8.053 1.00 0.00 C ATOM 71 CD2 LEU A 7 0.140 -6.658 -7.382 1.00 0.00 C ATOM 0 H LEU A 7 1.672 -6.205 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 7 2.452 -8.009 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.920 -4.973 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.969 -5.971 -7.587 1.00 0.00 H new ATOM 0 HG LEU A 7 0.583 -5.093 -6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.093 -4.147 -8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.481 -3.512 -7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.412 -4.800 -8.955 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.877 -6.321 -7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.563 -7.090 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.125 -7.411 -6.594 1.00 0.00 H new ATOM 83 N GLU A 8 5.183 -6.831 -4.737 1.00 0.00 N ATOM 84 CA GLU A 8 6.670 -6.760 -4.777 1.00 0.00 C ATOM 85 C GLU A 8 7.360 -8.167 -4.834 1.00 0.00 C ATOM 86 O GLU A 8 7.349 -8.915 -3.849 1.00 0.00 O ATOM 87 CB GLU A 8 7.153 -5.904 -3.568 1.00 0.00 C ATOM 88 CG GLU A 8 8.438 -5.068 -3.802 1.00 0.00 C ATOM 89 CD GLU A 8 9.736 -5.806 -4.114 1.00 0.00 C ATOM 90 OE1 GLU A 8 10.032 -6.035 -5.308 1.00 0.00 O ATOM 91 OE2 GLU A 8 10.485 -6.118 -3.169 1.00 0.00 O ATOM 0 H GLU A 8 4.787 -6.562 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 8 6.972 -6.280 -5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.348 -5.226 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.324 -6.569 -2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.241 -4.380 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.606 -4.462 -2.912 1.00 0.00 H new ATOM 98 N GLY A 9 7.923 -8.530 -5.996 1.00 0.00 N ATOM 99 CA GLY A 9 8.622 -9.830 -6.194 1.00 0.00 C ATOM 100 C GLY A 9 8.759 -10.270 -7.671 1.00 0.00 C ATOM 101 O GLY A 9 8.410 -9.535 -8.604 1.00 0.00 O ATOM 0 H GLY A 9 7.912 -7.940 -6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.617 -9.763 -5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.084 -10.604 -5.647 1.00 0.00 H new ATOM 105 N ARG A 10 9.269 -11.496 -7.882 1.00 0.00 N ATOM 106 CA ARG A 10 9.318 -12.125 -9.240 1.00 0.00 C ATOM 107 C ARG A 10 8.078 -13.046 -9.475 1.00 0.00 C ATOM 108 O ARG A 10 7.670 -13.794 -8.585 1.00 0.00 O ATOM 109 CB ARG A 10 10.683 -12.846 -9.418 1.00 0.00 C ATOM 110 CG ARG A 10 10.900 -13.517 -10.804 1.00 0.00 C ATOM 111 CD ARG A 10 12.284 -14.163 -11.014 1.00 0.00 C ATOM 112 NE ARG A 10 13.278 -13.208 -11.593 1.00 0.00 N ATOM 113 CZ ARG A 10 14.378 -12.758 -10.993 1.00 0.00 C ATOM 114 NH1 ARG A 10 14.657 -12.993 -9.734 1.00 0.00 N ATOM 115 NH2 ARG A 10 15.223 -12.040 -11.683 1.00 0.00 N ATOM 0 H ARG A 10 9.655 -12.080 -7.140 1.00 0.00 H new ATOM 0 HA ARG A 10 9.255 -11.361 -10.015 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.482 -12.123 -9.253 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.777 -13.608 -8.644 1.00 0.00 H new ATOM 0 HG2 ARG A 10 10.136 -14.282 -10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.746 -12.768 -11.580 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.656 -14.536 -10.060 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.183 -15.024 -11.675 1.00 0.00 H new ATOM 0 HE ARG A 10 13.096 -12.869 -12.538 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.016 -13.545 -9.164 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.515 -12.624 -9.324 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.034 -11.833 -12.664 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.071 -11.686 -11.241 1.00 0.00 H new ATOM 129 N TRP A 11 7.479 -12.991 -10.677 1.00 0.00 N ATOM 130 CA TRP A 11 6.181 -13.665 -10.960 1.00 0.00 C ATOM 131 C TRP A 11 6.224 -14.408 -12.333 1.00 0.00 C ATOM 132 O TRP A 11 6.311 -13.752 -13.372 1.00 0.00 O ATOM 133 CB TRP A 11 5.061 -12.590 -10.975 1.00 0.00 C ATOM 134 CG TRP A 11 4.764 -11.864 -9.659 1.00 0.00 C ATOM 135 CD1 TRP A 11 5.231 -10.579 -9.320 1.00 0.00 C ATOM 136 CD2 TRP A 11 3.906 -12.232 -8.641 1.00 0.00 C ATOM 137 NE1 TRP A 11 4.649 -10.113 -8.129 1.00 0.00 N ATOM 138 CE2 TRP A 11 3.820 -11.146 -7.734 1.00 0.00 C ATOM 139 CE3 TRP A 11 3.146 -13.410 -8.426 1.00 0.00 C ATOM 140 CZ2 TRP A 11 2.936 -11.211 -6.635 1.00 0.00 C ATOM 141 CZ3 TRP A 11 2.305 -13.463 -7.312 1.00 0.00 C ATOM 142 CH2 TRP A 11 2.194 -12.374 -6.437 1.00 0.00 C ATOM 0 H TRP A 11 7.867 -12.488 -11.475 1.00 0.00 H new ATOM 0 HA TRP A 11 5.984 -14.406 -10.186 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.323 -11.840 -11.722 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.141 -13.067 -11.312 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.948 -10.021 -9.904 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.803 -9.219 -7.663 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.216 -14.245 -9.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.837 -10.374 -5.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.731 -14.358 -7.122 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.522 -12.437 -5.594 1.00 0.00 H new ATOM 153 N ARG A 12 6.090 -15.744 -12.391 1.00 0.00 N ATOM 154 CA ARG A 12 6.149 -16.506 -13.672 1.00 0.00 C ATOM 155 C ARG A 12 4.749 -16.840 -14.272 1.00 0.00 C ATOM 156 O ARG A 12 3.872 -17.358 -13.575 1.00 0.00 O ATOM 157 CB ARG A 12 6.978 -17.778 -13.407 1.00 0.00 C ATOM 158 CG ARG A 12 7.281 -18.637 -14.662 1.00 0.00 C ATOM 159 CD ARG A 12 8.055 -19.924 -14.347 1.00 0.00 C ATOM 160 NE ARG A 12 9.437 -19.584 -13.918 1.00 0.00 N ATOM 161 CZ ARG A 12 9.961 -19.817 -12.721 1.00 0.00 C ATOM 162 NH1 ARG A 12 9.389 -20.515 -11.766 1.00 0.00 N ATOM 163 NH2 ARG A 12 11.112 -19.267 -12.483 1.00 0.00 N ATOM 0 H ARG A 12 5.939 -16.329 -11.569 1.00 0.00 H new ATOM 0 HA ARG A 12 6.620 -15.883 -14.433 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.923 -17.488 -12.947 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.447 -18.395 -12.683 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.342 -18.897 -15.151 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.855 -18.041 -15.371 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.547 -20.483 -13.561 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.085 -20.567 -15.227 1.00 0.00 H new ATOM 0 HE ARG A 12 10.037 -19.130 -14.606 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.468 -20.928 -11.917 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.866 -20.644 -10.873 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.561 -18.694 -13.198 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.568 -19.408 -11.581 1.00 0.00 H new ATOM 177 N LEU A 13 4.573 -16.619 -15.591 1.00 0.00 N ATOM 178 CA LEU A 13 3.313 -16.973 -16.308 1.00 0.00 C ATOM 179 C LEU A 13 3.075 -18.518 -16.408 1.00 0.00 C ATOM 180 O LEU A 13 3.906 -19.257 -16.947 1.00 0.00 O ATOM 181 CB LEU A 13 3.342 -16.302 -17.712 1.00 0.00 C ATOM 182 CG LEU A 13 2.051 -16.414 -18.574 1.00 0.00 C ATOM 183 CD1 LEU A 13 0.864 -15.676 -17.938 1.00 0.00 C ATOM 184 CD2 LEU A 13 2.278 -15.863 -19.992 1.00 0.00 C ATOM 0 H LEU A 13 5.284 -16.197 -16.189 1.00 0.00 H new ATOM 0 HA LEU A 13 2.469 -16.595 -15.731 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.569 -15.244 -17.578 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.166 -16.736 -18.278 1.00 0.00 H new ATOM 0 HG LEU A 13 1.813 -17.476 -18.628 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.014 -15.782 -18.575 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.654 -16.102 -16.957 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.108 -14.619 -17.830 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.358 -15.955 -20.570 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.566 -14.813 -19.933 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.071 -16.430 -20.480 1.00 0.00 H new ATOM 196 N VAL A 14 1.918 -18.975 -15.906 1.00 0.00 N ATOM 197 CA VAL A 14 1.510 -20.417 -15.930 1.00 0.00 C ATOM 198 C VAL A 14 0.276 -20.668 -16.861 1.00 0.00 C ATOM 199 O VAL A 14 0.409 -21.420 -17.830 1.00 0.00 O ATOM 200 CB VAL A 14 1.401 -21.043 -14.492 1.00 0.00 C ATOM 201 CG1 VAL A 14 2.792 -21.338 -13.887 1.00 0.00 C ATOM 202 CG2 VAL A 14 0.575 -20.249 -13.449 1.00 0.00 C ATOM 0 H VAL A 14 1.227 -18.366 -15.468 1.00 0.00 H new ATOM 0 HA VAL A 14 2.321 -20.977 -16.396 1.00 0.00 H new ATOM 0 HB VAL A 14 0.845 -21.961 -14.683 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.672 -21.770 -12.893 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.325 -22.042 -14.526 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.361 -20.411 -13.814 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.576 -20.785 -12.500 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.017 -19.262 -13.310 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.450 -20.141 -13.803 1.00 0.00 H new ATOM 212 N ASP A 15 -0.896 -20.056 -16.596 1.00 0.00 N ATOM 213 CA ASP A 15 -2.070 -20.088 -17.520 1.00 0.00 C ATOM 214 C ASP A 15 -2.262 -18.702 -18.235 1.00 0.00 C ATOM 215 O ASP A 15 -1.885 -17.640 -17.726 1.00 0.00 O ATOM 216 CB ASP A 15 -3.295 -20.589 -16.704 1.00 0.00 C ATOM 217 CG ASP A 15 -4.641 -20.631 -17.434 1.00 0.00 C ATOM 218 OD1 ASP A 15 -4.665 -20.846 -18.668 1.00 0.00 O ATOM 219 OD2 ASP A 15 -5.678 -20.408 -16.777 1.00 0.00 O ATOM 0 H ASP A 15 -1.065 -19.525 -15.741 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.921 -20.785 -18.345 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.074 -21.593 -16.341 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.404 -19.950 -15.828 1.00 0.00 H new ATOM 224 N SER A 16 -2.835 -18.729 -19.453 1.00 0.00 N ATOM 225 CA SER A 16 -2.979 -17.513 -20.308 1.00 0.00 C ATOM 226 C SER A 16 -4.163 -17.587 -21.324 1.00 0.00 C ATOM 227 O SER A 16 -3.965 -17.522 -22.545 1.00 0.00 O ATOM 228 CB SER A 16 -1.607 -17.254 -20.979 1.00 0.00 C ATOM 229 OG SER A 16 -1.654 -16.100 -21.808 1.00 0.00 O ATOM 0 H SER A 16 -3.210 -19.578 -19.877 1.00 0.00 H new ATOM 0 HA SER A 16 -3.253 -16.663 -19.683 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.842 -17.125 -20.213 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.319 -18.121 -21.573 1.00 0.00 H new ATOM 0 HG SER A 16 -0.776 -15.957 -22.219 1.00 0.00 H new ATOM 235 N LYS A 17 -5.408 -17.625 -20.815 1.00 0.00 N ATOM 236 CA LYS A 17 -6.635 -17.686 -21.669 1.00 0.00 C ATOM 237 C LYS A 17 -6.866 -16.379 -22.503 1.00 0.00 C ATOM 238 O LYS A 17 -6.734 -15.275 -21.966 1.00 0.00 O ATOM 239 CB LYS A 17 -7.870 -18.116 -20.807 1.00 0.00 C ATOM 240 CG LYS A 17 -8.639 -17.018 -20.015 1.00 0.00 C ATOM 241 CD LYS A 17 -9.757 -16.311 -20.830 1.00 0.00 C ATOM 242 CE LYS A 17 -10.190 -14.947 -20.253 1.00 0.00 C ATOM 243 NZ LYS A 17 -11.015 -14.206 -21.250 1.00 0.00 N ATOM 0 H LYS A 17 -5.604 -17.615 -19.814 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.486 -18.457 -22.425 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.582 -18.608 -21.470 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.531 -18.865 -20.092 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.082 -17.469 -19.127 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.927 -16.268 -19.670 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.410 -16.167 -21.853 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.627 -16.966 -20.877 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.761 -15.096 -19.336 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.311 -14.360 -19.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.857 -13.184 -21.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.743 -14.497 -22.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.021 -14.419 -21.095 1.00 0.00 H new ATOM 257 N GLY A 18 -7.224 -16.495 -23.797 1.00 0.00 N ATOM 258 CA GLY A 18 -7.456 -15.304 -24.677 1.00 0.00 C ATOM 259 C GLY A 18 -6.254 -14.440 -25.152 1.00 0.00 C ATOM 260 O GLY A 18 -6.462 -13.445 -25.851 1.00 0.00 O ATOM 0 H GLY A 18 -7.361 -17.391 -24.266 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.974 -15.657 -25.569 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.143 -14.641 -24.151 1.00 0.00 H new ATOM 264 N PHE A 19 -5.008 -14.806 -24.807 1.00 0.00 N ATOM 265 CA PHE A 19 -3.790 -14.068 -25.243 1.00 0.00 C ATOM 266 C PHE A 19 -3.426 -14.178 -26.763 1.00 0.00 C ATOM 267 O PHE A 19 -2.976 -13.181 -27.332 1.00 0.00 O ATOM 268 CB PHE A 19 -2.643 -14.454 -24.272 1.00 0.00 C ATOM 269 CG PHE A 19 -1.341 -13.630 -24.353 1.00 0.00 C ATOM 270 CD1 PHE A 19 -1.362 -12.232 -24.257 1.00 0.00 C ATOM 271 CD2 PHE A 19 -0.111 -14.285 -24.488 1.00 0.00 C ATOM 272 CE1 PHE A 19 -0.178 -11.503 -24.327 1.00 0.00 C ATOM 273 CE2 PHE A 19 1.074 -13.555 -24.543 1.00 0.00 C ATOM 274 CZ PHE A 19 1.039 -12.166 -24.465 1.00 0.00 C ATOM 0 H PHE A 19 -4.807 -15.616 -24.221 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.992 -12.999 -25.175 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.025 -14.383 -23.254 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.392 -15.500 -24.446 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.302 -11.717 -24.128 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.081 -15.363 -24.550 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.203 -10.425 -24.274 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.019 -14.067 -24.646 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.958 -11.601 -24.512 1.00 0.00 H new ATOM 284 N ASP A 20 -3.677 -15.323 -27.435 1.00 0.00 N ATOM 285 CA ASP A 20 -3.698 -15.412 -28.926 1.00 0.00 C ATOM 286 C ASP A 20 -4.587 -14.325 -29.639 1.00 0.00 C ATOM 287 O ASP A 20 -4.078 -13.566 -30.469 1.00 0.00 O ATOM 288 CB ASP A 20 -4.070 -16.881 -29.288 1.00 0.00 C ATOM 289 CG ASP A 20 -3.851 -17.246 -30.752 1.00 0.00 C ATOM 290 OD1 ASP A 20 -2.687 -17.482 -31.133 1.00 0.00 O ATOM 291 OD2 ASP A 20 -4.804 -17.213 -31.557 1.00 0.00 O ATOM 0 H ASP A 20 -3.870 -16.210 -26.970 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.710 -15.170 -29.318 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.481 -17.555 -28.666 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.117 -17.050 -29.037 1.00 0.00 H new ATOM 296 N GLU A 21 -5.879 -14.222 -29.271 1.00 0.00 N ATOM 297 CA GLU A 21 -6.794 -13.117 -29.691 1.00 0.00 C ATOM 298 C GLU A 21 -6.296 -11.668 -29.366 1.00 0.00 C ATOM 299 O GLU A 21 -6.269 -10.816 -30.259 1.00 0.00 O ATOM 300 CB GLU A 21 -8.197 -13.376 -29.077 1.00 0.00 C ATOM 301 CG GLU A 21 -8.903 -14.707 -29.448 1.00 0.00 C ATOM 302 CD GLU A 21 -10.091 -15.019 -28.555 1.00 0.00 C ATOM 303 OE1 GLU A 21 -9.874 -15.509 -27.426 1.00 0.00 O ATOM 304 OE2 GLU A 21 -11.240 -14.790 -28.984 1.00 0.00 O ATOM 0 H GLU A 21 -6.332 -14.907 -28.666 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.827 -13.141 -30.780 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.103 -13.336 -27.992 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.850 -12.555 -29.371 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.238 -14.657 -30.484 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.184 -15.523 -29.384 1.00 0.00 H new ATOM 311 N TYR A 22 -5.867 -11.403 -28.115 1.00 0.00 N ATOM 312 CA TYR A 22 -5.241 -10.112 -27.716 1.00 0.00 C ATOM 313 C TYR A 22 -3.962 -9.697 -28.524 1.00 0.00 C ATOM 314 O TYR A 22 -3.911 -8.566 -29.015 1.00 0.00 O ATOM 315 CB TYR A 22 -5.048 -10.186 -26.176 1.00 0.00 C ATOM 316 CG TYR A 22 -4.575 -8.887 -25.512 1.00 0.00 C ATOM 317 CD1 TYR A 22 -5.476 -7.837 -25.306 1.00 0.00 C ATOM 318 CD2 TYR A 22 -3.240 -8.736 -25.123 1.00 0.00 C ATOM 319 CE1 TYR A 22 -5.042 -6.651 -24.720 1.00 0.00 C ATOM 320 CE2 TYR A 22 -2.813 -7.551 -24.528 1.00 0.00 C ATOM 321 CZ TYR A 22 -3.711 -6.503 -24.341 1.00 0.00 C ATOM 322 OH TYR A 22 -3.282 -5.319 -23.803 1.00 0.00 O ATOM 0 H TYR A 22 -5.942 -12.073 -27.349 1.00 0.00 H new ATOM 0 HA TYR A 22 -5.901 -9.286 -27.981 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.993 -10.484 -25.722 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.326 -10.972 -25.954 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.509 -7.946 -25.602 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.538 -9.541 -25.284 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.740 -5.843 -24.559 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.786 -7.445 -24.212 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.327 -5.383 -23.592 1.00 0.00 H new ATOM 332 N MET A 23 -2.973 -10.593 -28.719 1.00 0.00 N ATOM 333 CA MET A 23 -1.853 -10.360 -29.680 1.00 0.00 C ATOM 334 C MET A 23 -2.266 -10.140 -31.183 1.00 0.00 C ATOM 335 O MET A 23 -1.640 -9.322 -31.863 1.00 0.00 O ATOM 336 CB MET A 23 -0.788 -11.484 -29.547 1.00 0.00 C ATOM 337 CG MET A 23 -0.071 -11.611 -28.186 1.00 0.00 C ATOM 338 SD MET A 23 1.314 -12.769 -28.290 1.00 0.00 S ATOM 339 CE MET A 23 0.471 -14.363 -28.295 1.00 0.00 C ATOM 0 H MET A 23 -2.919 -11.486 -28.229 1.00 0.00 H new ATOM 0 HA MET A 23 -1.429 -9.400 -29.387 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.271 -12.436 -29.766 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.031 -11.327 -30.315 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.291 -10.633 -27.869 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.778 -11.950 -27.429 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.209 -15.165 -28.320 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.136 -14.456 -27.395 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.170 -14.433 -29.174 1.00 0.00 H new ATOM 349 N LYS A 24 -3.316 -10.808 -31.703 1.00 0.00 N ATOM 350 CA LYS A 24 -3.922 -10.462 -33.028 1.00 0.00 C ATOM 351 C LYS A 24 -4.582 -9.033 -33.098 1.00 0.00 C ATOM 352 O LYS A 24 -4.268 -8.294 -34.034 1.00 0.00 O ATOM 353 CB LYS A 24 -4.882 -11.600 -33.488 1.00 0.00 C ATOM 354 CG LYS A 24 -4.174 -12.936 -33.844 1.00 0.00 C ATOM 355 CD LYS A 24 -5.074 -14.128 -34.248 1.00 0.00 C ATOM 356 CE LYS A 24 -6.069 -14.575 -33.160 1.00 0.00 C ATOM 357 NZ LYS A 24 -6.388 -16.023 -33.236 1.00 0.00 N ATOM 0 H LYS A 24 -3.770 -11.592 -31.234 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.099 -10.391 -33.740 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.608 -11.788 -32.697 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.441 -11.257 -34.358 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.481 -12.743 -34.663 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.576 -13.240 -32.985 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.632 -13.858 -35.144 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.439 -14.974 -34.511 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.653 -14.350 -32.178 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.989 -13.999 -33.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.412 -16.160 -33.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.094 -16.395 -34.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.882 -16.530 -32.482 1.00 0.00 H new ATOM 371 N GLU A 25 -5.431 -8.614 -32.129 1.00 0.00 N ATOM 372 CA GLU A 25 -5.971 -7.213 -32.059 1.00 0.00 C ATOM 373 C GLU A 25 -4.923 -6.072 -31.771 1.00 0.00 C ATOM 374 O GLU A 25 -4.997 -5.000 -32.386 1.00 0.00 O ATOM 375 CB GLU A 25 -7.193 -7.216 -31.094 1.00 0.00 C ATOM 376 CG GLU A 25 -7.975 -5.884 -30.892 1.00 0.00 C ATOM 377 CD GLU A 25 -8.345 -5.008 -32.092 1.00 0.00 C ATOM 378 OE1 GLU A 25 -8.536 -5.515 -33.215 1.00 0.00 O ATOM 379 OE2 GLU A 25 -8.371 -3.766 -31.925 1.00 0.00 O ATOM 0 H GLU A 25 -5.764 -9.219 -31.379 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.289 -6.934 -33.063 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.899 -7.965 -31.453 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.844 -7.549 -30.116 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.903 -6.131 -30.377 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.388 -5.267 -30.212 1.00 0.00 H new ATOM 386 N LEU A 26 -3.911 -6.290 -30.907 1.00 0.00 N ATOM 387 CA LEU A 26 -2.659 -5.464 -30.899 1.00 0.00 C ATOM 388 C LEU A 26 -1.900 -5.326 -32.270 1.00 0.00 C ATOM 389 O LEU A 26 -1.413 -4.239 -32.593 1.00 0.00 O ATOM 390 CB LEU A 26 -1.674 -6.030 -29.831 1.00 0.00 C ATOM 391 CG LEU A 26 -2.017 -5.867 -28.328 1.00 0.00 C ATOM 392 CD1 LEU A 26 -0.957 -6.595 -27.485 1.00 0.00 C ATOM 393 CD2 LEU A 26 -2.096 -4.397 -27.886 1.00 0.00 C ATOM 0 H LEU A 26 -3.924 -7.027 -30.202 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.000 -4.456 -30.665 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.554 -7.095 -30.027 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.703 -5.563 -29.999 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.005 -6.301 -28.174 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.194 -6.483 -26.427 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.949 -7.653 -27.745 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.025 -6.165 -27.684 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.339 -4.349 -26.825 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.135 -3.912 -28.060 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.870 -3.886 -28.459 1.00 0.00 H new ATOM 405 N GLY A 27 -1.768 -6.427 -33.029 1.00 0.00 N ATOM 406 CA GLY A 27 -0.968 -6.481 -34.282 1.00 0.00 C ATOM 407 C GLY A 27 0.450 -7.067 -34.129 1.00 0.00 C ATOM 408 O GLY A 27 1.424 -6.432 -34.534 1.00 0.00 O ATOM 0 H GLY A 27 -2.213 -7.315 -32.796 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.512 -7.075 -35.017 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.886 -5.472 -34.686 1.00 0.00 H new ATOM 412 N VAL A 28 0.554 -8.277 -33.565 1.00 0.00 N ATOM 413 CA VAL A 28 1.861 -8.924 -33.241 1.00 0.00 C ATOM 414 C VAL A 28 2.296 -9.857 -34.418 1.00 0.00 C ATOM 415 O VAL A 28 1.505 -10.667 -34.917 1.00 0.00 O ATOM 416 CB VAL A 28 1.760 -9.666 -31.861 1.00 0.00 C ATOM 417 CG1 VAL A 28 3.044 -10.408 -31.425 1.00 0.00 C ATOM 418 CG2 VAL A 28 1.394 -8.760 -30.659 1.00 0.00 C ATOM 0 H VAL A 28 -0.255 -8.845 -33.315 1.00 0.00 H new ATOM 0 HA VAL A 28 2.643 -8.172 -33.134 1.00 0.00 H new ATOM 0 HB VAL A 28 0.957 -10.370 -32.079 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.877 -10.889 -30.461 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.298 -11.164 -32.168 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.864 -9.695 -31.337 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.348 -9.361 -29.751 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.152 -7.985 -30.543 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.424 -8.295 -30.836 1.00 0.00 H new ATOM 428 N GLY A 29 3.578 -9.782 -34.821 1.00 0.00 N ATOM 429 CA GLY A 29 4.141 -10.668 -35.876 1.00 0.00 C ATOM 430 C GLY A 29 4.203 -12.180 -35.541 1.00 0.00 C ATOM 431 O GLY A 29 4.285 -12.575 -34.377 1.00 0.00 O ATOM 0 H GLY A 29 4.250 -9.118 -34.436 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.547 -10.542 -36.781 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.150 -10.327 -36.107 1.00 0.00 H new ATOM 435 N ILE A 30 4.182 -13.036 -36.574 1.00 0.00 N ATOM 436 CA ILE A 30 4.075 -14.527 -36.409 1.00 0.00 C ATOM 437 C ILE A 30 5.148 -15.233 -35.505 1.00 0.00 C ATOM 438 O ILE A 30 4.778 -16.000 -34.610 1.00 0.00 O ATOM 439 CB ILE A 30 3.891 -15.259 -37.788 1.00 0.00 C ATOM 440 CG1 ILE A 30 4.990 -14.965 -38.853 1.00 0.00 C ATOM 441 CG2 ILE A 30 2.479 -15.036 -38.385 1.00 0.00 C ATOM 442 CD1 ILE A 30 5.219 -16.099 -39.863 1.00 0.00 C ATOM 0 H ILE A 30 4.237 -12.736 -37.547 1.00 0.00 H new ATOM 0 HA ILE A 30 3.164 -14.636 -35.821 1.00 0.00 H new ATOM 0 HB ILE A 30 4.009 -16.313 -37.535 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.718 -14.061 -39.397 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.929 -14.758 -38.340 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.400 -15.561 -39.337 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.728 -15.420 -37.695 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.315 -13.970 -38.543 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.000 -15.808 -40.566 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.525 -17.001 -39.334 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.295 -16.293 -40.407 1.00 0.00 H new ATOM 454 N ALA A 31 6.450 -14.950 -35.692 1.00 0.00 N ATOM 455 CA ALA A 31 7.517 -15.365 -34.739 1.00 0.00 C ATOM 456 C ALA A 31 7.392 -14.802 -33.281 1.00 0.00 C ATOM 457 O ALA A 31 7.538 -15.562 -32.324 1.00 0.00 O ATOM 458 CB ALA A 31 8.866 -15.015 -35.395 1.00 0.00 C ATOM 0 H ALA A 31 6.799 -14.432 -36.498 1.00 0.00 H new ATOM 0 HA ALA A 31 7.418 -16.437 -34.571 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.680 -15.303 -34.729 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.962 -15.552 -36.339 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.912 -13.942 -35.582 1.00 0.00 H new ATOM 464 N LEU A 32 7.069 -13.508 -33.114 1.00 0.00 N ATOM 465 CA LEU A 32 6.726 -12.903 -31.789 1.00 0.00 C ATOM 466 C LEU A 32 5.437 -13.468 -31.089 1.00 0.00 C ATOM 467 O LEU A 32 5.472 -13.718 -29.881 1.00 0.00 O ATOM 468 CB LEU A 32 6.707 -11.358 -31.972 1.00 0.00 C ATOM 469 CG LEU A 32 8.114 -10.704 -32.132 1.00 0.00 C ATOM 470 CD1 LEU A 32 8.122 -9.619 -33.220 1.00 0.00 C ATOM 471 CD2 LEU A 32 8.616 -10.120 -30.800 1.00 0.00 C ATOM 0 H LEU A 32 7.035 -12.842 -33.885 1.00 0.00 H new ATOM 0 HA LEU A 32 7.497 -13.196 -31.076 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.107 -11.117 -32.850 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.209 -10.910 -31.112 1.00 0.00 H new ATOM 0 HG LEU A 32 8.794 -11.498 -32.442 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.121 -9.190 -33.298 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.841 -10.060 -34.176 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.410 -8.836 -32.958 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.599 -9.672 -30.947 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.919 -9.359 -30.451 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.687 -10.915 -30.058 1.00 0.00 H new ATOM 483 N ARG A 33 4.344 -13.745 -31.830 1.00 0.00 N ATOM 484 CA ARG A 33 3.224 -14.621 -31.365 1.00 0.00 C ATOM 485 C ARG A 33 3.649 -16.060 -30.903 1.00 0.00 C ATOM 486 O ARG A 33 3.288 -16.475 -29.798 1.00 0.00 O ATOM 487 CB ARG A 33 2.138 -14.687 -32.483 1.00 0.00 C ATOM 488 CG ARG A 33 1.230 -13.438 -32.614 1.00 0.00 C ATOM 489 CD ARG A 33 0.106 -13.442 -33.688 1.00 0.00 C ATOM 490 NE ARG A 33 -0.563 -14.746 -33.984 1.00 0.00 N ATOM 491 CZ ARG A 33 -1.278 -15.467 -33.126 1.00 0.00 C ATOM 492 NH1 ARG A 33 -1.580 -15.079 -31.922 1.00 0.00 N ATOM 493 NH2 ARG A 33 -1.699 -16.643 -33.482 1.00 0.00 N ATOM 0 H ARG A 33 4.203 -13.372 -32.769 1.00 0.00 H new ATOM 0 HA ARG A 33 2.825 -14.161 -30.461 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.636 -14.853 -33.438 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.505 -15.555 -32.298 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.761 -13.267 -31.645 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.873 -12.581 -32.812 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.661 -12.734 -33.374 1.00 0.00 H new ATOM 0 HD3 ARG A 33 0.529 -13.062 -34.618 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.462 -15.116 -34.929 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.264 -14.170 -31.585 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.133 -15.684 -31.315 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.480 -17.003 -34.411 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.248 -17.206 -32.833 1.00 0.00 H new ATOM 507 N LYS A 34 4.432 -16.794 -31.720 1.00 0.00 N ATOM 508 CA LYS A 34 5.062 -18.084 -31.325 1.00 0.00 C ATOM 509 C LYS A 34 5.986 -18.030 -30.053 1.00 0.00 C ATOM 510 O LYS A 34 5.808 -18.857 -29.156 1.00 0.00 O ATOM 511 CB LYS A 34 5.737 -18.633 -32.610 1.00 0.00 C ATOM 512 CG LYS A 34 6.250 -20.084 -32.509 1.00 0.00 C ATOM 513 CD LYS A 34 6.816 -20.597 -33.848 1.00 0.00 C ATOM 514 CE LYS A 34 7.351 -22.037 -33.740 1.00 0.00 C ATOM 515 NZ LYS A 34 7.871 -22.487 -35.060 1.00 0.00 N ATOM 0 H LYS A 34 4.650 -16.513 -32.676 1.00 0.00 H new ATOM 0 HA LYS A 34 4.302 -18.777 -30.964 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.023 -18.573 -33.431 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.575 -17.985 -32.867 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.024 -20.141 -31.744 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.436 -20.734 -32.188 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.037 -20.557 -34.609 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.618 -19.937 -34.178 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.143 -22.084 -32.993 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.557 -22.705 -33.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.230 -23.460 -34.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.105 -22.459 -35.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.642 -21.858 -35.362 1.00 0.00 H new ATOM 529 N MET A 35 6.914 -17.054 -29.944 1.00 0.00 N ATOM 530 CA MET A 35 7.670 -16.772 -28.684 1.00 0.00 C ATOM 531 C MET A 35 6.777 -16.429 -27.441 1.00 0.00 C ATOM 532 O MET A 35 6.891 -17.105 -26.415 1.00 0.00 O ATOM 533 CB MET A 35 8.728 -15.657 -28.926 1.00 0.00 C ATOM 534 CG MET A 35 9.885 -15.991 -29.893 1.00 0.00 C ATOM 535 SD MET A 35 11.255 -14.821 -29.708 1.00 0.00 S ATOM 536 CE MET A 35 10.530 -13.278 -30.298 1.00 0.00 C ATOM 0 H MET A 35 7.166 -16.438 -30.717 1.00 0.00 H new ATOM 0 HA MET A 35 8.165 -17.708 -28.427 1.00 0.00 H new ATOM 0 HB2 MET A 35 8.211 -14.776 -29.306 1.00 0.00 H new ATOM 0 HB3 MET A 35 9.159 -15.383 -27.963 1.00 0.00 H new ATOM 0 HG2 MET A 35 10.240 -17.004 -29.702 1.00 0.00 H new ATOM 0 HG3 MET A 35 9.521 -15.969 -30.920 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.286 -12.493 -30.286 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.164 -13.414 -31.316 1.00 0.00 H new ATOM 0 HE3 MET A 35 9.701 -12.994 -29.649 1.00 0.00 H new ATOM 546 N GLY A 36 5.888 -15.416 -27.530 1.00 0.00 N ATOM 547 CA GLY A 36 4.947 -15.053 -26.429 1.00 0.00 C ATOM 548 C GLY A 36 3.972 -16.124 -25.877 1.00 0.00 C ATOM 549 O GLY A 36 3.726 -16.142 -24.669 1.00 0.00 O ATOM 0 H GLY A 36 5.796 -14.826 -28.357 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.546 -14.694 -25.592 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.347 -14.212 -26.776 1.00 0.00 H new ATOM 553 N ALA A 37 3.429 -17.004 -26.734 1.00 0.00 N ATOM 554 CA ALA A 37 2.606 -18.160 -26.296 1.00 0.00 C ATOM 555 C ALA A 37 3.341 -19.259 -25.449 1.00 0.00 C ATOM 556 O ALA A 37 2.869 -19.582 -24.356 1.00 0.00 O ATOM 557 CB ALA A 37 1.945 -18.723 -27.571 1.00 0.00 C ATOM 0 H ALA A 37 3.543 -16.941 -27.746 1.00 0.00 H new ATOM 0 HA ALA A 37 1.870 -17.805 -25.575 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.324 -19.580 -27.311 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.326 -17.952 -28.031 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.717 -19.035 -28.274 1.00 0.00 H new ATOM 563 N MET A 38 4.462 -19.839 -25.927 1.00 0.00 N ATOM 564 CA MET A 38 5.158 -20.962 -25.218 1.00 0.00 C ATOM 565 C MET A 38 6.202 -20.607 -24.103 1.00 0.00 C ATOM 566 O MET A 38 6.433 -21.440 -23.220 1.00 0.00 O ATOM 567 CB MET A 38 5.728 -21.956 -26.268 1.00 0.00 C ATOM 568 CG MET A 38 6.969 -21.510 -27.075 1.00 0.00 C ATOM 569 SD MET A 38 7.479 -22.800 -28.232 1.00 0.00 S ATOM 570 CE MET A 38 6.288 -22.559 -29.564 1.00 0.00 C ATOM 0 H MET A 38 4.913 -19.557 -26.798 1.00 0.00 H new ATOM 0 HA MET A 38 4.376 -21.424 -24.616 1.00 0.00 H new ATOM 0 HB2 MET A 38 5.978 -22.883 -25.752 1.00 0.00 H new ATOM 0 HB3 MET A 38 4.933 -22.190 -26.976 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.743 -20.594 -27.621 1.00 0.00 H new ATOM 0 HG3 MET A 38 7.789 -21.281 -26.394 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.857 -23.520 -29.845 1.00 0.00 H new ATOM 0 HE2 MET A 38 5.496 -21.890 -29.227 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.790 -22.121 -30.426 1.00 0.00 H new ATOM 580 N ALA A 39 6.853 -19.427 -24.139 1.00 0.00 N ATOM 581 CA ALA A 39 8.030 -19.116 -23.278 1.00 0.00 C ATOM 582 C ALA A 39 7.871 -19.113 -21.723 1.00 0.00 C ATOM 583 O ALA A 39 8.834 -19.444 -21.026 1.00 0.00 O ATOM 584 CB ALA A 39 8.577 -17.765 -23.767 1.00 0.00 C ATOM 0 H ALA A 39 6.586 -18.662 -24.759 1.00 0.00 H new ATOM 0 HA ALA A 39 8.705 -19.963 -23.403 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.445 -17.486 -23.169 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.869 -17.848 -24.814 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.805 -17.002 -23.665 1.00 0.00 H new ATOM 590 N LYS A 40 6.694 -18.723 -21.192 1.00 0.00 N ATOM 591 CA LYS A 40 6.413 -18.641 -19.722 1.00 0.00 C ATOM 592 C LYS A 40 7.310 -17.583 -18.964 1.00 0.00 C ATOM 593 O LYS A 40 8.138 -17.993 -18.143 1.00 0.00 O ATOM 594 CB LYS A 40 6.371 -20.059 -19.071 1.00 0.00 C ATOM 595 CG LYS A 40 5.249 -20.997 -19.594 1.00 0.00 C ATOM 596 CD LYS A 40 5.415 -22.478 -19.197 1.00 0.00 C ATOM 597 CE LYS A 40 6.493 -23.210 -20.025 1.00 0.00 C ATOM 598 NZ LYS A 40 6.538 -24.644 -19.631 1.00 0.00 N ATOM 0 H LYS A 40 5.897 -18.451 -21.767 1.00 0.00 H new ATOM 0 HA LYS A 40 5.408 -18.235 -19.606 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.333 -20.544 -19.235 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.252 -19.943 -17.994 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.290 -20.639 -19.219 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.213 -20.928 -20.681 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.675 -22.538 -18.140 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.461 -22.990 -19.320 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.271 -23.122 -21.089 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.467 -22.747 -19.