USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1087 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: B 123 CYS SG : rot -5:sc= -0.607 USER MOD Set 1.2: B 124 GLN : amide:sc= -0.274 K(o=-0.88,f=-1.5) USER MOD Set 2.1: B 93 ASN : amide:sc= -1.17 K(o=-2.5,f=-1.7) USER MOD Set 2.2: B 97 GLN : amide:sc= -1.32 K(o=-2.5,f=-1.9) USER MOD Set 3.1: B 54 TYR OH : rot 15:sc= 0.241 USER MOD Set 3.2: B 61 GLN : amide:sc= -3.15! K(o=-2.9!,f=0.52) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0834 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 4 MET CE :methyl -158:sc= -0.174 (180deg=-0.816) USER MOD Single : A 7 ASN : amide:sc= -0.315 X(o=-0.31,f=-0.0059) USER MOD Single : A 9 ASN : amide:sc= 0.4 K(o=0.4,f=-0.17) USER MOD Single : A 10 SER OG : rot 91:sc= 0.4 USER MOD Single : A 11 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.032) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.26) USER MOD Single : A 32 GLN : amide:sc= -0.823 X(o=-0.82,f=-0.41) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 51:sc= 0.267 USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 43 LYS NZ :NH3+ 153:sc= 0.705 (180deg=0.407) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ -147:sc= 1.13 (180deg=0.768) USER MOD Single : B 47 THR OG1 : rot 102:sc= 1.27 USER MOD Single : B 48 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1.13) USER MOD Single : B 55 GLN : amide:sc= -1.98! X(o=-2!,f=-1.9) USER MOD Single : B 56 ASN : amide:sc= 1.23 K(o=1.2,f=-0.13) USER MOD Single : B 57 SER OG : rot 88:sc= 0.0627 USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 0.213 K(o=0.21,f=-1.7) USER MOD Single : B 68 THR OG1 : rot 180:sc= -0.103 USER MOD Single : B 70 LYS NZ :NH3+ -169:sc= 0.827 (180deg=0.762) USER MOD Single : B 72 HIS : no HE2:sc= 0.983 K(o=0.98,f=-3.3!) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 29:sc= 1.34 USER MOD Single : B 81 SER OG : rot -28:sc= 0.481 USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 THR OG1 : rot -34:sc= 0.226 USER MOD Single : B 85 ASN : amide:sc=-0.00689 X(o=-0.0069,f=0) USER MOD Single : B 88 SER OG : rot 140:sc= 0.433 USER MOD Single : B 89 SER OG : rot 180:sc= 0.00579 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 92 MET CE :methyl -148:sc=-0.00745 (180deg=-0.333) USER MOD Single : B 94 SER OG : rot 180:sc= -0.276 USER MOD Single : B 98 LYS NZ :NH3+ -167:sc= -0.0569 (180deg=-0.285) USER MOD Single : B 103 ASN : amide:sc= 0.663 K(o=0.66,f=-0.055) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -0.883 K(o=-0.88,f=-1.7!) USER MOD Single : B 107 THR OG1 : rot 0:sc= 0.796 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : B 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 116 ASN : amide:sc= 0.0133 X(o=0.013,f=0) USER MOD Single : B 129 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1.17) USER MOD Single : B 131 ASN : amide:sc= 1.31 K(o=1.3,f=-0.046) USER MOD Single : B 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 135 LYS NZ :NH3+ 171:sc=-0.000203 (180deg=-0.0986) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.868 -4.465 -25.375 1.00 0.00 N ATOM 2 CA GLY A 1 12.587 -5.180 -25.583 1.00 0.00 C ATOM 3 C GLY A 1 11.522 -4.713 -24.616 1.00 0.00 C ATOM 4 O GLY A 1 11.692 -3.679 -23.966 1.00 0.00 O ATOM 0 H1 GLY A 1 14.171 -4.029 -26.269 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.740 -3.725 -24.655 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.593 -5.138 -25.054 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.244 -5.022 -26.606 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.744 -6.252 -25.461 1.00 0.00 H new ATOM 10 N PRO A 2 10.410 -5.455 -24.496 1.00 0.00 N ATOM 11 CA PRO A 2 9.322 -5.104 -23.581 1.00 0.00 C ATOM 12 C PRO A 2 9.776 -5.114 -22.127 1.00 0.00 C ATOM 13 O PRO A 2 10.144 -6.155 -21.582 1.00 0.00 O ATOM 14 CB PRO A 2 8.269 -6.193 -23.824 1.00 0.00 C ATOM 15 CG PRO A 2 9.009 -7.319 -24.459 1.00 0.00 C ATOM 16 CD PRO A 2 10.127 -6.692 -25.243 1.00 0.00 C ATOM 0 HA PRO A 2 8.948 -4.096 -23.762 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.803 -6.506 -22.889 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.471 -5.831 -24.472 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.398 -8.004 -23.706 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.354 -7.899 -25.109 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.000 -7.343 -25.290 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.830 -6.483 -26.271 1.00 0.00 H new ATOM 24 N HIS A 3 9.751 -3.947 -21.505 1.00 0.00 N ATOM 25 CA HIS A 3 10.192 -3.811 -20.127 1.00 0.00 C ATOM 26 C HIS A 3 9.069 -4.188 -19.185 1.00 0.00 C ATOM 27 O HIS A 3 8.328 -3.336 -18.697 1.00 0.00 O ATOM 28 CB HIS A 3 10.672 -2.386 -19.837 1.00 0.00 C ATOM 29 CG HIS A 3 11.698 -1.883 -20.808 1.00 0.00 C ATOM 30 ND1 HIS A 3 13.031 -2.222 -20.742 1.00 0.00 N ATOM 31 CD2 HIS A 3 11.572 -1.065 -21.879 1.00 0.00 C ATOM 32 CE1 HIS A 3 13.681 -1.632 -21.728 1.00 0.00 C ATOM 33 NE2 HIS A 3 12.819 -0.924 -22.430 1.00 0.00 N ATOM 0 H HIS A 3 9.429 -3.079 -21.933 1.00 0.00 H new ATOM 0 HA HIS A 3 11.033 -4.486 -19.970 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.814 -1.714 -19.849 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.090 -2.351 -18.831 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.659 -0.609 -22.233 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.739 -1.715 -21.926 1.00 0.00 H new ATOM 0 HE2 HIS A 3 13.044 -0.362 -23.251 1.00 0.00 H new ATOM 42 N MET A 4 8.961 -5.475 -18.929 1.00 0.00 N ATOM 43 CA MET A 4 7.885 -6.009 -18.115 1.00 0.00 C ATOM 44 C MET A 4 8.296 -6.077 -16.650 1.00 0.00 C ATOM 45 O MET A 4 7.811 -6.914 -15.888 1.00 0.00 O ATOM 46 CB MET A 4 7.490 -7.389 -18.636 1.00 0.00 C ATOM 47 CG MET A 4 8.577 -8.440 -18.482 1.00 0.00 C ATOM 48 SD MET A 4 8.044 -10.079 -19.011 1.00 0.00 S ATOM 49 CE MET A 4 6.715 -10.392 -17.852 1.00 0.00 C ATOM 0 H MET A 4 9.612 -6.179 -19.277 1.00 0.00 H new ATOM 0 HA MET A 4 7.023 -5.345 -18.183 1.00 0.00 H new ATOM 0 HB2 MET A 4 6.597 -7.724 -18.108 1.00 0.00 H new ATOM 0 HB3 MET A 4 7.225 -7.306 -19.690 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.450 -8.142 -19.063 1.00 0.00 H new ATOM 0 HG3 MET A 4 8.889 -8.484 -17.438 1.00 0.00 H new ATOM 0 HE1 MET A 4 6.545 -11.466 -17.775 1.00 0.00 H new ATOM 0 HE2 MET A 4 6.985 -9.997 -16.873 1.00 0.00 H new ATOM 0 HE3 MET A 4 5.805 -9.904 -18.202 1.00 0.00 H new ATOM 59 N PHE A 5 9.177 -5.177 -16.262 1.00 0.00 N ATOM 60 CA PHE A 5 9.674 -5.133 -14.900 1.00 0.00 C ATOM 61 C PHE A 5 9.673 -3.699 -14.386 1.00 0.00 C ATOM 62 O PHE A 5 9.684 -2.747 -15.173 1.00 0.00 O ATOM 63 CB PHE A 5 11.089 -5.719 -14.825 1.00 0.00 C ATOM 64 CG PHE A 5 12.166 -4.801 -15.342 1.00 0.00 C ATOM 65 CD1 PHE A 5 12.295 -4.543 -16.697 1.00 0.00 C ATOM 66 CD2 PHE A 5 13.051 -4.195 -14.462 1.00 0.00 C ATOM 67 CE1 PHE A 5 13.283 -3.698 -17.163 1.00 0.00 C ATOM 68 CE2 PHE A 5 14.041 -3.350 -14.924 1.00 0.00 C ATOM 69 CZ PHE A 5 14.158 -3.101 -16.275 1.00 0.00 C ATOM 0 H PHE A 5 9.566 -4.461 -16.875 1.00 0.00 H new ATOM 0 HA PHE A 5 9.016 -5.734 -14.272 1.00 0.00 H new ATOM 0 HB2 PHE A 5 11.310 -5.973 -13.788 1.00 0.00 H new ATOM 0 HB3 PHE A 5 11.116 -6.649 -15.394 1.00 0.00 H new ATOM 0 HD1 PHE A 5 11.616 -5.008 -17.396 1.00 0.00 H new ATOM 0 HD2 PHE A 5 12.965 -4.386 -13.403 1.00 0.00 H new ATOM 0 HE1 PHE A 5 13.372 -3.504 -18.222 1.00 0.00 H new ATOM 0 HE2 PHE A 5 14.723 -2.885 -14.228 1.00 0.00 H new ATOM 0 HZ PHE A 5 14.932 -2.441 -16.639 1.00 0.00 H new ATOM 79 N ALA A 6 9.659 -3.565 -13.070 1.00 0.00 N ATOM 80 CA ALA A 6 9.719 -2.274 -12.408 1.00 0.00 C ATOM 81 C ALA A 6 9.896 -2.494 -10.918 1.00 0.00 C ATOM 82 O ALA A 6 9.488 -3.530 -10.391 1.00 0.00 O ATOM 83 CB ALA A 6 8.480 -1.447 -12.688 1.00 0.00 C ATOM 0 H ALA A 6 9.605 -4.355 -12.427 1.00 0.00 H new ATOM 0 HA ALA A 6 10.569 -1.715 -12.799 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.560 -0.488 -12.177 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.389 -1.280 -13.761 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.599 -1.978 -12.328 1.00 0.00 H new ATOM 89 N ASN A 7 10.498 -1.537 -10.239 1.00 0.00 N ATOM 90 CA ASN A 7 10.954 -1.768 -8.880 1.00 0.00 C ATOM 91 C ASN A 7 10.738 -0.585 -7.963 1.00 0.00 C ATOM 92 O ASN A 7 11.363 -0.490 -6.909 1.00 0.00 O ATOM 93 CB ASN A 7 12.425 -2.124 -8.907 1.00 0.00 C ATOM 94 CG ASN A 7 13.211 -1.174 -9.790 1.00 0.00 C ATOM 95 OD1 ASN A 7 13.761 -0.180 -9.322 1.00 0.00 O ATOM 96 ND2 ASN A 7 13.246 -1.472 -11.081 1.00 0.00 N ATOM 0 H ASN A 7 10.682 -0.601 -10.600 1.00 0.00 H new ATOM 0 HA ASN A 7 10.357 -2.586 -8.477 1.00 0.00 H new ATOM 0 HB2 ASN A 7 12.826 -2.096 -7.894 1.00 0.00 H new ATOM 0 HB3 ASN A 7 12.547 -3.145 -9.270 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.745 -0.865 -11.731 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.774 -2.309 -11.424 1.00 0.00 H new ATOM 103 N GLU A 8 9.857 0.307 -8.345 1.00 0.00 N ATOM 104 CA GLU A 8 9.417 1.345 -7.432 1.00 0.00 C ATOM 105 C GLU A 8 8.741 0.683 -6.235 1.00 0.00 C ATOM 106 O GLU A 8 8.853 1.136 -5.095 1.00 0.00 O ATOM 107 CB GLU A 8 8.426 2.274 -8.125 1.00 0.00 C ATOM 108 CG GLU A 8 7.195 1.540 -8.623 1.00 0.00 C ATOM 109 CD GLU A 8 7.307 1.062 -10.048 1.00 0.00 C ATOM 110 OE1 GLU A 8 7.456 1.902 -10.960 1.00 0.00 O1- ATOM 111 OE2 GLU A 8 7.234 -0.162 -10.262 1.00 0.00 O ATOM 0 H GLU A 8 9.431 0.340 -9.271 1.00 0.00 H new ATOM 0 HA GLU A 8 10.276 1.932 -7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.122 3.059 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.918 2.764 -8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.008 0.683 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.331 2.199 -8.537 1.00 0.00 H new ATOM 118 N ASN A 9 8.081 -0.436 -6.529 1.00 0.00 N ATOM 119 CA ASN A 9 7.284 -1.179 -5.564 1.00 0.00 C ATOM 120 C ASN A 9 8.110 -1.640 -4.374 1.00 0.00 C ATOM 121 O ASN A 9 7.581 -1.787 -3.277 1.00 0.00 O ATOM 122 CB ASN A 9 6.632 -2.380 -6.243 1.00 0.00 C ATOM 123 CG ASN A 9 7.607 -3.159 -7.102 1.00 0.00 C ATOM 124 OD1 ASN A 9 8.314 -4.041 -6.622 1.00 0.00 O ATOM 125 ND2 ASN A 9 7.642 -2.840 -8.388 1.00 0.00 N ATOM 0 H ASN A 9 8.087 -0.855 -7.459 1.00 0.00 H new ATOM 0 HA ASN A 9 6.514 -0.506 -5.187 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.214 -3.040 -5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.801 -2.038 -6.860 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.273 -3.334 -9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.038 -2.101 -8.747 1.00 0.00 H new ATOM 132 N SER A 10 9.397 -1.856 -4.594 1.00 0.00 N ATOM 133 CA SER A 10 10.305 -2.269 -3.529 1.00 0.00 C ATOM 134 C SER A 10 10.201 -1.323 -2.330 1.00 0.00 C ATOM 135 O SER A 10 10.274 -1.750 -1.179 1.00 0.00 O ATOM 136 CB SER A 10 11.740 -2.296 -4.058 1.00 0.00 C ATOM 137 OG SER A 10 11.806 -2.969 -5.306 1.00 0.00 O ATOM 0 H SER A 10 9.841 -1.752 -5.506 1.00 0.00 H new ATOM 0 HA SER A 10 10.024 -3.269 -3.198 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.110 -1.277 -4.170 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.389 -2.794 -3.337 1.00 0.00 H new ATOM 0 HG SER A 10 11.695 -2.321 -6.033 1.00 0.00 H new ATOM 143 N GLN A 11 10.013 -0.040 -2.612 1.00 0.00 N ATOM 144 CA GLN A 11 9.851 0.962 -1.565 1.00 0.00 C ATOM 145 C GLN A 11 8.397 1.011 -1.091 1.00 0.00 C ATOM 146 O GLN A 11 8.122 1.172 0.097 1.00 0.00 O ATOM 147 CB GLN A 11 10.283 2.335 -2.084 1.00 0.00 C ATOM 148 CG GLN A 11 11.737 2.389 -2.528 1.00 0.00 C ATOM 149 CD GLN A 11 12.718 2.213 -1.381 1.00 0.00 C ATOM 150 OE1 GLN A 11 13.804 1.665 -1.562 1.00 0.00 O ATOM 151 NE2 GLN A 11 12.355 2.691 -0.200 1.00 0.00 N ATOM 0 H GLN A 11 9.969 0.333 -3.560 1.00 0.00 H new ATOM 0 HA GLN A 11 10.481 0.688 -0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.645 2.614 -2.923 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.123 3.077 -1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.913 1.611 -3.271 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.926 3.345 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.446 3.139 -0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.985 2.611 0.598 1.00 0.00 H new ATOM 160 N LEU A 12 7.479 0.864 -2.042 1.00 0.00 N ATOM 161 CA LEU A 12 6.037 0.897 -1.769 1.00 0.00 C ATOM 162 C LEU A 12 5.623 -0.164 -0.757 1.00 0.00 C ATOM 163 O LEU A 12 4.889 0.123 0.185 1.00 0.00 O ATOM 164 CB LEU A 12 5.240 0.668 -3.053 1.00 0.00 C ATOM 165 CG LEU A 12 5.033 1.886 -3.958 1.00 0.00 C ATOM 166 CD1 LEU A 12 6.346 2.566 -4.298 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.324 1.458 -5.227 1.00 0.00 C ATOM 0 H LEU A 12 7.709 0.718 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 12 5.822 1.883 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.743 -0.106 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.260 0.276 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 12 4.422 2.609 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.155 3.425 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.831 2.900 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.997 1.862 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.176 2.325 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.929 0.716 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.356 1.025 -4.975 1.00 0.00 H new ATOM 179 N LEU A 13 6.092 -1.388 -0.973 1.00 0.00 N ATOM 180 CA LEU A 13 5.679 -2.535 -0.168 1.00 0.00 C ATOM 181 C LEU A 13 5.930 -2.289 1.313 1.00 0.00 C ATOM 182 O LEU A 13 5.040 -2.481 2.141 1.00 0.00 O ATOM 183 CB LEU A 13 6.417 -3.795 -0.619 1.00 0.00 C ATOM 184 CG LEU A 13 6.274 -4.134 -2.104 1.00 0.00 C ATOM 185 CD1 LEU A 13 7.057 -5.390 -2.439 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.810 -4.298 -2.483 1.00 0.00 C ATOM 0 H LEU A 13 6.765 -1.614 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 13 4.608 -2.676 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.476 -3.679 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.054 -4.639 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 13 6.683 -3.307 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.944 -5.617 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.111 -5.233 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.678 -6.223 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.733 -4.539 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.370 -5.104 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.276 -3.369 -2.282 1.00 0.00 H new ATOM 198 N ASP A 14 7.141 -1.852 1.639 1.00 0.00 N ATOM 199 CA ASP A 14 7.492 -1.553 3.023 1.00 0.00 C ATOM 200 C ASP A 14 6.692 -0.367 3.542 1.00 0.00 C ATOM 201 O ASP A 14 6.287 -0.347 4.701 1.00 0.00 O ATOM 202 CB ASP A 14 8.990 -1.275 3.164 1.00 0.00 C ATOM 203 CG ASP A 14 9.821 -2.541 3.154 1.00 0.00 C ATOM 204 OD1 ASP A 14 9.861 -3.241 4.186 1.00 0.00 O1- ATOM 205 OD2 ASP A 14 10.432 -2.852 2.112 1.00 0.00 O ATOM 0 H ASP A 14 7.893 -1.697 0.968 1.00 0.00 H new ATOM 0 HA ASP A 14 7.245 -2.430 3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.313 -0.626 2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.170 -0.734 4.093 1.00 0.00 H new ATOM 210 N PHE A 15 6.450 0.606 2.673 1.00 0.00 N ATOM 211 CA PHE A 15 5.696 1.798 3.041 1.00 0.00 C ATOM 212 C PHE A 15 4.272 1.430 3.458 1.00 0.00 C ATOM 213 O PHE A 15 3.825 1.780 4.550 1.00 0.00 O ATOM 214 CB PHE A 15 5.672 2.783 1.867 1.00 0.00 C ATOM 215 CG PHE A 15 5.050 4.109 2.195 1.00 0.00 C ATOM 216 CD1 PHE A 15 5.807 5.122 2.758 1.00 0.00 C ATOM 217 CD2 PHE A 15 3.710 4.346 1.934 1.00 0.00 C ATOM 218 CE1 PHE A 15 5.242 6.346 3.054 1.00 0.00 C ATOM 219 CE2 PHE A 15 3.138 5.567 2.228 1.00 0.00 C ATOM 220 CZ PHE A 15 3.905 6.569 2.790 1.00 0.00 C ATOM 0 H PHE A 15 6.767 0.593 1.704 1.00 0.00 H new ATOM 0 HA PHE A 15 6.186 2.272 3.891 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.693 2.947 1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.126 2.332 1.039 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.853 4.952 2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.106 3.566 1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.845 7.128 3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.092 5.739 2.019 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.460 7.525 3.023 1.00 0.00 H new ATOM 230 N ILE A 16 3.577 0.709 2.584 1.00 0.00 N ATOM 231 CA ILE A 16 2.215 0.261 2.856 1.00 0.00 C ATOM 232 C ILE A 16 2.183 -0.621 4.100 1.00 0.00 C ATOM 233 O ILE A 16 1.254 -0.553 4.910 1.00 0.00 O ATOM 234 CB ILE A 16 1.642 -0.528 1.660 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.704 0.320 0.387 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.208 -0.956 1.943 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.380 -0.453 -0.873 1.00 0.00 C ATOM 0 H ILE A 16 3.938 0.421 1.675 1.00 0.00 H new ATOM 0 HA ILE A 16 1.602 1.147 3.021 1.00 0.00 H new ATOM 0 HB ILE A 16 2.247 -1.423 1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.007 1.153 0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.702 0.748 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.181 -1.511 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.186 -1.590 2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.408 -0.073 2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.444 0.212 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.092 -1.270 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.371 -0.859 -0.802 1.00 0.00 H new ATOM 249 N ARG A 17 3.214 -1.437 4.245 1.00 0.00 N ATOM 250 CA ARG A 17 3.344 -2.323 5.388 1.00 0.00 C ATOM 251 C ARG A 17 3.441 -1.522 6.686 1.00 0.00 C ATOM 252 O ARG A 17 2.734 -1.807 7.655 1.00 0.00 O ATOM 253 CB ARG A 17 4.573 -3.212 5.203 1.00 0.00 C ATOM 254 CG ARG A 17 4.847 -4.151 6.361 1.00 0.00 C ATOM 255 CD ARG A 17 5.974 -5.110 6.026 1.00 0.00 C ATOM 256 NE ARG A 17 6.365 -5.920 7.174 1.00 0.00 N ATOM 257 CZ ARG A 17 7.493 -6.626 7.238 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.345 -6.629 6.214 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 7.767 -7.335 8.326 1.00 0.00 N ATOM 0 H ARG A 17 3.981 -1.503 3.576 1.00 0.00 H new ATOM 0 HA ARG A 17 2.457 -2.953 5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.446 -3.802 4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.446 -2.577 5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.107 -3.574 7.248 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.944 -4.714 6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.663 -5.764 5.211 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.836 -4.546 5.671 1.00 0.00 H new ATOM 0 HE ARG A 17 5.737 -5.948 7.977 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.135 -6.089 5.375 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.207 -7.172 6.269 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.115 -7.338 9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.630 -7.877 8.378 1.00 0.00 H new ATOM 273 N GLU A 18 4.295 -0.501 6.689 1.00 0.00 N ATOM 274 CA GLU A 18 4.479 0.337 7.865 1.00 0.00 C ATOM 275 C GLU A 18 3.197 1.076 8.220 1.00 0.00 C ATOM 276 O GLU A 18 2.926 1.329 9.396 1.00 0.00 O ATOM 277 CB GLU A 18 5.621 1.331 7.654 1.00 0.00 C ATOM 278 CG GLU A 18 6.979 0.666 7.541 1.00 0.00 C ATOM 279 CD GLU A 18 8.125 1.655 7.599 1.00 0.00 C ATOM 280 OE1 GLU A 18 7.978 2.703 8.264 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 9.185 1.381 6.996 1.00 0.00 O ATOM 0 H GLU A 18 4.869 -0.236 5.889 1.00 0.00 H new ATOM 0 HA GLU A 18 4.738 -0.317 8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.430 1.907 6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.637 2.037 8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.091 -0.060 8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.030 0.112 6.603 1.00 0.00 H new ATOM 288 N LEU A 19 2.404 1.410 7.205 1.00 0.00 N ATOM 289 CA LEU A 19 1.118 2.060 7.431 1.00 0.00 C ATOM 290 C LEU A 19 0.247 1.193 8.328 1.00 0.00 C ATOM 291 O LEU A 19 -0.285 1.656 9.335 1.00 0.00 O ATOM 292 CB LEU A 19 0.370 2.299 6.115 1.00 0.00 C ATOM 293 CG LEU A 19 1.105 3.114 5.058 1.00 0.00 C ATOM 294 CD1 LEU A 19 0.269 3.213 3.792 1.00 0.00 C ATOM 295 CD2 LEU A 19 1.439 4.497 5.578 1.00 0.00 C ATOM 0 H LEU A 19 2.628 1.242 6.224 1.00 0.00 H new ATOM 0 HA LEU A 19 1.318 3.021 7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.117 1.330 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.570 2.802 6.342 1.00 0.00 H new ATOM 0 HG LEU A 19 2.039 2.604 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.807 3.798 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.080 2.213 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.680 3.699 4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.963 5.059 4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.519 5.017 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.075 4.411 6.459 1.00 0.00 H new ATOM 307 N GLY A 20 0.108 -0.070 7.953 1.00 0.00 N ATOM 308 CA GLY A 20 -0.747 -0.975 8.690 1.00 0.00 C ATOM 309 C GLY A 20 -0.190 -1.350 10.048 1.00 0.00 C ATOM 310 O GLY A 20 -0.949 -1.677 10.957 1.00 0.00 O ATOM 0 H GLY A 20 0.575 -0.485 7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.726 -0.514 8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.897 -1.881 8.103 1.00 0.00 H new ATOM 314 N ASP A 21 1.130 -1.296 10.200 1.00 0.00 N ATOM 315 CA ASP A 21 1.756 -1.658 11.470 1.00 0.00 C ATOM 316 C ASP A 21 1.430 -0.644 12.559 1.00 0.00 C ATOM 317 O ASP A 21 1.227 -1.007 13.718 1.00 0.00 O ATOM 318 CB ASP A 21 3.272 -1.783 11.328 1.00 0.00 C ATOM 319 CG ASP A 21 3.698 -3.053 10.619 1.00 0.00 C ATOM 320 OD1 ASP A 21 3.090 -4.113 10.865 1.00 0.00 O ATOM 321 OD2 ASP A 21 4.663 -3.003 9.834 1.00 0.00 O1- ATOM 0 H ASP A 21 1.781 -1.009 9.470 1.00 0.00 H new ATOM 0 HA ASP A 21 1.348 -2.627 11.758 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.652 -0.922 10.778 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.728 -1.756 12.318 1.00 0.00 H new ATOM 326 N VAL A 22 1.371 0.629 12.192 1.00 0.00 N ATOM 327 CA VAL A 22 1.115 1.673 13.173 1.00 0.00 C ATOM 328 C VAL A 22 -0.346 2.095 13.163 1.00 0.00 C ATOM 329 O VAL A 22 -0.842 2.651 14.140 1.00 0.00 O ATOM 330 CB VAL A 22 2.010 2.912 12.961 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.467 2.570 13.223 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.841 3.476 11.560 1.00 0.00 C ATOM 0 H VAL A 22 1.495 0.960 11.235 1.00 0.00 H new ATOM 0 HA VAL A 22 1.358 1.242 14.144 1.00 0.00 H new ATOM 0 HB VAL A 22 1.699 3.676 13.673 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.082 3.456 13.068 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.580 2.224 14.250 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.785 1.784 12.538 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.483 4.348 11.439 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.116 2.718 