USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1010 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 108 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 103 GLN :FLIP amide:sc= -1.57 F(o=-12,f=-9.4) USER MOD Set 2.2: A 104 GLN : amide:sc= -7.79! C(o=-9.4!,f=-10!) USER MOD Set 3.1: A 62 THR OG1 : rot -170:sc= 0.864 USER MOD Set 3.2: A 64 THR OG1 : rot -71:sc= 1.14 USER MOD Single : A 1 SER N :NH3+ -124:sc= 0.109 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 160:sc= -0.598 USER MOD Single : A 13 ASN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 14 ASN : amide:sc= -1.22 K(o=-1.2,f=-3.9!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -143:sc= -0.0373 (180deg=-0.27) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 0.849 (180deg=0.847) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 29 SER OG : rot 180:sc= 0.989 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= 0.0275 (180deg=-0.143) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 22:sc= 1.21 USER MOD Single : A 39 GLN : amide:sc= -0.0912 X(o=-0.091,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -151:sc=-0.00846 (180deg=-0.869) USER MOD Single : A 43 GLN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -108:sc= -4.27! (180deg=-7.14!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0757 K(o=-0.076,f=-0.66) USER MOD Single : A 63 GLN : amide:sc= -0.477 K(o=-0.48,f=-1) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0404) USER MOD Single : A 79 GLN : amide:sc= -0.0304 X(o=-0.03,f=-0.016) USER MOD Single : A 82 TYR OH : rot 120:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -4.71 X(o=-4.7,f=-4.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0641) USER MOD Single : A 92 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.18) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 92:sc= 0.0693 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.792 4.694 -16.263 1.00 0.00 N ATOM 2 CA SER A 1 7.650 4.546 -15.323 1.00 0.00 C ATOM 3 C SER A 1 8.090 4.779 -13.882 1.00 0.00 C ATOM 4 O SER A 1 9.221 5.189 -13.626 1.00 0.00 O ATOM 5 CB SER A 1 7.070 3.140 -15.480 1.00 0.00 C ATOM 6 OG SER A 1 6.665 2.901 -16.817 1.00 0.00 O ATOM 0 H1 SER A 1 8.560 5.409 -16.981 1.00 0.00 H new ATOM 0 H2 SER A 1 9.638 4.993 -15.737 1.00 0.00 H new ATOM 0 H3 SER A 1 8.978 3.783 -16.729 1.00 0.00 H new ATOM 0 HA SER A 1 6.892 5.293 -15.558 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.815 2.401 -15.185 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.218 3.018 -14.811 1.00 0.00 H new ATOM 0 HG SER A 1 6.299 1.995 -16.891 1.00 0.00 H new ATOM 14 N ARG A 2 7.187 4.514 -12.943 1.00 0.00 N ATOM 15 CA ARG A 2 7.482 4.695 -11.527 1.00 0.00 C ATOM 16 C ARG A 2 7.074 3.463 -10.724 1.00 0.00 C ATOM 17 O ARG A 2 6.627 2.465 -11.287 1.00 0.00 O ATOM 18 CB ARG A 2 6.763 5.936 -10.987 1.00 0.00 C ATOM 19 CG ARG A 2 5.336 6.084 -11.489 1.00 0.00 C ATOM 20 CD ARG A 2 5.264 6.983 -12.713 1.00 0.00 C ATOM 21 NE ARG A 2 5.749 8.332 -12.430 1.00 0.00 N ATOM 22 CZ ARG A 2 5.549 9.375 -13.231 1.00 0.00 C ATOM 23 NH1 ARG A 2 4.876 9.230 -14.366 1.00 0.00 N ATOM 24 NH2 ARG A 2 6.023 10.568 -12.897 1.00 0.00 N ATOM 0 H ARG A 2 6.245 4.173 -13.138 1.00 0.00 H new ATOM 0 HA ARG A 2 8.558 4.834 -11.421 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.753 5.894 -9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.331 6.824 -11.266 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.932 5.102 -11.734 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.712 6.497 -10.696 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.855 6.547 -13.519 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.234 7.034 -13.065 1.00 0.00 H new ATOM 0 HE ARG A 2 6.272 8.483 -11.567 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.509 8.315 -14.628 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.726 10.034 -14.976 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.541 10.685 -12.026 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.870 11.368 -13.511 1.00 0.00 H new ATOM 38 N LEU A 3 7.235 3.542 -9.405 1.00 0.00 N ATOM 39 CA LEU A 3 6.887 2.433 -8.518 1.00 0.00 C ATOM 40 C LEU A 3 5.451 1.976 -8.746 1.00 0.00 C ATOM 41 O LEU A 3 4.523 2.476 -8.111 1.00 0.00 O ATOM 42 CB LEU A 3 7.066 2.850 -7.059 1.00 0.00 C ATOM 43 CG LEU A 3 6.946 1.719 -6.037 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.065 0.705 -6.224 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.959 2.282 -4.623 1.00 0.00 C ATOM 0 H LEU A 3 7.605 4.363 -8.926 1.00 0.00 H new ATOM 0 HA LEU A 3 7.554 1.601 -8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.046 3.315 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.323 3.612 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 3 5.997 1.207 -6.196 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.961 -0.091 -5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.008 0.281 -7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.028 1.198 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.873 1.466 -3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.893 2.817 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.120 2.967 -4.496 1.00 0.00 H new ATOM 57 N GLU A 4 5.273 1.026 -9.655 1.00 0.00 N ATOM 58 CA GLU A 4 3.950 0.508 -9.961 1.00 0.00 C ATOM 59 C GLU A 4 3.943 -1.016 -9.947 1.00 0.00 C ATOM 60 O GLU A 4 4.995 -1.656 -9.950 1.00 0.00 O ATOM 61 CB GLU A 4 3.489 1.016 -11.328 1.00 0.00 C ATOM 62 CG GLU A 4 4.358 0.537 -12.479 1.00 0.00 C ATOM 63 CD GLU A 4 4.273 1.446 -13.691 1.00 0.00 C ATOM 64 OE1 GLU A 4 4.254 2.680 -13.506 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.225 0.922 -14.823 1.00 0.00 O ATOM 0 H GLU A 4 6.029 0.600 -10.192 1.00 0.00 H new ATOM 0 HA GLU A 4 3.262 0.863 -9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.462 0.692 -11.499 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.482 2.106 -11.318 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.394 0.477 -12.146 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.055 -0.471 -12.763 1.00 0.00 H new ATOM 72 N GLY A 5 2.746 -1.588 -9.931 1.00 0.00 N ATOM 73 CA GLY A 5 2.606 -3.031 -9.914 1.00 0.00 C ATOM 74 C GLY A 5 1.329 -3.461 -9.229 1.00 0.00 C ATOM 75 O GLY A 5 0.367 -2.697 -9.166 1.00 0.00 O ATOM 0 H GLY A 5 1.865 -1.075 -9.929 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.616 -3.410 -10.936 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.460 -3.473 -9.402 1.00 0.00 H new ATOM 79 N TRP A 6 1.314 -4.681 -8.705 1.00 0.00 N ATOM 80 CA TRP A 6 0.135 -5.186 -8.018 1.00 0.00 C ATOM 81 C TRP A 6 0.451 -5.534 -6.573 1.00 0.00 C ATOM 82 O TRP A 6 1.345 -6.334 -6.295 1.00 0.00 O ATOM 83 CB TRP A 6 -0.426 -6.413 -8.726 1.00 0.00 C ATOM 84 CG TRP A 6 -0.630 -6.190 -10.183 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.332 -6.197 -11.138 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.866 -5.914 -10.852 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.218 -5.933 -12.364 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.569 -5.762 -12.218 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.192 -5.782 -10.431 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.548 -5.483 -13.167 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.165 -5.507 -11.374 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.838 -5.360 -12.729 1.00 0.00 C ATOM 0 H TRP A 6 2.098 -5.332 -8.743 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.614 -4.394 -8.034 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.254 -7.253 -8.583 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.376 -6.690 -8.268 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.380 -6.384 -10.958 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.295 -5.873 -13.243 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.452 -5.893 -9.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.298 -5.368 -14.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.194 -5.404 -11.061 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.620 -5.145 -13.442 1.00 0.00 H new ATOM 103 N LEU A 7 -0.304 -4.947 -5.659 1.00 0.00 N ATOM 104 CA LEU A 7 -0.127 -5.211 -4.243 1.00 0.00 C ATOM 105 C LEU A 7 -1.417 -5.773 -3.681 1.00 0.00 C ATOM 106 O LEU A 7 -2.499 -5.475 -4.181 1.00 0.00 O ATOM 107 CB LEU A 7 0.278 -3.946 -3.495 1.00 0.00 C ATOM 108 CG LEU A 7 1.647 -3.383 -3.878 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.736 -1.914 -3.508 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.755 -4.174 -3.200 1.00 0.00 C ATOM 0 H LEU A 7 -1.047 -4.283 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 7 0.675 -5.937 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.476 -3.179 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.274 -4.157 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 7 1.771 -3.475 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.716 -1.527 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.963 -1.358 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.593 -1.800 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.723 -3.760 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.636 -4.112 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.701 -5.217 -3.512 1.00 0.00 H new ATOM 122 N SER A 8 -1.302 -6.605 -2.662 1.00 0.00 N ATOM 123 CA SER A 8 -2.474 -7.240 -2.074 1.00 0.00 C ATOM 124 C SER A 8 -3.062 -6.409 -0.941 1.00 0.00 C ATOM 125 O SER A 8 -2.338 -5.840 -0.125 1.00 0.00 O ATOM 126 CB SER A 8 -2.117 -8.638 -1.566 1.00 0.00 C ATOM 127 OG SER A 8 -2.525 -9.634 -2.488 1.00 0.00 O ATOM 0 H SER A 8 -0.416 -6.858 -2.224 1.00 0.00 H new ATOM 0 HA SER A 8 -3.231 -7.318 -2.855 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.041 -8.706 -1.404 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.596 -8.812 -0.602 1.00 0.00 H new ATOM 0 HG SER A 8 -2.024 -10.460 -2.320 1.00 0.00 H new ATOM 133 N LEU A 9 -4.388 -6.355 -0.904 1.00 0.00 N ATOM 134 CA LEU A 9 -5.103 -5.606 0.119 1.00 0.00 C ATOM 135 C LEU A 9 -6.136 -6.497 0.802 1.00 0.00 C ATOM 136 O LEU A 9 -6.595 -7.481 0.223 1.00 0.00 O ATOM 137 CB LEU A 9 -5.794 -4.390 -0.503 1.00 0.00 C ATOM 138 CG LEU A 9 -4.852 -3.376 -1.160 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.910 -3.495 -2.675 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.199 -1.960 -0.722 1.00 0.00 C ATOM 0 H LEU A 9 -4.993 -6.826 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.385 -5.263 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.507 -4.739 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.368 -3.881 0.272 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.834 -3.596 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.234 -2.767 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.610 -4.500 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.927 -3.304 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.519 -1.255 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.224 -1.730 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.103 -1.880 0.361 1.00 0.00 H new ATOM 152 N PRO A 10 -6.517 -6.167 2.047 1.00 0.00 N ATOM 153 CA PRO A 10 -7.500 -6.951 2.797 1.00 0.00 C ATOM 154 C PRO A 10 -8.838 -7.042 2.074 1.00 0.00 C ATOM 155 O PRO A 10 -9.675 -6.145 2.174 1.00 0.00 O ATOM 156 CB PRO A 10 -7.652 -6.190 4.120 1.00 0.00 C ATOM 157 CG PRO A 10 -7.093 -4.831 3.859 1.00 0.00 C ATOM 158 CD PRO A 10 -6.027 -5.014 2.818 1.00 0.00 C ATOM 0 HA PRO A 10 -7.175 -7.983 2.929 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.697 -6.134 4.423 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.113 -6.689 4.925 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.869 -4.151 3.507 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.679 -4.398 4.770 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.916 -4.128 2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.054 -5.212 3.267 1.00 0.00 H new ATOM 166 N VAL A 11 -9.031 -8.135 1.346 1.00 0.00 N ATOM 167 CA VAL A 11 -10.263 -8.356 0.601 1.00 0.00 C ATOM 168 C VAL A 11 -11.357 -8.907 1.515 1.00 0.00 C ATOM 169 O VAL A 11 -11.146 -9.067 2.714 1.00 0.00 O ATOM 170 CB VAL A 11 -10.024 -9.317 -0.589 1.00 0.00 C ATOM 171 CG1 VAL A 11 -10.107 -10.775 -0.155 1.00 0.00 C ATOM 172 CG2 VAL A 11 -11.002 -9.031 -1.718 1.00 0.00 C ATOM 0 H VAL A 11 -8.346 -8.885 1.256 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.592 -7.395 0.206 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.014 -9.141 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.934 -11.421 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.350 -10.972 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.096 -10.976 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.816 -9.718 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.022 -9.164 -1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.870 -8.005 -2.063 1.00 0.00 H new ATOM 182 N ARG A 12 -12.522 -9.196 0.946 1.00 0.00 N ATOM 183 CA ARG A 12 -13.634 -9.728 1.721 1.00 0.00 C ATOM 184 C ARG A 12 -14.255 -10.934 1.024 1.00 0.00 C ATOM 185 O ARG A 12 -15.239 -10.805 0.296 1.00 0.00 O ATOM 186 CB ARG A 12 -14.695 -8.650 1.942 1.00 0.00 C ATOM 187 CG ARG A 12 -14.360 -7.690 3.073 1.00 0.00 C ATOM 188 CD ARG A 12 -15.151 -6.395 2.961 1.00 0.00 C ATOM 189 NE ARG A 12 -15.960 -6.144 4.152 1.00 0.00 N ATOM 190 CZ ARG A 12 -17.129 -6.735 4.392 1.00 0.00 C ATOM 191 NH1 ARG A 12 -17.628 -7.610 3.527 1.00 0.00 N ATOM 192 NH2 ARG A 12 -17.801 -6.449 5.499 1.00 0.00 N ATOM 0 H ARG A 12 -12.720 -9.071 -0.047 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.247 -10.048 2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.822 -8.082 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.650 -9.130 2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.573 -8.166 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.293 -7.468 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.464 -5.563 2.807 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.799 -6.440 2.085 1.00 0.00 H new ATOM 0 HE ARG A 12 -15.609 -5.477 4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.116 -7.833 2.674 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.524 -8.060 3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.422 -5.777 6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -18.696 -6.901 5.683 1.00 0.00 H new ATOM 206 N ASN A 13 -13.669 -12.105 1.252 1.00 0.00 N ATOM 207 CA ASN A 13 -14.159 -13.339 0.647 1.00 0.00 C ATOM 208 C ASN A 13 -15.635 -13.560 0.966 1.00 0.00 C ATOM 209 O ASN A 13 -16.460 -13.701 0.063 1.00 0.00 O ATOM 210 CB ASN A 13 -13.337 -14.532 1.138 1.00 0.00 C ATOM 211 CG ASN A 13 -11.924 -14.528 0.584 1.00 0.00 C ATOM 212 OD1 ASN A 13 -11.651 -15.131 -0.453 1.00 0.00 O ATOM 213 ND2 ASN A 13 -11.020 -13.845 1.276 1.00 0.00 N ATOM 0 H ASN A 13 -12.853 -12.226 1.852 1.00 0.00 H new ATOM 0 HA ASN A 13 -14.052 -13.249 -0.434 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.297 -14.519 2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.835 -15.457 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.053 -13.805 0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.292 -13.360 2.131 1.00 0.00 H new ATOM 220 N ASN A 14 -15.961 -13.591 2.255 1.00 0.00 N ATOM 221 CA ASN A 14 -17.339 -13.798 2.689 1.00 0.00 C ATOM 222 C ASN A 14 -17.880 -12.563 3.407 1.00 0.00 C ATOM 223 O ASN A 14 -18.743 -11.859 2.883 1.00 0.00 O ATOM 224 CB ASN A 14 -17.441 -15.024 3.605 1.00 0.00 C ATOM 225 CG ASN A 14 -16.193 -15.240 4.441 