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.265 -25.135 -20.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.769 -24.719 -18.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.611 -25.082 -19.807 1.00 0.00 H new ATOM 612 N PRO A 41 7.202 -16.236 -19.196 1.00 0.00 N ATOM 613 CA PRO A 41 8.162 -15.246 -18.630 1.00 0.00 C ATOM 614 C PRO A 41 8.051 -14.950 -17.101 1.00 0.00 C ATOM 615 O PRO A 41 6.954 -14.850 -16.540 1.00 0.00 O ATOM 616 CB PRO A 41 7.864 -13.995 -19.480 1.00 0.00 C ATOM 617 CG PRO A 41 6.423 -14.149 -19.961 1.00 0.00 C ATOM 618 CD PRO A 41 6.311 -15.648 -20.219 1.00 0.00 C ATOM 0 HA PRO A 41 9.183 -15.625 -18.684 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.984 -13.085 -18.892 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.551 -13.923 -20.323 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.708 -13.813 -19.210 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.234 -13.568 -20.864 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.285 -16.000 -20.109 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.631 -15.908 -21.228 1.00 0.00 H new ATOM 626 N ASP A 42 9.222 -14.736 -16.478 1.00 0.00 N ATOM 627 CA ASP A 42 9.349 -14.254 -15.081 1.00 0.00 C ATOM 628 C ASP A 42 9.305 -12.685 -15.047 1.00 0.00 C ATOM 629 O ASP A 42 10.279 -11.994 -15.360 1.00 0.00 O ATOM 630 CB ASP A 42 10.668 -14.846 -14.506 1.00 0.00 C ATOM 631 CG ASP A 42 10.547 -16.240 -13.885 1.00 0.00 C ATOM 632 OD1 ASP A 42 10.198 -16.321 -12.692 1.00 0.00 O ATOM 633 OD2 ASP A 42 10.841 -17.265 -14.543 1.00 0.00 O ATOM 0 H ASP A 42 10.122 -14.893 -16.931 1.00 0.00 H new ATOM 0 HA ASP A 42 8.519 -14.586 -14.458 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.407 -14.886 -15.306 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.054 -14.162 -13.750 1.00 0.00 H new ATOM 638 N CYS A 43 8.142 -12.128 -14.677 1.00 0.00 N ATOM 639 CA CYS A 43 7.915 -10.670 -14.554 1.00 0.00 C ATOM 640 C CYS A 43 8.192 -10.153 -13.110 1.00 0.00 C ATOM 641 O CYS A 43 7.501 -10.511 -12.152 1.00 0.00 O ATOM 642 CB CYS A 43 6.466 -10.402 -15.014 1.00 0.00 C ATOM 643 SG CYS A 43 6.132 -8.608 -15.034 1.00 0.00 S ATOM 0 H CYS A 43 7.316 -12.682 -14.450 1.00 0.00 H new ATOM 0 HA CYS A 43 8.614 -10.118 -15.182 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.310 -10.819 -16.009 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.766 -10.902 -14.345 1.00 0.00 H new ATOM 0 HG CYS A 43 4.932 -8.385 -14.587 1.00 0.00 H new ATOM 649 N ILE A 44 9.191 -9.271 -12.967 1.00 0.00 N ATOM 650 CA ILE A 44 9.559 -8.649 -11.664 1.00 0.00 C ATOM 651 C ILE A 44 8.771 -7.310 -11.540 1.00 0.00 C ATOM 652 O ILE A 44 8.949 -6.400 -12.357 1.00 0.00 O ATOM 653 CB ILE A 44 11.102 -8.463 -11.460 1.00 0.00 C ATOM 654 CG1 ILE A 44 11.947 -9.753 -11.655 1.00 0.00 C ATOM 655 CG2 ILE A 44 11.430 -7.915 -10.043 1.00 0.00 C ATOM 656 CD1 ILE A 44 12.245 -10.130 -13.116 1.00 0.00 C ATOM 0 H ILE A 44 9.774 -8.961 -13.745 1.00 0.00 H new ATOM 0 HA ILE A 44 9.278 -9.328 -10.859 1.00 0.00 H new ATOM 0 HB ILE A 44 11.375 -7.754 -12.241 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.894 -9.630 -11.129 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.425 -10.585 -11.182 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.509 -7.799 -9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.946 -6.948 -9.906 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.065 -8.613 -9.290 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.839 -11.043 -13.142 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.308 -10.292 -13.649 1.00 0.00 H new ATOM 0 HD13 ILE A 44 12.800 -9.323 -13.594 1.00 0.00 H new ATOM 668 N ILE A 45 7.932 -7.200 -10.501 1.00 0.00 N ATOM 669 CA ILE A 45 7.303 -5.908 -10.094 1.00 0.00 C ATOM 670 C ILE A 45 8.044 -5.454 -8.793 1.00 0.00 C ATOM 671 O ILE A 45 7.977 -6.160 -7.784 1.00 0.00 O ATOM 672 CB ILE A 45 5.751 -6.099 -9.927 1.00 0.00 C ATOM 673 CG1 ILE A 45 5.004 -6.417 -11.261 1.00 0.00 C ATOM 674 CG2 ILE A 45 5.064 -4.865 -9.289 1.00 0.00 C ATOM 675 CD1 ILE A 45 3.827 -7.393 -11.100 1.00 0.00 C ATOM 0 H ILE A 45 7.663 -7.990 -9.914 1.00 0.00 H new ATOM 0 HA ILE A 45 7.407 -5.123 -10.844 1.00 0.00 H new ATOM 0 HB ILE A 45 5.672 -6.961 -9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.634 -5.485 -11.690 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.715 -6.836 -11.973 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.994 -5.051 -9.197 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.487 -4.684 -8.301 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.227 -3.991 -9.920 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.360 -7.563 -12.070 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.191 -8.340 -10.702 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.094 -6.969 -10.414 1.00 0.00 H new ATOM 687 N THR A 46 8.734 -4.295 -8.807 1.00 0.00 N ATOM 688 CA THR A 46 9.474 -3.779 -7.606 1.00 0.00 C ATOM 689 C THR A 46 9.243 -2.242 -7.421 1.00 0.00 C ATOM 690 O THR A 46 9.382 -1.457 -8.363 1.00 0.00 O ATOM 691 CB THR A 46 10.973 -4.221 -7.657 1.00 0.00 C ATOM 692 OG1 THR A 46 11.049 -5.629 -7.435 1.00 0.00 O ATOM 693 CG2 THR A 46 11.902 -3.603 -6.597 1.00 0.00 C ATOM 0 H THR A 46 8.802 -3.691 -9.626 1.00 0.00 H new ATOM 0 HA THR A 46 9.070 -4.230 -6.700 1.00 0.00 H new ATOM 0 HB THR A 46 11.310 -3.883 -8.637 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.078 -5.807 -6.472 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.914 -3.985 -6.733 1.00 0.00 H new ATOM 0 HG22 THR A 46 11.906 -2.518 -6.704 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.545 -3.868 -5.602 1.00 0.00 H new ATOM 701 N CYS A 47 8.878 -1.819 -6.194 1.00 0.00 N ATOM 702 CA CYS A 47 8.400 -0.440 -5.901 1.00 0.00 C ATOM 703 C CYS A 47 9.423 0.472 -5.149 1.00 0.00 C ATOM 704 O CYS A 47 10.038 0.063 -4.160 1.00 0.00 O ATOM 705 CB CYS A 47 7.095 -0.610 -5.088 1.00 0.00 C ATOM 706 SG CYS A 47 7.352 -1.518 -3.519 1.00 0.00 S ATOM 0 H CYS A 47 8.904 -2.421 -5.371 1.00 0.00 H new ATOM 0 HA CYS A 47 8.247 0.087 -6.843 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.677 0.373 -4.870 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.361 -1.141 -5.694 1.00 0.00 H new ATOM 0 HG CYS A 47 8.537 -1.255 -3.054 1.00 0.00 H new ATOM 712 N ASP A 48 9.527 1.743 -5.581 1.00 0.00 N ATOM 713 CA ASP A 48 10.210 2.824 -4.816 1.00 0.00 C ATOM 714 C ASP A 48 9.282 4.090 -4.787 1.00 0.00 C ATOM 715 O ASP A 48 9.363 4.980 -5.644 1.00 0.00 O ATOM 716 CB ASP A 48 11.618 3.045 -5.431 1.00 0.00 C ATOM 717 CG ASP A 48 12.514 4.021 -4.666 1.00 0.00 C ATOM 718 OD1 ASP A 48 12.598 3.923 -3.422 1.00 0.00 O ATOM 719 OD2 ASP A 48 13.142 4.887 -5.310 1.00 0.00 O ATOM 0 H ASP A 48 9.142 2.058 -6.471 1.00 0.00 H new ATOM 0 HA ASP A 48 10.377 2.562 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.126 2.082 -5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.499 3.409 -6.452 1.00 0.00 H new ATOM 724 N GLY A 49 8.360 4.148 -3.802 1.00 0.00 N ATOM 725 CA GLY A 49 7.440 5.306 -3.607 1.00 0.00 C ATOM 726 C GLY A 49 6.391 5.540 -4.720 1.00 0.00 C ATOM 727 O GLY A 49 5.356 4.872 -4.761 1.00 0.00 O ATOM 0 H GLY A 49 8.227 3.402 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.913 5.170 -2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.042 6.209 -3.508 1.00 0.00 H new ATOM 731 N LYS A 50 6.684 6.487 -5.624 1.00 0.00 N ATOM 732 CA LYS A 50 5.944 6.618 -6.916 1.00 0.00 C ATOM 733 C LYS A 50 6.448 5.719 -8.096 1.00 0.00 C ATOM 734 O LYS A 50 5.658 5.466 -9.009 1.00 0.00 O ATOM 735 CB LYS A 50 5.935 8.103 -7.374 1.00 0.00 C ATOM 736 CG LYS A 50 4.960 9.040 -6.619 1.00 0.00 C ATOM 737 CD LYS A 50 4.779 10.409 -7.316 1.00 0.00 C ATOM 738 CE LYS A 50 3.856 10.348 -8.553 1.00 0.00 C ATOM 739 NZ LYS A 50 3.880 11.624 -9.307 1.00 0.00 N ATOM 0 H LYS A 50 7.424 7.178 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 50 4.942 6.255 -6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.944 8.501 -7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.689 8.134 -8.435 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.990 8.552 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.329 9.200 -5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.369 11.122 -6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.756 10.787 -7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.171 9.532 -9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.836 10.129 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.109 11.629 -10.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.756 12.419 -8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.792 11.720 -9.798 1.00 0.00 H new ATOM 753 N ASN A 51 7.724 5.296 -8.141 1.00 0.00 N ATOM 754 CA ASN A 51 8.278 4.495 -9.265 1.00 0.00 C ATOM 755 C ASN A 51 8.033 2.967 -9.070 1.00 0.00 C ATOM 756 O ASN A 51 8.187 2.420 -7.975 1.00 0.00 O ATOM 757 CB ASN A 51 9.791 4.812 -9.420 1.00 0.00 C ATOM 758 CG ASN A 51 10.111 6.213 -9.953 1.00 0.00 C ATOM 759 OD1 ASN A 51 10.423 7.140 -9.215 1.00 0.00 O ATOM 760 ND2 ASN A 51 10.027 6.431 -11.243 1.00 0.00 N ATOM 0 H ASN A 51 8.403 5.495 -7.407 1.00 0.00 H new ATOM 0 HA ASN A 51 7.757 4.773 -10.181 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.273 4.691 -8.450 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.234 4.075 -10.090 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.220 7.360 -11.617 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.769 5.671 -11.873 1.00 0.00 H new ATOM 767 N LEU A 52 7.658 2.279 -10.158 1.00 0.00 N ATOM 768 CA LEU A 52 7.390 0.820 -10.150 1.00 0.00 C ATOM 769 C LEU A 52 8.104 0.171 -11.377 1.00 0.00 C ATOM 770 O LEU A 52 7.765 0.424 -12.539 1.00 0.00 O ATOM 771 CB LEU A 52 5.849 0.625 -10.116 1.00 0.00 C ATOM 772 CG LEU A 52 5.339 -0.817 -9.868 1.00 0.00 C ATOM 773 CD1 LEU A 52 5.578 -1.260 -8.416 1.00 0.00 C ATOM 774 CD2 LEU A 52 3.838 -0.900 -10.172 1.00 0.00 C ATOM 0 H LEU A 52 7.530 2.712 -11.073 1.00 0.00 H new ATOM 0 HA LEU A 52 7.794 0.316 -9.272 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.441 1.270 -9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.440 0.973 -11.065 1.00 0.00 H new ATOM 0 HG LEU A 52 5.896 -1.480 -10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.208 -2.276 -8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.646 -1.231 -8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.051 -0.588 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.487 -1.917 -9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.297 -0.211 -9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.662 -0.631 -11.214 1.00 0.00 H new ATOM 786 N THR A 53 9.119 -0.660 -11.106 1.00 0.00 N ATOM 787 CA THR A 53 9.973 -1.284 -12.155 1.00 0.00 C ATOM 788 C THR A 53 9.318 -2.613 -12.639 1.00 0.00 C ATOM 789 O THR A 53 9.122 -3.540 -11.846 1.00 0.00 O ATOM 790 CB THR A 53 11.420 -1.475 -11.603 1.00 0.00 C ATOM 791 OG1 THR A 53 11.963 -0.220 -11.202 1.00 0.00 O ATOM 792 CG2 THR A 53 12.422 -2.043 -12.624 1.00 0.00 C ATOM 0 H THR A 53 9.381 -0.926 -10.157 1.00 0.00 H new ATOM 0 HA THR A 53 10.050 -0.635 -13.027 1.00 0.00 H new ATOM 0 HB THR A 53 11.303 -2.183 -10.782 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.870 -0.352 -10.856 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.401 -2.143 -12.156 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.081 -3.021 -12.963 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.495 -1.368 -13.477 1.00 0.00 H new ATOM 800 N ILE A 54 8.991 -2.689 -13.940 1.00 0.00 N ATOM 801 CA ILE A 54 8.316 -3.869 -14.553 1.00 0.00 C ATOM 802 C ILE A 54 9.354 -4.549 -15.509 1.00 0.00 C ATOM 803 O ILE A 54 9.554 -4.109 -16.647 1.00 0.00 O ATOM 804 CB ILE A 54 6.981 -3.446 -15.267 1.00 0.00 C ATOM 805 CG1 ILE A 54 5.976 -2.608 -14.416 1.00 0.00 C ATOM 806 CG2 ILE A 54 6.247 -4.659 -15.893 1.00 0.00 C ATOM 807 CD1 ILE A 54 5.381 -3.270 -13.167 1.00 0.00 C ATOM 0 H ILE A 54 9.183 -1.940 -14.605 1.00 0.00 H new ATOM 0 HA ILE A 54 8.009 -4.593 -13.798 1.00 0.00 H new ATOM 0 HB ILE A 54 7.332 -2.771 -16.047 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.481 -1.694 -14.104 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.152 -2.312 -15.065 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.330 -4.320 -16.375 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.893 -5.133 -16.633 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.001 -5.378 -15.112 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.702 -2.574 -12.675 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.834 -4.167 -13.456 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.184 -3.540 -12.481 1.00 0.00 H new ATOM 819 N LYS A 55 10.017 -5.619 -15.043 1.00 0.00 N ATOM 820 CA LYS A 55 11.095 -6.308 -15.811 1.00 0.00 C ATOM 821 C LYS A 55 10.627 -7.737 -16.228 1.00 0.00 C ATOM 822 O LYS A 55 10.568 -8.642 -15.395 1.00 0.00 O ATOM 823 CB LYS A 55 12.364 -6.290 -14.917 1.00 0.00 C ATOM 824 CG LYS A 55 13.666 -6.819 -15.563 1.00 0.00 C ATOM 825 CD LYS A 55 14.750 -7.140 -14.510 1.00 0.00 C ATOM 826 CE LYS A 55 16.077 -7.603 -15.143 1.00 0.00 C ATOM 827 NZ LYS A 55 16.818 -8.508 -14.224 1.00 0.00 N ATOM 0 H LYS A 55 9.831 -6.037 -14.131 1.00 0.00 H new ATOM 0 HA LYS A 55 11.328 -5.804 -16.749 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.537 -5.265 -14.589 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.161 -6.880 -14.023 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.445 -7.717 -16.140 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.050 -6.077 -16.263 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.932 -6.255 -13.901 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.381 -7.917 -13.840 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.876 -8.118 -16.082 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.693 -6.736 -15.