10.827 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.802 3.767 11.408 1.00 0.00 H new ATOM 342 N GLY A 23 -1.039 1.815 12.068 1.00 0.00 N ATOM 343 CA GLY A 23 -2.448 2.130 11.996 1.00 0.00 C ATOM 344 C GLY A 23 -2.738 3.360 11.160 1.00 0.00 C ATOM 345 O GLY A 23 -3.589 4.167 11.508 1.00 0.00 O ATOM 0 H GLY A 23 -0.651 1.377 11.232 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.984 1.278 11.577 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.832 2.284 13.004 1.00 0.00 H new ATOM 349 N LEU A 24 -2.006 3.523 10.073 1.00 0.00 N ATOM 350 CA LEU A 24 -2.249 4.619 9.149 1.00 0.00 C ATOM 351 C LEU A 24 -2.871 4.102 7.862 1.00 0.00 C ATOM 352 O LEU A 24 -3.327 4.871 7.016 1.00 0.00 O ATOM 353 CB LEU A 24 -0.946 5.362 8.879 1.00 0.00 C ATOM 354 CG LEU A 24 -0.427 6.141 10.084 1.00 0.00 C ATOM 355 CD1 LEU A 24 1.002 6.595 9.872 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.331 7.329 10.361 1.00 0.00 C ATOM 0 H LEU A 24 -1.236 2.909 9.807 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.955 5.318 9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.187 4.645 8.566 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.096 6.051 8.048 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.436 5.479 10.950 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.342 7.147 10.748 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.641 5.725 9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.053 7.240 8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.954 7.880 11.223 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.348 7.984 9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.341 6.977 10.569 1.00 0.00 H new ATOM 368 N LEU A 25 -2.871 2.786 7.724 1.00 0.00 N ATOM 369 CA LEU A 25 -3.588 2.118 6.651 1.00 0.00 C ATOM 370 C LEU A 25 -4.940 1.632 7.162 1.00 0.00 C ATOM 371 O LEU A 25 -5.742 1.069 6.417 1.00 0.00 O ATOM 372 CB LEU A 25 -2.763 0.940 6.150 1.00 0.00 C ATOM 373 CG LEU A 25 -3.358 0.167 4.985 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.490 1.056 3.759 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.505 -1.047 4.693 1.00 0.00 C ATOM 0 H LEU A 25 -2.375 2.153 8.351 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.752 2.816 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.781 1.308 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.608 0.250 6.979 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.360 -0.168 5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.918 0.482 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.141 1.900 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.506 1.425 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.933 -1.600 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.494 -0.729 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.472 -1.689 5.574 1.00 0.00 H new ATOM 387 N GLU A 26 -5.170 1.862 8.450 1.00 0.00 N ATOM 388 CA GLU A 26 -6.383 1.417 9.123 1.00 0.00 C ATOM 389 C GLU A 26 -7.636 1.899 8.395 1.00 0.00 C ATOM 390 O GLU A 26 -7.690 3.021 7.878 1.00 0.00 O ATOM 391 CB GLU A 26 -6.405 1.903 10.578 1.00 0.00 C ATOM 392 CG GLU A 26 -6.448 3.416 10.723 1.00 0.00 C ATOM 393 CD GLU A 26 -6.908 3.863 12.100 1.00 0.00 C ATOM 394 OE1 GLU A 26 -8.135 3.970 12.310 1.00 0.00 O1- ATOM 395 OE2 GLU A 26 -6.053 4.099 12.981 1.00 0.00 O ATOM 0 H GLU A 26 -4.520 2.362 9.056 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.380 0.327 9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.273 1.475 11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.521 1.524 11.091 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.456 3.823 10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.118 3.830 9.969 1.00 0.00 H new ATOM 402 N TYR A 27 -8.636 1.042 8.355 1.00 0.00 N ATOM 403 CA TYR A 27 -9.884 1.357 7.688 1.00 0.00 C ATOM 404 C TYR A 27 -11.038 0.619 8.349 1.00 0.00 C ATOM 405 O TYR A 27 -10.827 -0.291 9.152 1.00 0.00 O ATOM 406 CB TYR A 27 -9.803 0.998 6.197 1.00 0.00 C ATOM 407 CG TYR A 27 -9.691 -0.487 5.914 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.464 -1.136 5.970 1.00 0.00 C ATOM 409 CD2 TYR A 27 -10.812 -1.235 5.584 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.360 -2.489 5.705 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.717 -2.587 5.320 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.490 -3.211 5.380 1.00 0.00 C ATOM 413 OH TYR A 27 -9.392 -4.560 5.113 1.00 0.00 O ATOM 0 H TYR A 27 -8.608 0.115 8.780 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.061 2.429 7.775 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.689 1.385 5.694 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.942 1.504 5.760 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.577 -0.575 6.225 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.776 -0.751 5.533 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.398 -2.979 5.752 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.601 -3.153 5.067 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.280 -4.917 4.903 1.00 0.00 H new ATOM 423 N GLU A 28 -12.250 1.017 8.006 1.00 0.00 N ATOM 424 CA GLU A 28 -13.449 0.393 8.536 1.00 0.00 C ATOM 425 C GLU A 28 -14.582 0.582 7.543 1.00 0.00 C ATOM 426 O GLU A 28 -15.013 1.707 7.284 1.00 0.00 O ATOM 427 CB GLU A 28 -13.817 0.988 9.899 1.00 0.00 C ATOM 428 CG GLU A 28 -15.030 0.331 10.540 1.00 0.00 C ATOM 429 CD GLU A 28 -14.865 -1.169 10.693 1.00 0.00 C ATOM 430 OE1 GLU A 28 -14.300 -1.610 11.714 1.00 0.00 O ATOM 431 OE2 GLU A 28 -15.300 -1.914 9.793 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.431 1.780 7.354 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.268 -0.672 8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.964 0.892 10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.011 2.054 9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.205 0.776 11.520 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.913 0.536 9.935 1.00 0.00 H new ATOM 438 N LEU A 29 -15.048 -0.514 6.982 1.00 0.00 N ATOM 439 CA LEU A 29 -16.012 -0.459 5.903 1.00 0.00 C ATOM 440 C LEU A 29 -17.432 -0.549 6.433 1.00 0.00 C ATOM 441 O LEU A 29 -17.744 -1.389 7.274 1.00 0.00 O ATOM 442 CB LEU A 29 -15.756 -1.591 4.912 1.00 0.00 C ATOM 443 CG LEU A 29 -14.325 -1.684 4.388 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.177 -2.891 3.485 1.00 0.00 C ATOM 445 CD2 LEU A 29 -13.940 -0.416 3.645 1.00 0.00 C ATOM 0 H LEU A 29 -14.774 -1.457 7.257 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.896 0.499 5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.013 -2.536 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.430 -1.469 4.064 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.653 -1.797 5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.152 -2.947 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.411 -3.796 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.861 -2.800 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.917 -0.504 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.614 -0.270 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.012 0.437 4.320 1.00 0.00 H new ATOM 457 N SER A 30 -18.278 0.333 5.943 1.00 0.00 N ATOM 458 CA SER A 30 -19.693 0.300 6.266 1.00 0.00 C ATOM 459 C SER A 30 -20.435 -0.422 5.153 1.00 0.00 C ATOM 460 O SER A 30 -19.810 -0.839 4.180 1.00 0.00 O ATOM 461 CB SER A 30 -20.220 1.724 6.433 1.00 0.00 C ATOM 462 OG SER A 30 -19.364 2.482 7.272 1.00 0.00 O ATOM 0 H SER A 30 -18.009 1.089 5.314 1.00 0.00 H new ATOM 0 HA SER A 30 -19.850 -0.233 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.299 2.204 5.458 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.223 1.698 6.858 1.00 0.00 H new ATOM 0 HG SER A 30 -19.718 3.391 7.365 1.00 0.00 H new ATOM 468 N GLN A 31 -21.748 -0.563 5.272 1.00 0.00 N ATOM 469 CA GLN A 31 -22.530 -1.263 4.255 1.00 0.00 C ATOM 470 C GLN A 31 -22.323 -0.629 2.886 1.00 0.00 C ATOM 471 O GLN A 31 -22.212 -1.325 1.882 1.00 0.00 O ATOM 472 CB GLN A 31 -24.019 -1.273 4.616 1.00 0.00 C ATOM 473 CG GLN A 31 -24.425 -2.392 5.565 1.00 0.00 C ATOM 474 CD GLN A 31 -23.470 -2.552 6.722 1.00 0.00 C ATOM 475 OE1 GLN A 31 -23.633 -1.934 7.774 1.00 0.00 O ATOM 476 NE2 GLN A 31 -22.456 -3.372 6.528 1.00 0.00 N ATOM 0 H GLN A 31 -22.294 -0.206 6.056 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.181 -2.295 4.217 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.278 -0.316 5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.603 -1.360 3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -25.425 -2.191 5.950 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -24.479 -3.330 5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.361 -3.864 5.639 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -21.767 -3.515 7.266 1.00 0.00 H new ATOM 485 N GLN A 32 -22.234 0.691 2.863 1.00 0.00 N ATOM 486 CA GLN A 32 -22.017 1.430 1.634 1.00 0.00 C ATOM 487 C GLN A 32 -20.641 1.129 1.053 1.00 0.00 C ATOM 488 O GLN A 32 -20.494 0.932 -0.154 1.00 0.00 O ATOM 489 CB GLN A 32 -22.155 2.927 1.900 1.00 0.00 C ATOM 490 CG GLN A 32 -22.269 3.753 0.633 1.00 0.00 C ATOM 491 CD GLN A 32 -23.385 3.254 -0.256 1.00 0.00 C ATOM 492 OE1 GLN A 32 -24.530 3.691 -0.147 1.00 0.00 O ATOM 493 NE2 GLN A 32 -23.063 2.319 -1.131 1.00 0.00 N ATOM 0 H GLN A 32 -22.310 1.277 3.694 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.769 1.120 0.908 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.036 3.099 2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -21.292 3.269 2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -22.448 4.796 0.893 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.325 3.718 0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -22.101 1.984 -1.189 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -23.776 1.932 -1.749 1.00 0.00 H new ATOM 502 N GLU A 33 -19.639 1.084 1.921 1.00 0.00 N ATOM 503 CA GLU A 33 -18.270 0.820 1.497 1.00 0.00 C ATOM 504 C GLU A 33 -18.120 -0.641 1.084 1.00 0.00 C ATOM 505 O GLU A 33 -17.370 -0.969 0.168 1.00 0.00 O ATOM 506 CB GLU A 33 -17.287 1.144 2.626 1.00 0.00 C ATOM 507 CG GLU A 33 -17.415 2.557 3.176 1.00 0.00 C ATOM 508 CD GLU A 33 -17.081 3.627 2.156 1.00 0.00 C ATOM 509 OE1 GLU A 33 -15.882 3.918 1.962 1.00 0.00 O ATOM 510 OE2 GLU A 33 -18.016 4.200 1.560 1.00 0.00 O1- ATOM 0 H GLU A 33 -19.749 1.227 2.925 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.045 1.458 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.438 0.434 3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.270 0.999 2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.433 2.710 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.755 2.666 4.037 1.00 0.00 H new ATOM 517 N LYS A 34 -18.855 -1.517 1.754 1.00 0.00 N ATOM 518 CA LYS A 34 -18.788 -2.943 1.470 1.00 0.00 C ATOM 519 C LYS A 34 -19.619 -3.280 0.240 1.00 0.00 C ATOM 520 O LYS A 34 -19.386 -4.286 -0.425 1.00 0.00 O ATOM 521 CB LYS A 34 -19.269 -3.760 2.674 1.00 0.00 C ATOM 522 CG LYS A 34 -18.347 -3.666 3.880 1.00 0.00 C ATOM 523 CD LYS A 34 -18.874 -4.460 5.065 1.00 0.00 C ATOM 524 CE LYS A 34 -17.933 -4.360 6.257 1.00 0.00 C ATOM 525 NZ LYS A 34 -18.442 -5.095 7.446 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.505 -1.265 2.499 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.748 -3.202 1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.264 -3.419 2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -19.363 -4.805 2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.357 -4.034 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.231 -2.621 4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.860 -4.089 5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.995 -5.505 4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.956 -4.756 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.790 -3.311 6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.766 -4.997 8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.362 -4.701 7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.554 -6.102 7.210 1.00 0.00 H new ATOM 539 N ASP A 35 -20.571 -2.415 -0.072 1.00 0.00 N ATOM 540 CA ASP A 35 -21.471 -2.635 -1.197 1.00 0.00 C ATOM 541 C ASP A 35 -20.749 -2.427 -2.519 1.00 0.00 C ATOM 542 O ASP A 35 -21.046 -3.087 -3.509 1.00 0.00 O ATOM 543 CB ASP A 35 -22.668 -1.690 -1.112 1.00 0.00 C ATOM 544 CG ASP A 35 -23.739 -2.021 -2.129 1.00 0.00 C ATOM 545 OD1 ASP A 35 -24.483 -3.000 -1.913 1.00 0.00 O1- ATOM 546 OD2 ASP A 35 -23.849 -1.303 -3.147 1.00 0.00 O ATOM 0 H ASP A 35 -20.742 -1.549 0.440 1.00 0.00 H new ATOM 0 HA ASP A 35 -21.822 -3.666 -1.149 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -23.095 -1.738 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -22.330 -0.665 -1.265 1.00 0.00 H new ATOM 551 N VAL A 36 -19.794 -1.513 -2.531 1.00 0.00 N ATOM 552 CA VAL A 36 -19.060 -1.216 -3.748 1.00 0.00 C ATOM 553 C VAL A 36 -17.903 -2.193 -3.945 1.00 0.00 C ATOM 554 O VAL A 36 -17.486 -2.460 -5.071 1.00 0.00 O ATOM 555 CB VAL A 36 -18.539 0.238 -3.755 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.699 1.211 -3.633 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.533 0.472 -2.638 1.00 0.00 C ATOM 0 H VAL A 36 -19.510 -0.967 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.755 -1.331 -4.579 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.030 0.408 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.319 2.233 -3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.380 1.072 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.231 1.027 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.186 1.505 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.007 0.279 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.684 -0.200 -2.766 1.00 0.00 H new ATOM 567 N LEU A 37 -17.398 -2.739 -2.843 1.00 0.00 N ATOM 568 CA LEU A 37 -16.262 -3.650 -2.901 1.00 0.00 C ATOM 569 C LEU A 37 -16.720 -5.101 -2.964 1.00 0.00 C ATOM 570 O LEU A 37 -16.365 -5.836 -3.883 1.00 0.00 O ATOM 571 CB LEU A 37 -15.362 -3.445 -1.681 1.00 0.00 C ATOM 572 CG LEU A 37 -14.910 -2.005 -1.454 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.987 -1.916 -0.252 1.00 0.00 C ATOM 574 CD2 LEU A 37 -14.229 -1.462 -2.698 1.00 0.00 C ATOM 0 H LEU A 37 -17.756 -2.567 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.701 -3.429 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.893 -3.788 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.479 -4.075 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.790 -1.395 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.676 -0.881 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.513 -2.264 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.108 -2.538 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.912 -0.434 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.358 -2.074 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.927 -1.487 -3.535 1.00 0.00 H new ATOM 586 N PHE A 38 -17.527 -5.497 -1.994 1.00 0.00 N ATOM 587 CA PHE A 38 -17.983 -6.876 -1.895 1.00 0.00 C ATOM 588 C PHE A 38 -19.306 -7.056 -2.617 1.00 0.00 C ATOM 589 O PHE A 38 -19.650 -8.151 -3.052 1.00 0.00 O ATOM 590 CB PHE A 38 -18.150 -7.280 -0.430 1.00 0.00 C ATOM 591 CG PHE A 38 -16.883 -7.205 0.373 1.00 0.00 C ATOM 592 CD1 PHE A 38 -16.520 -6.030 1.008 1.00 0.00 C ATOM 593 CD2 PHE A 38 -16.059 -8.311 0.496 1.00 0.00 C ATOM 594 CE1 PHE A 38 -15.360 -5.958 1.750 1.00 0.00 C ATOM 595 CE2 PHE A 38 -14.896 -8.244 1.239 1.00 0.00 C ATOM 596 CZ PHE A 38 -14.546 -7.067 1.865 1.00 0.00 C ATOM 0 H PHE A 38 -17.881 -4.882 -1.261 1.00 0.00 H new ATOM 0 HA PHE A 38 -17.231 -7.512 -2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -18.899 -6.636 0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -18.536 -8.299 -0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -17.153 -5.159 0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -16.328 -9.235 0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.089 -5.035 2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -14.262 -9.113 1.329 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.636 -7.012 2.445 1.00 0.00 H new ATOM 606 N GLY A 39 -20.045 -5.965 -2.735 1.00 0.00 N ATOM 607 CA GLY A 39 -21.350 -6.020 -3.359 1.00 0.00 C ATOM 608 C GLY A 39 -22.412 -6.537 -2.412 1.00 0.00 C ATOM 609 O GLY A 39 -23.509 -6.897 -2.835 1.00 0.00 O ATOM 0 H GLY A 39 -19.764 -5.040 -2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -21.628 -5.025 -3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -21.304 -6.663 -4.238 1.00 0.00 H new ATOM 613 N SER A 40 -22.083 -6.565 -1.129 1.00 0.00 N ATOM 614 CA SER A 40 -22.972 -7.108 -0.116 1.00 0.00 C ATOM 615 C SER A 40 -23.939 -6.044 0.402 1.00 0.00 C ATOM 616 O SER A 40 -23.567 -5.298 1.336 1.00 0.00 O ATOM 617 CB SER A 40 -22.137 -7.683 1.029 1.00 0.00 C ATOM 618 OG SER A 40 -21.127 -6.764 1.423 1.00 0.00 O ATOM 619 OXT SER A 40 -25.070 -5.960 -0.124 1.00 0.00 O ATOM 0 H SER A 40 -21.198 -6.214 -0.764 1.00 0.00 H new ATOM 0 HA SER A 40 -23.572 -7.901 -0.562 1.00 0.00 H new ATOM 0 HB2 SER A 40 -22.782 -7.909 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 40 -21.680 -8.622 0.717 1.00 0.00 H new ATOM 0 HG SER A 40 -21.530 -5.886 1.590 1.00 0.00 H new TER 625 SER A 40 ATOM 626 N MET B 41 -2.679 14.729 15.648 1.00 0.00 N ATOM 627 CA MET B 41 -2.332 13.775 16.725 1.00 0.00 C ATOM 628 C MET B 41 -2.513 12.339 16.245 1.00 0.00 C ATOM 629 O MET B 41 -3.333 11.588 16.773 1.00 0.00 O ATOM 630 CB MET B 41 -3.196 14.028 17.964 1.00 0.00 C ATOM 631 CG MET B 41 -2.992 15.404 18.577 1.00 0.00 C ATOM 632 SD MET B 41 -1.279 15.700 19.062 1.00 0.00 S ATOM 633 CE MET B 41 -1.401 17.362 19.721 1.00 0.00 C ATOM 0 HA MET B 41 -1.286 13.925 16.991 1.00 0.00 H new ATOM 0 HB2 MET B 41 -4.246 13.911 17.695 1.00 0.00 H new ATOM 0 HB3 MET B 41 -2.973 13.269 18.714 1.00 0.00 H new ATOM 0 HG2 MET B 41 -3.300 16.166 17.861 1.00 0.00 H new ATOM 0 HG3 MET B 41 -3.636 15.508 19.450 1.00 0.00 H new ATOM 0 HE1 MET B 41 -0.420 17.690 20.064 1.00 0.00 H new ATOM 0 HE2 MET B 41 -1.758 18.037 18.943 1.00 0.00 H new ATOM 0 HE3 MET B 41 -2.100 17.371 20.557 1.00 0.00 H new ATOM 645 N ASN B 42 -1.746 11.966 15.234 1.00 0.00 N ATOM 646 CA ASN B 42 -1.819 10.630 14.663 1.00 0.00 C ATOM 647 C ASN B 42 -0.454 9.971 14.717 1.00 0.00 C ATOM 648 O ASN B 42 0.566 10.655 14.861 1.00 0.00 O ATOM 649 CB ASN B 42 -2.312 10.684 13.214 1.00 0.00 C ATOM 650 CG ASN B 42 -3.717 11.238 13.103 1.00 0.00 C ATOM 651 OD1 ASN B 42 -3.914 12.443 12.954 1.00 0.00 O ATOM 652 ND2 ASN B 42 -4.706 10.364 13.168 1.00 0.00 N ATOM 0 H ASN B 42 -1.060 12.575 14.788 1.00 0.00 H new ATOM 0 HA ASN B 42 -2.528 10.044 15.248 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -1.633 11.301 12.625 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -2.285 9.682 12.786 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -5.673 10.681 13.094 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -4.503 9.372 13.292 1.00 0.00 H new ATOM 659 N LYS B 43 -0.433 8.650 14.622 1.00 0.00 N ATOM 660 CA LYS B 43 0.815 7.908 14.592 1.00 0.00 C ATOM 661 C LYS B 43 1.643 8.275 13.374 1.00 0.00 C ATOM 662 O LYS B 43 1.134 8.808 12.384 1.00 0.00 O ATOM 663 CB LYS B 43 0.575 6.399 14.582 1.00 0.00 C ATOM 664 CG LYS B 43 -0.387 5.944 13.504 1.00 0.00 C ATOM 665 CD LYS B 43 -1.760 5.627 14.064 1.00 0.00 C ATOM 666 CE LYS B 43 -2.844 6.475 13.430 1.00 0.00 C ATOM 667 NZ LYS B 43 -4.203 6.081 13.894 1.00 0.00 N1+ ATOM 0 H LYS B 43 -1.270 8.070 14.564 1.00 0.00 H new ATOM 0 HA LYS B 43 1.357 8.178 15.499 1.00 0.00 H new ATOM 0 HB2 LYS B 43 1.529 5.889 14.445 1.00 0.00 H new ATOM 0 HB3 LYS B 43 0.188 6.095 15.554 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.476 6.722 12.746 1.00 0.00 H new ATOM 0 HG3 LYS B 43 0.015 5.060 13.009 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -1.983 4.573 13.901 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -1.758 5.789 15.142 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -2.669 7.524 13.668 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -2.790 6.381 12.345 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -4.841 6.900 13.834 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -4.566 5.314 13.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -4.152 5.753 14.880 1.00 0.00 H new ATOM 681 N THR B 44 2.916 7.976 13.468 1.00 0.00 N ATOM 682 CA THR B 44 3.838 8.167 12.377 1.00 0.00 C ATOM 683 C THR B 44 4.311 6.814 11.877 1.00 0.00 C ATOM 684 O THR B 44 3.920 5.782 12.426 1.00 0.00 O ATOM 685 CB THR B 44 5.039 9.019 12.816 1.00 0.00 C ATOM 686 OG1 THR B 44 5.407 8.690 14.164 1.00 0.00 O ATOM 687 CG2 THR B 44 4.718 10.499 12.714 1.00 0.00 C ATOM 0 H THR B 44 3.343 7.591 14.310 1.00 0.00 H new ATOM 0 HA THR B 44 3.327 8.696 11.573 1.00 0.00 H new ATOM 0 HB THR B 44 5.875 8.802 12.151 1.00 0.00 H new ATOM 0 HG1 THR B 44 6.174 9.236 14.436 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.583 11.082 13.030 1.00 0.00 H new ATOM 0 HG22 THR B 44 4.471 10.747 11.682 1.00 0.00 H new ATOM 0 HG23 THR B 44 3.869 10.732 13.357 1.00 0.00 H new ATOM 695 N LEU B 45 5.135 6.806 10.849 1.00 0.00 N ATOM 696 CA LEU B 45 5.631 5.548 10.310 1.00 0.00 C ATOM 697 C LEU B 45 6.705 4.954 11.205 1.00 0.00 C ATOM 698 O LEU B 45 7.013 5.490 12.272 1.00 0.00 O ATOM 699 CB LEU B 45 6.159 5.722 8.885 1.00 0.00 C ATOM 700 CG LEU B 45 5.119 6.183 7.870 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.693 6.159 6.467 1.00 0.00 C ATOM 702 CD2 LEU B 45 3.888 5.307 7.948 1.00 0.00 C ATOM 0 H LEU B 45 5.474 7.642 10.373 1.00 0.00 H new ATOM 0 HA LEU B 45 4.791 4.855 10.277 1.00 0.00 H new ATOM 0 HB2 LEU B 45 6.976 6.444 8.901 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.578 4.773 8.549 1.00 0.00 H new ATOM 0 HG LEU B 45 4.837 7.209 8.108 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.935 6.491 5.758 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.555 6.824 6.415 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.003 5.144 6.218 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.153 5.647 7.218 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.162 4.274 7.733 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.461 5.368 8.949 1.00 0.00 H new ATOM 714 N LYS B 46 7.273 3.849 10.771 1.00 0.00 N ATOM 715 CA LYS B 46 8.281 3.157 11.548 1.00 0.00 C ATOM 716 C LYS B 46 9.663 3.641 11.151 1.00 0.00 C ATOM 717 O LYS B 46 10.505 3.939 11.999 1.00 0.00 O ATOM 718 CB LYS B 46 8.150 1.661 11.327 1.00 0.00 C ATOM 719 CG LYS B 46 6.858 1.098 11.880 1.00 0.00 C ATOM 720 CD LYS B 46 6.401 -0.091 11.072 1.00 0.00 C ATOM 721 CE LYS B 46 7.421 -1.218 11.110 1.00 0.00 C ATOM 722 NZ LYS B 46 7.134 -2.273 10.104 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.052 3.408 9.878 1.00 0.00 H new ATOM 0 HA LYS B 46 8.136 3.369 12.607 