1.00 0.00 C ATOM 226 OD1 ASN A 14 -15.095 -15.400 3.909 1.00 0.00 O ATOM 227 ND2 ASN A 14 -16.359 -15.247 5.760 1.00 0.00 N ATOM 0 H ASN A 14 -15.291 -13.476 3.016 1.00 0.00 H new ATOM 0 HA ASN A 14 -17.944 -13.972 1.799 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.300 -14.907 4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -17.624 -15.911 2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.557 -15.389 6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -17.288 -15.110 6.158 1.00 0.00 H new ATOM 234 N THR A 15 -17.367 -12.305 4.606 1.00 0.00 N ATOM 235 CA THR A 15 -17.804 -11.154 5.391 1.00 0.00 C ATOM 236 C THR A 15 -17.021 -11.058 6.696 1.00 0.00 C ATOM 237 O THR A 15 -16.557 -9.982 7.075 1.00 0.00 O ATOM 238 CB THR A 15 -19.301 -11.249 5.686 1.00 0.00 C ATOM 239 OG1 THR A 15 -19.707 -10.206 6.554 1.00 0.00 O ATOM 240 CG2 THR A 15 -19.702 -12.560 6.326 1.00 0.00 C ATOM 0 H THR A 15 -16.650 -12.875 5.055 1.00 0.00 H new ATOM 0 HA THR A 15 -17.614 -10.254 4.807 1.00 0.00 H new ATOM 0 HB THR A 15 -19.793 -11.171 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.668 -10.282 6.730 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.777 -12.562 6.509 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.446 -13.384 5.660 1.00 0.00 H new ATOM 0 HG23 THR A 15 -19.173 -12.680 7.271 1.00 0.00 H new ATOM 248 N LYS A 16 -16.876 -12.188 7.380 1.00 0.00 N ATOM 249 CA LYS A 16 -16.148 -12.230 8.643 1.00 0.00 C ATOM 250 C LYS A 16 -14.711 -12.700 8.428 1.00 0.00 C ATOM 251 O LYS A 16 -14.108 -13.311 9.311 1.00 0.00 O ATOM 252 CB LYS A 16 -16.859 -13.152 9.637 1.00 0.00 C ATOM 253 CG LYS A 16 -17.102 -12.510 10.993 1.00 0.00 C ATOM 254 CD LYS A 16 -15.925 -12.726 11.930 1.00 0.00 C ATOM 255 CE LYS A 16 -15.928 -14.130 12.513 1.00 0.00 C ATOM 256 NZ LYS A 16 -15.505 -14.140 13.941 1.00 0.00 N ATOM 0 H LYS A 16 -17.253 -13.087 7.081 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.122 -11.220 9.053 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.815 -13.461 9.214 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.264 -14.055 9.773 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -17.275 -11.442 10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -18.005 -12.928 11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.993 -12.557 11.390 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.963 -11.995 12.738 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -16.928 -14.556 12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.260 -14.766 11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.521 -15.116 14.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.541 -13.757 14.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -16.157 -13.554 14.500 1.00 0.00 H new ATOM 270 N LYS A 17 -14.171 -12.409 7.250 1.00 0.00 N ATOM 271 CA LYS A 17 -12.806 -12.797 6.914 1.00 0.00 C ATOM 272 C LYS A 17 -12.266 -11.930 5.781 1.00 0.00 C ATOM 273 O LYS A 17 -13.029 -11.414 4.966 1.00 0.00 O ATOM 274 CB LYS A 17 -12.756 -14.275 6.518 1.00 0.00 C ATOM 275 CG LYS A 17 -11.711 -15.072 7.279 1.00 0.00 C ATOM 276 CD LYS A 17 -10.436 -15.237 6.469 1.00 0.00 C ATOM 277 CE LYS A 17 -10.506 -16.455 5.562 1.00 0.00 C ATOM 278 NZ LYS A 17 -9.211 -17.188 5.515 1.00 0.00 N ATOM 0 H LYS A 17 -14.659 -11.904 6.510 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.179 -12.648 7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.736 -14.721 6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.552 -14.350 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.483 -14.570 8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.113 -16.054 7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.267 -14.344 5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.585 -15.333 7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.290 -17.125 5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.783 -16.142 4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.051 -17.549 4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.438 -16.544 5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.238 -17.984 6.183 1.00 0.00 H new ATOM 292 N PHE A 18 -10.947 -11.767 5.738 1.00 0.00 N ATOM 293 CA PHE A 18 -10.317 -10.955 4.704 1.00 0.00 C ATOM 294 C PHE A 18 -9.040 -11.607 4.185 1.00 0.00 C ATOM 295 O PHE A 18 -8.071 -11.777 4.926 1.00 0.00 O ATOM 296 CB PHE A 18 -10.003 -9.558 5.244 1.00 0.00 C ATOM 297 CG PHE A 18 -11.140 -8.939 6.008 1.00 0.00 C ATOM 298 CD1 PHE A 18 -11.380 -9.294 7.326 1.00 0.00 C ATOM 299 CD2 PHE A 18 -11.967 -8.003 5.408 1.00 0.00 C ATOM 300 CE1 PHE A 18 -12.424 -8.725 8.031 1.00 0.00 C ATOM 301 CE2 PHE A 18 -13.012 -7.431 6.109 1.00 0.00 C ATOM 302 CZ PHE A 18 -13.241 -7.793 7.422 1.00 0.00 C ATOM 0 H PHE A 18 -10.297 -12.184 6.404 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.019 -10.873 3.874 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.129 -9.616 5.893 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.739 -8.907 4.411 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.745 -10.023 7.807 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.793 -7.717 4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.601 -9.009 9.058 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.649 -6.702 5.630 1.00 0.00 H new ATOM 0 HZ PHE A 18 -14.057 -7.348 7.971 1.00 0.00 H new ATOM 312 N GLY A 19 -9.043 -11.959 2.904 1.00 0.00 N ATOM 313 CA GLY A 19 -7.877 -12.577 2.299 1.00 0.00 C ATOM 314 C GLY A 19 -6.946 -11.552 1.683 1.00 0.00 C ATOM 315 O GLY A 19 -6.528 -10.604 2.351 1.00 0.00 O ATOM 0 H GLY A 19 -9.833 -11.827 2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.338 -13.149 3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.197 -13.283 1.532 1.00 0.00 H new ATOM 319 N TRP A 20 -6.624 -11.732 0.406 1.00 0.00 N ATOM 320 CA TRP A 20 -5.743 -10.802 -0.292 1.00 0.00 C ATOM 321 C TRP A 20 -6.097 -10.709 -1.770 1.00 0.00 C ATOM 322 O TRP A 20 -6.463 -11.700 -2.401 1.00 0.00 O ATOM 323 CB TRP A 20 -4.280 -11.223 -0.152 1.00 0.00 C ATOM 324 CG TRP A 20 -3.805 -11.280 1.268 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.378 -12.384 1.948 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.706 -10.182 2.182 1.00 0.00 C ATOM 327 NE1 TRP A 20 -3.015 -12.038 3.229 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.210 -10.693 3.396 1.00 0.00 C ATOM 329 CE3 TRP A 20 -3.987 -8.815 2.091 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.990 -9.885 4.510 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.768 -8.015 3.197 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.274 -8.552 4.392 1.00 0.00 C ATOM 0 H TRP A 20 -6.958 -12.509 -0.164 1.00 0.00 H new ATOM 0 HA TRP A 20 -5.881 -9.824 0.168 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.147 -12.203 -0.610 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.655 -10.524 -0.708 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.332 -13.383 1.540 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.659 -12.679 3.938 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.368 -8.392 1.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.609 -10.296 5.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.982 -6.958 3.138 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.114 -7.900 5.238 1.00 0.00 H new ATOM 343 N VAL A 21 -5.967 -9.508 -2.313 1.00 0.00 N ATOM 344 CA VAL A 21 -6.250 -9.260 -3.720 1.00 0.00 C ATOM 345 C VAL A 21 -5.289 -8.211 -4.262 1.00 0.00 C ATOM 346 O VAL A 21 -5.329 -7.055 -3.841 1.00 0.00 O ATOM 347 CB VAL A 21 -7.700 -8.781 -3.928 1.00 0.00 C ATOM 348 CG1 VAL A 21 -7.951 -7.486 -3.169 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.001 -8.606 -5.410 1.00 0.00 C ATOM 0 H VAL A 21 -5.665 -8.683 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.119 -10.199 -4.258 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.372 -9.543 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.980 -7.164 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.783 -7.650 -2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.270 -6.715 -3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.030 -8.267 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.322 -7.867 -5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.868 -9.558 -5.923 1.00 0.00 H new ATOM 359 N LYS A 22 -4.408 -8.611 -5.174 1.00 0.00 N ATOM 360 CA LYS A 22 -3.440 -7.681 -5.722 1.00 0.00 C ATOM 361 C LYS A 22 -4.092 -6.680 -6.669 1.00 0.00 C ATOM 362 O LYS A 22 -4.499 -7.025 -7.778 1.00 0.00 O ATOM 363 CB LYS A 22 -2.313 -8.428 -6.434 1.00 0.00 C ATOM 364 CG LYS A 22 -2.733 -9.061 -7.746 1.00 0.00 C ATOM 365 CD LYS A 22 -1.666 -9.997 -8.274 1.00 0.00 C ATOM 366 CE LYS A 22 -1.221 -9.578 -9.660 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.525 -10.677 -10.383 1.00 0.00 N ATOM 0 H LYS A 22 -4.348 -9.560 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.018 -7.123 -4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.492 -7.736 -6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.930 -9.205 -5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.664 -9.610 -7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.931 -8.281 -8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.811 -9.999 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.052 -11.016 -8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.089 -9.258 -10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.556 -8.718 -9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.239 -10.345 -11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.318 -10.966 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.167 -11.489 -10.482 1.00 0.00 H new ATOM 381 N LYS A 23 -4.164 -5.432 -6.228 1.00 0.00 N ATOM 382 CA LYS A 23 -4.732 -4.367 -7.038 1.00 0.00 C ATOM 383 C LYS A 23 -3.604 -3.535 -7.626 1.00 0.00 C ATOM 384 O LYS A 23 -2.573 -3.335 -6.983 1.00 0.00 O ATOM 385 CB LYS A 23 -5.664 -3.488 -6.205 1.00 0.00 C ATOM 386 CG LYS A 23 -6.756 -4.264 -5.488 1.00 0.00 C ATOM 387 CD LYS A 23 -7.842 -4.715 -6.450 1.00 0.00 C ATOM 388 CE LYS A 23 -9.219 -4.637 -5.811 1.00 0.00 C ATOM 389 NZ LYS A 23 -10.182 -5.576 -6.450 1.00 0.00 N ATOM 0 H LYS A 23 -3.835 -5.133 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.321 -4.806 -7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.073 -2.944 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.126 -2.745 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.322 -5.133 -4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.195 -3.641 -4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.819 -4.092 -7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.645 -5.739 -6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.140 -4.866 -4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.599 -3.618 -5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.104 -5.504 -5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.291 -5.331 -7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.825 -6.549 -6.367 1.00 0.00 H new ATOM 403 N TYR A 24 -3.783 -3.071 -8.850 1.00 0.00 N ATOM 404 CA TYR A 24 -2.751 -2.286 -9.510 1.00 0.00 C ATOM 405 C TYR A 24 -2.494 -0.969 -8.789 1.00 0.00 C ATOM 406 O TYR A 24 -3.319 -0.057 -8.818 1.00 0.00 O ATOM 407 CB TYR A 24 -3.113 -2.018 -10.970 1.00 0.00 C ATOM 408 CG TYR A 24 -1.903 -1.983 -11.876 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.721 -1.381 -11.459 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.937 -2.554 -13.141 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.391 -1.349 -12.276 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.827 -2.528 -13.964 1.00 0.00 C ATOM 413 CZ TYR A 24 0.334 -1.924 -13.528 1.00 0.00 C ATOM 414 OH TYR A 24 1.440 -1.896 -14.346 1.00 0.00 O ATOM 0 H TYR A 24 -4.626 -3.222 -9.405 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.835 -2.876 -9.476 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.799 -2.790 -11.317 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.641 -1.067 -11.040 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.672 -0.931 -10.479 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.845 -3.026 -13.487 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.301 -0.876 -11.937 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.868 -2.979 -14.945 1.00 0.00 H new ATOM 0 HH TYR A 24 1.233 -2.345 -15.192 1.00 0.00 H new ATOM 424 N VAL A 25 -1.328 -0.878 -8.157 1.00 0.00 N ATOM 425 CA VAL A 25 -0.934 0.327 -7.442 1.00 0.00 C ATOM 426 C VAL A 25 0.210 1.017 -8.168 1.00 0.00 C ATOM 427 O VAL A 25 1.249 0.410 -8.424 1.00 0.00 O ATOM 428 CB VAL A 25 -0.490 0.024 -5.997 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.412 1.307 -5.183 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.430 -0.978 -5.340 1.00 0.00 C ATOM 0 H VAL A 25 -0.638 -1.629 -8.127 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.809 0.976 -7.406 1.00 0.00 H new ATOM 0 HB VAL A 25 0.505 -0.421 -6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.097 1.074 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.309 1.985 -5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.392 1.783 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.096 -1.176 -4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.440 -0.569 -5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.427 -1.907 -5.910 1.00 0.00 H new ATOM 440 N ILE A 26 0.018 2.285 -8.500 1.00 0.00 N ATOM 441 CA ILE A 26 1.041 3.048 -9.196 1.00 0.00 C ATOM 442 C ILE A 26 1.355 4.333 -8.444 1.00 0.00 C ATOM 443 O ILE A 26 0.506 5.215 -8.316 1.00 0.00 O ATOM 444 CB ILE A 26 0.609 3.388 -10.637 1.00 0.00 C ATOM 445 CG1 ILE A 26 -0.027 2.167 -11.304 1.00 0.00 C ATOM 446 CG2 ILE A 26 1.801 3.873 -11.451 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.441 2.409 -12.739 1.00 0.00 C ATOM 0 H ILE A 26 -0.836 2.806 -8.299 1.00 0.00 H new ATOM 0 HA ILE A 26 1.935 2.427 -9.241 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.130 4.188 -10.596 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.679 1.337 -11.273 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.901 1.863 -10.728 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.478 4.108 -12.465 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.219 4.766 -10.987 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.561 3.092 -11.484 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.884 1.501 -13.148 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.171 3.217 -12.776 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.434 2.683 -13.329 1.00 0.00 H new ATOM 459 N VAL A 27 2.580 4.431 -7.941 1.00 0.00 N ATOM 460 CA VAL A 27 3.004 5.605 -7.194 1.00 0.00 C ATOM 461 C VAL A 27 3.702 6.608 -8.106 1.00 0.00 C ATOM 462 O VAL A 27 4.855 6.410 -8.492 1.00 0.00 O ATOM 463 CB VAL A 27 3.956 5.228 -6.043 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.187 6.421 -5.129 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.409 4.045 -5.261 1.00 0.00 C ATOM 0 H VAL A 27 3.296 3.711 -8.038 1.00 0.00 H new ATOM 0 HA VAL A 27 2.104 6.057 -6.776 1.00 0.00 H new ATOM 0 HB VAL A 27 4.915 4.937 -6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.862 6.136 -4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.629 7.237 -5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.236 6.747 -4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.096 3.794 -4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.436 4.304 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.302 3.188 -5.925 