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.246 -9.283 -14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 17.566 -7.973 -13.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.161 -8.902 -13.521 1.00 0.00 H new ATOM 841 N THR A 56 10.301 -7.947 -17.513 1.00 0.00 N ATOM 842 CA THR A 56 9.833 -9.271 -18.030 1.00 0.00 C ATOM 843 C THR A 56 11.049 -10.086 -18.577 1.00 0.00 C ATOM 844 O THR A 56 11.532 -9.827 -19.683 1.00 0.00 O ATOM 845 CB THR A 56 8.687 -9.031 -19.062 1.00 0.00 C ATOM 846 OG1 THR A 56 7.666 -8.225 -18.479 1.00 0.00 O ATOM 847 CG2 THR A 56 7.984 -10.300 -19.556 1.00 0.00 C ATOM 0 H THR A 56 10.349 -7.221 -18.228 1.00 0.00 H new ATOM 0 HA THR A 56 9.408 -9.887 -17.237 1.00 0.00 H new ATOM 0 HB THR A 56 9.186 -8.560 -19.909 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.952 -8.078 -19.134 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.204 -10.030 -20.268 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.710 -10.952 -20.042 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.537 -10.821 -18.709 1.00 0.00 H new ATOM 855 N GLU A 57 11.541 -11.052 -17.782 1.00 0.00 N ATOM 856 CA GLU A 57 12.697 -11.921 -18.143 1.00 0.00 C ATOM 857 C GLU A 57 12.204 -13.294 -18.692 1.00 0.00 C ATOM 858 O GLU A 57 11.427 -13.997 -18.040 1.00 0.00 O ATOM 859 CB GLU A 57 13.612 -12.102 -16.896 1.00 0.00 C ATOM 860 CG GLU A 57 14.448 -10.848 -16.538 1.00 0.00 C ATOM 861 CD GLU A 57 15.520 -11.022 -15.478 1.00 0.00 C ATOM 862 OE1 GLU A 57 15.211 -11.025 -14.264 1.00 0.00 O ATOM 863 OE2 GLU A 57 16.713 -10.970 -15.829 1.00 0.00 O ATOM 0 H GLU A 57 11.152 -11.261 -16.863 1.00 0.00 H new ATOM 0 HA GLU A 57 13.275 -11.446 -18.935 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.993 -12.369 -16.040 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.288 -12.938 -17.073 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.926 -10.486 -17.449 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.764 -10.067 -16.205 1.00 0.00 H new ATOM 870 N SER A 58 12.651 -13.688 -19.897 1.00 0.00 N ATOM 871 CA SER A 58 12.174 -14.935 -20.556 1.00 0.00 C ATOM 872 C SER A 58 13.315 -15.755 -21.231 1.00 0.00 C ATOM 873 O SER A 58 14.377 -15.238 -21.593 1.00 0.00 O ATOM 874 CB SER A 58 11.093 -14.531 -21.589 1.00 0.00 C ATOM 875 OG SER A 58 10.262 -15.640 -21.927 1.00 0.00 O ATOM 0 H SER A 58 13.340 -13.168 -20.440 1.00 0.00 H new ATOM 0 HA SER A 58 11.763 -15.598 -19.794 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.481 -13.725 -21.183 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.572 -14.145 -22.489 1.00 0.00 H new ATOM 0 HG SER A 58 9.588 -15.357 -22.579 1.00 0.00 H new ATOM 881 N THR A 59 13.033 -17.045 -21.480 1.00 0.00 N ATOM 882 CA THR A 59 13.827 -17.894 -22.424 1.00 0.00 C ATOM 883 C THR A 59 13.871 -17.379 -23.906 1.00 0.00 C ATOM 884 O THR A 59 14.952 -17.316 -24.496 1.00 0.00 O ATOM 885 CB THR A 59 13.332 -19.377 -22.367 1.00 0.00 C ATOM 886 OG1 THR A 59 11.933 -19.470 -22.630 1.00 0.00 O ATOM 887 CG2 THR A 59 13.592 -20.100 -21.036 1.00 0.00 C ATOM 0 H THR A 59 12.255 -17.539 -21.042 1.00 0.00 H new ATOM 0 HA THR A 59 14.857 -17.827 -22.075 1.00 0.00 H new ATOM 0 HB THR A 59 13.924 -19.870 -23.138 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.654 -20.409 -22.589 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.213 -21.120 -21.096 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.663 -20.122 -20.837 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.084 -19.571 -20.229 1.00 0.00 H new ATOM 895 N LEU A 60 12.715 -17.025 -24.497 1.00 0.00 N ATOM 896 CA LEU A 60 12.622 -16.579 -25.918 1.00 0.00 C ATOM 897 C LEU A 60 12.609 -15.029 -26.148 1.00 0.00 C ATOM 898 O LEU A 60 13.201 -14.583 -27.135 1.00 0.00 O ATOM 899 CB LEU A 60 11.402 -17.293 -26.570 1.00 0.00 C ATOM 900 CG LEU A 60 11.566 -18.819 -26.834 1.00 0.00 C ATOM 901 CD1 LEU A 60 10.220 -19.530 -27.040 1.00 0.00 C ATOM 902 CD2 LEU A 60 12.445 -19.081 -28.070 1.00 0.00 C ATOM 0 H LEU A 60 11.817 -17.037 -24.014 1.00 0.00 H new ATOM 0 HA LEU A 60 13.549 -16.873 -26.409 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.534 -17.147 -25.927 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.183 -16.802 -27.518 1.00 0.00 H new ATOM 0 HG LEU A 60 12.043 -19.222 -25.941 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.393 -20.591 -27.220 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.604 -19.409 -26.149 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.706 -19.095 -27.898 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.540 -20.155 -28.228 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.985 -18.625 -28.947 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.433 -18.648 -27.912 1.00 0.00 H new ATOM 914 N LYS A 61 11.937 -14.202 -25.313 1.00 0.00 N ATOM 915 CA LYS A 61 11.901 -12.720 -25.503 1.00 0.00 C ATOM 916 C LYS A 61 11.847 -11.938 -24.148 1.00 0.00 C ATOM 917 O LYS A 61 10.794 -11.833 -23.511 1.00 0.00 O ATOM 918 CB LYS A 61 10.727 -12.365 -26.461 1.00 0.00 C ATOM 919 CG LYS A 61 10.514 -10.871 -26.816 1.00 0.00 C ATOM 920 CD LYS A 61 11.732 -10.168 -27.456 1.00 0.00 C ATOM 921 CE LYS A 61 11.404 -8.724 -27.867 1.00 0.00 C ATOM 922 NZ LYS A 61 12.605 -8.052 -28.428 1.00 0.00 N ATOM 0 H LYS A 61 11.412 -14.528 -24.502 1.00 0.00 H new ATOM 0 HA LYS A 61 12.835 -12.398 -25.964 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.876 -12.913 -27.391 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.805 -12.739 -26.015 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.669 -10.793 -27.500 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.240 -10.334 -25.908 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.563 -10.166 -26.751 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.058 -10.730 -28.331 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.603 -8.724 -28.606 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.041 -8.168 -27.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.363 -7.078 -28.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.359 -8.034 -27.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.935 -8.573 -29.266 1.00 0.00 H new ATOM 936 N THR A 62 12.979 -11.329 -23.756 1.00 0.00 N ATOM 937 CA THR A 62 13.059 -10.402 -22.584 1.00 0.00 C ATOM 938 C THR A 62 12.691 -8.927 -22.988 1.00 0.00 C ATOM 939 O THR A 62 13.012 -8.453 -24.086 1.00 0.00 O ATOM 940 CB THR A 62 14.483 -10.558 -21.955 1.00 0.00 C ATOM 941 OG1 THR A 62 14.604 -11.857 -21.380 1.00 0.00 O ATOM 942 CG2 THR A 62 14.852 -9.580 -20.826 1.00 0.00 C ATOM 0 H THR A 62 13.871 -11.457 -24.234 1.00 0.00 H new ATOM 0 HA THR A 62 12.320 -10.661 -21.826 1.00 0.00 H new ATOM 0 HB THR A 62 15.151 -10.358 -22.793 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.496 -11.959 -20.986 1.00 0.00 H new ATOM 0 HG21 THR A 62 15.862 -9.792 -20.476 1.00 0.00 H new ATOM 0 HG22 THR A 62 14.805 -8.557 -21.201 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.150 -9.696 -20.000 1.00 0.00 H new ATOM 950 N THR A 63 11.987 -8.186 -22.108 1.00 0.00 N ATOM 951 CA THR A 63 11.654 -6.733 -22.314 1.00 0.00 C ATOM 952 C THR A 63 11.351 -6.054 -20.930 1.00 0.00 C ATOM 953 O THR A 63 10.754 -6.664 -20.039 1.00 0.00 O ATOM 954 CB THR A 63 10.496 -6.558 -23.355 1.00 0.00 C ATOM 955 OG1 THR A 63 10.873 -7.138 -24.602 1.00 0.00 O ATOM 956 CG2 THR A 63 10.112 -5.106 -23.688 1.00 0.00 C ATOM 0 H THR A 63 11.627 -8.563 -21.231 1.00 0.00 H new ATOM 0 HA THR A 63 12.516 -6.222 -22.743 1.00 0.00 H new ATOM 0 HB THR A 63 9.645 -7.039 -22.873 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.835 -7.323 -24.599 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.302 -5.102 -24.417 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.786 -4.599 -22.780 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.976 -4.587 -24.103 1.00 0.00 H new ATOM 964 N GLN A 64 11.757 -4.783 -20.730 1.00 0.00 N ATOM 965 CA GLN A 64 11.544 -4.051 -19.440 1.00 0.00 C ATOM 966 C GLN A 64 11.008 -2.592 -19.611 1.00 0.00 C ATOM 967 O GLN A 64 11.247 -1.934 -20.628 1.00 0.00 O ATOM 968 CB GLN A 64 12.831 -4.150 -18.561 1.00 0.00 C ATOM 969 CG GLN A 64 14.150 -3.477 -19.043 1.00 0.00 C ATOM 970 CD GLN A 64 14.229 -1.944 -19.008 1.00 0.00 C ATOM 971 OE1 GLN A 64 14.312 -1.276 -20.031 1.00 0.00 O ATOM 972 NE2 GLN A 64 14.243 -1.332 -17.847 1.00 0.00 N ATOM 0 H GLN A 64 12.237 -4.231 -21.441 1.00 0.00 H new ATOM 0 HA GLN A 64 10.732 -4.548 -18.909 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.590 -3.731 -17.584 1.00 0.00 H new ATOM 0 HB3 GLN A 64 13.042 -5.209 -18.411 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.966 -3.868 -18.435 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.334 -3.798 -20.068 1.00 0.00 H new ATOM 0 HE21 GLN A 64 14.175 -1.873 -16.985 1.00 0.00 H new ATOM 0 HE22 GLN A 64 14.322 -0.316 -17.807 1.00 0.00 H new ATOM 981 N PHE A 65 10.316 -2.072 -18.578 1.00 0.00 N ATOM 982 CA PHE A 65 9.917 -0.636 -18.500 1.00 0.00 C ATOM 983 C PHE A 65 9.817 -0.140 -17.016 1.00 0.00 C ATOM 984 O PHE A 65 9.332 -0.850 -16.128 1.00 0.00 O ATOM 985 CB PHE A 65 8.632 -0.336 -19.333 1.00 0.00 C ATOM 986 CG PHE A 65 7.301 -0.954 -18.863 1.00 0.00 C ATOM 987 CD1 PHE A 65 6.491 -0.270 -17.950 1.00 0.00 C ATOM 988 CD2 PHE A 65 6.870 -2.183 -19.374 1.00 0.00 C ATOM 989 CE1 PHE A 65 5.265 -0.802 -17.561 1.00 0.00 C ATOM 990 CE2 PHE A 65 5.643 -2.714 -18.982 1.00 0.00 C ATOM 991 CZ PHE A 65 4.842 -2.022 -18.077 1.00 0.00 C ATOM 0 H PHE A 65 10.015 -2.624 -17.775 1.00 0.00 H new ATOM 0 HA PHE A 65 10.713 -0.053 -18.963 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.503 0.746 -19.369 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.812 -0.670 -20.355 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.819 0.676 -17.545 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.490 -2.722 -20.075 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.643 -0.267 -16.859 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.313 -3.662 -19.380 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.890 -2.434 -17.775 1.00 0.00 H new ATOM 1001 N SER A 66 10.237 1.109 -16.756 1.00 0.00 N ATOM 1002 CA SER A 66 10.067 1.767 -15.430 1.00 0.00 C ATOM 1003 C SER A 66 8.850 2.740 -15.443 1.00 0.00 C ATOM 1004 O SER A 66 8.942 3.831 -16.020 1.00 0.00 O ATOM 1005 CB SER A 66 11.385 2.495 -15.070 1.00 0.00 C ATOM 1006 OG SER A 66 11.634 3.600 -15.943 1.00 0.00 O ATOM 0 H SER A 66 10.702 1.696 -17.448 1.00 0.00 H new ATOM 0 HA SER A 66 9.856 1.018 -14.667 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.336 2.849 -14.040 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.216 1.792 -15.126 1.00 0.00 H new ATOM 0 HG SER A 66 10.782 3.995 -16.221 1.00 0.00 H new ATOM 1012 N CYS A 67 7.729 2.351 -14.814 1.00 0.00 N ATOM 1013 CA CYS A 67 6.512 3.202 -14.749 1.00 0.00 C ATOM 1014 C CYS A 67 6.420 4.086 -13.464 1.00 0.00 C ATOM 1015 O CYS A 67 7.125 3.877 -12.471 1.00 0.00 O ATOM 1016 CB CYS A 67 5.304 2.261 -14.942 1.00 0.00 C ATOM 1017 SG CYS A 67 5.024 1.134 -13.543 1.00 0.00 S ATOM 0 H CYS A 67 7.632 1.453 -14.340 1.00 0.00 H new ATOM 0 HA CYS A 67 6.540 3.950 -15.542 1.00 0.00 H new ATOM 0 HB2 CYS A 67 4.408 2.862 -15.098 1.00 0.00 H new ATOM 0 HB3 CYS A 67 5.454 1.672 -15.847 1.00 0.00 H new ATOM 0 HG CYS A 67 6.166 0.804 -13.017 1.00 0.00 H new ATOM 1023 N THR A 68 5.533 5.092 -13.497 1.00 0.00 N ATOM 1024 CA THR A 68 5.334 6.056 -12.374 1.00 0.00 C ATOM 1025 C THR A 68 3.806 6.147 -12.072 1.00 0.00 C ATOM 1026 O THR A 68 3.008 6.392 -12.983 1.00 0.00 O ATOM 1027 CB THR A 68 5.969 7.429 -12.754 1.00 0.00 C ATOM 1028 OG1 THR A 68 7.363 7.285 -13.003 1.00 0.00 O ATOM 1029 CG2 THR A 68 5.871 8.506 -11.666 1.00 0.00 C ATOM 0 H THR A 68 4.927 5.271 -14.298 1.00 0.00 H new ATOM 0 HA THR A 68 5.832 5.723 -11.463 1.00 0.00 H new ATOM 0 HB THR A 68 5.398 7.743 -13.628 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.744 8.156 -13.241 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.339 9.425 -12.020 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.823 8.698 -11.437 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.382 8.162 -10.767 1.00 0.00 H new ATOM 1037 N LEU A 69 3.387 5.977 -10.799 1.00 0.00 N ATOM 1038 CA LEU A 69 1.942 6.042 -10.429 1.00 0.00 C ATOM 1039 C LEU A 69 1.401 7.508 -10.439 1.00 0.00 C ATOM 1040 O LEU A 69 1.799 8.336 -9.616 1.00 0.00 O ATOM 1041 CB LEU A 69 1.627 5.347 -9.075 1.00 0.00 C ATOM 1042 CG LEU A 69 1.815 3.811 -8.910 1.00 0.00 C ATOM 1043 CD1 LEU A 69 1.666 2.968 -10.189 1.00 0.00 C ATOM 1044 CD2 LEU A 69 3.150 3.457 -8.260 1.00 0.00 C ATOM 0 H LEU A 69 4.013 5.796 -10.015 1.00 0.00 H new ATOM 0 HA LEU A 69 1.417 5.481 -11.202 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.243 5.829 -8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.588 5.571 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 69 0.980 3.548 -8.260 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.818 1.915 -9.951 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.667 3.106 -10.601 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.408 3.285 -10.922 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.234 2.374 -8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.966 3.832 -8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.205 3.912 -7.271 1.00 0.00 H new ATOM 1056 N GLY A 70 0.512 7.816 -11.395 1.00 0.00 N ATOM 1057 CA GLY A 70 0.201 9.220 -11.776 1.00 0.00 C ATOM 1058 C GLY A 70 0.448 9.521 -13.268 1.00 0.00 C ATOM 1059 O GLY A 70 -0.481 9.901 -13.983 1.00 0.00 O ATOM 0 H GLY A 70 -0.010 7.117 -11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.842 9.430 -11.539 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.807 9.895 -11.172 1.00 0.00 H new ATOM 1063 N GLU A 71 1.707 9.395 -13.710 1.00 0.00 N ATOM 1064 CA GLU A 71 2.179 9.957 -14.996 1.00 0.00 C ATOM 1065 C GLU A 71 2.025 9.000 -16.233 1.00 0.00 C ATOM 1066 O GLU A 71 1.833 7.775 -16.146 1.00 0.00 O ATOM 1067 CB GLU A 71 3.648 10.447 -14.777 1.00 0.00 C ATOM 1068 CG GLU A 71 3.840 11.755 -13.953 1.00 0.00 C ATOM 1069 CD GLU A 71 3.916 11.623 -12.437 1.00 0.00 C ATOM 1070 OE1 GLU A 71 2.870 11.504 -11.760 1.00 0.00 O ATOM 1071 OE2 GLU A 71 5.033 11.682 -11.883 1.00 0.00 O ATOM 0 H GLU A 71 2.432 8.901 -13.190 1.00 0.00 H new ATOM 0 HA GLU A 71 1.533 10.791 -15.270 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.201 9.649 -14.281 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.106 10.592 -15.755 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.755 12.238 -14.296 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.016 12.428 -14.192 1.00 0.00 H new ATOM 1078 N LYS A 72 2.097 9.657 -17.407 1.00 0.00 N ATOM 1079 CA LYS A 72 2.004 9.015 -18.745 1.00 0.00 C ATOM 1080 C LYS A 72 3.398 8.974 -19.457 1.00 0.00 C ATOM 1081 O LYS A 72 4.120 9.975 -19.497 1.00 0.00 O ATOM 1082 CB LYS A 72 0.927 9.785 -19.557 1.00 0.00 C ATOM 1083 CG LYS A 72 0.374 9.023 -20.785 1.00 0.00 C ATOM 1084 CD LYS A 72 -0.730 9.812 -21.532 1.00 0.00 C ATOM 1085 CE LYS A 72 -1.853 8.906 -22.069 1.00 0.00 C ATOM 1086 NZ LYS A 72 -2.878 9.706 -22.788 1.00 0.00 N ATOM 0 H LYS A 72 2.224 10.668 -17.459 1.00 0.00 H new ATOM 0 HA LYS A 72 1.704 7.971 -18.655 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.097 10.028 -18.894 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.353 10.730 -19.895 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.192 8.810 -21.474 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.028 8.063 -20.461 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.159 10.554 -20.858 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.281 10.357 -22.362 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.433 8.157 -22.741 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.319 8.368 -21.