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.206 1.450 10.259 1.00 0.00 H new ATOM 0 HB3 LYS B 46 8.993 1.154 11.797 1.00 0.00 H new ATOM 0 HG2 LYS B 46 7.000 0.803 12.920 1.00 0.00 H new ATOM 0 HG3 LYS B 46 6.087 1.868 11.870 1.00 0.00 H new ATOM 0 HD2 LYS B 46 5.447 -0.450 11.459 1.00 0.00 H new ATOM 0 HD3 LYS B 46 6.232 0.213 10.039 1.00 0.00 H new ATOM 0 HE2 LYS B 46 8.416 -0.810 10.932 1.00 0.00 H new ATOM 0 HE3 LYS B 46 7.432 -1.662 12.106 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.428 -3.198 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 6.114 -2.290 9.900 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 7.658 -2.070 9.229 1.00 0.00 H new ATOM 736 N THR B 47 9.881 3.717 9.851 1.00 0.00 N ATOM 737 CA THR B 47 11.105 4.268 9.309 1.00 0.00 C ATOM 738 C THR B 47 10.946 5.768 9.116 1.00 0.00 C ATOM 739 O THR B 47 10.007 6.220 8.466 1.00 0.00 O ATOM 740 CB THR B 47 11.446 3.628 7.954 1.00 0.00 C ATOM 741 OG1 THR B 47 11.430 2.198 8.062 1.00 0.00 O ATOM 742 CG2 THR B 47 12.809 4.101 7.473 1.00 0.00 C ATOM 0 H THR B 47 9.216 3.399 9.145 1.00 0.00 H new ATOM 0 HA THR B 47 11.912 4.058 10.011 1.00 0.00 H new ATOM 0 HB THR B 47 10.694 3.934 7.227 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.593 1.851 7.688 1.00 0.00 H new ATOM 0 HG21 THR B 47 13.036 3.639 6.512 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.799 5.185 7.361 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.570 3.818 8.201 1.00 0.00 H new ATOM 750 N LYS B 48 11.868 6.536 9.676 1.00 0.00 N ATOM 751 CA LYS B 48 11.802 7.988 9.595 1.00 0.00 C ATOM 752 C LYS B 48 12.025 8.459 8.162 1.00 0.00 C ATOM 753 O LYS B 48 11.442 9.450 7.727 1.00 0.00 O ATOM 754 CB LYS B 48 12.832 8.612 10.531 1.00 0.00 C ATOM 755 CG LYS B 48 12.733 10.130 10.643 1.00 0.00 C ATOM 756 CD LYS B 48 11.323 10.597 10.992 1.00 0.00 C ATOM 757 CE LYS B 48 10.816 9.971 12.282 1.00 0.00 C ATOM 758 NZ LYS B 48 9.454 10.450 12.640 1.00 0.00 N1+ ATOM 0 H LYS B 48 12.672 6.178 10.192 1.00 0.00 H new ATOM 0 HA LYS B 48 10.807 8.309 9.905 1.00 0.00 H new ATOM 0 HB2 LYS B 48 12.716 8.177 11.524 1.00 0.00 H new ATOM 0 HB3 LYS B 48 13.831 8.349 10.182 1.00 0.00 H new ATOM 0 HG2 LYS B 48 13.428 10.481 11.405 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.039 10.582 9.700 1.00 0.00 H new ATOM 0 HD2 LYS B 48 11.315 11.683 11.089 1.00 0.00 H new ATOM 0 HD3 LYS B 48 10.646 10.344 10.176 1.00 0.00 H new ATOM 0 HE2 LYS B 48 10.802 8.886 12.177 1.00 0.00 H new ATOM 0 HE3 LYS B 48 11.506 10.204 13.093 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.013 9.780 13.302 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 9.522 11.386 13.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 8.873 10.520 11.780 1.00 0.00 H new ATOM 772 N ALA B 49 12.861 7.729 7.432 1.00 0.00 N ATOM 773 CA ALA B 49 13.094 8.008 6.021 1.00 0.00 C ATOM 774 C ALA B 49 11.814 7.822 5.212 1.00 0.00 C ATOM 775 O ALA B 49 11.675 8.365 4.123 1.00 0.00 O ATOM 776 CB ALA B 49 14.196 7.111 5.480 1.00 0.00 C ATOM 0 H ALA B 49 13.390 6.937 7.796 1.00 0.00 H new ATOM 0 HA ALA B 49 13.409 9.047 5.926 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.359 7.331 4.425 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.117 7.291 6.035 1.00 0.00 H new ATOM 0 HB3 ALA B 49 13.903 6.067 5.592 1.00 0.00 H new ATOM 782 N PHE B 50 10.889 7.044 5.754 1.00 0.00 N ATOM 783 CA PHE B 50 9.585 6.841 5.133 1.00 0.00 C ATOM 784 C PHE B 50 8.588 7.853 5.676 1.00 0.00 C ATOM 785 O PHE B 50 7.837 8.477 4.922 1.00 0.00 O ATOM 786 CB PHE B 50 9.075 5.428 5.414 1.00 0.00 C ATOM 787 CG PHE B 50 9.630 4.368 4.509 1.00 0.00 C ATOM 788 CD1 PHE B 50 10.947 4.403 4.083 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.819 3.335 4.079 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.444 3.422 3.248 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.310 2.351 3.243 1.00 0.00 C ATOM 792 CZ PHE B 50 10.625 2.394 2.826 1.00 0.00 C ATOM 0 H PHE B 50 11.018 6.538 6.630 1.00 0.00 H new ATOM 0 HA PHE B 50 9.691 6.975 4.056 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.315 5.168 6.445 1.00 0.00 H new ATOM 0 HB3 PHE B 50 7.988 5.426 5.330 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.592 5.206 4.407 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.789 3.297 4.400 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.474 3.459 2.925 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.665 1.549 2.916 1.00 0.00 H new ATOM 0 HZ PHE B 50 11.012 1.626 2.172 1.00 0.00 H new ATOM 802 N ASP B 51 8.603 8.001 6.996 1.00 0.00 N ATOM 803 CA ASP B 51 7.693 8.894 7.706 1.00 0.00 C ATOM 804 C ASP B 51 7.781 10.311 7.162 1.00 0.00 C ATOM 805 O ASP B 51 6.778 11.018 7.084 1.00 0.00 O ATOM 806 CB ASP B 51 8.024 8.893 9.201 1.00 0.00 C ATOM 807 CG ASP B 51 7.079 9.752 10.008 1.00 0.00 C ATOM 808 OD1 ASP B 51 5.852 9.544 9.912 1.00 0.00 O1- ATOM 809 OD2 ASP B 51 7.567 10.631 10.750 1.00 0.00 O ATOM 0 H ASP B 51 9.250 7.503 7.607 1.00 0.00 H new ATOM 0 HA ASP B 51 6.676 8.532 7.556 1.00 0.00 H new ATOM 0 HB2 ASP B 51 7.989 7.870 9.576 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.044 9.250 9.343 1.00 0.00 H new ATOM 814 N ASP B 52 8.987 10.708 6.770 1.00 0.00 N ATOM 815 CA ASP B 52 9.230 12.045 6.242 1.00 0.00 C ATOM 816 C ASP B 52 8.285 12.369 5.088 1.00 0.00 C ATOM 817 O ASP B 52 7.650 13.420 5.077 1.00 0.00 O ATOM 818 CB ASP B 52 10.680 12.181 5.782 1.00 0.00 C ATOM 819 CG ASP B 52 11.027 13.604 5.403 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.068 14.466 6.307 1.00 0.00 O1- ATOM 821 OD2 ASP B 52 11.262 13.868 4.202 1.00 0.00 O ATOM 0 H ASP B 52 9.817 10.117 6.809 1.00 0.00 H new ATOM 0 HA ASP B 52 9.041 12.757 7.046 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.345 11.846 6.578 1.00 0.00 H new ATOM 0 HB3 ASP B 52 10.851 11.527 4.927 1.00 0.00 H new ATOM 826 N ILE B 53 8.174 11.452 4.137 1.00 0.00 N ATOM 827 CA ILE B 53 7.311 11.658 2.980 1.00 0.00 C ATOM 828 C ILE B 53 5.847 11.699 3.397 1.00 0.00 C ATOM 829 O ILE B 53 5.083 12.535 2.927 1.00 0.00 O ATOM 830 CB ILE B 53 7.496 10.556 1.917 1.00 0.00 C ATOM 831 CG1 ILE B 53 8.942 10.514 1.429 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.546 10.759 0.745 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.765 9.428 2.075 1.00 0.00 C ATOM 0 H ILE B 53 8.669 10.560 4.143 1.00 0.00 H new ATOM 0 HA ILE B 53 7.599 12.614 2.544 1.00 0.00 H new ATOM 0 HB ILE B 53 7.259 9.600 2.384 1.00 0.00 H new ATOM 0 HG12 ILE B 53 8.948 10.369 0.349 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.411 11.478 1.624 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.699 9.967 0.011 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.516 10.729 1.102 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.741 11.726 0.281 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.781 9.458 1.681 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.790 9.583 3.154 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.320 8.457 1.858 1.00 0.00 H new ATOM 845 N TYR B 54 5.472 10.805 4.302 1.00 0.00 N ATOM 846 CA TYR B 54 4.091 10.714 4.763 1.00 0.00 C ATOM 847 C TYR B 54 3.634 12.041 5.367 1.00 0.00 C ATOM 848 O TYR B 54 2.481 12.448 5.205 1.00 0.00 O ATOM 849 CB TYR B 54 3.950 9.586 5.790 1.00 0.00 C ATOM 850 CG TYR B 54 2.518 9.290 6.179 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.720 8.487 5.377 1.00 0.00 C ATOM 852 CD2 TYR B 54 1.963 9.817 7.340 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.412 8.214 5.721 1.00 0.00 C ATOM 854 CE2 TYR B 54 0.652 9.549 7.688 1.00 0.00 C ATOM 855 CZ TYR B 54 -0.118 8.747 6.873 1.00 0.00 C ATOM 856 OH TYR B 54 -1.428 8.483 7.210 1.00 0.00 O ATOM 0 H TYR B 54 6.105 10.131 4.733 1.00 0.00 H new ATOM 0 HA TYR B 54 3.456 10.491 3.906 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.401 8.680 5.385 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.513 9.850 6.685 1.00 0.00 H new ATOM 0 HD1 TYR B 54 2.129 8.069 4.469 1.00 0.00 H new ATOM 0 HD2 TYR B 54 2.565 10.445 7.980 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.194 7.583 5.087 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.234 9.965 8.593 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.758 7.731 6.675 1.00 0.00 H new ATOM 866 N GLN B 55 4.550 12.721 6.041 1.00 0.00 N ATOM 867 CA GLN B 55 4.240 13.989 6.684 1.00 0.00 C ATOM 868 C GLN B 55 4.398 15.147 5.703 1.00 0.00 C ATOM 869 O GLN B 55 3.897 16.245 5.938 1.00 0.00 O ATOM 870 CB GLN B 55 5.150 14.213 7.894 1.00 0.00 C ATOM 871 CG GLN B 55 5.193 13.040 8.865 1.00 0.00 C ATOM 872 CD GLN B 55 3.824 12.639 9.379 1.00 0.00 C ATOM 873 OE1 GLN B 55 2.920 13.465 9.494 1.00 0.00 O ATOM 874 NE2 GLN B 55 3.667 11.368 9.710 1.00 0.00 N ATOM 0 H GLN B 55 5.516 12.415 6.157 1.00 0.00 H new ATOM 0 HA GLN B 55 3.203 13.950 7.019 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.161 14.417 7.542 1.00 0.00 H new ATOM 0 HB3 GLN B 55 4.814 15.101 8.429 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.653 12.184 8.371 1.00 0.00 H new ATOM 0 HG3 GLN B 55 5.830 13.300 9.711 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.441 10.713 9.600 1.00 0.00 H new ATOM 0 HE22 GLN B 55 2.772 11.043 10.075 1.00 0.00 H new ATOM 883 N ASN B 56 5.099 14.897 4.605 1.00 0.00 N ATOM 884 CA ASN B 56 5.377 15.937 3.620 1.00 0.00 C ATOM 885 C ASN B 56 4.686 15.667 2.293 1.00 0.00 C ATOM 886 O ASN B 56 5.181 16.063 1.239 1.00 0.00 O ATOM 887 CB ASN B 56 6.881 16.064 3.389 1.00 0.00 C ATOM 888 CG ASN B 56 7.574 16.794 4.519 1.00 0.00 C ATOM 889 OD1 ASN B 56 7.702 18.018 4.499 1.00 0.00 O ATOM 890 ND2 ASN B 56 8.023 16.048 5.511 1.00 0.00 N ATOM 0 H ASN B 56 5.486 13.982 4.373 1.00 0.00 H new ATOM 0 HA ASN B 56 4.984 16.870 4.024 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.315 15.070 3.281 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.060 16.594 2.453 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.498 16.483 6.302 1.00 0.00 H new ATOM 0 HD22 ASN B 56 7.895 15.036 5.487 1.00 0.00 H new ATOM 897 N SER B 57 3.557 14.987 2.327 1.00 0.00 N ATOM 898 CA SER B 57 2.807 14.727 1.110 1.00 0.00 C ATOM 899 C SER B 57 1.310 14.699 1.385 1.00 0.00 C ATOM 900 O SER B 57 0.740 13.651 1.694 1.00 0.00 O ATOM 901 CB SER B 57 3.264 13.416 0.464 1.00 0.00 C ATOM 902 OG SER B 57 4.615 13.505 0.041 1.00 0.00 O ATOM 0 H SER B 57 3.140 14.606 3.176 1.00 0.00 H new ATOM 0 HA SER B 57 3.004 15.541 0.412 1.00 0.00 H new ATOM 0 HB2 SER B 57 3.155 12.598 1.176 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.626 13.184 -0.389 1.00 0.00 H new ATOM 0 HG SER B 57 5.206 13.242 0.777 1.00 0.00 H new ATOM 908 N ALA B 58 0.681 15.861 1.265 1.00 0.00 N ATOM 909 CA ALA B 58 -0.755 15.989 1.479 1.00 0.00 C ATOM 910 C ALA B 58 -1.527 15.181 0.444 1.00 0.00 C ATOM 911 O ALA B 58 -2.566 14.596 0.744 1.00 0.00 O ATOM 912 CB ALA B 58 -1.167 17.452 1.420 1.00 0.00 C ATOM 0 H ALA B 58 1.147 16.734 1.019 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.992 15.596 2.468 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.242 17.534 1.581 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.640 18.010 2.194 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.915 17.862 0.442 1.00 0.00 H new ATOM 918 N GLU B 59 -0.991 15.138 -0.769 1.00 0.00 N ATOM 919 CA GLU B 59 -1.614 14.403 -1.860 1.00 0.00 C ATOM 920 C GLU B 59 -1.618 12.915 -1.551 1.00 0.00 C ATOM 921 O GLU B 59 -2.622 12.232 -1.716 1.00 0.00 O ATOM 922 CB