1.00 0.00 H new ATOM 475 N SER A 28 3.001 7.682 -8.444 1.00 0.00 N ATOM 476 CA SER A 28 3.556 8.713 -9.310 1.00 0.00 C ATOM 477 C SER A 28 4.648 9.497 -8.590 1.00 0.00 C ATOM 478 O SER A 28 4.824 9.368 -7.379 1.00 0.00 O ATOM 479 CB SER A 28 2.454 9.663 -9.784 1.00 0.00 C ATOM 480 OG SER A 28 2.900 10.463 -10.865 1.00 0.00 O ATOM 0 H SER A 28 2.047 7.862 -8.132 1.00 0.00 H new ATOM 0 HA SER A 28 3.998 8.223 -10.178 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.580 9.088 -10.090 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.141 10.303 -8.959 1.00 0.00 H new ATOM 0 HG SER A 28 2.177 11.060 -11.150 1.00 0.00 H new ATOM 486 N SER A 29 5.383 10.303 -9.348 1.00 0.00 N ATOM 487 CA SER A 29 6.466 11.109 -8.790 1.00 0.00 C ATOM 488 C SER A 29 6.029 11.843 -7.523 1.00 0.00 C ATOM 489 O SER A 29 6.777 11.909 -6.547 1.00 0.00 O ATOM 490 CB SER A 29 6.961 12.117 -9.828 1.00 0.00 C ATOM 491 OG SER A 29 7.568 11.462 -10.928 1.00 0.00 O ATOM 0 H SER A 29 5.249 10.417 -10.353 1.00 0.00 H new ATOM 0 HA SER A 29 7.277 10.432 -8.523 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.125 12.723 -10.178 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.677 12.797 -9.366 1.00 0.00 H new ATOM 0 HG SER A 29 7.874 12.129 -11.578 1.00 0.00 H new ATOM 497 N LYS A 30 4.818 12.394 -7.544 1.00 0.00 N ATOM 498 CA LYS A 30 4.294 13.125 -6.394 1.00 0.00 C ATOM 499 C LYS A 30 2.794 12.896 -6.229 1.00 0.00 C ATOM 500 O LYS A 30 2.036 13.835 -5.985 1.00 0.00 O ATOM 501 CB LYS A 30 4.578 14.622 -6.545 1.00 0.00 C ATOM 502 CG LYS A 30 6.026 14.999 -6.276 1.00 0.00 C ATOM 503 CD LYS A 30 6.597 15.862 -7.390 1.00 0.00 C ATOM 504 CE LYS A 30 6.251 17.329 -7.191 1.00 0.00 C ATOM 505 NZ LYS A 30 4.989 17.703 -7.888 1.00 0.00 N ATOM 0 H LYS A 30 4.184 12.349 -8.341 1.00 0.00 H new ATOM 0 HA LYS A 30 4.796 12.750 -5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.312 14.933 -7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.935 15.176 -5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.093 15.535 -5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.625 14.094 -6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.680 15.744 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.209 15.522 -8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.152 17.537 -6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.068 17.948 -7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.789 18.711 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.091 17.529 -8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.204 17.131 -7.516 1.00 0.00 H new ATOM 519 N LYS A 31 2.370 11.642 -6.359 1.00 0.00 N ATOM 520 CA LYS A 31 0.960 11.293 -6.220 1.00 0.00 C ATOM 521 C LYS A 31 0.752 9.790 -6.369 1.00 0.00 C ATOM 522 O LYS A 31 1.264 9.173 -7.303 1.00 0.00 O ATOM 523 CB LYS A 31 0.121 12.041 -7.259 1.00 0.00 C ATOM 524 CG LYS A 31 -1.367 11.731 -7.176 1.00 0.00 C ATOM 525 CD LYS A 31 -2.205 13.000 -7.203 1.00 0.00 C ATOM 526 CE LYS A 31 -2.516 13.490 -5.799 1.00 0.00 C ATOM 527 NZ LYS A 31 -2.575 14.976 -5.730 1.00 0.00 N ATOM 0 H LYS A 31 2.982 10.851 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 31 0.637 11.588 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.268 13.113 -7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.482 11.788 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.652 11.088 -8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.573 11.177 -6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.673 13.777 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.135 12.812 -7.739 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.469 13.073 -5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.755 13.125 -5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.216 15.263 -4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.624 15.353 -5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.927 15.352 -6.634 1.00 0.00 H new ATOM 541 N ILE A 32 -0.003 9.207 -5.446 1.00 0.00 N ATOM 542 CA ILE A 32 -0.280 7.775 -5.478 1.00 0.00 C ATOM 543 C ILE A 32 -1.594 7.491 -6.198 1.00 0.00 C ATOM 544 O ILE A 32 -2.570 8.225 -6.041 1.00 0.00 O ATOM 545 CB ILE A 32 -0.346 7.180 -4.058 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.808 7.708 -3.204 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.313 5.661 -4.119 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.800 7.183 -1.785 1.00 0.00 C ATOM 0 H ILE A 32 -0.435 9.703 -4.666 1.00 0.00 H new ATOM 0 HA ILE A 32 0.541 7.305 -6.019 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.284 7.487 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.752 7.438 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.763 8.797 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.360 5.255 -3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.166 5.301 -4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.611 5.336 -4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.646 7.599 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.128 7.475 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.876 6.096 -1.799 1.00 0.00 H new ATOM 560 N LEU A 33 -1.613 6.424 -6.990 1.00 0.00 N ATOM 561 CA LEU A 33 -2.808 6.047 -7.735 1.00 0.00 C ATOM 562 C LEU A 33 -3.199 4.601 -7.450 1.00 0.00 C ATOM 563 O LEU A 33 -2.352 3.771 -7.118 1.00 0.00 O ATOM 564 CB LEU A 33 -2.581 6.242 -9.234 1.00 0.00 C ATOM 565 CG LEU A 33 -1.855 7.538 -9.615 1.00 0.00 C ATOM 566 CD1 LEU A 33 -0.518 7.236 -10.278 1.00 0.00 C ATOM 567 CD2 LEU A 33 -2.727 8.390 -10.526 1.00 0.00 C ATOM 0 H LEU A 33 -0.815 5.805 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.625 6.692 -7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.007 5.396 -9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.547 6.222 -9.738 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.659 8.100 -8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.022 8.171 -10.539 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.111 6.672 -9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.684 6.649 -11.181 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.196 9.306 -10.786 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.957 7.833 -11.434 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.654 8.642 -10.011 1.00 0.00 H new ATOM 579 N PHE A 34 -4.488 4.308 -7.582 1.00 0.00 N ATOM 580 CA PHE A 34 -4.999 2.964 -7.339 1.00 0.00 C ATOM 581 C PHE A 34 -5.979 2.551 -8.431 1.00 0.00 C ATOM 582 O PHE A 34 -6.902 3.294 -8.765 1.00 0.00 O ATOM 583 CB PHE A 34 -5.680 2.893 -5.970 1.00 0.00 C ATOM 584 CG PHE A 34 -5.169 1.784 -5.093 1.00 0.00 C ATOM 585 CD1 PHE A 34 -4.791 0.567 -5.636 1.00 0.00 C ATOM 586 CD2 PHE A 34 -5.067 1.962 -3.722 1.00 0.00 C ATOM 587 CE1 PHE A 34 -4.322 -0.452 -4.830 1.00 0.00 C ATOM 588 CE2 PHE A 34 -4.599 0.945 -2.911 1.00 0.00 C ATOM 589 CZ PHE A 34 -4.226 -0.263 -3.465 1.00 0.00 C ATOM 0 H PHE A 34 -5.200 4.985 -7.857 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.156 2.273 -7.352 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.540 3.844 -5.456 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.753 2.764 -6.115 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.864 0.413 -6.702 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.356 2.905 -3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.031 -1.396 -5.267 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.525 1.096 -1.844 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.860 -1.058 -2.833 1.00 0.00 H new ATOM 599 N TYR A 35 -5.773 1.359 -8.979 1.00 0.00 N ATOM 600 CA TYR A 35 -6.637 0.839 -10.033 1.00 0.00 C ATOM 601 C TYR A 35 -7.059 -0.594 -9.729 1.00 0.00 C ATOM 602 O TYR A 35 -6.591 -1.197 -8.764 1.00 0.00 O ATOM 603 CB TYR A 35 -5.921 0.897 -11.384 1.00 0.00 C ATOM 604 CG TYR A 35 -5.564 2.300 -11.822 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.536 3.001 -11.204 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.254 2.922 -12.855 1.00 0.00 C ATOM 607 CE1 TYR A 35 -4.207 4.283 -11.602 1.00 0.00 C ATOM 608 CE2 TYR A 35 -5.930 4.203 -13.259 1.00 0.00 C ATOM 609 CZ TYR A 35 -4.907 4.879 -12.630 1.00 0.00 C ATOM 610 OH TYR A 35 -4.581 6.155 -13.029 1.00 0.00 O ATOM 0 H TYR A 35 -5.014 0.733 -8.710 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.531 1.461 -10.078 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.011 0.300 -11.329 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.557 0.440 -12.142 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.985 2.537 -10.400 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.057 2.396 -13.350 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.406 4.815 -11.111 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.476 4.672 -14.064 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.168 6.428 -13.765 1.00 0.00 H new ATOM 620 N ASP A 36 -7.946 -1.133 -10.559 1.00 0.00 N ATOM 621 CA ASP A 36 -8.431 -2.496 -10.377 1.00 0.00 C ATOM 622 C ASP A 36 -7.975 -3.404 -11.516 1.00 0.00 C ATOM 623 O ASP A 36 -7.942 -4.627 -11.370 1.00 0.00 O ATOM 624 CB ASP A 36 -9.959 -2.507 -10.283 1.00 0.00 C ATOM 625 CG ASP A 36 -10.465 -3.454 -9.213 1.00 0.00 C ATOM 626 OD1 ASP A 36 -9.950 -4.589 -9.133 1.00 0.00 O ATOM 627 OD2 ASP A 36 -11.376 -3.062 -8.455 1.00 0.00 O ATOM 0 H ASP A 36 -8.343 -0.647 -11.363 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.010 -2.878 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.315 -1.499 -10.070 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.378 -2.795 -11.247 1.00 0.00 H new ATOM 632 N SER A 37 -7.623 -2.804 -12.650 1.00 0.00 N ATOM 633 CA SER A 37 -7.171 -3.570 -13.807 1.00 0.00 C ATOM 634 C SER A 37 -6.586 -2.652 -14.876 1.00 0.00 C ATOM 635 O SER A 37 -6.700 -1.429 -14.789 1.00 0.00 O ATOM 636 CB SER A 37 -8.329 -4.378 -14.392 1.00 0.00 C ATOM 637 OG SER A 37 -8.449 -5.637 -13.752 1.00 0.00 O ATOM 0 H SER A 37 -7.642 -1.794 -12.792 1.00 0.00 H new ATOM 0 HA SER A 37 -6.389 -4.253 -13.475 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.259 -3.820 -14.280 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.171 -4.524 -15.461 1.00 0.00 H new ATOM 0 HG SER A 37 -8.023 -5.598 -12.870 1.00 0.00 H new ATOM 643 N GLU A 38 -5.960 -3.252 -15.884 1.00 0.00 N ATOM 644 CA GLU A 38 -5.357 -2.491 -16.971 1.00 0.00 C ATOM 645 C GLU A 38 -6.426 -1.773 -17.789 1.00 0.00 C ATOM 646 O GLU A 38 -6.209 -0.663 -18.276 1.00 0.00 O ATOM 647 CB GLU A 38 -4.539 -3.414 -17.876 1.00 0.00 C ATOM 648 CG GLU A 38 -3.082 -3.535 -17.464 1.00 0.00 C ATOM 649 CD GLU A 38 -2.293 -2.269 -17.732 1.00 0.00 C ATOM 650 OE1 GLU A 38 -2.690 -1.501 -18.633 1.00 0.00 O ATOM 651 OE2 GLU A 38 -1.277 -2.046 -17.041 1.00 0.00 O ATOM 0 H GLU A 38 -5.858 -4.263 -15.970 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.695 -1.743 -16.535 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.992 -4.405 -17.874 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.589 -3.043 -18.900 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.027 -3.775 -16.402 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.624 -4.365 -18.002 1.00 0.00 H new ATOM 658 N GLN A 39 -7.581 -2.415 -17.935 1.00 0.00 N ATOM 659 CA GLN A 39 -8.685 -1.838 -18.694 1.00 0.00 C ATOM 660 C GLN A 39 -9.123 -0.508 -18.089 1.00 0.00 C ATOM 661 O GLN A 39 -9.394 0.453 -18.808 1.00 0.00 O ATOM 662 CB GLN A 39 -9.867 -2.808 -18.732 1.00 0.00 C ATOM 663 CG GLN A 39 -10.374 -3.203 -17.354 1.00 0.00 C ATOM 664 CD GLN A 39 -10.924 -4.616 -17.319 1.00 0.00 C ATOM 665 OE1 GLN A 39 -12.107 -4.827 -17.053 1.00 0.00 O ATOM 666 NE2 GLN A 39 -10.065 -5.593 -17.587 1.00 0.00 N ATOM 0 H GLN A 39 -7.777 -3.334 -17.538 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.339 -1.658 -19.712 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.683 -2.352 -19.293 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.571 -3.707 -19.273 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.561 -3.115 -16.633 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.152 -2.506 -17.044 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.093 -5.372 -17.803 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.378 -6.564 -17.577 1.00 0.00 H new ATOM 675 N ASP A 40 -9.189 -0.461 -16.762 1.00 0.00 N ATOM 676 CA ASP A 40 -9.592 0.750 -16.060 1.00 0.00 C ATOM 677 C ASP A 40 -8.496 1.809 -16.132 1.00 0.00 C ATOM 678 O ASP A 40 -8.776 3.008 -16.150 1.00 0.00 O ATOM 679 CB ASP A 40 -9.916 0.434 -14.598 1.00 0.00 C ATOM 680 CG ASP A 40 -11.042 1.292 -14.057 1.00 0.00 C ATOM 681 OD1 ASP A 40 -10.993 2.526 -14.247 1.00 0.00 O ATOM 682 OD2 ASP A 40 -11.973 0.730 -13.441 1.00 0.00 O ATOM 0 H ASP A 40 -8.968 -1.248 -16.152 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.485 1.142 -16.546 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.189 -0.617 -14.508 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.024 0.585 -13.990 1.00 0.00 H new ATOM 687 N LYS A 41 -7.247 1.357 -16.175 1.00 0.00 N ATOM 688 CA LYS A 41 -6.107 2.264 -16.247 1.00 0.00 C ATOM 689 C LYS A 41 -6.100 3.023 -17.569 1.00 0.00 C ATOM 690 O LYS A 41 -5.905 4.238 -17.598 1.00 0.00 O ATOM 691 CB LYS A 41 -4.800 1.488 -16.083 1.00 0.00 C ATOM 692 CG LYS A 41 -3.742 2.238 -15.291 1.00 0.00 C ATOM 693 CD LYS A 41 -3.019 3.259 -16.155 1.00 0.00 C ATOM 694 CE LYS A 41 -1.809 2.650 -16.843 1.00 0.00 C ATOM 695 NZ LYS A 41 -0.571 2.802 -16.030 1.00 0.00 N ATOM 0 H LYS A 41 -6.998 0.368 -16.161 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.196 2.986 -15.435 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.010 0.541 -15.587 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.402 1.250 -17.070 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.209 2.741 -14.444 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.021 1.530 -14.883 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.705 3.653 -16.905 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.703 4.100 -15.538 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.992 1.592 -17.030 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.666 3.125 -17.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.255 2.847 -16.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.628 3.677 -15.