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.820 9.301 -22.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.855 10.688 -22.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.678 9.690 -23.808 1.00 0.00 H new ATOM 1100 N PHE A 73 3.767 7.808 -20.013 1.00 0.00 N ATOM 1101 CA PHE A 73 5.146 7.546 -20.534 1.00 0.00 C ATOM 1102 C PHE A 73 5.149 6.673 -21.837 1.00 0.00 C ATOM 1103 O PHE A 73 4.212 5.908 -22.093 1.00 0.00 O ATOM 1104 CB PHE A 73 6.009 6.921 -19.382 1.00 0.00 C ATOM 1105 CG PHE A 73 5.611 5.511 -18.888 1.00 0.00 C ATOM 1106 CD1 PHE A 73 4.587 5.360 -17.947 1.00 0.00 C ATOM 1107 CD2 PHE A 73 6.180 4.372 -19.468 1.00 0.00 C ATOM 1108 CE1 PHE A 73 4.087 4.096 -17.653 1.00 0.00 C ATOM 1109 CE2 PHE A 73 5.691 3.106 -19.160 1.00 0.00 C ATOM 1110 CZ PHE A 73 4.633 2.970 -18.265 1.00 0.00 C ATOM 0 H PHE A 73 3.133 7.017 -20.120 1.00 0.00 H new ATOM 0 HA PHE A 73 5.594 8.492 -20.839 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.045 6.881 -19.719 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.977 7.599 -18.529 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.183 6.228 -17.447 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.004 4.476 -20.159 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.275 3.987 -16.950 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.131 2.231 -19.614 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.235 1.990 -18.045 1.00 0.00 H new ATOM 1120 N GLU A 74 6.255 6.708 -22.612 1.00 0.00 N ATOM 1121 CA GLU A 74 6.490 5.734 -23.717 1.00 0.00 C ATOM 1122 C GLU A 74 6.812 4.299 -23.190 1.00 0.00 C ATOM 1123 O GLU A 74 7.872 4.039 -22.608 1.00 0.00 O ATOM 1124 CB GLU A 74 7.633 6.201 -24.665 1.00 0.00 C ATOM 1125 CG GLU A 74 7.214 7.176 -25.787 1.00 0.00 C ATOM 1126 CD GLU A 74 7.261 8.649 -25.417 1.00 0.00 C ATOM 1127 OE1 GLU A 74 6.269 9.160 -24.856 1.00 0.00 O ATOM 1128 OE2 GLU A 74 8.283 9.304 -25.706 1.00 0.00 O ATOM 0 H GLU A 74 7.000 7.395 -22.499 1.00 0.00 H new ATOM 0 HA GLU A 74 5.556 5.693 -24.277 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.407 6.678 -24.064 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.083 5.320 -25.123 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.862 7.014 -26.648 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.200 6.929 -26.101 1.00 0.00 H new ATOM 1135 N GLU A 75 5.895 3.365 -23.460 1.00 0.00 N ATOM 1136 CA GLU A 75 6.087 1.929 -23.153 1.00 0.00 C ATOM 1137 C GLU A 75 6.457 1.184 -24.472 1.00 0.00 C ATOM 1138 O GLU A 75 5.574 0.799 -25.248 1.00 0.00 O ATOM 1139 CB GLU A 75 4.783 1.418 -22.488 1.00 0.00 C ATOM 1140 CG GLU A 75 4.890 -0.021 -21.929 1.00 0.00 C ATOM 1141 CD GLU A 75 3.583 -0.701 -21.561 1.00 0.00 C ATOM 1142 OE1 GLU A 75 2.660 -0.048 -21.017 1.00 0.00 O ATOM 1143 OE2 GLU A 75 3.472 -1.921 -21.801 1.00 0.00 O ATOM 0 H GLU A 75 4.997 3.574 -23.897 1.00 0.00 H new ATOM 0 HA GLU A 75 6.906 1.748 -22.456 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.511 2.094 -21.677 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.975 1.455 -23.219 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.400 -0.638 -22.669 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.524 0.003 -21.043 1.00 0.00 H new ATOM 1150 N THR A 76 7.764 0.978 -24.733 1.00 0.00 N ATOM 1151 CA THR A 76 8.235 0.298 -25.980 1.00 0.00 C ATOM 1152 C THR A 76 8.027 -1.248 -25.871 1.00 0.00 C ATOM 1153 O THR A 76 8.874 -1.995 -25.371 1.00 0.00 O ATOM 1154 CB THR A 76 9.684 0.721 -26.373 1.00 0.00 C ATOM 1155 OG1 THR A 76 9.825 2.140 -26.348 1.00 0.00 O ATOM 1156 CG2 THR A 76 10.071 0.300 -27.804 1.00 0.00 C ATOM 0 H THR A 76 8.516 1.267 -24.108 1.00 0.00 H new ATOM 0 HA THR A 76 7.619 0.635 -26.814 1.00 0.00 H new ATOM 0 HB THR A 76 10.324 0.223 -25.645 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.742 2.382 -26.596 1.00 0.00 H new ATOM 0 HG21 THR A 76 11.090 0.624 -28.015 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.009 -0.785 -27.894 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.388 0.763 -28.517 1.00 0.00 H new ATOM 1164 N THR A 77 6.860 -1.700 -26.353 1.00 0.00 N ATOM 1165 CA THR A 77 6.413 -3.119 -26.268 1.00 0.00 C ATOM 1166 C THR A 77 7.276 -4.093 -27.138 1.00 0.00 C ATOM 1167 O THR A 77 7.777 -3.720 -28.203 1.00 0.00 O ATOM 1168 CB THR A 77 4.894 -3.225 -26.633 1.00 0.00 C ATOM 1169 OG1 THR A 77 4.635 -2.739 -27.948 1.00 0.00 O ATOM 1170 CG2 THR A 77 3.932 -2.491 -25.679 1.00 0.00 C ATOM 0 H THR A 77 6.185 -1.093 -26.819 1.00 0.00 H new ATOM 0 HA THR A 77 6.558 -3.439 -25.236 1.00 0.00 H new ATOM 0 HB THR A 77 4.696 -4.293 -26.548 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.740 -1.765 -27.963 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.906 -2.627 -26.021 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.036 -2.898 -24.673 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.172 -1.428 -25.667 1.00 0.00 H new ATOM 1178 N ALA A 78 7.426 -5.354 -26.681 1.00 0.00 N ATOM 1179 CA ALA A 78 8.314 -6.375 -27.321 1.00 0.00 C ATOM 1180 C ALA A 78 8.302 -6.557 -28.880 1.00 0.00 C ATOM 1181 O ALA A 78 9.359 -6.752 -29.485 1.00 0.00 O ATOM 1182 CB ALA A 78 8.002 -7.709 -26.608 1.00 0.00 C ATOM 0 H ALA A 78 6.938 -5.704 -25.856 1.00 0.00 H new ATOM 0 HA ALA A 78 9.329 -5.999 -27.190 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.621 -8.501 -27.031 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.215 -7.611 -25.544 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.950 -7.958 -26.746 1.00 0.00 H new ATOM 1188 N ASP A 79 7.116 -6.484 -29.499 1.00 0.00 N ATOM 1189 CA ASP A 79 6.941 -6.460 -30.977 1.00 0.00 C ATOM 1190 C ASP A 79 7.274 -5.104 -31.706 1.00 0.00 C ATOM 1191 O ASP A 79 7.758 -5.155 -32.840 1.00 0.00 O ATOM 1192 CB ASP A 79 5.495 -6.991 -31.165 1.00 0.00 C ATOM 1193 CG ASP A 79 4.943 -7.070 -32.583 1.00 0.00 C ATOM 1194 OD1 ASP A 79 5.169 -8.074 -33.287 1.00 0.00 O ATOM 1195 OD2 ASP A 79 4.165 -6.165 -32.954 1.00 0.00 O ATOM 0 H ASP A 79 6.233 -6.439 -28.990 1.00 0.00 H new ATOM 0 HA ASP A 79 7.683 -7.079 -31.481 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.447 -7.990 -30.731 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.828 -6.357 -30.581 1.00 0.00 H new ATOM 1200 N GLY A 80 7.029 -3.918 -31.108 1.00 0.00 N ATOM 1201 CA GLY A 80 7.358 -2.618 -31.770 1.00 0.00 C ATOM 1202 C GLY A 80 6.583 -1.340 -31.370 1.00 0.00 C ATOM 1203 O GLY A 80 7.114 -0.243 -31.566 1.00 0.00 O ATOM 0 H GLY A 80 6.611 -3.824 -30.182 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.417 -2.424 -31.600 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.228 -2.756 -32.843 1.00 0.00 H new ATOM 1207 N ARG A 81 5.342 -1.435 -30.859 1.00 0.00 N ATOM 1208 CA ARG A 81 4.525 -0.242 -30.485 1.00 0.00 C ATOM 1209 C ARG A 81 5.053 0.448 -29.188 1.00 0.00 C ATOM 1210 O ARG A 81 5.061 -0.162 -28.113 1.00 0.00 O ATOM 1211 CB ARG A 81 3.036 -0.654 -30.302 1.00 0.00 C ATOM 1212 CG ARG A 81 2.265 -0.983 -31.607 1.00 0.00 C ATOM 1213 CD ARG A 81 1.028 -1.895 -31.409 1.00 0.00 C ATOM 1214 NE ARG A 81 1.373 -3.274 -30.958 1.00 0.00 N ATOM 1215 CZ ARG A 81 2.010 -4.188 -31.687 1.00 0.00 C ATOM 1216 NH1 ARG A 81 2.312 -4.053 -32.950 1.00 0.00 N ATOM 1217 NH2 ARG A 81 2.391 -5.280 -31.116 1.00 0.00 N ATOM 0 H ARG A 81 4.872 -2.325 -30.691 1.00 0.00 H new ATOM 0 HA ARG A 81 4.609 0.481 -31.297 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.997 -1.526 -29.649 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.515 0.154 -29.788 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.943 -0.050 -32.069 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.948 -1.465 -32.306 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.362 -1.438 -30.677 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.477 -1.955 -32.347 1.00 0.00 H new ATOM 0 HE ARG A 81 1.098 -3.539 -30.012 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.057 -3.199 -33.447 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.803 -4.801 -33.440 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.203 -5.430 -30.125 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.881 -5.994 -31.656 1.00 0.00 H new ATOM 1231 N LYS A 82 5.446 1.730 -29.305 1.00 0.00 N ATOM 1232 CA LYS A 82 5.716 2.604 -28.128 1.00 0.00 C ATOM 1233 C LYS A 82 4.406 3.347 -27.747 1.00 0.00 C ATOM 1234 O LYS A 82 4.051 4.374 -28.334 1.00 0.00 O ATOM 1235 CB LYS A 82 6.969 3.521 -28.261 1.00 0.00 C ATOM 1236 CG LYS A 82 7.263 4.267 -29.587 1.00 0.00 C ATOM 1237 CD LYS A 82 8.033 3.397 -30.614 1.00 0.00 C ATOM 1238 CE LYS A 82 8.610 4.151 -31.824 1.00 0.00 C ATOM 1239 NZ LYS A 82 7.536 4.621 -32.744 1.00 0.00 N ATOM 0 H LYS A 82 5.587 2.193 -30.203 1.00 0.00 H new ATOM 0 HA LYS A 82 6.008 1.967 -27.293 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.900 4.275 -27.477 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.842 2.907 -28.037 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.322 4.594 -30.030 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.843 5.164 -29.372 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.851 2.896 -30.097 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.362 2.619 -30.979 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.191 5.005 -31.477 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.294 3.499 -32.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.963 5.125 -33.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.997 3.804 -33.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.897 5.263 -32.233 1.00 0.00 H new ATOM 1253 N THR A 83 3.668 2.763 -26.793 1.00 0.00 N ATOM 1254 CA THR A 83 2.314 3.239 -26.399 1.00 0.00 C ATOM 1255 C THR A 83 2.403 4.340 -25.299 1.00 0.00 C ATOM 1256 O THR A 83 3.322 4.346 -24.472 1.00 0.00 O ATOM 1257 CB THR A 83 1.415 2.033 -25.969 1.00 0.00 C ATOM 1258 OG1 THR A 83 1.923 1.389 -24.805 1.00 0.00 O ATOM 1259 CG2 THR A 83 1.231 0.930 -27.026 1.00 0.00 C ATOM 0 H THR A 83 3.983 1.948 -26.267 1.00 0.00 H new ATOM 0 HA THR A 83 1.840 3.703 -27.264 1.00 0.00 H new ATOM 0 HB THR A 83 0.449 2.507 -25.797 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.303 0.683 -24.525 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.592 0.144 -26.624 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.768 1.354 -27.917 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.202 0.510 -27.286 1.00 0.00 H new ATOM 1267 N GLN A 84 1.440 5.279 -25.274 1.00 0.00 N ATOM 1268 CA GLN A 84 1.347 6.286 -24.181 1.00 0.00 C ATOM 1269 C GLN A 84 0.622 5.658 -22.952 1.00 0.00 C ATOM 1270 O GLN A 84 -0.602 5.745 -22.811 1.00 0.00 O ATOM 1271 CB GLN A 84 0.647 7.575 -24.699 1.00 0.00 C ATOM 1272 CG GLN A 84 1.343 8.376 -25.829 1.00 0.00 C ATOM 1273 CD GLN A 84 2.683 9.002 -25.434 1.00 0.00 C ATOM 1274 OE1 GLN A 84 2.743 10.077 -24.847 1.00 0.00 O ATOM 1275 NE2 GLN A 84 3.774 8.339 -25.730 1.00 0.00 N ATOM 0 H GLN A 84 0.717 5.368 -25.988 1.00 0.00 H new ATOM 0 HA GLN A 84 2.345 6.579 -23.855 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.347 7.297 -25.050 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.510 8.245 -23.850 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.503 7.714 -26.680 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.671 9.167 -26.162 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.711 7.446 -26.218 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.686 8.716 -25.472 1.00 0.00 H new ATOM 1284 N THR A 85 1.391 4.993 -22.076 1.00 0.00 N ATOM 1285 CA THR A 85 0.833 4.271 -20.906 1.00 0.00 C ATOM 1286 C THR A 85 0.738 5.244 -19.697 1.00 0.00 C ATOM 1287 O THR A 85 1.766 5.702 -19.193 1.00 0.00 O ATOM 1288 CB THR A 85 1.674 3.003 -20.571 1.00 0.00 C ATOM 1289 OG1 THR A 85 1.780 2.128 -21.690 1.00 0.00 O ATOM 1290 CG2 THR A 85 1.064 2.151 -19.450 1.00 0.00 C ATOM 0 H THR A 85 2.407 4.936 -22.151 1.00 0.00 H new ATOM 0 HA THR A 85 -0.171 3.920 -21.146 1.00 0.00 H new ATOM 0 HB THR A 85 2.642 3.402 -20.268 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.870 1.204 -21.376 1.00 0.00 H new ATOM 0 HG21 THR A 85 1.698 1.284 -19.266 1.00 0.00 H new ATOM 0 HG22 THR A 85 0.990 2.746 -18.540 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.070 1.817 -19.747 1.00 0.00 H new ATOM 1298 N VAL A 86 -0.480 5.513 -19.193 1.00 0.00 N ATOM 1299 CA VAL A 86 -0.660 6.095 -17.828 1.00 0.00 C ATOM 1300 C VAL A 86 -0.760 4.938 -16.779 1.00 0.00 C ATOM 1301 O VAL A 86 -1.655 4.085 -16.854 1.00 0.00 O ATOM 1302 CB VAL A 86 -1.771 7.198 -17.785 1.00 0.00 C ATOM 1303 CG1 VAL A 86 -3.206 6.743 -18.106 1.00 0.00 C ATOM 1304 CG2 VAL A 86 -1.791 7.962 -16.442 1.00 0.00 C ATOM 0 H VAL A 86 -1.352 5.343 -19.695 1.00 0.00 H new ATOM 0 HA VAL A 86 0.221 6.668 -17.537 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.466 7.851 -18.603 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.881 7.597 -18.043 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.239 6.328 -19.113 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.515 5.982 -17.389 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.579 8.715 -16.464 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.980 7.262 -15.628 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.828 8.448 -16.286 1.00 0.00 H new ATOM 1314 N CYS A 87 0.197 4.896 -15.828 1.00 0.00 N ATOM 1315 CA CYS A 87 0.176 3.891 -14.725 1.00 0.00 C ATOM 1316 C CYS A 87 -0.466 4.471 -13.432 1.00 0.00 C ATOM 1317 O CYS A 87 -0.144 5.585 -13.011 1.00 0.00 O ATOM 1318 CB CYS A 87 1.609 3.371 -14.464 1.00 0.00 C ATOM 1319 SG CYS A 87 1.900 1.830 -15.401 1.00 0.00 S ATOM 0 H CYS A 87 0.990 5.537 -15.795 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.448 3.052 -15.033 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.337 4.127 -14.758 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.750 3.190 -13.398 1.00 0.00 H new ATOM 0 HG CYS A 87 2.900 1.186 -14.877 1.00 0.00 H new ATOM 1325 N ASN A 88 -1.352 3.696 -12.781 1.00 0.00 N ATOM 1326 CA ASN A 88 -1.996 4.112 -11.503 1.00 0.00 C ATOM 1327 C ASN A 88 -2.272 2.853 -10.621 1.00 0.00 C ATOM 1328 O ASN A 88 -3.013 1.953 -11.032 1.00 0.00 O ATOM 1329 CB ASN A 88 -3.340 4.869 -11.763 1.00 0.00 C ATOM 1330 CG ASN A 88 -3.332 6.099 -12.683 1.00 0.00 C ATOM 1331 OD1 ASN A 88 -3.736 6.044 -13.839 1.00 0.00 O ATOM 1332 ND2 ASN A 88 -2.883 7.239 -12.222 1.00 0.00 N ATOM 0 H ASN A 88 -1.644 2.776 -13.112 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.316 4.789 -10.986 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.048 4.151 -12.178 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.734 5.183 -10.796 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.873 8.064 -12.822 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.543 7.303 -11.262 1.00 0.00 H new ATOM 1339 N PHE A 89 -1.726 2.791 -9.389 1.00 0.00 N ATOM 1340 CA PHE A 89 -2.125 1.750 -8.400 1.00 0.00 C ATOM 1341 C PHE A 89 -3.427 2.165 -7.632 1.00 0.00 C ATOM 1342 O PHE A 89 -3.474 3.208 -6.972 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.925 1.429 -7.463 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.180 0.228 -6.531 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -1.035 -1.081 -7.004 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -1.699 0.439 -5.248 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -1.442 -2.158 -6.220 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -2.106 -0.640 -4.467 1.00 0.00 C ATOM 1349 CZ PHE A 89 -1.988 -1.934 -4.961 1.00 0.00 C ATOM 0 H PHE A 89 -1.014 3.439 -9.051 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.379 0.828 -8.922 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.043 1.227 -8.071 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.701 2.308 -6.858 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.606 -1.257 -7.980 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.784 1.444 -4.862 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.333 -3.167 -6.590 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.512 -0.472 -3.480 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.322 -2.770 -4.364 1.00 0.00 H new ATOM 1359 N THR A 90 -4.455 1.306 -7.697 1.00 0.00 N ATOM 1360 CA THR A 90 -5.715 1.457 -6.918 1.00 0.00 C ATOM 1361 C THR A 90 -6.060 0.081 -6.275 1.00 0.00 C ATOM 1362 O THR A 90 -6.461 -0.872 -6.951 1.00 0.00 O ATOM 1363 CB THR A 90 -6.869 2.083 -7.767 1.00 0.00 C ATOM 1364 OG1 THR A 90 -8.107 2.164 -7.048 1.00 0.00 O ATOM 1365 CG2 THR A 90 -7.210 1.397 -9.103 1.00 0.00 C ATOM 0 H THR A 90 -4.446 0.478 -8.293 1.00 0.00 H new ATOM 0 HA THR A 90 -5.575 2.178 -6.112 1.00 0.00 H new ATOM 0 HB THR A 90 -6.440 3.061 -7.986 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.937 2.491 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.026 1.932 -9.589 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.334 1.406 -9.751 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.512 0.366 -8.916 1.00 0.00 H new ATOM 1373 N ASP A 91 -5.936 -0.001 -4.937 1.00 0.00 N ATOM 1374 CA ASP A 91 -6.802 -0.893 -4.100 1.00 0.00 C ATOM 1375 C ASP A 91 -6.645 -2.431 -4.383 1.00 0.00 C ATOM 1376 O ASP A 91 -7.596 -3.132 -4.747 1.00 0.00 O ATOM 1377 CB ASP A 91 -8.276 -0.371 -4.106 1.00 0.00 C ATOM 1378 CG ASP A 91 -8.474 1.117 -3.778 1.00 0.00 C ATOM 1379 OD1 ASP A 91 -8.149 1.967 -4.644 1.00 0.00 O ATOM 1380 OD2 ASP A 91 -8.922 1.437 -2.659 1.00 0.00 O ATOM 0 H ASP A 91 -5.251 0.532 -4.402 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.436 -0.825 -3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.703 -0.564 -5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.850 -0.958 -3.389 1.00 0.00 H new ATOM 1385 N GLY A 92 -5.403 -2.937 -4.270 1.00 0.00 N ATOM 1386 CA GLY A 92 -5.035 -4.268 -4.834 1.00 0.00 C ATOM 1387 C GLY A 92 -4.491 -4.331 -6.287 1.00 0.00 C ATOM 1388 O GLY A 92 -3.797 -5.300 -6.605 1.00 0.00 O ATOM 0 H GLY A 92 -4.637 -2.456 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.284 -4.710 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.917 -4.906 -4.782 1.00 0.00 H new ATOM 1392 N ALA A 93 -4.827 -3.373 -7.172 1.00 0.00 N ATOM 1393 CA ALA A 93 -4.585 -3.477 -8.630 1.00 0.00 C ATOM 1394 C ALA A 93 -3.663 -2.363 -9.208 1.00 0.00 C ATOM 1395 O ALA A 93 -3.884 -1.170 -8.980 1.00 0.00 O ATOM 1396 CB ALA A 93 -5.979 -3.399 -9.287 1.00 0.00 C ATOM 0 H ALA A 93 -5.276 -2.499 -6.898 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.057 -4.407 -8.838 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.875 -3.470 -10.370 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.597 -4.221 -8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.450 -2.451 -9.029 1.00 0.00 H new ATOM 1402 N LEU A 94 -2.694 -2.744 -10.062 1.00 0.00 N ATOM 1403 CA LEU A 94 -2.074 -1.791 -11.026 1.00 0.00 C ATOM 1404 C LEU A 94 -2.971 -1.649 -12.296 1.00 0.00 C ATOM 1405 O LEU A 94 -3.090 -2.590 -13.088 1.00 0.00 O ATOM 1406 CB LEU A 94 -0.636 -2.260 -11.385 1.00 0.00 C ATOM 1407 CG LEU A 94 0.177 -1.335 -12.336 1.00 0.00 C ATOM 1408 CD1 LEU A 94 0.549 -0.007 -11.662 1.00 0.00 C ATOM 1409 CD2 LEU A 94 1.448 -2.041 -12.835 1.00 0.00 C ATOM 0 H LEU A 94 -2.321 -3.692 -10.111 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.998 -0.806 -10.565 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.074 -2.376 -10.459 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.703 -3.247 -11.843 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.465 -1.113 -13.188 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.116 0.609 -12.360 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.359 0.519 -11.369 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.155 -0.205 -10.778 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.999 -1.374 -13.498 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.075 -2.306 -11.984 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.173 -2.945 -13.378 1.00 0.00 H new ATOM 1421 N VAL A 95 -3.546 -0.454 -12.509 1.00 0.00 N ATOM 1422 CA VAL A 95 -4.237 -0.101 -13.783 1.00 0.00 C ATOM 1423 C VAL A 95 -3.165 0.505 -14.752 1.00 0.00 C ATOM 1424 O VAL A 95 -2.695 1.637 -14.585 1.00 0.00 O ATOM 1425 CB VAL A 95 -5.469 0.833 -13.516 1.00 0.00 C ATOM 1426 CG1 VAL A 95 -6.163 1.325 -14.810 1.00 0.00 C ATOM 1427 CG2 VAL A 95 -6.563 0.156 -12.654 1.00 0.00 C ATOM 0 H VAL A 95 -3.551 0.295 -11.817 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.665 -0.982 -14.262 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.032 1.679 -12.985 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.006 1.966 -14.550 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.451 1.889 -15.413 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.521 0.467 -15.379 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.389 0.851 -12.503 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.927 -0.736 -13.163 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.143 -0.124 -11.688 1.00 0.00 H new ATOM 1437 N GLN A 96 -2.792 -0.286 -15.766 1.00 0.00 N ATOM 1438 CA GLN A 96 -1.841 0.116 -16.833 1.00 0.00 C ATOM 1439 C GLN A 96 -2.668 0.470 -18.113 1.00 0.00 C ATOM 1440 O GLN A 96 -3.109 -0.414 -18.857 1.00 0.00 O ATOM 1441 CB GLN A 96 -0.867 -1.089 -16.961 1.00 0.00 C ATOM 1442 CG GLN A 96 0.168 -1.031 -18.110 1.00 0.00 C ATOM 1443 CD GLN A 96 0.902 -2.343 -18.409 1.00 0.00 C ATOM 1444 OE1 GLN A 96 0.873 -3.330 -17.675 1.00 0.00 O ATOM 1445 NE2 GLN A 96 1.591 -2.402 -19.521 1.00 0.00 N ATOM 0 H GLN A 96 -3.142 -1.238 -15.878 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.249 1.010 -16.635 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.325 -1.189 -16.021 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.461 -1.994 -17.084 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.341 -0.706 -19.017 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.909 -0.268 -17.869 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.627 -1.594 -20.142 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.092 -3.256 -19.766 1.00 0.00 H new ATOM 1454 N HIS A 97 -2.911 1.773 -18.344 1.00 0.00 N ATOM 1455 CA HIS A 97 -3.814 2.244 -19.431 1.00 0.00 C ATOM 1456 C HIS A 97 -2.987 2.686 -20.677 1.00 0.00 C ATOM 1457 O HIS A 97 -2.500 3.818 -20.742 1.00 0.00 O ATOM 1458 CB HIS A 97 -4.685 3.364 -18.808 1.00 0.00 C ATOM 1459 CG HIS A 97 -5.857 3.841 -19.662 1.00 0.00 C ATOM 1460 ND1 HIS A 97 -5.857 4.953 -20.482 1.00 0.00 N ATOM 1461 CD2 HIS A 97 -7.059 3.139 -19.823 1.00 0.00 C ATOM 1462 CE1 HIS A 97 -7.057 4.797 -21.126 1.00 0.00 C ATOM 1463 NE2 HIS A 97 -7.869 3.764 -20.759 1.00 0.00 N ATOM 0 H HIS A 97 -2.497 2.527 -17.795 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.468 1.459 -19.810 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.075 3.008 -17.854 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -4.045 4.219 -18.591 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -5.157 5.688 -20.581 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.319 2.236 -19.291 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.354 5.479 -21.909 1.00 0.00 H new ATOM 1472 N GLN A 98 -2.841 1.774 -21.650 1.00 0.00 N ATOM 1473 CA GLN A 98 -2.056 2.012 -22.896 1.00 0.00 C ATOM 1474 C GLN A 98 -2.898 2.758 -23.968 1.00 0.00 C ATOM 1475 O GLN A 98 -3.998 2.307 -24.290 1.00 0.00 O ATOM 1476 CB GLN A 98 -1.572 0.658 -23.488 1.00 0.00 C ATOM 1477 CG GLN A 98 -0.611 -0.167 -22.599 1.00 0.00 C ATOM 1478 CD GLN A 98 0.285 -1.163 -23.346 1.00 0.00 C ATOM 1479 OE1 GLN A 98 0.803 -0.907 -24.430 1.00 0.00 O ATOM 1480 NE2 GLN A 98 0.568 -2.299 -22.765 1.00 0.00 N ATOM 0 H GLN A 98 -3.260 0.845 -21.606 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.201 2.634 -22.630 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.447 0.046 -23.707 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.076 0.856 -24.438 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.025 0.522 -22.044 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.202 -0.715 -21.866 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.148 -2.530 -21.865 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.209 -2.955 -23.212 1.00 0.00 H new ATOM 1489 N GLU A 99 -2.378 3.861 -24.530 1.00 0.00 N ATOM 1490 CA GLU A 99 -3.121 4.702 -25.518 1.00 0.00 C ATOM 1491 C GLU A 99 -2.229 4.966 -26.773 1.00 0.00 C ATOM 1492 O GLU A 99 -1.106 5.470 -26.650 1.00 0.00 O ATOM 1493 CB GLU A 99 -3.518 6.035 -24.824 1.00 0.00 C ATOM 1494 CG GLU A 99 -4.657 5.924 -23.774 1.00 0.00 C ATOM 1495 CD GLU A 99 -4.685 7.075 -22.788 1.00 0.00 C ATOM 1496 OE1 GLU A 99 -4.984 8.220 -23.188 1.00 0.00 O ATOM 1497 OE2 GLU A 99 -4.355 6.857 -21.602 1.00 0.00 O ATOM 0 H GLU A 99 -1.440 4.204 -24.323 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.021 4.188 -25.855 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -2.635 6.448 -24.336 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -3.821 6.748 -25.591 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.615 5.877 -24.292 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -4.545 4.989 -23.225 1.00 0.00 H new ATOM 1504 N TRP A 100 -2.699 4.620 -27.989 1.00 0.00 N ATOM 1505 CA TRP A 100 -1.889 4.775 -29.233 1.00 0.00 C ATOM 1506 C TRP A 100 -2.785 4.876 -30.511 1.00 0.00 C ATOM 1507 O TRP A 100 -3.529 3.945 -30.834 1.00 0.00 O ATOM 1508 CB TRP A 100 -0.772 3.688 -29.333 1.00 0.00 C ATOM 1509 CG TRP A 100 -1.200 2.261 -29.709 1.00 0.00 C ATOM 1510 CD1 TRP A 100 -1.074 1.715 -30.999 1.00 0.00 C ATOM 1511 CD2 TRP A 100 -1.837 1.294 -28.950 1.00 0.00 C ATOM 1512 NE1 TRP A 100 -1.628 0.421 -31.076 1.00 0.00 N ATOM 1513 CE2 TRP A 100 -2.090 0.181 -29.790 1.00 0.00 C ATOM 1514 CE3 TRP A 100 -2.244 1.275 -27.591 1.00 0.00 C ATOM 1515 CZ2 TRP A 100 -2.753 -0.956 -29.275 1.00 0.00 C ATOM 1516 CZ3 TRP A 100 -2.906 0.148 -27.109 1.00 0.00 C ATOM 1517 CH2 TRP A 100 -3.160 -0.949 -27.937 1.00 0.00 C ATOM 0 H TRP A 100 -3.630 4.233 -28.144 1.00 0.00 H new ATOM 0 HA TRP A 100 -1.369 5.731 -29.171 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -0.041 4.024 -30.068 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -0.260 3.643 -28.372 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -0.609 2.225 -31.830 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -1.678 -0.195 -31.888 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.045 2.116 -26.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -2.942 -1.814 -29.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -3.228 0.122 -26.079 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -3.680 -1.807 -27.536 1.00 0.00 H new ATOM 1528 N ASP A 101 -2.681 6.008 -31.235 1.00 0.00 N ATOM 1529 CA ASP A 101 -3.365 6.275 -32.543 1.00 0.00 C ATOM 1530 C ASP A 101 -4.804 5.674 -32.782 1.00 0.00 C ATOM 1531 O ASP A 101 -5.036 4.873 -33.693 1.00 0.00 O ATOM 1532 CB ASP A 101 -2.313 6.009 -33.661 1.00 0.00 C ATOM 1533 CG ASP A 101 -2.502 6.824 -34.940 1.00 0.00 C ATOM 1534 OD1 ASP A 101 -2.572 8.069 -34.854 1.00 0.00 O ATOM 1535 OD2 ASP A 101 -2.550 6.225 -36.034 1.00 0.00 O ATOM 0 H ASP A 101 -2.105 6.792 -30.928 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.678 7.319 -32.547 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.321 6.216 -33.261 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.339 4.950 -33.917 1.00 0.00 H new ATOM 1540 N GLY A 102 -5.762 6.029 -31.903 1.00 0.00 N ATOM 1541 CA GLY A 102 -7.122 5.409 -31.908 1.00 0.00 C ATOM 1542 C GLY A 102 -7.376 4.227 -30.941 1.00 0.00 C ATOM 1543 O GLY A 102 -8.415 4.188 -30.281 1.00 0.00 O ATOM 0 H GLY A 102 -5.630 6.737 -31.180 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.848 6.190 -31.681 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.330 5.065 -32.921 1.00 0.00 H new ATOM 1547 N LYS A 103 -6.461 3.250 -30.896 1.00 0.00 N ATOM 1548 CA LYS A 103 -6.574 2.055 -30.014 1.00 0.00 C ATOM 1549 C LYS A 103 -6.138 2.332 -28.536 1.00 0.00 C ATOM 1550 O LYS A 103 -5.131 3.003 -28.279 1.00 0.00 O ATOM 1551 CB LYS A 103 -5.699 0.926 -30.633 1.00 0.00 C ATOM 1552 CG LYS A 103 -6.306 0.218 -31.871 1.00 0.00 C ATOM 1553 CD LYS A 103 -5.310 -0.744 -32.556 1.00 0.00 C ATOM 1554 CE LYS A 103 -5.878 -1.485 -33.788 1.00 0.00 C ATOM 1555 NZ LYS A 103 -6.392 -2.854 -33.474 1.00 0.00 N ATOM 0 H LYS A 103 -5.616 3.255 -31.467 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.623 1.764 -29.962 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.735 1.350 -30.914 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.506 0.177 -29.865 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.192 -0.339 -31.568 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.632 0.969 -32.590 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.430 -0.178 -32.862 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.977 -1.482 -31.826 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.685 -0.892 -34.219 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.099 -1.563 -34.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.834 -3.262 -34.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.603 -3.460 -33.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.096 -2.794 -32.711 1.00 0.00 H new ATOM 1569 N GLU A 104 -6.873 1.745 -27.571 1.00 0.00 N ATOM 1570 CA GLU A 104 -6.446 1.694 -26.143 1.00 0.00 C ATOM 1571 C GLU A 104 -6.611 0.268 -25.519 1.00 0.00 C ATOM 1572 O GLU A 104 -7.538 -0.474 -25.859 1.00 0.00 O ATOM 1573 CB GLU A 104 -7.110 2.798 -25.264 1.00 0.00 C ATOM 1574 CG GLU A 104 -8.634 2.685 -24.967 1.00 0.00 C ATOM 1575 CD GLU A 104 -9.075 3.442 -23.722 1.00 0.00 C ATOM 1576 OE1 GLU A 104 -9.019 4.688 -23.707 1.00 0.00 O ATOM 1577 OE2 GLU A 104 -9.403 2.788 -22.707 1.00 0.00 O ATOM 0 H GLU A 104 -7.771 1.295 -27.748 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.379 1.915 -26.149 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.586 2.823 -24.309 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.936 3.759 -25.748 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.191 3.061 -25.825 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.895 1.633 -24.853 1.00 0.00 H new ATOM 1584 N SER A 105 -5.732 -0.092 -24.565 1.00 0.00 N ATOM 1585 CA SER A 105 -5.877 -1.332 -23.753 1.00 0.00 C ATOM 1586 C SER A 105 -5.688 -1.053 -22.232 1.00 0.00 C ATOM 1587 O SER A 105 -4.782 -0.322 -21.813 1.00 0.00 O ATOM 1588 CB SER A 105 -4.884 -2.402 -24.251 1.00 0.00 C ATOM 1589 OG SER A 105 -5.116 -3.626 -23.552 1.00 0.00 O ATOM 0 H SER A 105 -4.905 0.458 -24.331 1.00 0.00 H new ATOM 0 HA SER A 105 -6.893 -1.706 -23.880 1.00 0.00 H new ATOM 0 HB2 SER A 105 -5.004 -2.554 -25.324 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.860 -2.067 -24.089 1.00 0.00 H new ATOM 0 HG SER A 105 -4.593 -4.344 -23.966 1.00 0.00 H new ATOM 1595 N THR A 106 -6.536 -1.685 -21.404 1.00 0.00 N ATOM 1596 CA THR A 106 -6.560 -1.468 -19.930 1.00 0.00 C ATOM 1597 C THR A 106 -6.061 -2.770 -19.228 1.00 0.00 C ATOM 1598 O THR A 106 -6.845 -3.712 -19.051 1.00 0.00 O ATOM 1599 CB THR A 106 -7.970 -1.002 -19.421 1.00 0.00 C ATOM 1600 OG1 THR A 106 -8.851 -2.102 -19.212 1.00 0.00 O ATOM 1601 CG2 THR A 106 -8.737 -0.012 -20.317 1.00 0.00 C ATOM 0 H THR A 106 -7.227 -2.362 -21.727 1.00 0.00 H new ATOM 0 HA THR A 106 -5.887 -0.651 -19.672 1.00 0.00 H new ATOM 0 HB THR A 106 -7.705 -0.485 -18.499 1.00 0.00 H new ATOM 0 HG1 THR A 106 -8.370 -2.825 -18.757 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.694 0.231 -19.855 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.151 0.899 -20.438 1.00 0.00 H new ATOM 0 HG23 THR A 106 -8.910 -0.464 -21.294 1.00 0.00 H new ATOM 1609 N ILE A 107 -4.778 -2.828 -18.834 1.00 0.00 N ATOM 1610 CA ILE A 107 -4.164 -4.049 -18.232 1.00 0.00 C ATOM 1611 C ILE A 107 -4.282 -3.917 -16.674 1.00 0.00 C ATOM 1612 O ILE A 107 -3.617 -3.075 -16.061 1.00 0.00 O ATOM 1613 CB ILE A 107 -2.694 -4.306 -18.742 1.00 0.00 C ATOM 1614 CG1 ILE A 107 -2.457 -4.452 -20.277 1.00 0.00 C ATOM 1615 CG2 ILE A 107 -2.093 -5.578 -18.088 1.00 0.00 C ATOM 1616 CD1 ILE A 107 -2.636 -3.181 -21.120 1.00 0.00 C ATOM 0 H ILE A 107 -4.132 -2.043 -18.918 1.00 0.00 H new ATOM 0 HA ILE A 107 -4.702 -4.941 -18.554 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.208 -3.377 -18.446 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -1.445 -4.825 -20.432 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.139 -5.213 -20.657 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.079 -5.732 -18.457 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.070 -5.454 -17.005 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.707 -6.442 -18.342 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.445 -3.410 -22.168 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.656 -2.812 -21.009 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.935 -2.418 -20.781 1.00 0.00 H new ATOM 1628 N THR A 108 -5.121 -4.755 -16.036 1.00 0.00 N ATOM 1629 CA THR A 108 -5.357 -4.705 -14.562 1.00 0.00 C ATOM 1630 C THR A 108 -4.549 -5.844 -13.857 1.00 0.00 C ATOM 1631 O THR A 108 -4.942 -7.015 -13.894 1.00 0.00 O ATOM 1632 CB THR A 108 -6.892 -4.768 -14.296 1.00 0.00 C ATOM 1633 OG1 THR A 108 -7.559 -3.727 -15.004 1.00 0.00 O ATOM 1634 CG2 THR A 108 -7.292 -4.583 -12.825 1.00 0.00 C ATOM 0 H THR A 108 -5.654 -5.482 -16.513 1.00 0.00 H new ATOM 0 HA THR A 108 -4.995 -3.769 -14.135 1.00 0.00 H new ATOM 0 HB THR A 108 -7.179 -5.768 -14.622 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.522 -3.778 -14.830 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.377 -4.641 -12.733 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.834 -5.367 -12.222 1.00 0.00 H new ATOM 0 HG23 THR A 108 -6.950 -3.609 -12.475 1.00 0.00 H new ATOM 1642 N ARG A 109 -3.422 -5.503 -13.206 1.00 0.00 N ATOM 1643 CA ARG A 109 -2.561 -6.503 -12.503 1.00 0.00 C ATOM 1644 C ARG A 109 -2.937 -6.557 -10.990 1.00 0.00 C ATOM 1645 O ARG A 109 -2.531 -5.666 -10.236 1.00 0.00 O ATOM 1646 CB ARG A 109 -1.043 -6.196 -12.689 1.00 0.00 C ATOM 1647 CG ARG A 109 -0.524 -5.854 -14.109 1.00 0.00 C ATOM 1648 CD ARG A 109 1.014 -5.828 -14.170 1.00 0.00 C ATOM 1649 NE ARG A 109 1.452 -5.397 -15.530 1.00 0.00 N ATOM 1650 CZ ARG A 109 2.513 -5.855 -16.193 1.00 0.00 C ATOM 1651 NH1 ARG A 109 3.328 -6.769 -15.734 1.00 0.00 N ATOM 1652 NH2 ARG A 109 2.748 -5.356 -17.368 1.00 0.00 N ATOM 0 H ARG A 109 -3.076 -4.545 -13.146 1.00 0.00 H new ATOM 0 HA ARG A 109 -2.745 -7.480 -12.950 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.791 -5.361 -12.035 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.484 -7.061 -12.332 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.903 -6.588 -14.820 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -0.915 -4.884 -14.414 1.00 0.00 H new ATOM 0 HD2 ARG A 109 1.407 -5.145 -13.417 1.00 0.00 H new ATOM 0 HD3 ARG A 109 1.414 -6.816 -13.944 1.00 0.00 H new ATOM 0 HE ARG A 109 0.887 -4.686 -15.995 1.00 0.00 H new ATOM 0 HH11 ARG A 109 3.169 -7.178 -14.813 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.122 -7.073 -16.297 1.00 0.00 H new ATOM 0 HH21 ARG A 109 2.130 -4.640 -17.751 1.00 0.00 H new ATOM 0 HH22 ARG A 109 3.550 -5.680 -17.908 1.00 0.00 H new ATOM 1666 N LYS A 110 -3.706 -7.571 -10.536 1.00 0.00 N ATOM 1667 CA LYS A 110 -4.124 -7.675 -9.104 1.00 0.00 C ATOM 1668 C LYS A 110 -3.928 -9.094 -8.478 1.00 0.00 C ATOM 1669 O LYS A 110 -3.948 -10.117 -9.166 1.00 0.00 O ATOM 1670 CB LYS A 110 -5.559 -7.089 -8.918 1.00 0.00 C ATOM 1671 CG LYS A 110 -6.782 -8.015 -9.138 1.00 0.00 C ATOM 1672 CD LYS A 110 -8.106 -7.422 -8.597 1.00 0.00 C ATOM 1673 CE LYS A 110 -8.843 -6.531 -9.608 1.00 0.00 C ATOM 1674 NZ LYS A 110 -9.935 -5.781 -8.927 1.00 0.00 N ATOM 0 H LYS A 110 -4.052 -8.327 -11.127 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.439 -7.059 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.624 -6.693 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.660 -6.243 -9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.890 -8.215 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.596 -8.973 -8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.764 -8.238 -8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.893 -6.840 -7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.143 -5.833 -10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.256 -7.142 -10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.428 -5.181 -9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.610 -6.453 -8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.531 -5.184 -8.177 1.00 0.00 H new ATOM 1688 N LEU A 111 -3.819 -9.151 -7.141 1.00 0.00 N ATOM 1689 CA LEU A 111 -3.821 -10.426 -6.368 1.00 0.00 C ATOM 1690 C LEU A 111 -5.266 -11.008 -6.206 1.00 0.00 C ATOM 1691 O LEU A 111 -6.154 -10.346 -5.658 1.00 0.00 O ATOM 1692 CB LEU A 111 -3.129 -10.157 -4.988 1.00 0.00 C ATOM 1693 CG LEU A 111 -1.642 -10.575 -4.808 1.00 0.00 C ATOM 1694 CD1 LEU A 111 -1.507 -12.074 -4.508 1.00 0.00 C ATOM 1695 CD2 LEU A 111 -0.723 -10.180 -5.973 1.00 0.00 C ATOM 0 H LEU A 111 -3.727 -8.321 -6.556 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.262 -11.189 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.200 -9.088 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.712 -10.667 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.299 -10.003 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.454 -12.328 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -2.044 -12.311 -3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.928 -12.649 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.294 -10.511 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -1.075 -10.652 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.735 -9.097 -6.094 1.00 0.00 H new ATOM 1707 N LYS A 112 -5.485 -12.258 -6.652 1.00 0.00 N ATOM 1708 CA LYS A 112 -6.637 -13.084 -6.183 1.00 0.00 C ATOM 1709 C LYS A 112 -6.052 -14.321 -5.430 1.00 0.00 C ATOM 1710 O LYS A 112 -5.389 -15.175 -6.030 1.00 0.00 O ATOM 1711 CB LYS A 112 -7.609 -13.504 -7.329 1.00 0.00 C ATOM 1712 CG LYS A 112 -8.790 -12.539 -7.623 1.00 0.00 C ATOM 1713 CD LYS A 112 -8.502 -11.307 -8.500 1.00 0.00 C ATOM 1714 CE LYS A 112 -8.396 -11.560 -10.016 1.00 0.00 C ATOM 1715 NZ LYS A 112 -9.700 -11.720 -10.720 1.00 0.00 N ATOM 0 H LYS A 112 -4.888 -12.726 -7.334 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.255 -12.484 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.028 -13.621 -8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.021 -14.483 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.583 -13.114 -8.101 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -9.183 -12.188 -6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.290 -10.574 -8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.569 -10.857 -8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.854 -10.731 -10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.800 -12.458 -10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.534 -11.801 -11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.177 -12.579 -10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.300 -10.892 -10.531 1.00 0.00 H new ATOM 1729 N ASP A 113 -6.306 -14.395 -4.109 1.00 0.00 N ATOM 1730 CA ASP A 113 -6.077 -15.626 -3.282 1.00 0.00 C ATOM 1731 C ASP A 113 -4.607 -16.184 -3.281 1.00 0.00 C ATOM 1732 O ASP A 113 -4.355 -17.360 -3.561 1.00 0.00 O ATOM 1733 CB ASP A 113 -7.175 -16.693 -3.581 1.00 0.00 C ATOM 1734 CG ASP A 113 -8.624 -16.228 -3.407 1.00 0.00 C ATOM 1735 OD1 ASP A 113 -9.158 -16.329 -2.283 1.00 0.00 O ATOM 1736 OD2 ASP A 113 -9.216 -15.730 -4.391 1.00 0.00 O ATOM 0 H ASP A 113 -6.676 -13.610 -3.572 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.187 -15.320 -2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -7.046 -17.042 -4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.008 -17.551 -2.929 1.00 0.00 H new ATOM 1741 N GLY A 114 -3.618 -15.310 -3.001 1.00 0.00 N ATOM 1742 CA GLY A 114 -2.175 -15.661 -3.162 1.00 0.00 C ATOM 1743 C GLY A 114 -1.524 -15.581 -4.571 1.00 0.00 C ATOM 1744 O GLY A 114 -0.298 -15.472 -4.650 1.00 0.00 O ATOM 0 H GLY A 114 -3.781 -14.361 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -1.604 -15.010 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.043 -16.680 -2.798 1.00 0.00 H new ATOM 1748 N LYS A 115 -2.299 -15.656 -5.666 1.00 0.00 N ATOM 1749 CA LYS A 115 -1.767 -15.655 -7.055 1.00 0.00 C ATOM 1750 C LYS A 115 -1.966 -14.264 -7.735 1.00 0.00 C ATOM 1751 O LYS A 115 -3.026 -13.637 -7.602 1.00 0.00 O ATOM 1752 CB LYS A 115 -2.500 -16.800 -7.818 1.00 0.00 C ATOM 1753 CG LYS A 115 -1.774 -17.367 -9.059 1.00 0.00 C ATOM 1754 CD LYS A 115 -0.506 -18.211 -8.797 1.00 0.00 C ATOM 1755 CE LYS A 115 -0.780 -19.588 -8.169 1.00 0.00 C ATOM 1756 NZ LYS A 115 0.494 -20.334 -7.970 1.00 0.00 N ATOM 0 H LYS A 115 -3.316 -15.719 -5.621 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.691 -15.831 -7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.676 -17.619 -7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -3.477 -16.432 -8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.482 -17.981 -9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.500 -16.532 -9.704 1.00 0.00 H new ATOM 0 HD2 LYS A 115 0.022 -18.353 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 115 0.159 -17.651 -8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.288 -19.463 -7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.447 -20.161 -8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 0.300 -21.224 -7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 0.922 -20.543 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 1.151 -19.756 -7.408 1.00 0.00 H new ATOM 1770 N LEU A 116 -0.969 -13.792 -8.509 1.00 0.00 N ATOM 1771 CA LEU A 116 -1.152 -12.593 -9.376 1.00 0.00 C ATOM 1772 C LEU A 116 -1.988 -12.960 -10.640 1.00 0.00 C ATOM 1773 O LEU A 116 -1.775 -13.986 -11.292 1.00 0.00 O ATOM 1774 CB LEU A 116 0.231 -11.972 -9.708 1.00 0.00 C ATOM 1775 CG LEU A 116 0.264 -10.731 -10.643 1.00 0.00 C ATOM 1776 CD1 LEU A 116 -0.337 -9.493 -9.959 1.00 0.00 C ATOM 1777 CD2 LEU A 116 1.700 -10.412 -11.085 1.00 0.00 C ATOM 0 H LEU A 116 -0.040 -14.209 -8.558 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.722 -11.830 -8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.708 -11.695 -8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.847 -12.749 -10.161 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.338 -10.978 -11.517 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.297 -8.645 -10.642 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.374 -9.694 -9.690 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.233 -9.262 -9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.694 -9.540 -11.738 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.313 -10.205 -10.208 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.113 -11.265 -11.623 1.00 0.00 H new ATOM 1789 N VAL A 117 -2.959 -12.102 -10.961 1.00 0.00 N ATOM 1790 CA VAL A 117 -3.906 -12.333 -12.077 1.00 0.00 C ATOM 1791 C VAL A 117 -3.880 -11.021 -12.929 1.00 0.00 C ATOM 1792 O VAL A 117 -4.393 -9.971 -12.523 1.00 0.00 O ATOM 1793 CB VAL A 117 -5.318 -12.740 -11.534 1.00 0.00 C ATOM 1794 CG1 VAL A 117 -6.257 -13.143 -12.688 1.00 0.00 C ATOM 1795 CG2 VAL A 117 -5.332 -13.928 -10.536 1.00 0.00 C ATOM 0 H VAL A 117 -3.119 -11.227 -10.462 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.625 -13.173 -12.712 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.648 -11.845 -11.007 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -7.231 -13.421 -12.285 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -6.374 -12.303 -13.372 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.831 -13.991 -13.225 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -6.357 -14.128 -10.222 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -4.921 -14.814 -11.020 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -4.728 -13.678 -9.664 1.00 0.00 H new ATOM 1805 N VAL A 118 -3.244 -11.096 -14.109 1.00 0.00 N ATOM 1806 CA VAL A 118 -3.093 -9.948 -15.048 1.00 0.00 C ATOM 1807 C VAL A 118 -4.285 -10.001 -16.054 1.00 0.00 C ATOM 1808 O VAL A 118 -4.297 -10.827 -16.974 1.00 0.00 O ATOM 1809 CB VAL A 118 -1.663 -10.004 -15.696 1.00 0.00 C ATOM 1810 CG1 VAL A 118 -1.451 -9.020 -16.869 1.00 0.00 C ATOM 1811 CG2 VAL A 118 -0.520 -9.770 -14.682 1.00 0.00 C ATOM 0 H VAL A 118 -2.814 -11.956 -14.450 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.145 -8.978 -14.554 1.00 0.00 H new ATOM 0 HB VAL A 118 -1.621 -11.024 -16.079 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.437 -9.127 -17.255 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.166 -9.239 -17.662 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.600 -7.999 -16.519 1.00 0.00 H new ATOM 0 HG21 VAL A 118 0.439 -9.822 -15.197 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.634 -8.787 -14.226 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.558 -10.536 -13.907 1.00 0.00 H new ATOM 1821 N GLU A 119 -5.290 -9.132 -15.851 1.00 0.00 N ATOM 1822 CA GLU A 119 -6.567 -9.179 -16.615 1.00 0.00 C ATOM 1823 C GLU A 119 -6.649 -7.938 -17.545 1.00 0.00 C ATOM 1824 O GLU A 119 -6.865 -6.807 -17.094 1.00 0.00 O ATOM 1825 CB GLU A 119 -7.790 -9.337 -15.667 1.00 0.00 C ATOM 1826 CG GLU A 119 -7.714 -10.600 -14.769 1.00 0.00 C ATOM 1827 CD GLU A 119 -9.004 -11.301 -14.401 1.00 0.00 C ATOM 1828 OE1 GLU A 119 -9.528 -12.047 -15.257 1.00 0.00 O ATOM 1829 OE2 GLU A 119 -9.456 -11.178 -13.241 1.00 0.00 O ATOM 0 H GLU A 119 -5.250 -8.381 -15.162 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.590 -10.064 -17.251 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -7.866 -8.454 -15.033 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.701 -9.379 -16.265 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.073 -11.326 -15.270 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.213 -10.319 -13.843 1.00 0.00 H new ATOM 1836 N CYS A 120 -6.434 -8.154 -18.852 1.00 0.00 N ATOM 1837 CA CYS A 120 -6.500 -7.073 -19.864 1.00 0.00 C ATOM 1838 C CYS A 120 -7.878 -7.012 -20.586 1.00 0.00 C ATOM 1839 O CYS A 120 -8.485 -8.048 -20.881 1.00 0.00 O ATOM 1840 CB CYS A 120 -5.332 -7.264 -20.856 1.00 0.00 C ATOM 1841 SG CYS A 120 -5.750 -8.458 -22.131 1.00 0.00 S ATOM 0 H CYS A 120 -6.211 -9.071 -19.240 1.00 0.00 H new ATOM 0 HA CYS A 120 -6.400 -6.110 -19.363 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -5.083 -6.308 -21.317 