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.474 1.988 -15.390 1.00 0.00 H new ATOM 709 N GLU A 42 -6.314 2.299 -18.663 1.00 0.00 N ATOM 710 CA GLU A 42 -6.333 2.904 -19.989 1.00 0.00 C ATOM 711 C GLU A 42 -7.408 3.982 -20.081 1.00 0.00 C ATOM 712 O GLU A 42 -7.276 4.942 -20.839 1.00 0.00 O ATOM 713 CB GLU A 42 -6.576 1.835 -21.056 1.00 0.00 C ATOM 714 CG GLU A 42 -5.721 0.590 -20.876 1.00 0.00 C ATOM 715 CD GLU A 42 -4.941 0.231 -22.125 1.00 0.00 C ATOM 716 OE1 GLU A 42 -5.519 -0.422 -23.020 1.00 0.00 O ATOM 717 OE2 GLU A 42 -3.750 0.601 -22.209 1.00 0.00 O ATOM 0 H GLU A 42 -6.477 1.292 -18.657 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.362 3.368 -20.162 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.628 1.549 -21.039 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.378 2.263 -22.039 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.026 0.748 -20.051 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.360 -0.248 -20.598 1.00 0.00 H new ATOM 724 N GLN A 43 -8.473 3.818 -19.301 1.00 0.00 N ATOM 725 CA GLN A 43 -9.571 4.779 -19.294 1.00 0.00 C ATOM 726 C GLN A 43 -9.228 6.008 -18.452 1.00 0.00 C ATOM 727 O GLN A 43 -10.005 6.961 -18.390 1.00 0.00 O ATOM 728 CB GLN A 43 -10.846 4.119 -18.763 1.00 0.00 C ATOM 729 CG GLN A 43 -11.955 4.019 -19.799 1.00 0.00 C ATOM 730 CD GLN A 43 -12.688 5.332 -19.995 1.00 0.00 C ATOM 731 OE1 GLN A 43 -13.748 5.557 -19.413 1.00 0.00 O ATOM 732 NE2 GLN A 43 -12.124 6.206 -20.821 1.00 0.00 N ATOM 0 H GLN A 43 -8.599 3.029 -18.666 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.736 5.107 -20.320 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.605 3.119 -18.403 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.210 4.687 -17.907 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.531 3.698 -20.750 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.666 3.252 -19.492 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.244 5.977 -21.282 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.571 7.106 -20.994 1.00 0.00 H new ATOM 741 N SER A 44 -8.066 5.985 -17.805 1.00 0.00 N ATOM 742 CA SER A 44 -7.633 7.101 -16.970 1.00 0.00 C ATOM 743 C SER A 44 -8.592 7.311 -15.803 1.00 0.00 C ATOM 744 O SER A 44 -8.777 8.435 -15.334 1.00 0.00 O ATOM 745 CB SER A 44 -7.533 8.380 -17.803 1.00 0.00 C ATOM 746 OG SER A 44 -6.369 9.117 -17.470 1.00 0.00 O ATOM 0 H SER A 44 -7.408 5.207 -17.843 1.00 0.00 H new ATOM 0 HA SER A 44 -6.649 6.862 -16.568 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.516 8.127 -18.863 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.417 8.996 -17.637 1.00 0.00 H new ATOM 0 HG SER A 44 -6.328 9.929 -18.017 1.00 0.00 H new ATOM 752 N ASN A 45 -9.199 6.224 -15.338 1.00 0.00 N ATOM 753 CA ASN A 45 -10.138 6.290 -14.225 1.00 0.00 C ATOM 754 C ASN A 45 -9.571 5.587 -12.993 1.00 0.00 C ATOM 755 O ASN A 45 -9.825 4.402 -12.771 1.00 0.00 O ATOM 756 CB ASN A 45 -11.474 5.657 -14.621 1.00 0.00 C ATOM 757 CG ASN A 45 -12.661 6.508 -14.212 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.474 6.103 -13.383 1.00 0.00 O ATOM 759 ND2 ASN A 45 -12.766 7.697 -14.797 1.00 0.00 N ATOM 0 H ASN A 45 -9.057 5.287 -15.715 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.301 7.339 -13.979 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.495 5.504 -15.700 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.559 4.674 -14.158 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.544 8.313 -14.563 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.068 7.993 -15.480 1.00 0.00 H new ATOM 766 N PRO A 46 -8.792 6.312 -12.173 1.00 0.00 N ATOM 767 CA PRO A 46 -8.187 5.752 -10.959 1.00 0.00 C ATOM 768 C PRO A 46 -9.221 5.461 -9.876 1.00 0.00 C ATOM 769 O PRO A 46 -9.956 6.352 -9.450 1.00 0.00 O ATOM 770 CB PRO A 46 -7.228 6.851 -10.499 1.00 0.00 C ATOM 771 CG PRO A 46 -7.797 8.110 -11.057 1.00 0.00 C ATOM 772 CD PRO A 46 -8.438 7.731 -12.363 1.00 0.00 C ATOM 0 HA PRO A 46 -7.700 4.796 -11.152 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.166 6.893 -9.412 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.218 6.675 -10.869 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.528 8.544 -10.375 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.018 8.858 -11.207 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.318 8.340 -12.570 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.753 7.865 -13.200 1.00 0.00 H new ATOM 780 N TYR A 47 -9.270 4.209 -9.432 1.00 0.00 N ATOM 781 CA TYR A 47 -10.211 3.800 -8.396 1.00 0.00 C ATOM 782 C TYR A 47 -10.010 4.624 -7.128 1.00 0.00 C ATOM 783 O TYR A 47 -10.969 4.964 -6.435 1.00 0.00 O ATOM 784 CB TYR A 47 -10.041 2.311 -8.085 1.00 0.00 C ATOM 785 CG TYR A 47 -11.018 1.790 -7.054 1.00 0.00 C ATOM 786 CD1 TYR A 47 -12.388 1.888 -7.257 1.00 0.00 C ATOM 787 CD2 TYR A 47 -10.568 1.199 -5.881 1.00 0.00 C ATOM 788 CE1 TYR A 47 -13.284 1.412 -6.318 1.00 0.00 C ATOM 789 CE2 TYR A 47 -11.457 0.720 -4.937 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.814 0.829 -5.160 1.00 0.00 C ATOM 791 OH TYR A 47 -13.701 0.353 -4.223 1.00 0.00 O ATOM 0 H TYR A 47 -8.668 3.460 -9.774 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.222 3.973 -8.765 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.160 1.741 -9.006 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.025 2.136 -7.731 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.760 2.343 -8.163 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.506 1.112 -5.703 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -14.347 1.496 -6.490 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.091 0.263 -4.030 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.206 -0.028 -3.468 1.00 0.00 H new ATOM 801 N MET A 48 -8.755 4.943 -6.835 1.00 0.00 N ATOM 802 CA MET A 48 -8.417 5.731 -5.656 1.00 0.00 C ATOM 803 C MET A 48 -7.064 6.409 -5.836 1.00 0.00 C ATOM 804 O MET A 48 -6.104 5.784 -6.285 1.00 0.00 O ATOM 805 CB MET A 48 -8.399 4.844 -4.410 1.00 0.00 C ATOM 806 CG MET A 48 -8.517 5.620 -3.109 1.00 0.00 C ATOM 807 SD MET A 48 -8.332 4.570 -1.655 1.00 0.00 S ATOM 808 CE MET A 48 -6.556 4.334 -1.631 1.00 0.00 C ATOM 0 H MET A 48 -7.952 4.667 -7.400 1.00 0.00 H new ATOM 0 HA MET A 48 -9.178 6.501 -5.528 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.219 4.128 -4.472 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.473 4.268 -4.397 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.758 6.402 -3.087 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.487 6.116 -3.073 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.321 3.312 -1.927 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.087 5.030 -2.326 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.178 4.516 -0.625 1.00 0.00 H new ATOM 818 N VAL A 49 -6.990 7.688 -5.489 1.00 0.00 N ATOM 819 CA VAL A 49 -5.748 8.439 -5.623 1.00 0.00 C ATOM 820 C VAL A 49 -5.376 9.137 -4.319 1.00 0.00 C ATOM 821 O VAL A 49 -6.172 9.889 -3.755 1.00 0.00 O ATOM 822 CB VAL A 49 -5.844 9.485 -6.751 1.00 0.00 C ATOM 823 CG1 VAL A 49 -6.946 10.492 -6.459 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.508 10.188 -6.948 1.00 0.00 C ATOM 0 H VAL A 49 -7.772 8.225 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.970 7.718 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.095 8.966 -7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.996 11.221 -7.268 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.901 9.973 -6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.731 11.005 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.598 10.922 -7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.222 10.691 -6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.746 9.454 -7.212 1.00 0.00 H new ATOM 834 N LEU A 50 -4.158 8.887 -3.852 1.00 0.00 N ATOM 835 CA LEU A 50 -3.668 9.493 -2.620 1.00 0.00 C ATOM 836 C LEU A 50 -2.544 10.479 -2.918 1.00 0.00 C ATOM 837 O LEU A 50 -1.872 10.375 -3.943 1.00 0.00 O ATOM 838 CB LEU A 50 -3.173 8.413 -1.654 1.00 0.00 C ATOM 839 CG LEU A 50 -4.067 7.174 -1.551 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.347 5.944 -2.084 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.508 6.952 -0.111 1.00 0.00 C ATOM 0 H LEU A 50 -3.490 8.267 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.492 10.033 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.177 8.098 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.073 8.853 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.954 7.342 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.000 5.076 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.083 6.101 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.441 5.773 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.142 6.067 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.631 6.809 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.067 7.821 0.236 1.00 0.00 H new ATOM 853 N ASP A 51 -2.347 11.437 -2.020 1.00 0.00 N ATOM 854 CA ASP A 51 -1.304 12.442 -2.193 1.00 0.00 C ATOM 855 C ASP A 51 -0.025 12.031 -1.470 1.00 0.00 C ATOM 856 O ASP A 51 -0.001 11.924 -0.244 1.00 0.00 O ATOM 857 CB ASP A 51 -1.784 13.799 -1.677 1.00 0.00 C ATOM 858 CG ASP A 51 -2.939 14.351 -2.489 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.811 13.556 -2.898 1.00 0.00 O ATOM 860 OD2 ASP A 51 -2.973 15.580 -2.714 1.00 0.00 O ATOM 0 H ASP A 51 -2.895 11.539 -1.166 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.086 12.523 -3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.090 13.701 -0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.956 14.507 -1.701 1.00 0.00 H new ATOM 865 N ILE A 52 1.037 11.803 -2.238 1.00 0.00 N ATOM 866 CA ILE A 52 2.321 11.406 -1.670 1.00 0.00 C ATOM 867 C ILE A 52 2.815 12.441 -0.659 1.00 0.00 C ATOM 868 O ILE A 52 3.531 12.107 0.285 1.00 0.00 O ATOM 869 CB ILE A 52 3.387 11.212 -2.773 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.001 10.037 -3.675 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.764 10.988 -2.161 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.066 9.673 -4.689 1.00 0.00 C ATOM 0 H ILE A 52 1.033 11.886 -3.255 1.00 0.00 H new ATOM 0 HA ILE A 52 2.168 10.455 -1.160 1.00 0.00 H new ATOM 0 HB ILE A 52 3.430 12.118 -3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.791 9.167 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.079 10.282 -4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.498 10.854 -2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.038 11.852 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.743 10.097 -1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.722 8.833 -5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.260 10.529 -5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.983 9.396 -4.170 1.00 0.00 H new ATOM 884 N ASP A 53 2.426 13.695 -0.864 1.00 0.00 N ATOM 885 CA ASP A 53 2.829 14.774 0.030 1.00 0.00 C ATOM 886 C ASP A 53 2.025 14.740 1.329 1.00 0.00 C ATOM 887 O ASP A 53 2.479 15.229 2.362 1.00 0.00 O ATOM 888 CB ASP A 53 2.649 16.128 -0.658 1.00 0.00 C ATOM 889 CG ASP A 53 3.142 17.281 0.195 1.00 0.00 C ATOM 890 OD1 ASP A 53 2.592 17.481 1.298 1.00 0.00 O ATOM 891 OD2 ASP A 53 4.077 17.985 -0.241 1.00 0.00 O ATOM 0 H ASP A 53 1.833 13.989 -1.640 1.00 0.00 H new ATOM 0 HA ASP A 53 3.882 14.633 0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.187 16.125 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.595 16.277 -0.891 1.00 0.00 H new ATOM 896 N LYS A 54 0.830 14.161 1.267 1.00 0.00 N ATOM 897 CA LYS A 54 -0.036 14.067 2.438 1.00 0.00 C ATOM 898 C LYS A 54 0.402 12.934 3.366 1.00 0.00 C ATOM 899 O LYS A 54 0.009 12.891 4.531 1.00 0.00 O ATOM 900 CB LYS A 54 -1.488 13.854 2.009 1.00 0.00 C ATOM 901 CG LYS A 54 -2.199 15.139 1.612 1.00 0.00 C ATOM 902 CD LYS A 54 -3.673 15.100 1.985 1.00 0.00 C ATOM 903 CE LYS A 54 -3.974 16.018 3.160 1.00 0.00 C ATOM 904 NZ LYS A 54 -5.439 16.170 3.383 1.00 0.00 N ATOM 0 H LYS A 54 0.439 13.750 0.419 1.00 0.00 H new ATOM 0 HA LYS A 54 0.044 15.006 2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.512 13.160 1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.035 13.383 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.721 15.987 2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.099 15.294 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.275 15.397 1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.959 14.079 2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.509 15.619 4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.530 16.997 2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.603 16.803 4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.880 16.574 2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.858 15.239 3.581 1.00 0.00 H new ATOM 918 N LEU A 55 1.214 12.015 2.844 1.00 0.00 N ATOM 919 CA LEU A 55 1.696 10.884 3.633 1.00 0.00 C ATOM 920 C LEU A 55 2.302 11.353 4.953 1.00 0.00 C ATOM 921 O LEU A 55 2.801 12.474 5.055 1.00 0.00 O ATOM 922 CB LEU A 55 2.732 10.083 2.842 1.00 0.00 C ATOM 923 CG LEU A 55 2.227 9.460 1.537 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.232 8.449 1.009 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.872 8.802 1.744 1.00 0.00 C ATOM 0 H LEU A 55 1.550 12.032 1.881 1.00 0.00 H new ATOM 0 HA LEU A 55 0.842 10.244 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.572 10.738 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.115 9.287 3.480 1.00 0.00 H new ATOM 0 HG LEU A 55 2.112 10.255 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.859 8.015 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.183 8.946 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.376 7.660 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.532 8.366 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.959 8.019 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.152 9.549 2.079 1.00 0.00 H new ATOM 937 N PHE A 56 2.256 10.488 5.960 1.00 0.00 N ATOM 938 CA PHE A 56 2.801 10.812 7.272 1.00 0.00 C ATOM 939 C PHE A 56 4.010 9.938 7.589 1.00 0.00 C ATOM 940 O PHE A 56 4.987 10.403 8.177 1.00 0.00 O ATOM 941 CB PHE A 56 1.732 10.632 8.351 1.00 0.00 C ATOM 942 CG PHE A 56 0.761 11.775 8.429 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.205 13.061 8.695 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.594 11.564 8.236 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.314 14.115 8.766 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.490 12.614 8.307 1.00 0.00 C ATOM 947 CZ PHE A 56 -1.036 13.892 8.572 1.00 0.00 C ATOM 0 H PHE A 56 1.846 9.556 5.892 1.00 0.00 H new ATOM 0 HA PHE A 56 3.121 11.854 7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.182 9.711 8.156 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.220 10.513 9.318 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.259 13.241 8.848 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.955 10.568 8.028 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.673 15.113 8.973 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.544 12.436 8.155 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.734 14.714 8.627 1.00 0.00 H new ATOM 957 N HIS A 57 3.940 8.670 7.197 1.00 0.00 N ATOM 958 CA HIS A 57 5.031 7.735 7.440 1.00 0.00 C ATOM 959 C HIS A 57 4.726 6.366 6.841 1.00 0.00 C ATOM 960 O HIS A 57 3.602 5.872 6.932 1.00 0.00 O ATOM 961 CB HIS A 57 5.289 7.601 8.943 1.00 0.00 C ATOM 962 CG HIS A 57 6.742 7.555 9.300 1.00 0.00 C ATOM 963 ND1 HIS A 57 7.294 6.566 10.087 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.762 8.384 8.973 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.588 6.789 10.230 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.898 7.886 9.563 1.00 0.00 N ATOM 0 H HIS A 57 3.139 8.267 6.710 1.00 0.00 H new ATOM 0 HA HIS A 57 5.925 8.129 6.956 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.823 8.440 9.459 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.805 6.695 9.307 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.695 9.272 8.362 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.276 6.178 10.796 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.829 8.297 9.497 1.00 0.00 H new ATOM 975 N VAL A 58 5.738 5.757 6.230 1.00 0.00 N ATOM 976 CA VAL A 58 5.587 4.443 5.618 1.00 0.00 C ATOM 977 C VAL A 58 6.593 3.457 6.200 1.00 0.00 C ATOM 978 O VAL A 58 7.788 3.749 6.275 1.00 0.00 O ATOM 979 CB VAL A 58 5.775 4.508 4.091 1.00 0.00 C ATOM 980 CG1 VAL A 58 5.427 3.172 3.452 1.00 0.00 C ATOM 981 CG2 VAL A 58 4.935 5.629 3.493 1.00 0.00 C ATOM 0 H VAL A 58 6.674 6.155 6.146 1.00 0.00 H new ATOM 0 HA VAL A 58 4.574 4.104 5.835 1.00 0.00 H new ATOM 0 HB VAL A 58 6.823 4.722 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.566 3.238 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.077 