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -4.445 -7.599 -20.318 1.00 0.00 H new ATOM 0 HG CYS A 120 -4.764 -9.292 -22.285 1.00 0.00 H new ATOM 1846 N VAL A 121 -8.327 -5.798 -20.940 1.00 0.00 N ATOM 1847 CA VAL A 121 -9.417 -5.604 -21.942 1.00 0.00 C ATOM 1848 C VAL A 121 -9.009 -4.472 -22.941 1.00 0.00 C ATOM 1849 O VAL A 121 -8.634 -3.364 -22.541 1.00 0.00 O ATOM 1850 CB VAL A 121 -10.829 -5.440 -21.277 1.00 0.00 C ATOM 1851 CG1 VAL A 121 -11.025 -4.194 -20.386 1.00 0.00 C ATOM 1852 CG2 VAL A 121 -11.981 -5.485 -22.310 1.00 0.00 C ATOM 0 H VAL A 121 -7.960 -4.928 -20.554 1.00 0.00 H new ATOM 0 HA VAL A 121 -9.535 -6.511 -22.534 1.00 0.00 H new ATOM 0 HB VAL A 121 -10.866 -6.306 -20.616 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -12.038 -4.190 -19.983 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.308 -4.217 -19.565 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -10.867 -3.294 -20.980 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.935 -5.367 -21.796 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -11.855 -4.678 -23.031 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -11.965 -6.442 -22.831 1.00 0.00 H new ATOM 1862 N MET A 122 -9.103 -4.767 -24.249 1.00 0.00 N ATOM 1863 CA MET A 122 -8.926 -3.757 -25.327 1.00 0.00 C ATOM 1864 C MET A 122 -10.317 -3.249 -25.826 1.00 0.00 C ATOM 1865 O MET A 122 -10.844 -2.273 -25.286 1.00 0.00 O ATOM 1866 CB MET A 122 -7.937 -4.391 -26.345 1.00 0.00 C ATOM 1867 CG MET A 122 -7.539 -3.502 -27.530 1.00 0.00 C ATOM 1868 SD MET A 122 -6.067 -4.190 -28.298 1.00 0.00 S ATOM 1869 CE MET A 122 -5.832 -2.916 -29.537 1.00 0.00 C ATOM 0 H MET A 122 -9.303 -5.705 -24.596 1.00 0.00 H new ATOM 0 HA MET A 122 -8.466 -2.818 -25.019 1.00 0.00 H new ATOM 0 HB2 MET A 122 -7.031 -4.680 -25.812 1.00 0.00 H new ATOM 0 HB3 MET A 122 -8.383 -5.306 -26.735 1.00 0.00 H new ATOM 0 HG2 MET A 122 -8.353 -3.449 -28.253 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.348 -2.484 -27.191 1.00 0.00 H new ATOM 0 HE1 MET A 122 -4.974 -3.169 -30.160 1.00 0.00 H new ATOM 0 HE2 MET A 122 -6.724 -2.844 -30.159 1.00 0.00 H new ATOM 0 HE3 MET A 122 -5.654 -1.959 -29.046 1.00 0.00 H new ATOM 1879 N ASN A 123 -10.925 -3.917 -26.816 1.00 0.00 N ATOM 1880 CA ASN A 123 -12.261 -3.554 -27.371 1.00 0.00 C ATOM 1881 C ASN A 123 -13.156 -4.834 -27.402 1.00 0.00 C ATOM 1882 O ASN A 123 -13.275 -5.511 -28.426 1.00 0.00 O ATOM 1883 CB ASN A 123 -12.082 -2.815 -28.734 1.00 0.00 C ATOM 1884 CG ASN A 123 -11.187 -3.458 -29.815 1.00 0.00 C ATOM 1885 OD1 ASN A 123 -10.890 -4.647 -29.815 1.00 0.00 O ATOM 1886 ND2 ASN A 123 -10.681 -2.676 -30.737 1.00 0.00 N ATOM 0 H ASN A 123 -10.510 -4.733 -27.266 1.00 0.00 H new ATOM 0 HA ASN A 123 -12.791 -2.840 -26.740 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -13.073 -2.674 -29.166 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -11.683 -1.823 -28.522 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -10.050 -3.059 -31.441 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -10.918 -1.684 -30.751 1.00 0.00 H new ATOM 1893 N ASN A 124 -13.711 -5.232 -26.235 1.00 0.00 N ATOM 1894 CA ASN A 124 -14.259 -6.610 -26.002 1.00 0.00 C ATOM 1895 C ASN A 124 -13.219 -7.796 -25.926 1.00 0.00 C ATOM 1896 O ASN A 124 -13.505 -8.806 -25.278 1.00 0.00 O ATOM 1897 CB ASN A 124 -15.491 -6.910 -26.913 1.00 0.00 C ATOM 1898 CG ASN A 124 -16.596 -7.755 -26.278 1.00 0.00 C ATOM 1899 OD1 ASN A 124 -17.635 -7.257 -25.862 1.00 0.00 O ATOM 1900 ND2 ASN A 124 -16.419 -9.045 -26.157 1.00 0.00 N ATOM 0 H ASN A 124 -13.797 -4.619 -25.425 1.00 0.00 H new ATOM 0 HA ASN A 124 -14.609 -6.572 -24.971 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -15.923 -5.962 -27.233 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -15.140 -7.419 -27.811 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -17.140 -9.620 -25.722 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -15.560 -9.476 -26.498 1.00 0.00 H new ATOM 1907 N VAL A 125 -12.036 -7.699 -26.564 1.00 0.00 N ATOM 1908 CA VAL A 125 -10.998 -8.771 -26.587 1.00 0.00 C ATOM 1909 C VAL A 125 -10.246 -8.816 -25.205 1.00 0.00 C ATOM 1910 O VAL A 125 -9.592 -7.844 -24.803 1.00 0.00 O ATOM 1911 CB VAL A 125 -10.064 -8.556 -27.833 1.00 0.00 C ATOM 1912 CG1 VAL A 125 -8.939 -9.609 -27.928 1.00 0.00 C ATOM 1913 CG2 VAL A 125 -10.801 -8.586 -29.198 1.00 0.00 C ATOM 0 H VAL A 125 -11.763 -6.867 -27.087 1.00 0.00 H new ATOM 0 HA VAL A 125 -11.447 -9.757 -26.707 1.00 0.00 H new ATOM 0 HB VAL A 125 -9.659 -7.560 -27.656 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -8.327 -9.409 -28.808 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -8.317 -9.559 -27.034 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -9.377 -10.604 -28.009 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -10.083 -8.430 -30.003 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -11.287 -9.553 -29.328 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -11.552 -7.796 -29.223 1.00 0.00 H new ATOM 1923 N THR A 126 -10.380 -9.948 -24.485 1.00 0.00 N ATOM 1924 CA THR A 126 -9.907 -10.093 -23.071 1.00 0.00 C ATOM 1925 C THR A 126 -8.846 -11.226 -22.903 1.00 0.00 C ATOM 1926 O THR A 126 -9.067 -12.359 -23.348 1.00 0.00 O ATOM 1927 CB THR A 126 -11.080 -10.367 -22.069 1.00 0.00 C ATOM 1928 OG1 THR A 126 -11.828 -11.525 -22.425 1.00 0.00 O ATOM 1929 CG2 THR A 126 -12.089 -9.226 -21.910 1.00 0.00 C ATOM 0 H THR A 126 -10.816 -10.792 -24.856 1.00 0.00 H new ATOM 0 HA THR A 126 -9.447 -9.133 -22.836 1.00 0.00 H new ATOM 0 HB THR A 126 -10.555 -10.495 -21.122 1.00 0.00 H new ATOM 0 HG1 THR A 126 -11.232 -12.185 -22.836 1.00 0.00 H new ATOM 0 HG21 THR A 126 -12.859 -9.518 -21.195 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.576 -8.335 -21.548 1.00 0.00 H new ATOM 0 HG23 THR A 126 -12.551 -9.012 -22.874 1.00 0.00 H new ATOM 1937 N CYS A 127 -7.751 -10.950 -22.161 1.00 0.00 N ATOM 1938 CA CYS A 127 -6.810 -12.009 -21.694 1.00 0.00 C ATOM 1939 C CYS A 127 -6.694 -12.043 -20.138 1.00 0.00 C ATOM 1940 O CYS A 127 -6.415 -11.016 -19.512 1.00 0.00 O ATOM 1941 CB CYS A 127 -5.434 -11.885 -22.391 1.00 0.00 C ATOM 1942 SG CYS A 127 -4.364 -10.646 -21.627 1.00 0.00 S ATOM 0 H CYS A 127 -7.492 -10.007 -21.870 1.00 0.00 H new ATOM 0 HA CYS A 127 -7.227 -12.972 -21.987 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -4.933 -12.853 -22.369 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -5.586 -11.629 -23.440 1.00 0.00 H new ATOM 0 HG CYS A 127 -5.044 -9.559 -21.412 1.00 0.00 H new ATOM 1947 N THR A 128 -6.881 -13.228 -19.527 1.00 0.00 N ATOM 1948 CA THR A 128 -6.666 -13.437 -18.059 1.00 0.00 C ATOM 1949 C THR A 128 -5.382 -14.313 -17.902 1.00 0.00 C ATOM 1950 O THR A 128 -5.358 -15.491 -18.277 1.00 0.00 O ATOM 1951 CB THR A 128 -7.938 -14.036 -17.375 1.00 0.00 C ATOM 1952 OG1 THR A 128 -9.012 -13.093 -17.401 1.00 0.00 O ATOM 1953 CG2 THR A 128 -7.767 -14.474 -15.914 1.00 0.00 C ATOM 0 H THR A 128 -7.183 -14.068 -20.020 1.00 0.00 H new ATOM 0 HA THR A 128 -6.507 -12.492 -17.540 1.00 0.00 H new ATOM 0 HB THR A 128 -8.143 -14.931 -17.962 1.00 0.00 H new ATOM 0 HG1 THR A 128 -9.006 -12.567 -16.574 1.00 0.00 H new ATOM 0 HG21 THR A 128 -8.710 -14.873 -15.541 1.00 0.00 H new ATOM 0 HG22 THR A 128 -6.998 -15.244 -15.853 1.00 0.00 H new ATOM 0 HG23 THR A 128 -7.472 -13.617 -15.309 1.00 0.00 H new ATOM 1961 N ARG A 129 -4.311 -13.709 -17.365 1.00 0.00 N ATOM 1962 CA ARG A 129 -2.962 -14.333 -17.298 1.00 0.00 C ATOM 1963 C ARG A 129 -2.582 -14.640 -15.816 1.00 0.00 C ATOM 1964 O ARG A 129 -2.494 -13.733 -14.982 1.00 0.00 O ATOM 1965 CB ARG A 129 -1.981 -13.342 -17.981 1.00 0.00 C ATOM 1966 CG ARG A 129 -2.011 -13.343 -19.531 1.00 0.00 C ATOM 1967 CD ARG A 129 -1.421 -12.093 -20.207 1.00 0.00 C ATOM 1968 NE ARG A 129 0.026 -11.915 -19.905 1.00 0.00 N ATOM 1969 CZ ARG A 129 0.783 -10.911 -20.340 1.00 0.00 C ATOM 1970 NH1 ARG A 129 0.364 -10.003 -21.184 1.00 0.00 N ATOM 1971 NH2 ARG A 129 2.003 -10.824 -19.902 1.00 0.00 N ATOM 0 H ARG A 129 -4.346 -12.773 -16.962 1.00 0.00 H new ATOM 0 HA ARG A 129 -2.927 -15.292 -17.816 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -2.205 -12.335 -17.630 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -0.968 -13.575 -17.653 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -1.467 -14.218 -19.887 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -3.045 -13.457 -19.857 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -1.558 -12.168 -21.286 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -1.970 -11.211 -19.876 1.00 0.00 H new ATOM 0 HE ARG A 129 0.473 -12.619 -19.318 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -0.590 -10.043 -21.544 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.991 -9.256 -21.482 1.00 0.00 H new ATOM 0 HH21 ARG A 129 2.358 -11.515 -19.241 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.606 -10.064 -20.219 1.00 0.00 H new ATOM 1985 N ILE A 130 -2.363 -15.923 -15.489 1.00 0.00 N ATOM 1986 CA ILE A 130 -2.165 -16.393 -14.084 1.00 0.00 C ATOM 1987 C ILE A 130 -0.629 -16.506 -13.783 1.00 0.00 C ATOM 1988 O ILE A 130 0.132 -17.111 -14.546 1.00 0.00 O ATOM 1989 CB ILE A 130 -2.938 -17.735 -13.804 1.00 0.00 C ATOM 1990 CG1 ILE A 130 -4.407 -17.843 -14.323 1.00 0.00 C ATOM 1991 CG2 ILE A 130 -2.923 -18.102 -12.299 1.00 0.00 C ATOM 1992 CD1 ILE A 130 -5.387 -16.751 -13.869 1.00 0.00 C ATOM 0 H ILE A 130 -2.316 -16.672 -16.180 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.592 -15.660 -13.399 1.00 0.00 H new ATOM 0 HB ILE A 130 -2.367 -18.445 -14.403 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -4.382 -17.845 -15.413 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -4.807 -18.808 -14.012 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -3.467 -19.034 -12.146 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.893 -18.224 -11.964 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -3.399 -17.306 -11.726 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -6.370 -16.943 -14.299 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -5.459 -16.756 -12.781 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -5.028 -15.778 -14.204 1.00 0.00 H new ATOM 2004 N TYR A 131 -0.188 -15.924 -12.655 1.00 0.00 N ATOM 2005 CA TYR A 131 1.250 -15.669 -12.371 1.00 0.00 C ATOM 2006 C TYR A 131 1.680 -16.184 -10.949 1.00 0.00 C ATOM 2007 O TYR A 131 1.137 -15.747 -9.926 1.00 0.00 O ATOM 2008 CB TYR A 131 1.472 -14.134 -12.529 1.00 0.00 C ATOM 2009 CG TYR A 131 1.860 -13.623 -13.927 1.00 0.00 C ATOM 2010 CD1 TYR A 131 3.200 -13.676 -14.305 1.00 0.00 C ATOM 2011 CD2 TYR A 131 0.931 -13.043 -14.793 1.00 0.00 C ATOM 2012 CE1 TYR A 131 3.615 -13.164 -15.530 1.00 0.00 C ATOM 2013 CE2 TYR A 131 1.344 -12.522 -16.022 1.00 0.00 C ATOM 2014 CZ TYR A 131 2.687 -12.593 -16.391 1.00 0.00 C ATOM 2015 OH TYR A 131 3.106 -12.130 -17.609 1.00 0.00 O ATOM 0 H TYR A 131 -0.811 -15.614 -11.910 1.00 0.00 H new ATOM 0 HA TYR A 131 1.878 -16.223 -13.069 1.00 0.00 H new ATOM 0 HB2 TYR A 131 0.556 -13.627 -12.225 1.00 0.00 H new ATOM 0 HB3 TYR A 131 2.251 -13.831 -11.830 1.00 0.00 H new ATOM 0 HD1 TYR A 131 3.925 -14.120 -13.639 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -0.111 -12.997 -14.512 1.00 0.00 H new ATOM 0 HE1 TYR A 131 4.657 -13.210 -15.811 1.00 0.00 H new ATOM 0 HE2 TYR A 131 0.624 -12.065 -16.685 1.00 0.00 H new ATOM 0 HH TYR A 131 3.872 -12.659 -17.914 1.00 0.00 H new ATOM 2025 N GLU A 132 2.677 -17.094 -10.893 1.00 0.00 N ATOM 2026 CA GLU A 132 3.195 -17.708 -9.626 1.00 0.00 C ATOM 2027 C GLU A 132 4.456 -16.992 -9.033 1.00 0.00 C ATOM 2028 O GLU A 132 5.374 -16.643 -9.775 1.00 0.00 O ATOM 2029 CB GLU A 132 3.386 -19.240 -9.857 1.00 0.00 C ATOM 2030 CG GLU A 132 4.441 -19.744 -10.891 1.00 0.00 C ATOM 2031 CD GLU A 132 5.862 -20.068 -10.430 1.00 0.00 C ATOM 2032 OE1 GLU A 132 6.184 -19.935 -9.233 1.00 0.00 O ATOM 2033 OE2 GLU A 132 6.667 -20.494 -11.290 1.00 0.00 O ATOM 0 H GLU A 132 3.157 -17.433 -11.727 1.00 0.00 H new ATOM 0 HA GLU A 132 2.452 -17.561 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 132 3.636 -19.685 -8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 132 2.419 -19.647 -10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 132 4.037 -20.643 -11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 132 4.517 -18.988 -11.673 1.00 0.00 H new ATOM 2040 N LYS A 133 4.495 -16.736 -7.704 1.00 0.00 N ATOM 2041 CA LYS A 133 5.576 -15.922 -7.063 1.00 0.00 C ATOM 2042 C LYS A 133 6.896 -16.730 -6.810 1.00 0.00 C ATOM 2043 O LYS A 133 6.886 -17.777 -6.156 1.00 0.00 O ATOM 2044 CB LYS A 133 5.044 -15.260 -5.753 1.00 0.00 C ATOM 2045 CG LYS A 133 5.638 -13.855 -5.467 1.00 0.00 C ATOM 2046 CD LYS A 133 5.075 -13.187 -4.188 1.00 0.00 C ATOM 2047 CE LYS A 133 5.413 -11.683 -4.043 1.00 0.00 C ATOM 2048 NZ LYS A 133 6.608 -11.412 -3.200 1.00 0.00 N ATOM 0 H LYS A 133 3.793 -17.078 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 133 5.849 -15.138 -7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 133 3.959 -15.178 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 133 5.267 -15.915 -4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.721 -13.940 -5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.441 -13.207 -6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 133 3.991 -13.305 -4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 133 5.460 -13.718 -3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 133 5.577 -11.260 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 133 4.554 -11.167 -3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 7.139 -10.611 -3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.305 -11.180 -2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 7.217 -12.255 -3.179 1.00 0.00 H new ATOM 2062 N VAL A 134 8.027 -16.221 -7.320 1.00 0.00 N ATOM 2063 CA VAL A 134 9.321 -16.966 -7.396 1.00 0.00 C ATOM 2064 C VAL A 134 10.347 -16.242 -6.464 1.00 0.00 C ATOM 2065 O VAL A 134 11.009 -15.285 -6.879 1.00 0.00 O ATOM 2066 CB VAL A 134 9.788 -17.044 -8.893 1.00 0.00 C ATOM 2067 CG1 VAL A 134 11.150 -17.749 -9.095 1.00 0.00 C ATOM 2068 CG2 VAL A 134 8.774 -17.737 -9.832 1.00 0.00 C ATOM 0 H VAL A 134 8.084 -15.275 -7.698 1.00 0.00 H new ATOM 0 HA VAL A 134 9.222 -17.995 -7.050 1.00 0.00 H new ATOM 0 HB VAL A 134 9.878 -15.991 -9.159 1.00 0.00 H new ATOM 0 HG11 VAL A 134 11.400 -17.761 -10.156 1.00 0.00 H new ATOM 0 HG12 VAL A 134 11.923 -17.211 -8.546 1.00 0.00 H new ATOM 0 HG13 VAL A 134 11.088 -18.773 -8.725 1.00 0.00 H new ATOM 0 HG21 VAL A 134 9.169 -17.751 -10.848 1.00 0.00 H new ATOM 0 HG22 VAL A 134 8.605 -18.759 -9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 134 7.832 -17.190 -9.817 1.00 0.00 H new ATOM 2078 N GLU A 135 10.466 -16.704 -5.210 1.00 0.00 N ATOM 2079 CA GLU A 135 11.145 -15.930 -4.133 1.00 0.00 C ATOM 2080 C GLU A 135 12.290 -16.771 -3.509 1.00 0.00 C ATOM 2081 O GLU A 135 12.024 -17.811 -2.856 1.00 0.00 O ATOM 2082 CB GLU A 135 10.115 -15.469 -3.064 1.00 0.00 C ATOM 2083 CG GLU A 135 8.851 -14.701 -3.538 1.00 0.00 C ATOM 2084 CD GLU A 135 9.052 -13.286 -4.076 1.00 0.00 C ATOM 2085 OE1 GLU A 135 9.060 -12.347 -3.257 1.00 0.00 O ATOM 2086 OE2 GLU A 135 9.082 -13.076 -5.308 1.00 0.00 O ATOM 2087 OXT GLU A 135 13.471 -16.383 -3.667 1.00 0.00 O ATOM 0 H GLU A 135 10.104 -17.608 -4.906 1.00 0.00 H new ATOM 0 HA GLU A 135 11.591 -15.033 -4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 135 9.782 -16.354 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 135 10.640 -14.835 -2.349 1.00 0.00 H new ATOM 0 HG2 GLU A 135 8.369 -15.293 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.155 -14.648 -2.701 1.00 0.00 H new