2.396 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.388 2.924 3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.082 5.658 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.882 5.451 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.239 6.582 3.926 1.00 0.00 H new ATOM 991 N ARG A 59 6.109 2.292 6.616 1.00 0.00 N ATOM 992 CA ARG A 59 6.977 1.273 7.197 1.00 0.00 C ATOM 993 C ARG A 59 6.308 -0.100 7.172 1.00 0.00 C ATOM 994 O ARG A 59 5.081 -0.202 7.136 1.00 0.00 O ATOM 995 CB ARG A 59 7.342 1.648 8.635 1.00 0.00 C ATOM 996 CG ARG A 59 6.133 1.919 9.517 1.00 0.00 C ATOM 997 CD ARG A 59 6.319 3.178 10.349 1.00 0.00 C ATOM 998 NE ARG A 59 5.154 3.460 11.183 1.00 0.00 N ATOM 999 CZ ARG A 59 3.995 3.913 10.710 1.00 0.00 C ATOM 1000 NH1 ARG A 59 3.844 4.139 9.410 1.00 0.00 N ATOM 1001 NH2 ARG A 59 2.984 4.142 11.537 1.00 0.00 N ATOM 0 H ARG A 59 5.125 2.030 6.562 1.00 0.00 H new ATOM 0 HA ARG A 59 7.885 1.222 6.596 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.929 0.841 9.075 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.977 2.534 8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.244 2.021 8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.965 1.068 10.177 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.200 3.067 10.982 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.505 4.025 9.688 1.00 0.00 H new ATOM 0 HE ARG A 59 5.233 3.300 12.187 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.618 3.965 8.769 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.954 4.486 9.053 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.094 3.971 12.537 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.096 4.489 11.174 1.00 0.00 H new ATOM 1015 N PRO A 60 7.111 -1.178 7.195 1.00 0.00 N ATOM 1016 CA PRO A 60 6.595 -2.551 7.178 1.00 0.00 C ATOM 1017 C PRO A 60 5.742 -2.860 8.403 1.00 0.00 C ATOM 1018 O PRO A 60 5.939 -2.281 9.472 1.00 0.00 O ATOM 1019 CB PRO A 60 7.859 -3.418 7.175 1.00 0.00 C ATOM 1020 CG PRO A 60 8.938 -2.531 7.695 1.00 0.00 C ATOM 1021 CD PRO A 60 8.584 -1.145 7.240 1.00 0.00 C ATOM 0 HA PRO A 60 5.945 -2.728 6.321 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.735 -4.299 7.805 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.091 -3.774 6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.996 -2.583 8.782 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.912 -2.832 7.309 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.950 -0.387 7.932 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.013 -0.919 6.264 1.00 0.00 H new ATOM 1029 N VAL A 61 4.794 -3.776 8.241 1.00 0.00 N ATOM 1030 CA VAL A 61 3.911 -4.163 9.335 1.00 0.00 C ATOM 1031 C VAL A 61 4.444 -5.391 10.066 1.00 0.00 C ATOM 1032 O VAL A 61 5.331 -6.085 9.568 1.00 0.00 O ATOM 1033 CB VAL A 61 2.484 -4.456 8.832 1.00 0.00 C ATOM 1034 CG1 VAL A 61 1.863 -3.207 8.227 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.493 -5.598 7.826 1.00 0.00 C ATOM 0 H VAL A 61 4.617 -4.264 7.363 1.00 0.00 H new ATOM 0 HA VAL A 61 3.877 -3.320 10.025 1.00 0.00 H new ATOM 0 HB VAL A 61 1.875 -4.760 9.684 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.856 -3.434 7.878 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.817 -2.422 8.981 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.470 -2.869 7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.476 -5.789 7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.118 -5.328 6.975 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.891 -6.496 8.298 1.00 0.00 H new ATOM 1045 N THR A 62 3.896 -5.652 11.248 1.00 0.00 N ATOM 1046 CA THR A 62 4.316 -6.798 12.048 1.00 0.00 C ATOM 1047 C THR A 62 3.193 -7.824 12.156 1.00 0.00 C ATOM 1048 O THR A 62 2.099 -7.619 11.631 1.00 0.00 O ATOM 1049 CB THR A 62 4.745 -6.343 13.443 1.00 0.00 C ATOM 1050 OG1 THR A 62 3.644 -5.810 14.157 1.00 0.00 O ATOM 1051 CG2 THR A 62 5.832 -5.290 13.421 1.00 0.00 C ATOM 0 H THR A 62 3.161 -5.087 11.673 1.00 0.00 H new ATOM 0 HA THR A 62 5.165 -7.266 11.551 1.00 0.00 H new ATOM 0 HB THR A 62 5.137 -7.236 13.931 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.963 -5.382 14.979 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.090 -5.012 14.443 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.714 -5.688 12.920 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.476 -4.411 12.884 1.00 0.00 H new ATOM 1059 N GLN A 63 3.471 -8.928 12.842 1.00 0.00 N ATOM 1060 CA GLN A 63 2.483 -9.987 13.020 1.00 0.00 C ATOM 1061 C GLN A 63 1.226 -9.456 13.704 1.00 0.00 C ATOM 1062 O GLN A 63 0.150 -10.041 13.582 1.00 0.00 O ATOM 1063 CB GLN A 63 3.073 -11.136 13.837 1.00 0.00 C ATOM 1064 CG GLN A 63 2.167 -12.355 13.915 1.00 0.00 C ATOM 1065 CD GLN A 63 2.348 -13.291 12.737 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.433 -13.831 12.518 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.283 -13.490 11.969 1.00 0.00 N ATOM 0 H GLN A 63 4.372 -9.113 13.284 1.00 0.00 H new ATOM 0 HA GLN A 63 2.208 -10.356 12.032 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.027 -11.430 13.399 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.281 -10.783 14.847 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.371 -12.896 14.839 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.128 -12.029 13.959 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.403 -13.022 12.186 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.345 -14.110 11.162 1.00 0.00 H new ATOM 1076 N THR A 64 1.366 -8.347 14.424 1.00 0.00 N ATOM 1077 CA THR A 64 0.237 -7.744 15.125 1.00 0.00 C ATOM 1078 C THR A 64 -0.764 -7.145 14.141 1.00 0.00 C ATOM 1079 O THR A 64 -1.958 -7.060 14.432 1.00 0.00 O ATOM 1080 CB THR A 64 0.730 -6.663 16.089 1.00 0.00 C ATOM 1081 OG1 THR A 64 1.488 -5.685 15.400 1.00 0.00 O ATOM 1082 CG2 THR A 64 1.591 -7.207 17.208 1.00 0.00 C ATOM 0 H THR A 64 2.248 -7.848 14.537 1.00 0.00 H new ATOM 0 HA THR A 64 -0.266 -8.528 15.691 1.00 0.00 H new ATOM 0 HB THR A 64 -0.171 -6.230 16.523 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.345 -6.071 15.123 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.907 -6.389 17.855 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.018 -7.929 17.790 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.469 -7.696 16.786 1.00 0.00 H new ATOM 1090 N ASP A 65 -0.271 -6.727 12.980 1.00 0.00 N ATOM 1091 CA ASP A 65 -1.124 -6.134 11.957 1.00 0.00 C ATOM 1092 C ASP A 65 -2.163 -7.135 11.458 1.00 0.00 C ATOM 1093 O ASP A 65 -3.250 -6.752 11.027 1.00 0.00 O ATOM 1094 CB ASP A 65 -0.278 -5.636 10.784 1.00 0.00 C ATOM 1095 CG ASP A 65 -1.040 -4.682 9.884 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.093 -3.477 10.206 1.00 0.00 O ATOM 1097 OD2 ASP A 65 -1.585 -5.142 8.859 1.00 0.00 O ATOM 0 H ASP A 65 0.715 -6.788 12.724 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.648 -5.290 12.406 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.612 -5.136 11.168 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.063 -6.489 10.198 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.821 -8.418 11.518 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.725 -9.471 11.070 1.00 0.00 C ATOM 1104 C VAL A 66 -2.794 -10.607 12.085 1.00 0.00 C ATOM 1105 O VAL A 66 -2.201 -10.531 13.160 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.294 -10.041 9.703 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -2.854 -9.195 8.572 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.777 -10.135 9.609 1.00 0.00 C ATOM 0 H VAL A 66 -0.925 -8.753 11.872 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.711 -9.018 10.970 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.700 -11.048 9.610 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.540 -9.612 7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.943 -9.190 8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.482 -8.174 8.662 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.497 -10.540 8.636 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.343 -9.142 9.728 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.404 -10.791 10.396 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.525 -11.659 11.735 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.676 -12.815 12.612 1.00 0.00 C ATOM 1120 C TYR A 67 -3.697 -14.102 11.795 1.00 0.00 C ATOM 1121 O TYR A 67 -2.778 -14.918 11.877 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.960 -12.700 13.442 1.00 0.00 C ATOM 1123 CG TYR A 67 -5.553 -11.307 13.465 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.215 -10.797 12.356 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -5.446 -10.504 14.593 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -6.753 -9.526 12.368 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -5.982 -9.231 14.613 1.00 0.00 C ATOM 1128 CZ TYR A 67 -6.634 -8.746 13.499 1.00 0.00 C ATOM 1129 OH TYR A 67 -7.169 -7.478 13.516 1.00 0.00 O ATOM 0 H TYR A 67 -4.023 -11.736 10.848 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.824 -12.841 13.291 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.701 -13.393 13.044 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.749 -13.011 14.465 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.311 -11.405 11.469 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.936 -10.880 15.468 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.264 -9.144 11.497 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.891 -8.618 15.498 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.999 -7.063 14.387 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.747 -14.271 10.999 1.00 0.00 N ATOM 1140 CA ARG A 68 -4.884 -15.455 10.157 1.00 0.00 C ATOM 1141 C ARG A 68 -3.780 -15.506 9.103 1.00 0.00 C ATOM 1142 O ARG A 68 -3.530 -16.552 8.504 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.257 -15.479 9.477 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.617 -14.187 8.756 1.00 0.00 C ATOM 1145 CD ARG A 68 -5.997 -14.121 7.367 1.00 0.00 C ATOM 1146 NE ARG A 68 -6.299 -15.308 6.569 1.00 0.00 N ATOM 1147 CZ ARG A 68 -5.779 -15.541 5.365 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -4.938 -14.672 4.819 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -6.102 -16.646 4.705 1.00 0.00 N ATOM 0 H ARG A 68 -5.515 -13.605 10.919 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.793 -16.332 10.798 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.282 -16.301 8.761 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.019 -15.688 10.228 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.701 -14.107 8.674 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.278 -13.335 9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.364 -13.235 6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.916 -14.012 7.458 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.944 -15.997 6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.687 -13.821 5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.543 -14.855 3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.749 -17.317 5.120 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.704 -16.824 3.783 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.123 -14.370 8.880 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.047 -14.286 7.899 1.00 0.00 C ATOM 1165 C ALA A 69 -0.957 -15.315 8.185 1.00 0.00 C ATOM 1166 O ALA A 69 -1.123 -16.189 9.037 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.462 -12.882 7.886 1.00 0.00 C ATOM 0 H ALA A 69 -3.318 -13.495 9.367 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.464 -14.507 6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.659 -12.829 7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.241 -12.166 7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.066 -12.644 8.873 1.00 0.00 H new ATOM 1173 N ASP A 70 0.157 -15.205 7.469 1.00 0.00 N ATOM 1174 CA ASP A 70 1.275 -16.126 7.645 1.00 0.00 C ATOM 1175 C ASP A 70 2.546 -15.370 8.018 1.00 0.00 C ATOM 1176 O ASP A 70 2.843 -14.320 7.452 1.00 0.00 O ATOM 1177 CB ASP A 70 1.503 -16.935 6.368 1.00 0.00 C ATOM 1178 CG ASP A 70 2.079 -18.309 6.650 1.00 0.00 C ATOM 1179 OD1 ASP A 70 1.924 -18.794 7.790 1.00 0.00 O ATOM 1180 OD2 ASP A 70 2.684 -18.899 5.731 1.00 0.00 O ATOM 0 H ASP A 70 0.310 -14.487 6.761 1.00 0.00 H new ATOM 0 HA ASP A 70 1.028 -16.809 8.458 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.558 -17.042 5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.179 -16.388 5.711 1.00 0.00 H new ATOM 1185 N ALA A 71 3.293 -15.915 8.975 1.00 0.00 N ATOM 1186 CA ALA A 71 4.535 -15.296 9.429 1.00 0.00 C ATOM 1187 C ALA A 71 5.434 -14.925 8.252 1.00 0.00 C ATOM 1188 O ALA A 71 6.226 -13.985 8.336 1.00 0.00 O ATOM 1189 CB ALA A 71 5.268 -16.227 10.381 1.00 0.00 C ATOM 0 H ALA A 71 3.059 -16.786 9.452 1.00 0.00 H new ATOM 0 HA ALA A 71 4.280 -14.377 9.957 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.192 -15.754 10.713 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.637 -16.435 11.245 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.501 -17.161 9.869 1.00 0.00 H new ATOM 1195 N LYS A 72 5.307 -15.667 7.158 1.00 0.00 N ATOM 1196 CA LYS A 72 6.110 -15.415 5.966 1.00 0.00 C ATOM 1197 C LYS A 72 5.589 -14.198 5.208 1.00 0.00 C ATOM 1198 O LYS A 72 6.356 -13.476 4.571 1.00 0.00 O ATOM 1199 CB LYS A 72 6.102 -16.642 5.052 1.00 0.00 C ATOM 1200 CG LYS A 72 6.770 -17.861 5.665 1.00 0.00 C ATOM 1201 CD LYS A 72 6.492 -19.118 4.855 1.00 0.00 C ATOM 1202 CE LYS A 72 6.082 -20.278 5.748 1.00 0.00 C ATOM 1203 NZ LYS A 72 7.138 -20.618 6.740 1.00 0.00 N ATOM 0 H LYS A 72 4.656 -16.448 7.071 1.00 0.00 H new ATOM 0 HA LYS A 72 7.133 -15.213 6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.071 -16.891 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.606 -16.393 4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.846 -17.696 5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.412 -17.998 6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.702 -18.918 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.382 -19.391 4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.161 -20.024 6.272 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.868 -21.152 5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.879 -21.494 7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.045 -20.753 6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.229 -19.844 7.429 1.00 0.00 H new ATOM 1217 N GLU A 73 4.280 -13.977 5.282 1.00 0.00 N ATOM 1218 CA GLU A 73 3.655 -12.848 4.602 1.00 0.00 C ATOM 1219 C GLU A 73 3.846 -11.555 5.391 1.00 0.00 C ATOM 1220 O GLU A 73 3.947 -10.474 4.810 1.00 0.00 O ATOM 1221 CB GLU A 73 2.163 -13.115 4.393 1.00 0.00 C ATOM 1222 CG GLU A 73 1.878 -14.357 3.566 1.00 0.00 C ATOM 1223 CD GLU A 73 2.589 -14.342 2.226 1.00 0.00 C ATOM 1224 OE1 GLU A 73 2.986 -13.247 1.777 1.00 0.00 O ATOM 1225 OE2 GLU A 73 2.748 -15.427 1.626 1.00 0.00 O ATOM 0 H GLU A 73 3.632 -14.565 5.806 1.00 0.00 H new ATOM 0 HA GLU A 73 4.138 -12.732 3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.681 -13.217 5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.713 -12.251 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.185 -15.240 4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.804 -14.441 3.402 1.00 0.00 H new ATOM 1232 N ILE A 74 3.888 -11.671 6.715 1.00 0.00 N ATOM 1233 CA ILE A 74 4.060 -10.508 7.583 1.00 0.00 C ATOM 1234 C ILE A 74 5.185 -9.593 7.090 1.00 0.00 C ATOM 1235 O ILE A 74 4.978 -8.393 6.909 1.00 0.00 O ATOM 1236 CB ILE A 74 4.345 -10.922 9.042 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.307 -11.939 9.527 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.354 -9.700 9.948 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.875 -11.497 9.313 1.00 0.00 C ATOM 0 H ILE A 74 3.805 -12.558 7.211 1.00 0.00 H new ATOM 0 HA ILE A 74 3.119 -9.960 7.548 1.00 0.00 H new ATOM 0 HB ILE A 74 5.329 -11.390 9.080 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.467 -12.884 9.008 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.465 -12.128 10.589 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.556 -10.009 10.974 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.129 -9.008 9.618 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.383 -9.206 9.903 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.198 -12.268 9.681 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.696 -10.568 9.855 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.699 -11.336 8.249 1.00 0.00 H new ATOM 1251 N PRO A 75 6.396 -10.140 6.866 1.00 0.00 N ATOM 1252 CA PRO A 75 7.539 -9.349 6.396 1.00 0.00 C ATOM 1253 C PRO A 75 7.345 -8.820 4.976 1.00 0.00 C ATOM 1254 O PRO A 75 8.107 -7.969 4.515 1.00 0.00 O ATOM 1255 CB PRO A 75 8.706 -10.339 6.440 1.00 0.00 C ATOM 1256 CG PRO A 75 8.069 -11.681 6.343 1.00 0.00 C ATOM 1257 CD PRO A 75 6.751 -11.561 7.053 1.00 0.00 C ATOM 0 HA PRO A 75 7.691 -8.461 7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.400 -10.170 5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.276 -10.238 7.363 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.927 -11.972 5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.694 -12.445 6.805 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.000 -12.224 6.623 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.837 -11.819 8.108 1.00 0.00 H new ATOM 1265 N ARG A 76 6.329 -9.326 4.284 1.00 0.00 N ATOM 1266 CA ARG A 76 6.050 -8.898 2.916 1.00 0.00 C ATOM 1267 C ARG A 76 4.902 -7.889 2.868 1.00 0.00 C ATOM 1268 O ARG A 76 4.480 -7.474 1.788 1.00 0.00 O ATOM 1269 CB ARG A 76 5.713 -10.107 2.042 1.00 0.00 C ATOM 1270 CG ARG A 76 6.721 -11.238 2.152 1.00 0.00 C ATOM 1271 CD ARG A 76 6.500 -12.292 1.078 1.00 0.00 C ATOM 1272 NE ARG A 76 6.171 -13.596 1.649 1.00 0.00 N ATOM 1273 CZ ARG A 76 5.590 -14.579 0.965 1.00 0.00 C ATOM 1274 NH1 ARG A 76 5.274 -14.411 -0.313 1.00 0.00 N ATOM 1275 NH2 ARG A 76 5.327 -15.734 1.561 1.00 0.00 N ATOM 0 H ARG A 76 5.687 -10.031 4.646 1.00 0.00 H new ATOM 0 HA ARG A 76 6.946 -8.411 2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.728 -10.482 2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.651 -9.787 1.002 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.730 -10.836 2.066 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.645 -11.699 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.695 -11.972 0.417 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.398 -12.380 0.467 1.00 0.00 H new ATOM 0 HE ARG A 76 6.400 -13.763 2.629 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.476 -13.525 -0.776 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.829 -15.168 -0.832 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.570 -15.868 2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.882 -16.488 1.038 1.00 0.00 H new ATOM 1289 N ILE A 77 4.398 -7.499 4.036 1.00 0.00 N ATOM 1290 CA ILE A 77 3.299 -6.541 4.110 1.00 0.00 C ATOM 1291 C ILE A 77 3.750 -5.228 4.744 1.00 0.00 C ATOM 1292 O ILE A 77 4.341 -5.220 5.823 1.00 0.00 O ATOM 1293 CB ILE A 77 2.115 -7.112 4.918 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.675 -8.454 4.330 1.00 0.00 C ATOM 1295 CG2 ILE A 77 0.952 -6.128 4.938 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.944 -9.340 5.316 1.00 0.00 C ATOM 0 H ILE A 77 4.732 -7.830 4.941 1.00 0.00 H new ATOM 0 HA ILE A 77 2.975 -6.350 3.087 1.00 0.00 H new ATOM 0 HB ILE A 77 2.441 -7.271 5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.029 -8.270 3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.553 -8.984 3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.128 -6.550 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.274 -5.194 5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.621 -5.935 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.663 -10.273 4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.595 -9.555 6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.047 -8.830 5.667 1.00 0.00 H new ATOM 1308 N PHE A 78 3.462 -4.120 4.067 1.00 0.00 N ATOM 1309 CA PHE A 78 3.830 -2.801 4.568 1.00 0.00 C ATOM 1310 C PHE A 78 2.603 -1.902 4.678 1.00 0.00 C ATOM 1311 O PHE A 78 1.598 -2.121 4.002 1.00 0.00 O ATOM 1312 CB PHE A 78 4.881 -2.153 3.663 1.00 0.00 C ATOM 1313 CG PHE A 78 4.524 -2.168 2.203 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.582 -3.344 1.471 1.00 0.00 C ATOM 1315 CD2 PHE A 78 4.133 -1.003 1.562 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.257 -3.357 0.128 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.806 -1.010 0.219 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.869 -2.188 -0.499 1.00 0.00 C ATOM 0 H PHE A 78 2.975 -4.110 3.171 1.00 0.00 H new ATOM 0 HA PHE A 78 4.257 -2.926 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.031 -1.121 3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.831 -2.669 3.799 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.885 -4.260 1.956 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.083 -0.079 2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.306 -4.280 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.502 -0.095 -0.268 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.615 -2.196 -1.549 1.00 0.00 H new ATOM 1328 N GLN A 79 2.687 -0.893 5.542 1.00 0.00 N ATOM 1329 CA GLN A 79 1.578 0.032 5.748 1.00 0.00 C ATOM 1330 C GLN A 79 1.985 1.469 5.437 1.00 0.00 C ATOM 1331 O GLN A 79 3.128 1.868 5.668 1.00 0.00 O ATOM 1332 CB GLN A 79 1.074 -0.068 7.189 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.067 0.886 7.508 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.329 1.003 8.995 1.00 0.00 C ATOM 1335 OE1 GLN A 79 -0.035 2.028 9.611 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -0.888 -0.049 9.583 1.00 0.00 N ATOM 0 H GLN A 79 3.511 -0.696 6.110 1.00 0.00 H new ATOM 0 HA GLN A 79 0.777 -0.246 5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.745 -1.090 7.379 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.903 0.131 7.869 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.165 1.872 7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.973 0.543 7.009 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.115 -0.879 9.035 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.090 -0.027 10.583 1.00 0.00 H new ATOM 1345 N ILE A 80 1.036 2.243 4.917 1.00 0.00 N ATOM 1346 CA ILE A 80 1.278 3.639 4.576 1.00 0.00 C ATOM 1347 C ILE A 80 0.194 4.538 5.166 1.00 0.00 C ATOM 1348 O ILE A 80 -0.975 4.440 4.795 1.00 0.00 O ATOM 1349 CB ILE A 80 1.327 3.844 3.048 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.363 2.908 2.417 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.641 5.296 2.713 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.822 2.106 1.254 1.00 0.00 C ATOM 0 H ILE A 80 0.087 1.923 4.722 1.00 0.00 H new ATOM 0 HA ILE A 80 2.245 3.910 5.000 1.00 0.00 H new ATOM 0 HB ILE A 80 0.348 3.603 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.214 3.498 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.734 2.223 3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.671 5.421 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.868 5.941 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.608 5.566 3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.609 1.465 0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.989 1.490 1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.477 2.784 0.473 1.00 0.00 H new ATOM 1364 N LEU A 81 0.590 5.411 6.088 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.350 6.323 6.730 1.00 0.00 C ATOM 1366 C LEU A 81 -0.440 7.644 5.972 1.00 0.00 C ATOM 1367 O LEU A 81 0.574 8.205 5.559 1.00 0.00 O ATOM 1368 CB LEU A 81 0.070 6.582 8.178 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.807 7.578 8.940 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -1.963 6.860 9.620 1.00 0.00 C ATOM 1371 CD2 LEU A 81 0.021 8.344 9.961 1.00 0.00 C ATOM 0 H LEU A 81 1.554 5.506 6.407 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.334 5.854 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.068 5.634 8.716 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.097 6.948 8.182 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.219 8.291 8.226 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.576 7.584 10.157 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.571 6.356 8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.572 6.124 10.323 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.618 9.048 10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.461 7.644 10.671 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.814 8.890 9.450 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.662 8.136 5.797 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.889 9.394 5.093 1.00 0.00 C ATOM 1385 C TYR A 82 -3.089 10.134 5.671 1.00 0.00 C ATOM 1386 O TYR A 82 -4.034 9.516 6.163 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.105 9.141 3.600 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.026 7.979 3.307 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -4.366 8.019 3.672 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -2.554 6.842 2.666 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -5.209 6.957 3.405 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -3.391 5.776 2.396 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.717 5.840 2.767 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.554 4.780 2.500 1.00 0.00 O ATOM 0 H TYR A 82 -2.512 7.683 6.133 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.003 10.015 5.224 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.515 10.042 3.144 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.140 8.956 3.129 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.755 8.894 4.172 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.516 6.789 2.373 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.248 7.003 3.695 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.008 4.898 1.897 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.586 4.624 1.533 1.00 0.00 H new ATOM 1404 N ALA A 83 -3.047 11.461 5.610 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.133 12.285 6.128 1.00 0.00 C ATOM 1406 C ALA A 83 -5.340 12.247 5.197 1.00 0.00 C ATOM 1407 O ALA A 83 -5.240 12.588 4.018 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.658 13.718 6.329 1.00 0.00 C ATOM 0 H ALA A 83 -2.273 11.989 5.207 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.439 11.879 7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.478 14.322 6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.831 13.731 7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.324 14.128 5.376 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.481 11.828 5.735 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.708 11.745 4.953 1.00 0.00 C ATOM 1416 C ASN A 84 -8.611 12.945 5.226 1.00 0.00 C ATOM 1417 O ASN A 84 -9.205 13.510 4.308 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.448 10.438 5.265 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.204 10.487 6.580 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -10.371 10.875 6.623 1.00 0.00 O ATOM 1421 ND2 ASN A 84 -8.541 10.092 7.659 1.00 0.00 N ATOM 0 H ASN A 84 -6.581 11.541 6.709 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.441 11.755 3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.147 10.221 4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.730 9.618 5.295 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.998 10.102 8.571 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.574 9.778 7.577 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.707 13.326 6.496 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.537 14.457 6.894 1.00 0.00 C ATOM 1430 C GLU A 85 -8.692 15.544 7.550 1.00 0.00 C ATOM 1431 O GLU A 85 -8.846 16.730 7.254 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.634 13.998 7.856 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.820 13.349 7.162 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.569 12.390 8.065 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -11.911 11.685 8.861 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -13.814 12.342 7.978 1.00 0.00 O ATOM 0 H GLU A 85 -8.220 12.868 7.267 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.000 14.871 5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.209 13.291 8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.984 14.856 8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.503 14.125 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.471 12.814 6.279 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.799 15.131 8.443 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.942 16.080 9.129 1.00 0.00 C ATOM 1445 C GLY A 86 -5.596 15.484 9.490 1.00 0.00 C ATOM 1446 O GLY A 86 -4.665 15.505 8.686 1.00 0.00 O ATOM 0 H GLY A 86 -7.653 14.156 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.792 16.954 8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.439 16.425 10.036 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.492 14.954 10.704 1.00 0.00 N ATOM 1451 CA ILE A 87 -4.248 14.352 11.170 1.00 0.00 C ATOM 1452 C ILE A 87 -4.513 13.043 11.905 1.00 0.00 C ATOM 1453 O ILE A 87 -4.151 11.967 11.429 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.471 15.298 12.106 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.618 16.751 11.648 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -2.004 14.900 12.157 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.772 17.476 12.303 1.00 0.00 C ATOM 0 H ILE A 87 -6.253 14.929 11.382 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.646 14.158 10.282 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.889 15.213 13.109 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.694 17.287 11.863 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.754 16.771 10.567 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.466 15.576 12.822 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.917 13.879 12.530 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.576 14.959 11.156 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.816 18.500 11.932 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.705 16.964 12.067 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.628 17.488 13.383 1.00 0.00 H new ATOM 1469 N SER A 88 -5.141 13.144 13.071 1.00 0.00 N ATOM 1470 CA SER A 88 -5.451 11.970 13.878 1.00 0.00 C ATOM 1471 C SER A 88 -6.334 10.993 13.106 1.00 0.00 C ATOM 1472 O SER A 88 -6.247 9.780 13.296 1.00 0.00 O ATOM 1473 CB SER A 88 -6.140 12.389 15.177 1.00 0.00 C ATOM 1474 OG SER A 88 -7.540 12.520 14.997 1.00 0.00 O ATOM 0 H SER A 88 -5.446 14.028 13.479 1.00 0.00 H new ATOM 0 HA SER A 88 -4.515 11.466 14.118 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.938 11.651 15.953 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.725 13.336 15.522 1.00 0.00 H new ATOM 0 HG SER A 88 -7.955 12.787 15.844 1.00 0.00 H new ATOM 1480 N SER A 89 -7.182 11.530 12.235 1.00 0.00 N ATOM 1481 CA SER A 89 -8.079 10.704 11.434 1.00 0.00 C ATOM 1482 C SER A 89 -7.316 9.976 10.331 1.00 0.00 C ATOM 1483 O SER A 89 -7.768 8.948 9.828 1.00 0.00 O ATOM 1484 CB SER A 89 -9.186 11.564 10.821 1.00 0.00 C ATOM 1485 OG SER A 89 -9.968 12.183 11.828 1.00 0.00 O ATOM 0 H SER A 89 -7.267 12.532 12.066 1.00 0.00 H new ATOM 0 HA SER A 89 -8.527 9.959 12.091 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.745 12.326 10.179 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.824 10.945 10.190 1.00 0.00 H new ATOM 0 HG SER A 89 -10.667 12.728 11.410 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.156 10.521 9.959 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.314 9.939 8.914 1.00 0.00 C ATOM 1493 C ALA A 90 -5.327 8.413 8.952 1.00 0.00 C ATOM 1494 O ALA A 90 -4.866 7.802 9.917 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.890 10.455 9.047 1.00 0.00 C ATOM 0 H ALA A 90 -5.776 11.373 10.371 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.724 10.244 7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.270 10.017 8.265 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.886 11.540 8.948 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.492 10.178 10.023 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.856 7.807 7.895 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.929 6.355 7.803 1.00 0.00 C ATOM 1503 C LYS A 91 -4.638 5.782 7.231 1.00 0.00 C ATOM 1504 O LYS A 91 -3.690 6.517 6.953 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.116 5.938 6.933 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.445 6.503 7.408 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.835 5.943 8.766 1.00 0.00 C ATOM 1508 CE LYS A 91 -9.863 4.832 8.638 1.00 0.00 C ATOM 1509 NZ LYS A 91 -9.224 3.506 8.416 1.00 0.00 N ATOM 0 H LYS A 91 -6.241 8.300 7.089 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.067 5.958 8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.937 6.264 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.179 4.850 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.380 7.589 7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.222 6.269 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.948 5.562 9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.238 6.742 9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.471 4.795 9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.536 5.054 7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.548 3.112 7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.190 3.618 8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.486 2.861 9.188 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.607 4.465 7.059 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.429 3.793 6.519 1.00 0.00 C ATOM 1525 C ASN A 92 -3.816 2.815 5.415 1.00 0.00 C ATOM 1526 O ASN A 92 -4.994 2.509 5.228 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.674 3.057 7.630 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.595 2.496 8.701 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -4.579 1.705 8.287 1.00 0.00 O flip ATOM 1530 ND2 ASN A 92 -3.424 2.774 9.888 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.382 3.842 7.285 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.776 4.554 6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.097 2.243 7.192 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.962 3.740 8.092 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.655 3.386 10.163 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.051 2.393 10.597 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.818 2.328 4.685 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.054 1.385 3.598 1.00 0.00 C ATOM 1539 C LEU A 93 -2.141 0.170 3.720 1.00 0.00 C ATOM 1540 O LEU A 93 -0.917 0.293 3.665 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.834 2.070 2.246 1.00 0.00 C ATOM 1542 CG LEU A 93 -4.001 1.956 1.263 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -3.805 2.903 0.088 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -4.146 0.522 0.775 1.00 0.00 C ATOM 0 H LEU A 93 -1.838 2.571 4.827 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.088 1.045 3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.628 3.126 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.945 1.644 1.781 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.917 2.239 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.645 2.808 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.749 3.929 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.880 2.652 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.980 0.458 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.229 0.214 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.333 -0.134 1.625 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.744 -1.002 3.880 1.00 0.00 N ATOM 1557 CA LEU A 94 -1.984 -2.240 4.002 1.00 0.00 C ATOM 1558 C LEU A 94 -1.817 -2.895 2.637 1.00 0.00 C ATOM 1559 O LEU A 94 -2.798 -3.186 1.954 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.684 -3.202 4.963 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.553 -2.848 6.447 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.154 -3.168 6.950 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.882 -1.380 6.676 1.00 0.00 C ATOM 0 H LEU A 94 -3.756 -1.121 3.928 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.998 -2.002 4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.743 -3.240 4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.282 -4.203 4.807 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.266 -3.451 7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.079 -2.910 8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.956 -4.232 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.423 -2.592 6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.784 -1.146 7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.194 -0.759 6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.904 -1.182 6.354 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.568 -3.111 2.237 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.282 -3.716 0.945 1.00 0.00 C ATOM 1577 C LEU A 95 0.632 -4.928 1.088 1.00 0.00 C ATOM 1578 O LEU A 95 1.800 -4.801 1.458 1.00 0.00 O ATOM 1579 CB LEU A 95 0.353 -2.680 0.021 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.491 -1.424 -0.210 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.153 -0.538 -1.259 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.906 -1.800 -0.624 1.00 0.00 C ATOM 0 H LEU A 95 0.258 -2.877 2.788 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.222 -4.060 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.315 -2.383 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.554 -3.148 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.544 -0.867 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.460 0.350 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.147 -0.240 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.236 -1.086 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.491 -0.894 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.873 -2.379 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.369 -2.397 0.162 1.00 0.00 H new ATOM 1594 N LEU A 96 0.091 -6.103 0.784 1.00 0.00 N ATOM 1595 CA LEU A 96 0.849 -7.345 0.866 1.00 0.00 C ATOM 1596 C LEU A 96 1.621 -7.586 -0.428 1.00 0.00 C ATOM 1597 O LEU A 96 1.037 -7.632 -1.511 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.096 -8.519 1.154 1.00 0.00 C ATOM 1599 CG LEU A 96 0.479 -9.917 0.897 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.307 -10.382 2.083 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.641 -10.905 0.608 1.00 0.00 C ATOM 0 H LEU A 96 -0.875 -6.221 0.477 1.00 0.00 H new ATOM 0 HA LEU A 96 1.567 -7.264 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.409 -8.462 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.992 -8.398 0.545 1.00 0.00 H new ATOM 0 HG LEU A 96 1.131 -9.867 0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.706 -11.376 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.130 -9.687 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.679 -10.417 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.217 -11.893 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.316 -10.950 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.194 -10.581 -0.274 1.00 0.00 H new ATOM 1613 N ALA A 97 2.934 -7.738 -0.308 1.00 0.00 N ATOM 1614 CA ALA A 97 3.783 -7.974 -1.469 1.00 0.00 C ATOM 1615 C ALA A 97 4.039 -9.464 -1.667 1.00 0.00 C ATOM 1616 O ALA A 97 4.300 -10.192 -0.710 1.00 0.00 O ATOM 1617 CB ALA A 97 5.099 -7.224 -1.321 1.00 0.00 C ATOM 0 H ALA A 97 3.434 -7.702 0.581 1.00 0.00 H new ATOM 0 HA ALA A 97 3.263 -7.601 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.724 -7.409 -2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.901 -6.155 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.616 -7.570 -0.426 1.00 0.00 H new ATOM 1623 N ASN A 98 3.964 -9.911 -2.917 1.00 0.00 N ATOM 1624 CA ASN A 98 4.191 -11.315 -3.244 1.00 0.00 C ATOM 1625 C ASN A 98 5.550 -11.779 -2.731 1.00 0.00 C ATOM 1626 O ASN A 98 5.739 -12.954 -2.415 1.00 0.00 O ATOM 1627 CB ASN A 98 4.103 -11.533 -4.756 1.00 0.00 C ATOM 1628 CG ASN A 98 2.912 -10.830 -5.376 1.00 0.00 C ATOM 1629 OD1 ASN A 98 1.806 -11.371 -5.411 1.00 0.00 O ATOM 1630 ND2 ASN A 98 3.132 -9.619 -5.870 1.00 0.00 N ATOM 0 H ASN A 98 3.748 -9.321 -3.720 1.00 0.00 H new ATOM 0 HA ASN A 98 3.415 -11.904 -2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.018 -11.173 -5.226 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.038 -12.601 -4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.368 -9.097 -6.301 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.065 -9.209 -5.819 1.00 0.00 H new ATOM 1637 N SER A 99 6.495 -10.847 -2.651 1.00 0.00 N ATOM 1638 CA SER A 99 7.837 -11.158 -2.176 1.00 0.00 C ATOM 1639 C SER A 99 8.323 -10.095 -1.197 1.00 0.00 C ATOM 1640 O SER A 99 7.969 -8.922 -1.313 1.00 0.00 O ATOM 1641 CB SER A 99 8.807 -11.267 -3.353 1.00 0.00 C ATOM 1642 OG SER A 99 8.346 -12.205 -4.310 1.00 0.00 O ATOM 0 H SER A 99 6.355 -9.870 -2.909 1.00 0.00 H new ATOM 0 HA SER A 99 7.800 -12.116 -1.658 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.924 -10.291 -3.823 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.791 -11.566 -2.991 1.00 0.00 H new ATOM 0 HG SER A 99 8.983 -12.255 -5.053 1.00 0.00 H new ATOM 1648 N THR A 100 9.137 -10.511 -0.231 1.00 0.00 N ATOM 1649 CA THR A 100 9.672 -9.593 0.768 1.00 0.00 C ATOM 1650 C THR A 100 10.404 -8.431 0.105 1.00 0.00 C ATOM 1651 O THR A 100 10.224 -7.274 0.482 1.00 0.00 O ATOM 1652 CB THR A 100 10.622 -10.331 1.712 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.266 -11.698 1.817 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.644 -9.754 3.111 1.00 0.00 C ATOM 0 H THR A 100 9.440 -11.478 -0.119 1.00 0.00 H new ATOM 0 HA THR A 100 8.835 -9.194 1.341 1.00 0.00 H new ATOM 0 HB THR A 100 11.612 -10.214 1.272 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.760 -12.217 1.149 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.338 -10.324 3.729 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.965 -8.713 3.070 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.645 -9.809 3.543 1.00 0.00 H new ATOM 1662 N GLU A 101 11.230 -8.749 -0.886 1.00 0.00 N ATOM 1663 CA GLU A 101 11.994 -7.735 -1.605 1.00 0.00 C ATOM 1664 C GLU A 101 11.083 -6.627 -2.128 1.00 0.00 C ATOM 1665 O GLU A 101 11.430 -5.447 -2.073 1.00 0.00 O ATOM 1666 CB GLU A 101 12.759 -8.372 -2.765 1.00 0.00 C ATOM 1667 CG GLU A 101 13.544 -9.611 -2.368 1.00 0.00 C ATOM 1668 CD GLU A 101 14.552 -10.025 -3.423 1.00 0.00 C ATOM 1669 OE1 GLU A 101 15.148 -9.130 -4.059 1.00 0.00 O ATOM 1670 OE2 GLU A 101 14.744 -11.244 -3.613 1.00 0.00 O ATOM 0 H GLU A 101 11.388 -9.703 -1.210 1.00 0.00 H new ATOM 0 HA GLU A 101 12.705 -7.292 -0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.054 -8.636 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.445 -7.636 -3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.064 -9.422 -1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.852 -10.434 -2.189 1.00 0.00 H new ATOM 1677 N GLU A 102 9.915 -7.014 -2.633 1.00 0.00 N ATOM 1678 CA GLU A 102 8.954 -6.053 -3.164 1.00 0.00 C ATOM 1679 C GLU A 102 8.561 -5.033 -2.100 1.00 0.00 C ATOM 1680 O GLU A 102 8.457 -3.838 -2.379 1.00 0.00 O ATOM 1681 CB GLU A 102 7.709 -6.778 -3.681 1.00 0.00 C ATOM 1682 CG GLU A 102 7.250 -6.296 -5.049 1.00 0.00 C ATOM 1683 CD GLU A 102 6.843 -7.437 -5.962 1.00 0.00 C ATOM 1684 OE1 GLU A 102 5.982 -8.244 -5.556 1.00 0.00 O ATOM 1685 OE2 GLU A 102 7.387 -7.522 -7.084 1.00 0.00 O ATOM 0 H GLU A 102 9.611 -7.986 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 102 9.426 -5.523 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.916 -7.847 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.897 -6.644 -2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.408 -5.615 -4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.053 -5.728 -5.519 1.00 0.00 H new ATOM 1692 N GLN A 103 8.346 -5.512 -0.879 1.00 0.00 N ATOM 1693 CA GLN A 103 7.966 -4.642 0.227 1.00 0.00 C ATOM 1694 C GLN A 103 9.081 -3.652 0.550 1.00 0.00 C ATOM 1695 O GLN A 103 8.819 -2.506 0.912 1.00 0.00 O ATOM 1696 CB GLN A 103 7.629 -5.475 1.466 1.00 0.00 C ATOM 1697 CG GLN A 103 7.271 -4.640 2.686 1.00 0.00 C ATOM 1698 CD GLN A 103 8.372 -4.625 3.727 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.238 -3.620 3.659 1.00 0.00 O flip ATOM 1700 NE2 GLN A 103 8.445 -5.507 4.584 1.00 0.00 N flip ATOM 0 H GLN A 103 8.429 -6.498 -0.631 1.00 0.00 H new ATOM 0 HA GLN A 103 7.083 -4.078 -0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.795 -6.137 1.232 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.481 -6.110 1.709 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.059 -3.618 2.372 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.358 -5.032 3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.758 -6.261 4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.192 -5.483 5.278 1.00 0.00 H new ATOM 1709 N GLN A 104 10.326 -4.099 0.416 1.00 0.00 N ATOM 1710 CA GLN A 104 11.476 -3.243 0.695 1.00 0.00 C ATOM 1711 C GLN A 104 11.593 -2.140 -0.350 1.00 0.00 C ATOM 1712 O GLN A 104 11.919 -0.998 -0.030 1.00 0.00 O ATOM 1713 CB GLN A 104 12.775 -4.060 0.729 1.00 0.00 C ATOM 1714 CG GLN A 104 12.604 -5.497 1.198 1.00 0.00 C ATOM 1715 CD GLN A 104 11.790 -5.609 2.472 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.581 -4.625 3.180 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.328 -6.818 2.769 1.00 0.00 N ATOM 0 H GLN A 104 10.565 -5.045 0.117 1.00 0.00 H new ATOM 0 HA GLN A 104 11.321 -2.791 1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.211 -4.067 -0.270 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.487 -3.559 1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.120 -6.075 0.411 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.586 -5.940 1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.526 -7.606 2.152 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.775 -6.959 3.614 1.00 0.00 H new ATOM 1726 N LYS A 105 11.328 -2.494 -1.603 1.00 0.00 N ATOM 1727 CA LYS A 105 11.407 -1.540 -2.702 1.00 0.00 C ATOM 1728 C LYS A 105 10.223 -0.577 -2.682 1.00 0.00 C ATOM 1729 O LYS A 105 10.398 0.637 -2.786 1.00 0.00 O ATOM 1730 CB LYS A 105 11.455 -2.279 -4.042 1.00 0.00 C ATOM 1731 CG LYS A 105 11.391 -1.361 -5.253 1.00 0.00 C ATOM 1732 CD LYS A 105 11.383 -2.150 -6.553 1.00 0.00 C ATOM 1733 CE LYS A 105 9.986 -2.235 -7.150 1.00 0.00 C ATOM 1734 NZ LYS A 105 9.478 -3.634 -7.177 1.00 0.00 N ATOM 0 H LYS A 105 11.056 -3.437 -1.883 1.00 0.00 H new ATOM 0 HA LYS A 105 12.322 -0.960 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.373 -2.865 -4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.624 -2.983 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.494 -0.744 -5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.245 -0.684 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.057 -1.679 -7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.763 -3.155 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.305 -1.613 -6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.999 -1.834 -8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.524 -3.649 -7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 10.114 -4.223 -7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.441 -4.009 -6.208 1.00 0.00 H new ATOM 1748 N TRP A 106 9.019 -1.124 -2.557 1.00 0.00 N ATOM 1749 CA TRP A 106 7.809 -0.308 -2.535 1.00 0.00 C ATOM 1750 C TRP A 106 7.846 0.717 -1.405 1.00 0.00 C ATOM 1751 O TRP A 106 7.614 1.906 -1.623 1.00 0.00 O ATOM 1752 CB TRP A 106 6.573 -1.190 -2.396 1.00 0.00 C ATOM 1753 CG TRP A 106 5.880 -1.409 -3.701 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.146 -2.386 -4.608 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.821 -0.622 -4.255 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.305 -2.271 -5.688 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.485 -1.193 -5.496 1.00 0.00 C ATOM 1758 CE3 TRP A 106 4.120 0.503 -3.820 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.480 -0.672 -6.306 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 3.122 1.018 -4.628 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.811 0.431 -5.856 1.00 0.00 C ATOM 0 H TRP A 106 8.854 -2.127 -2.469 1.00 0.00 H new ATOM 0 HA TRP A 106 7.760 0.232 -3.481 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.863 -2.153 -1.975 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.879 -0.730 -1.692 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.908 -3.143 -4.496 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.294 -2.888 -6.500 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.352 0.963 -2.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.238 -1.124 -7.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.574 1.890 -4.303 1.00 0.00 H new ATOM 0 HH2 TRP A 106 2.026 0.857 -6.462 1.00 0.00 H new ATOM 1772 N VAL A 107 8.128 0.244 -0.196 1.00 0.00 N ATOM 1773 CA VAL A 107 8.183 1.111 0.976 1.00 0.00 C ATOM 1774 C VAL A 107 9.296 2.150 0.864 1.00 0.00 C ATOM 1775 O VAL A 107 9.064 3.342 1.060 1.00 0.00 O ATOM 1776 CB VAL A 107 8.387 0.289 2.265 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.383 1.191 3.492 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.315 -0.785 2.383 1.00 0.00 C ATOM 0 H VAL A 107 8.323 -0.738 -0.001 1.00 0.00 H new ATOM 0 HA VAL A 107 7.226 1.630 1.024 1.00 0.00 H new ATOM 0 HB VAL A 107 9.361 -0.198 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.529 0.587 4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.189 1.920 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.428 1.712 3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.472 -1.357 3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.332 -0.316 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.373 -1.453 1.523 1.00 0.00 H new ATOM 1788 N SER A 108 10.506 1.691 0.564 1.00 0.00 N ATOM 1789 CA SER A 108 11.656 2.582 0.447 1.00 0.00 C ATOM 1790 C SER A 108 11.510 3.548 -0.728 1.00 0.00 C ATOM 1791 O SER A 108 11.932 4.701 -0.648 1.00 0.00 O ATOM 1792 CB SER A 108 12.942 1.769 0.293 1.00 0.00 C ATOM 1793 OG SER A 108 14.061 2.487 0.783 1.00 0.00 O ATOM 0 H SER A 108 10.717 0.707 0.397 1.00 0.00 H new ATOM 0 HA SER A 108 11.705 3.173 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.847 0.826 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.096 1.522 -0.757 1.00 0.00 H new ATOM 0 HG SER A 108 14.870 1.945 0.675 1.00 0.00 H new ATOM 1799 N ARG A 109 10.925 3.072 -1.821 1.00 0.00 N ATOM 1800 CA ARG A 109 10.742 3.905 -3.006 1.00 0.00 C ATOM 1801 C ARG A 109 9.611 4.911 -2.813 1.00 0.00 C ATOM 1802 O ARG A 109 9.798 6.115 -2.995 1.00 0.00 O ATOM 1803 CB ARG A 109 10.464 3.033 -4.230 1.00 0.00 C ATOM 1804 CG ARG A 109 11.672 2.239 -4.698 1.00 0.00 C ATOM 1805 CD ARG A 109 12.395 2.943 -5.833 1.00 0.00 C ATOM 1806 NE ARG A 109 13.355 3.930 -5.342 1.00 0.00 N ATOM 1807 CZ ARG A 109 14.414 4.347 -6.033 1.00 0.00 C ATOM 1808 NH1 ARG A 109 14.653 3.873 -7.249 1.00 0.00 N ATOM 1809 NH2 ARG A 109 15.237 5.244 -5.506 1.00 0.00 N ATOM 0 H ARG A 109 10.571 2.120 -1.913 1.00 0.00 H new ATOM 0 HA ARG A 109 11.665 4.463 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.654 2.342 -3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 109 10.118 3.667 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.358 2.093 -3.864 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.354 1.250 -5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 109 12.914 2.205 -6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 109 11.666 3.435 -6.477 1.00 0.00 H new ATOM 0 HE ARG A 109 13.204 4.323 -4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 109 14.023 3.184 -7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 109 15.466 4.197 -7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 109 15.058 5.614 -4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 109 16.049 5.564 -6.035 1.00 0.00 H new ATOM 1823 N LEU A 110 8.434 4.411 -2.448 1.00 0.00 N ATOM 1824 CA LEU A 110 7.273 5.270 -2.240 1.00 0.00 C ATOM 1825 C LEU A 110 7.544 6.306 -1.153 1.00 0.00 C ATOM 1826 O LEU A 110 7.121 7.457 -1.262 1.00 0.00 O ATOM 1827 CB LEU A 110 6.043 4.430 -1.881 1.00 0.00 C ATOM 1828 CG LEU A 110 6.012 3.885 -0.452 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.441 4.922 0.504 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.202 2.598 -0.396 1.00 0.00 C ATOM 0 H LEU A 110 8.259 3.418 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 110 7.076 5.801 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.151 5.037 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.984 3.590 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 110 7.033 3.664 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.427 4.516 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.061 5.818 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.425 5.176 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.188 2.221 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.181 2.796 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.655 1.854 -1.051 1.00 0.00 H new ATOM 1842 N VAL A 111 8.256 5.896 -0.108 1.00 0.00 N ATOM 1843 CA VAL A 111 8.583 6.799 0.988 1.00 0.00 C ATOM 1844 C VAL A 111 9.621 7.826 0.550 1.00 0.00 C ATOM 1845 O VAL A 111 9.518 9.008 0.877 1.00 0.00 O ATOM 1846 CB VAL A 111 9.106 6.032 2.221 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.502 5.481 1.972 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.090 6.927 3.450 1.00 0.00 C ATOM 0 H VAL A 111 8.616 4.948 0.002 1.00 0.00 H new ATOM 0 HA VAL A 111 7.662 7.312 1.266 1.00 0.00 H new ATOM 0 HB VAL A 111 8.442 5.187 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.845 4.946 2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.478 4.799 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.185 6.303 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.462 6.370 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.726 7.795 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.070 7.258 3.646 1.00 0.00 H new ATOM 1858 N LYS A 112 10.619 7.364 -0.197 1.00 0.00 N ATOM 1859 CA LYS A 112 11.674 8.241 -0.689 1.00 0.00 C ATOM 1860 C LYS A 112 11.089 9.347 -1.561 1.00 0.00 C ATOM 1861 O LYS A 112 11.632 10.449 -1.632 1.00 0.00 O ATOM 1862 CB LYS A 112 12.707 7.438 -1.485 1.00 0.00 C ATOM 1863 CG LYS A 112 13.893 6.979 -0.654 1.00 0.00 C ATOM 1864 CD LYS A 112 15.016 6.448 -1.531 1.00 0.00 C ATOM 1865 CE LYS A 112 15.742 5.286 -0.871 1.00 0.00 C ATOM 1866 NZ LYS A 112 15.944 4.150 -1.812 1.00 0.00 N ATOM 0 H LYS A 112 10.719 6.388 -0.474 1.00 0.00 H new ATOM 0 HA LYS A 112 12.167 8.697 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.220 6.566 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.069 8.047 -2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.261 7.811 -0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.573 6.202 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.608 6.126 -2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.725 7.249 -1.740 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.709 5.626 -0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.171 4.945 -0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.442 3.379 -1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.021 3.808 -2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.511 4.468 -2.624 1.00 0.00 H new ATOM 1880 N LYS A 113 9.975 9.044 -2.222 1.00 0.00 N ATOM 1881 CA LYS A 113 9.313 10.014 -3.088 1.00 0.00 C ATOM 1882 C LYS A 113 8.568 11.067 -2.268 1.00 0.00 C ATOM 1883 O LYS A 113 8.207 12.123 -2.785 1.00 0.00 O ATOM 1884 CB LYS A 113 8.340 9.306 -4.032 1.00 0.00 C ATOM 1885 CG LYS A 113 9.022 8.393 -5.039 1.00 0.00 C ATOM 1886 CD LYS A 113 8.014 7.527 -5.778 1.00 0.00 C ATOM 1887 CE LYS A 113 7.756 8.046 -7.184 1.00 0.00 C ATOM 1888 NZ LYS A 113 8.549 7.304 -8.203 1.00 0.00 N ATOM 0 H LYS A 113 9.513 8.136 -2.174 1.00 0.00 H new ATOM 0 HA LYS A 113 10.081 10.517 -3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.636 8.720 -3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.759 10.055 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.582 8.994 -5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.742 7.757 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.382 6.502 -5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 113 7.077 7.502 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.694 7.957 -7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 113 8.005 9.106 -7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.345 7.687 -9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.563 7.409 -7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.293 6.296 -8.176 1.00 0.00 H new ATOM 1902 N ILE A 114 8.337 10.773 -0.991 1.00 0.00 N ATOM 1903 CA ILE A 114 7.633 11.695 -0.109 1.00 0.00 C ATOM 1904 C ILE A 114 8.485 12.926 0.199 1.00 0.00 C ATOM 1905 O ILE A 114 9.703 12.823 0.341 1.00 0.00 O ATOM 1906 CB ILE A 114 7.238 11.013 1.215 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.515 9.695 0.937 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.364 11.936 2.051 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.072 8.972 2.190 1.00 0.00 C ATOM 0 H ILE A 114 8.628 9.903 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 114 6.730 12.006 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 114 8.146 10.798 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.643 9.893 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.174 9.042 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.095 11.437 2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.912 12.852 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.459 12.181 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.567 8.046 1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.942 8.742 2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.387 9.606 2.753 1.00 0.00 H new ATOM 1921 N PRO A 115 7.854 14.111 0.314 1.00 0.00 N ATOM 1922 CA PRO A 115 8.566 15.357 0.614 1.00 0.00 C ATOM 1923 C PRO A 115 9.133 15.358 2.025 1.00 0.00 C ATOM 1924 O PRO A 115 10.296 15.702 2.243 1.00 0.00 O ATOM 1925 CB PRO A 115 7.489 16.445 0.478 1.00 0.00 C ATOM 1926 CG PRO A 115 6.332 15.785 -0.195 1.00 0.00 C ATOM 1927 CD PRO A 115 6.409 14.332 0.168 1.00 0.00 C ATOM 0 HA PRO A 115 9.417 15.505 -0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.203 16.837 1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.855 17.287 -0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 115 5.389 16.220 0.137 1.00 0.00 H new ATOM 0 HG3 PRO A 115 6.382 15.919 -1.276 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.871 14.116 1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.979 13.698 -0.607 1.00 0.00 H new ATOM 1935 N LYS A 116 8.299 14.969 2.983 1.00 0.00 N ATOM 1936 CA LYS A 116 8.704 14.920 4.383 1.00 0.00 C ATOM 1937 C LYS A 116 9.385 13.592 4.708 1.00 0.00 C ATOM 1938 O LYS A 116 9.014 12.909 5.663 1.00 0.00 O ATOM 1939 CB LYS A 116 7.490 15.122 5.292 1.00 0.00 C ATOM 1940 CG LYS A 116 6.924 16.533 5.247 1.00 0.00 C ATOM 1941 CD LYS A 116 7.181 17.283 6.546 1.00 0.00 C ATOM 1942 CE LYS A 116 7.639 18.708 6.284 1.00 0.00 C ATOM 1943 NZ LYS A 116 9.122 18.804 6.171 1.00 0.00 N ATOM 0 H LYS A 116 7.335 14.682 2.815 1.00 0.00 H new ATOM 0 HA LYS A 116 9.419 15.724 4.558 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.710 14.417 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.771 14.885 6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.372 17.079 4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 116 5.851 16.489 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 116 6.271 17.296 7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 116 7.938 16.757 7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.181 19.073 5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 116 7.294 19.354 7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 9.393 19.792 5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.559 18.480 7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 9.450 18.207 5.385 1.00 0.00 H new ATOM 1957 N LYS A 117 10.382 13.232 3.908 1.00 0.00 N ATOM 1958 CA LYS A 117 11.115 11.988 4.109 1.00 0.00 C ATOM 1959 C LYS A 117 11.812 11.980 5.466 1.00 0.00 C ATOM 1960 O LYS A 117 12.165 10.882 5.943 1.00 0.00 O ATOM 1961 CB LYS A 117 12.144 11.793 2.994 1.00 0.00 C ATOM 1962 CG LYS A 117 12.564 10.345 2.799 1.00 0.00 C ATOM 1963 CD LYS A 117 13.745 10.232 1.849 1.00 0.00 C ATOM 1964 CE LYS A 117 15.067 10.270 2.599 1.00 0.00 C ATOM 1965 NZ LYS A 117 15.525 8.907 2.986 1.00 0.00 N ATOM 1966 OXT LYS A 117 11.998 13.074 6.040 1.00 0.00 O ATOM 0 H LYS A 117 10.702 13.785 3.113 1.00 0.00 H new ATOM 0 HA LYS A 117 10.400 11.166 4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.730 12.171 2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 117 13.027 12.392 3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 117 12.827 9.908 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.724 9.771 2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 117 13.672 9.302 1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 117 13.712 11.047 1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 117 15.825 10.744 1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 117 14.960 10.884 3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 16.429 8.976 3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 14.814 8.464 3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 15.652 8.328 2.132 1.00 0.00 H new TER 1980 LYS A 117