GLU B 59 -0.851 14.652 -3.160 1.00 0.00 C ATOM 923 CG GLU B 59 -0.658 16.121 -3.478 1.00 0.00 C ATOM 924 CD GLU B 59 0.296 16.345 -4.631 1.00 0.00 C ATOM 925 OE1 GLU B 59 1.524 16.370 -4.392 1.00 0.00 O ATOM 926 OE2 GLU B 59 -0.174 16.505 -5.776 1.00 0.00 O1- ATOM 0 H GLU B 59 -0.121 15.607 -1.022 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.641 14.749 -1.973 1.00 0.00 H new ATOM 0 HB2 GLU B 59 0.125 14.171 -3.096 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -1.387 14.178 -3.982 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -1.623 16.567 -3.718 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -0.280 16.634 -2.594 1.00 0.00 H new ATOM 933 N LEU B 60 -0.481 12.428 -1.081 1.00 0.00 N ATOM 934 CA LEU B 60 -0.334 11.026 -0.715 1.00 0.00 C ATOM 935 C LEU B 60 -1.234 10.710 0.479 1.00 0.00 C ATOM 936 O LEU B 60 -1.806 9.623 0.580 1.00 0.00 O ATOM 937 CB LEU B 60 1.142 10.734 -0.392 1.00 0.00 C ATOM 938 CG LEU B 60 1.563 9.256 -0.333 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.193 8.617 0.997 1.00 0.00 C ATOM 940 CD2 LEU B 60 0.939 8.480 -1.481 1.00 0.00 C ATOM 0 H LEU B 60 0.361 12.987 -0.943 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.637 10.390 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.758 11.232 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.376 11.192 0.569 1.00 0.00 H new ATOM 0 HG LEU B 60 2.648 9.220 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.507 7.573 0.999 1.00 0.00 H new ATOM 0 HD12 LEU B 60 1.693 9.148 1.807 1.00 0.00 H new ATOM 0 HD13 LEU B 60 0.114 8.671 1.139 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.247 7.436 -1.424 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -0.147 8.542 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.269 8.905 -2.429 1.00 0.00 H new ATOM 952 N GLN B 61 -1.375 11.686 1.363 1.00 0.00 N ATOM 953 CA GLN B 61 -2.166 11.527 2.573 1.00 0.00 C ATOM 954 C GLN B 61 -3.661 11.457 2.269 1.00 0.00 C ATOM 955 O GLN B 61 -4.379 10.650 2.862 1.00 0.00 O ATOM 956 CB GLN B 61 -1.867 12.681 3.538 1.00 0.00 C ATOM 957 CG GLN B 61 -2.796 12.787 4.748 1.00 0.00 C ATOM 958 CD GLN B 61 -2.581 11.713 5.810 1.00 0.00 C ATOM 959 OE1 GLN B 61 -2.683 11.992 7.004 1.00 0.00 O ATOM 960 NE2 GLN B 61 -2.350 10.476 5.400 1.00 0.00 N ATOM 0 H GLN B 61 -0.947 12.606 1.262 1.00 0.00 H new ATOM 0 HA GLN B 61 -1.888 10.582 3.039 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -0.843 12.575 3.897 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -1.915 13.617 2.982 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.662 13.766 5.208 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.828 12.736 4.402 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -2.270 10.276 4.403 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.252 9.723 6.081 1.00 0.00 H new ATOM 969 N GLU B 62 -4.124 12.277 1.334 1.00 0.00 N ATOM 970 CA GLU B 62 -5.554 12.373 1.054 1.00 0.00 C ATOM 971 C GLU B 62 -6.054 11.120 0.345 1.00 0.00 C ATOM 972 O GLU B 62 -7.246 10.812 0.364 1.00 0.00 O ATOM 973 CB GLU B 62 -5.861 13.616 0.218 1.00 0.00 C ATOM 974 CG GLU B 62 -5.353 13.550 -1.208 1.00 0.00 C ATOM 975 CD GLU B 62 -5.734 14.774 -2.004 1.00 0.00 C ATOM 976 OE1 GLU B 62 -5.159 15.854 -1.756 1.00 0.00 O1- ATOM 977 OE2 GLU B 62 -6.635 14.669 -2.859 1.00 0.00 O ATOM 0 H GLU B 62 -3.537 12.882 0.760 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.077 12.460 2.006 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.940 13.770 0.200 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.423 14.486 0.707 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.268 13.446 -1.201 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.756 12.662 -1.695 1.00 0.00 H new ATOM 984 N LEU B 63 -5.134 10.397 -0.271 1.00 0.00 N ATOM 985 CA LEU B 63 -5.468 9.162 -0.959 1.00 0.00 C ATOM 986 C LEU B 63 -5.741 8.056 0.046 1.00 0.00 C ATOM 987 O LEU B 63 -6.599 7.206 -0.168 1.00 0.00 O ATOM 988 CB LEU B 63 -4.333 8.771 -1.897 1.00 0.00 C ATOM 989 CG LEU B 63 -4.006 9.817 -2.959 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.681 9.506 -3.618 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.113 9.891 -4.000 1.00 0.00 C ATOM 0 H LEU B 63 -4.146 10.646 -0.308 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.372 9.315 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.438 8.579 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.593 7.836 -2.393 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.930 10.788 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.464 10.262 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -1.892 9.506 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -2.731 8.525 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.860 10.643 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.223 8.921 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -6.051 10.163 -3.515 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.040 8.101 1.171 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.224 7.120 2.232 1.00 0.00 C ATOM 1005 C LEU B 64 -6.478 7.415 3.044 1.00 0.00 C ATOM 1006 O LEU B 64 -6.622 6.946 4.172 1.00 0.00 O ATOM 1007 CB LEU B 64 -3.998 7.070 3.141 1.00 0.00 C ATOM 1008 CG LEU B 64 -2.821 6.263 2.593 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -1.593 6.462 3.461 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.183 4.785 2.514 1.00 0.00 C ATOM 0 H LEU B 64 -4.335 8.810 1.373 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.348 6.144 1.764 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.663 8.090 3.331 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.293 6.647 4.101 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.595 6.619 1.588 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -0.764 5.881 3.057 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.324 7.518 3.474 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -1.808 6.130 4.477 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.335 4.223 2.122 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.433 4.418 3.509 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.041 4.655 1.854 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.364 8.222 2.482 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.639 8.508 3.114 1.00 0.00 C ATOM 1024 C LYS B 65 -9.764 7.741 2.423 1.00 0.00 C ATOM 1025 O LYS B 65 -10.907 7.763 2.876 1.00 0.00 O ATOM 1026 CB LYS B 65 -8.929 10.010 3.078 1.00 0.00 C ATOM 1027 CG LYS B 65 -7.869 10.857 3.771 1.00 0.00 C ATOM 1028 CD LYS B 65 -7.747 10.522 5.253 1.00 0.00 C ATOM 1029 CE LYS B 65 -9.022 10.851 6.013 1.00 0.00 C ATOM 1030 NZ LYS B 65 -8.881 10.598 7.471 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.222 8.691 1.587 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.584 8.186 4.154 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.014 10.329 2.039 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.894 10.196 3.549 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -6.906 10.702 3.284 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -8.117 11.912 3.657 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -7.518 9.463 5.369 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -6.914 11.077 5.684 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -9.282 11.897 5.850 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -9.844 10.253 5.619 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -9.772 10.835 7.952 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -8.658 9.595 7.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -8.114 11.187 7.853 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.444 7.056 1.327 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.446 6.281 0.614 1.00 0.00 C ATOM 1046 C TYR B 66 -10.423 4.840 1.102 1.00 0.00 C ATOM 1047 O TYR B 66 -9.415 4.146 0.978 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.190 6.322 -0.896 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.221 7.709 -1.504 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.420 8.298 -1.874 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.047 8.419 -1.724 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.452 9.554 -2.446 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.069 9.678 -2.293 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.274 10.241 -2.652 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.303 11.493 -3.225 1.00 0.00 O ATOM 0 H TYR B 66 -8.509 7.024 0.920 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.426 6.716 0.810 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.218 5.873 -1.099 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -10.937 5.704 -1.395 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.345 7.765 -1.712 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.101 7.979 -1.445 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.395 9.997 -2.731 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.147 10.217 -2.455 1.00 0.00 H new ATOM 0 HH TYR B 66 -9.390 11.840 -3.299 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.538 4.398 1.666 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.653 3.037 2.187 1.00 0.00 C ATOM 1067 C ASN B 67 -11.441 2.009 1.088 1.00 0.00 C ATOM 1068 O ASN B 67 -10.843 0.965 1.319 1.00 0.00 O ATOM 1069 CB ASN B 67 -13.018 2.822 2.839 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.134 3.488 4.194 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -12.161 3.578 4.945 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.326 3.966 4.513 1.00 0.00 N ATOM 0 H ASN B 67 -12.381 4.962 1.776 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.875 2.906 2.939 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.795 3.211 2.181 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -13.199 1.753 2.948 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.466 4.430 5.410 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.105 3.870 3.862 1.00 0.00 H new ATOM 1079 N THR B 68 -11.929 2.318 -0.106 1.00 0.00 N ATOM 1080 CA THR B 68 -11.761 1.448 -1.264 1.00 0.00 C ATOM 1081 C THR B 68 -10.281 1.208 -1.573 1.00 0.00 C ATOM 1082 O THR B 68 -9.873 0.093 -1.920 1.00 0.00 O ATOM 1083 CB THR B 68 -12.458 2.057 -2.504 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.880 2.019 -2.334 1.00 0.00 O ATOM 1085 CG2 THR B 68 -12.072 1.332 -3.789 1.00 0.00 C ATOM 0 H THR B 68 -12.450 3.174 -0.299 1.00 0.00 H new ATOM 0 HA THR B 68 -12.222 0.490 -1.024 1.00 0.00 H new ATOM 0 HB THR B 68 -12.124 3.091 -2.593 1.00 0.00 H new ATOM 0 HG1 THR B 68 -14.314 2.408 -3.122 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.584 1.792 -4.634 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.994 1.401 -3.936 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.362 0.284 -3.716 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.476 2.247 -1.427 1.00 0.00 N ATOM 1094 CA VAL B 69 -8.071 2.159 -1.780 1.00 0.00 C ATOM 1095 C VAL B 69 -7.271 1.546 -0.634 1.00 0.00 C ATOM 1096 O VAL B 69 -6.397 0.711 -0.864 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.505 3.538 -2.194 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -8.492 4.245 -3.106 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.152 4.406 -1.003 1.00 0.00 C ATOM 0 H VAL B 69 -9.770 3.156 -1.069 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.978 1.503 -2.646 1.00 0.00 H new ATOM 0 HB VAL B 69 -6.574 3.363 -2.733 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -8.089 5.216 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -8.660 3.642 -3.998 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -9.436 4.386 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -6.760 5.361 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.044 4.578 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -6.398 3.904 -0.398 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.607 1.929 0.598 1.00 0.00 N ATOM 1110 CA LYS B 70 -6.977 1.346 1.778 1.00 0.00 C ATOM 1111 C LYS B 70 -7.276 -0.144 1.853 1.00 0.00 C ATOM 1112 O LYS B 70 -6.430 -0.934 2.251 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.457 2.030 3.061 1.00 0.00 C ATOM 1114 CG LYS B 70 -7.022 3.481 3.190 1.00 0.00 C ATOM 1115 CD LYS B 70 -7.396 4.057 4.548 1.00 0.00 C ATOM 1116 CE LYS B 70 -8.903 4.162 4.728 1.00 0.00 C ATOM 1117 NZ LYS B 70 -9.267 4.694 6.069 1.00 0.00 N1+ ATOM 0 H LYS B 70 -8.310 2.639 0.802 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.901 1.498 1.688 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.545 1.983 3.100 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -7.083 1.472 3.919 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -5.944 3.553 3.048 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -7.487 4.073 2.402 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -6.980 3.428 5.335 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -6.948 5.045 4.659 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -9.316 4.811 3.956 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -9.354 3.179 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -10.289 4.577 6.223 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.744 4.174 6.802 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -9.023 5.704 6.120 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.491 -0.512 1.455 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.901 -1.908 1.405 1.00 0.00 C ATOM 1133 C PHE B 71 -7.935 -2.726 0.553 1.00 0.00 C ATOM 1134 O PHE B 71 -7.447 -3.770 0.978 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.321 -2.013 0.839 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.722 -3.403 0.440 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -11.092 -4.336 1.393 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.730 -3.771 -0.895 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.461 -5.612 1.021 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.097 -5.045 -1.273 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.463 -5.967 -0.313 1.00 0.00 C ATOM 0 H PHE B 71 -9.213 0.146 1.160 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.887 -2.310 2.418 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -11.025 -1.643 1.584 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.403 -1.360 -0.030 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -11.092 -4.062 2.438 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.445 -3.052 -1.649 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.748 -6.333 1.773 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.098 -5.321 -2.317 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.751 -6.966 -0.606 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.652 -2.228 -0.642 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.782 -2.932 -1.574 1.00 0.00 C ATOM 1153 C HIS B 72 -5.339 -2.934 -1.084 1.00 0.00 C ATOM 1154 O HIS B 72 -4.633 -3.931 -1.222 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.871 -2.306 -2.964 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.097 -2.699 -3.729 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.255 -1.950 -3.741 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.334 -3.766 -4.526 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.148 -2.542 -4.515 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.614 -3.645 -5.002 1.00 0.00 N ATOM 0 H HIS B 72 -8.012 -1.339 -0.989 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.120 -3.967 -1.633 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.849 -1.221 -2.865 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -5.989 -2.592 -3.538 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -9.399 -1.077 -3.233 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -7.642 -4.566 -4.747 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.147 -2.183 -4.715 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.912 -1.821 -0.499 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.559 -1.707 0.029 1.00 0.00 C ATOM 1171 C LEU B 73 -3.370 -2.616 1.242 1.00 0.00 C ATOM 1172 O LEU B 73 -2.311 -3.207 1.428 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.255 -0.255 0.402 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.230 0.734 -0.766 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -3.026 2.152 -0.259 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.139 0.364 -1.762 1.00 0.00 C ATOM 0 H LEU B 73 -5.484 -0.985 -0.379 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.862 -2.024 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -4.000 0.080 1.123 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.288 -0.222 0.904 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.192 0.683 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -3.011 2.842 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.842 2.419 0.413 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -2.079 2.214 0.277 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.139 1.080 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.170 0.383 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.326 -0.636 -2.152 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.403 -2.738 2.061 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.343 -3.604 3.229 1.00 0.00 C ATOM 1190 C ALA B 74 -4.275 -5.068 2.816 1.00 0.00 C ATOM 1191 O ALA B 74 -3.739 -5.904 3.544 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.533 -3.356 4.140 1.00 0.00 C ATOM 0 H ALA B 74 -5.291 -2.250 1.940 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.434 -3.367 3.782 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.470 -4.013 5.008 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.528 -2.317 4.470 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.456 -3.560 3.597 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.802 -5.371 1.634 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.737 -6.722 1.101 1.00 0.00 C ATOM 1200 C LYS B 75 -3.296 -7.107 0.785 1.00 0.00 C ATOM 1201 O LYS B 75 -2.921 -8.273 0.910 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.609 -6.862 -0.148 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.095 -6.703 0.132 1.00 0.00 C ATOM 1204 CD LYS B 75 -7.935 -6.912 -1.119 1.00 0.00 C ATOM 1205 CE LYS B 75 -7.803 -8.328 -1.657 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.728 -8.580 -2.792 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.277 -4.700 1.031 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.120 -7.401 1.863 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.303 -6.116 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.434 -7.840 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.399 -7.418 0.896 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.284 -5.708 0.534 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -8.981 -6.705 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.628 -6.201 -1.886 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -6.776 -8.499 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -8.007 -9.040 -0.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.606 -9.556 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -9.710 -8.443 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.517 -7.918 -3.566 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.479 -6.132 0.392 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.079 -6.411 0.115 1.00 0.00 C ATOM 1222 C VAL B 76 -0.301 -6.492 1.425 1.00 0.00 C ATOM 1223 O VAL B 76 0.648 -7.260 1.544 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.428 -5.375 -0.843 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.390 -4.991 -1.955 1.00 0.00 C ATOM 1226 CG2 VAL B 76 0.067 -4.138 -0.109 1.00 0.00 C ATOM 0 H VAL B 76 -2.759 -5.160 0.261 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.039 -7.371 -0.400 1.00 0.00 H new ATOM 0 HB VAL B 76 0.445 -5.855 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -0.914 -4.265 -2.614 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.658 -5.879 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.290 -4.553 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.513 -3.446 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -0.771 -3.653 0.392 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.814 -4.428 0.630 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.737 -5.720 2.421 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.128 -5.757 3.747 1.00 0.00 C ATOM 1238 C TYR B 77 -0.250 -7.154 4.346 1.00 0.00 C ATOM 1239 O TYR B 77 0.664 -7.635 5.016 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.775 -4.714 4.666 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.341 -4.818 6.114 1.00 0.00 C ATOM 1242 CD1 TYR B 77 1.005 -4.830 6.463 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.281 -4.908 7.132 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.399 -4.934 7.783 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.896 -5.008 8.453 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.446 -5.023 8.774 1.00 0.00 C ATOM 1247 OH TYR B 77 0.832 -5.133 10.092 1.00 0.00 O ATOM 0 H TYR B 77 -1.511 -5.061 2.332 1.00 0.00 H new ATOM 0 HA TYR B 77 0.930 -5.515 3.651 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.534 -3.718 4.295 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.859 -4.820 4.613 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.755 -4.757 5.689 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.332 -4.900 6.885 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.449 -4.945 8.037 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.641 -5.074 9.232 1.00 0.00 H new ATOM 0 HH TYR B 77 1.697 -4.691 10.217 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.378 -7.805 4.083 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.588 -9.184 4.514 1.00 0.00 C ATOM 1259 C ARG B 78 -0.517 -10.090 3.916 1.00 0.00 C ATOM 1260 O ARG B 78 -0.068 -11.048 4.545 1.00 0.00 O ATOM 1261 CB ARG B 78 -2.965 -9.680 4.091 1.00 0.00 C ATOM 1262 CG ARG B 78 -4.093 -8.824 4.619 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.435 -9.506 4.454 1.00 0.00 C ATOM 1264 NE ARG B 78 -5.687 -9.910 3.067 1.00 0.00 N ATOM 1265 CZ ARG B 78 -6.873 -9.824 2.460 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -7.906 -9.267 3.079 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -7.019 -10.281 1.220 1.00 0.00 N ATOM 0 H ARG B 78 -2.163 -7.400 3.573 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.523 -9.212 5.602 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.016 -9.706 3.003 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.099 -10.703 4.441 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.922 -8.606 5.673 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -4.102 -7.869 4.094 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -5.476 -10.384 5.099 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -6.226 -8.832 4.783 1.00 0.00 H new ATOM 0 HE ARG B 78 -4.904 -10.282 2.530 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.797 -8.901 4.025 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -8.809 -9.205 2.609 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -6.225 -10.697 0.733 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -7.925 -10.216 0.756 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.101 -9.754 2.703 1.00 0.00 N ATOM 1282 CA ILE B 79 0.889 -10.533 1.976 1.00 0.00 C ATOM 1283 C ILE B 79 2.281 -10.356 2.575 1.00 0.00 C ATOM 1284 O ILE B 79 2.992 -11.333 2.796 1.00 0.00 O ATOM 1285 CB ILE B 79 0.923 -10.144 0.487 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.468 -10.278 -0.127 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.918 -11.013 -0.264 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.536 -9.823 -1.564 1.00 0.00 C ATOM 0 H ILE B 79 -0.440 -8.936 2.197 1.00 0.00 H new ATOM 0 HA ILE B 79 0.595 -11.579 2.063 1.00 0.00 H new ATOM 0 HB ILE B 79 1.240 -9.104 0.406 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -0.784 -11.320 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.175 -9.696 0.464 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.931 -10.726 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.913 -10.878 0.161 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.625 -12.059 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.553 -9.946 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.251 -8.773 -1.627 1.00 0.00 H new ATOM 0 HD13 ILE B 79 0.147 -10.421 -2.168 1.00 0.00 H new ATOM 1300 N LEU B 80 2.670 -9.113 2.855 1.00 0.00 N ATOM 1301 CA LEU B 80 3.972 -8.853 3.473 1.00 0.00 C ATOM 1302 C LEU B 80 3.994 -9.370 4.908 1.00 0.00 C ATOM 1303 O LEU B 80 5.047 -9.448 5.542 1.00 0.00 O ATOM 1304 CB LEU B 80 4.338 -7.360 3.457 1.00 0.00 C ATOM 1305 CG LEU B 80 4.676 -6.753 2.086 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.477 -7.725 1.238 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.424 -6.302 1.365 1.00 0.00 C ATOM 0 H LEU B 80 2.112 -8.280 2.668 1.00 0.00 H new ATOM 0 HA LEU B 80 4.716 -9.384 2.879 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.505 -6.800 3.883 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.193 -7.211 4.117 1.00 0.00 H new ATOM 0 HG LEU B 80 5.296 -5.873 2.257 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.701 -7.268 0.274 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.408 -7.971 1.748 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.897 -8.635 1.082 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.694 -5.877 0.398 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.763 -7.156 1.214 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.912 -5.548 1.963 1.00 0.00 H new ATOM 1319 N SER B 81 2.821 -9.735 5.408 1.00 0.00 N ATOM 1320 CA SER B 81 2.690 -10.305 6.734 1.00 0.00 C ATOM 1321 C SER B 81 2.936 -11.813 6.675 1.00 0.00 C ATOM 1322 O SER B 81 2.773 -12.518 7.673 1.00 0.00 O ATOM 1323 CB SER B 81 1.295 -9.997 7.297 1.00 0.00 C ATOM 1324 OG SER B 81 1.155 -10.435 8.640 1.00 0.00 O ATOM 0 H SER B 81 1.939 -9.643 4.905 1.00 0.00 H new ATOM 0 HA SER B 81 3.433 -9.862 7.397 1.00 0.00 H new ATOM 0 HB2 SER B 81 1.112 -8.924 7.245 1.00 0.00 H new ATOM 0 HB3 SER B 81 0.539 -10.480 6.678 1.00 0.00 H new ATOM 0 HG SER B 81 1.746 -11.201 8.798 1.00 0.00 H new ATOM 1330 N SER B 82 3.333 -12.282 5.484 1.00 0.00 N ATOM 1331 CA SER B 82 3.661 -13.684 5.234 1.00 0.00 C ATOM 1332 C SER B 82 2.406 -14.553 5.184 1.00 0.00 C ATOM 1333 O SER B 82 1.449 -14.341 5.930 1.00 0.00 O ATOM 1334 CB SER B 82 4.644 -14.199 6.290 1.00 0.00 C ATOM 1335 OG SER B 82 5.849 -13.449 6.269 1.00 0.00 O ATOM 0 H SER B 82 3.435 -11.688 4.661 1.00 0.00 H new ATOM 0 HA SER B 82 4.139 -13.748 4.256 1.00 0.00 H new ATOM 0 HB2 SER B 82 4.189 -14.135 7.278 1.00 0.00 H new ATOM 0 HB3 SER B 82 4.863 -15.251 6.107 1.00 0.00 H new ATOM 0 HG SER B 82 6.461 -13.794 6.952 1.00 0.00 H new ATOM 1341 N THR B 83 2.410 -15.523 4.271 1.00 0.00 N ATOM 1342 CA THR B 83 1.281 -16.431 4.104 1.00 0.00 C ATOM 1343 C THR B 83 1.210 -17.424 5.262 1.00 0.00 C ATOM 1344 O THR B 83 0.192 -18.087 5.465 1.00 0.00 O ATOM 1345 CB THR B 83 1.370 -17.196 2.762 1.00 0.00 C ATOM 1346 OG1 THR B 83 0.195 -17.996 2.564 1.00 0.00 O ATOM 1347 CG2 THR B 83 2.606 -18.087 2.717 1.00 0.00 C ATOM 0 H THR B 83 3.187 -15.699 3.634 1.00 0.00 H new ATOM 0 HA THR B 83 0.373 -15.827 4.098 1.00 0.00 H new ATOM 0 HB THR B 83 1.445 -16.457 1.964 1.00 0.00 H new ATOM 0 HG1 THR B 83 -0.127 -18.324 3.430 1.00 0.00 H new ATOM 0 HG21 THR B 83 2.642 -18.612 1.762 1.00 0.00 H new ATOM 0 HG22 THR B 83 3.501 -17.474 2.828 1.00 0.00 H new ATOM 0 HG23 THR B 83 2.561 -18.813 3.529 1.00 0.00 H new ATOM 1355 N VAL B 84 2.301 -17.520 6.006 1.00 0.00 N ATOM 1356 CA VAL B 84 2.365 -18.369 7.185 1.00 0.00 C ATOM 1357 C VAL B 84 3.005 -17.612 8.336 1.00 0.00 C ATOM 1358 O VAL B 84 3.478 -16.490 8.162 1.00 0.00 O ATOM 1359 CB VAL B 84 3.158 -19.666 6.925 1.00 0.00 C ATOM 1360 CG1 VAL B 84 2.358 -20.608 6.040 1.00 0.00 C ATOM 1361 CG2 VAL B 84 4.511 -19.359 6.304 1.00 0.00 C ATOM 0 H VAL B 84 3.164 -17.013 5.810 1.00 0.00 H new ATOM 0 HA VAL B 84 1.342 -18.646 7.439 1.00 0.00 H new ATOM 0 HB VAL B 84 3.333 -20.158 7.882 1.00 0.00 H new ATOM 0 HG11 VAL B 84 2.931 -21.519 5.866 1.00 0.00 H new ATOM 0 HG12 VAL B 84 1.418 -20.859 6.532 1.00 0.00 H new ATOM 0 HG13 VAL B 84 2.150 -20.123 5.087 1.00 0.00 H new ATOM 0 HG21 VAL B 84 5.051 -20.290 6.130 1.00 0.00 H new ATOM 0 HG22 VAL B 84 4.367 -18.841 5.356 1.00 0.00 H new ATOM 0 HG23 VAL B 84 5.086 -18.726 6.980 1.00 0.00 H new ATOM 1371 N ASN B 85 3.033 -18.234 9.501 1.00 0.00 N ATOM 1372 CA ASN B 85 3.515 -17.579 10.709 1.00 0.00 C ATOM 1373 C ASN B 85 4.954 -17.974 10.998 1.00 0.00 C ATOM 1374 O ASN B 85 5.417 -17.911 12.140 1.00 0.00 O ATOM 1375 CB ASN B 85 2.613 -17.935 11.893 1.00 0.00 C ATOM 1376 CG ASN B 85 1.180 -17.489 11.674 1.00 0.00 C ATOM 1377 OD1 ASN B 85 0.794 -16.384 12.058 1.00 0.00 O ATOM 1378 ND2 ASN B 85 0.382 -18.348 11.053 1.00 0.00 N ATOM 0 H ASN B 85 2.726 -19.197 9.639 1.00 0.00 H new ATOM 0 HA ASN B 85 3.485 -16.500 10.555 1.00 0.00 H new ATOM 0 HB2 ASN B 85 2.636 -19.013 12.054 1.00 0.00 H new ATOM 0 HB3 ASN B 85 3.003 -17.469 12.798 1.00 0.00 H new ATOM 0 HD21 ASN B 85 -0.592 -18.103 10.877 1.00 0.00 H new ATOM 0 HD22 ASN B 85 0.743 -19.253 10.752 1.00 0.00 H new ATOM 1385 N ASP B 86 5.653 -18.387 9.954 1.00 0.00 N ATOM 1386 CA ASP B 86 7.056 -18.760 10.068 1.00 0.00 C ATOM 1387 C ASP B 86 7.942 -17.676 9.470 1.00 0.00 C ATOM 1388 O ASP B 86 8.875 -17.197 10.111 1.00 0.00 O ATOM 1389 CB ASP B 86 7.321 -20.098 9.376 1.00 0.00 C ATOM 1390 CG ASP B 86 8.789 -20.474 9.386 1.00 0.00 C ATOM 1391 OD1 ASP B 86 9.296 -20.884 10.449 1.00 0.00 O ATOM 1392 OD2 ASP B 86 9.441 -20.364 8.329 1.00 0.00 O1- ATOM 0 H ASP B 86 5.271 -18.473 9.012 1.00 0.00 H new ATOM 0 HA ASP B 86 7.295 -18.867 11.126 1.00 0.00 H new ATOM 0 HB2 ASP B 86 6.745 -20.880 9.871 1.00 0.00 H new ATOM 0 HB3 ASP B 86 6.969 -20.047 8.346 1.00 0.00 H new ATOM 1397 N GLY B 87 7.635 -17.295 8.234 1.00 0.00 N ATOM 1398 CA GLY B 87 8.329 -16.193 7.592 1.00 0.00 C ATOM 1399 C GLY B 87 9.676 -16.590 7.022 1.00 0.00 C ATOM 1400 O GLY B 87 10.347 -15.770 6.393 1.00 0.00 O ATOM 0 H GLY B 87 6.913 -17.733 7.662 1.00 0.00 H new ATOM 0 HA2 GLY B 87 7.705 -15.796 6.791 1.00 0.00 H new ATOM 0 HA3 GLY B 87 8.470 -15.389 8.315 1.00 0.00 H new ATOM 1404 N SER B 88 10.059 -17.851 7.237 1.00 0.00 N ATOM 1405 CA SER B 88 11.347 -18.378 6.803 1.00 0.00 C ATOM 1406 C SER B 88 12.486 -17.816 7.640 1.00 0.00 C ATOM 1407 O SER B 88 12.471 -16.657 8.059 1.00 0.00 O ATOM 1408 CB SER B 88 11.584 -18.092 5.322 1.00 0.00 C ATOM 1409 OG SER B 88 12.889 -18.462 4.911 1.00 0.00 O ATOM 0 H SER B 88 9.478 -18.536 7.720 1.00 0.00 H new ATOM 0 HA SER B 88 11.323 -19.458 6.946 1.00 0.00 H new ATOM 0 HB2 SER B 88 10.849 -18.634 4.726 1.00 0.00 H new ATOM 0 HB3 SER B 88 11.431 -17.030 5.129 1.00 0.00 H new ATOM 0 HG SER B 88 12.848 -18.874 4.023 1.00 0.00 H new ATOM 1415 N SER B 89 13.472 -18.656 7.878 1.00 0.00 N ATOM 1416 CA SER B 89 14.650 -18.259 8.627 1.00 0.00 C ATOM 1417 C SER B 89 15.765 -17.884 7.667 1.00 0.00 C ATOM 1418 O SER B 89 16.837 -17.435 8.068 1.00 0.00 O ATOM 1419 CB SER B 89 15.083 -19.385 9.565 1.00 0.00 C ATOM 1420 OG SER B 89 15.086 -20.635 8.893 1.00 0.00 O ATOM 0 H SER B 89 13.482 -19.626 7.562 1.00 0.00 H new ATOM 0 HA SER B 89 14.415 -17.387 9.237 1.00 0.00 H new ATOM 0 HB2 SER B 89 16.079 -19.175 9.955 1.00 0.00 H new ATOM 0 HB3 SER B 89 14.409 -19.430 10.420 1.00 0.00 H new ATOM 0 HG SER B 89 15.368 -21.339 9.513 1.00 0.00 H new ATOM 1426 N GLY B 90 15.481 -18.065 6.393 1.00 0.00 N ATOM 1427 CA GLY B 90 16.413 -17.685 5.354 1.00 0.00 C ATOM 1428 C GLY B 90 15.916 -16.481 4.598 1.00 0.00 C ATOM 1429 O GLY B 90 16.520 -16.059 3.614 1.00 0.00 O ATOM 0 H GLY B 90 14.610 -18.474 6.053 1.00 0.00 H new ATOM 0 HA2 GLY B 90 17.385 -17.466 5.795 1.00 0.00 H new ATOM 0 HA3 GLY B 90 16.555 -18.518 4.666 1.00 0.00 H new ATOM 1433 N LYS B 91 14.792 -15.946 5.071 1.00 0.00 N ATOM 1434 CA LYS B 91 14.170 -14.759 4.498 1.00 0.00 C ATOM 1435 C LYS B 91 13.804 -14.964 3.032 1.00 0.00 C ATOM 1436 O LYS B 91 13.848 -14.027 2.237 1.00 0.00 O ATOM 1437 CB LYS B 91 15.086 -13.542 4.648 1.00 0.00 C ATOM 1438 CG LYS B 91 15.349 -13.151 6.092 1.00 0.00 C ATOM 1439 CD LYS B 91 16.290 -11.965 6.180 1.00 0.00 C ATOM 1440 CE LYS B 91 16.596 -11.603 7.623 1.00 0.00 C ATOM 1441 NZ LYS B 91 17.567 -10.483 7.719 1.00 0.00 N1+ ATOM 0 H LYS B 91 14.285 -16.329 5.869 1.00 0.00 H new ATOM 0 HA LYS B 91 13.248 -14.578 5.050 1.00 0.00 H new ATOM 0 HB2 LYS B 91 16.037 -13.751 4.158 1.00 0.00 H new ATOM 0 HB3 LYS B 91 14.639 -12.695 4.127 1.00 0.00 H new ATOM 0 HG2 LYS B 91 14.406 -12.907 6.582 1.00 0.00 H new ATOM 0 HG3 LYS B 91 15.777 -13.998 6.628 1.00 0.00 H new ATOM 0 HD2 LYS B 91 17.218 -12.196 5.657 1.00 0.00 H new ATOM 0 HD3 LYS B 91 15.845 -11.108 5.675 1.00 0.00 H new ATOM 0 HE2 LYS B 91 15.672 -11.327 8.132 1.00 0.00 H new ATOM 0 HE3 LYS B 91 16.996 -12.476 8.139 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 17.749 -10.266 8.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 18.458 -10.755 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 17.175 -9.642 7.249 1.00 0.00 H new ATOM 1455 N MET B 92 13.439 -16.186 2.674 1.00 0.00 N ATOM 1456 CA MET B 92 13.033 -16.472 1.307 1.00 0.00 C ATOM 1457 C MET B 92 11.521 -16.404 1.175 1.00 0.00 C ATOM 1458 O MET B 92 11.002 -15.736 0.281 1.00 0.00 O ATOM 1459 CB MET B 92 13.547 -17.833 0.851 1.00 0.00 C ATOM 1460 CG MET B 92 15.064 -17.931 0.832 1.00 0.00 C ATOM 1461 SD MET B 92 15.844 -16.523 0.015 1.00 0.00 S ATOM 1462 CE MET B 92 15.034 -16.573 -1.578 1.00 0.00 C ATOM 0 H MET B 92 13.416 -16.988 3.304 1.00 0.00 H new ATOM 0 HA MET B 92 13.475 -15.713 0.661 1.00 0.00 H new ATOM 0 HB2 MET B 92 13.149 -18.603 1.512 1.00 0.00 H new ATOM 0 HB3 MET B 92 13.164 -18.041 -0.148 1.00 0.00 H new ATOM 0 HG2 MET B 92 15.432 -18.001 1.856 1.00 0.00 H new ATOM 0 HG3 MET B 92 15.358 -18.849 0.324 1.00 0.00 H new ATOM 0 HE1 MET B 92 15.719 -16.214 -2.346 1.00 0.00 H new ATOM 0 HE2 MET B 92 14.740 -17.598 -1.805 1.00 0.00 H new ATOM 0 HE3 MET B 92 14.149 -15.938 -1.556 1.00 0.00 H new ATOM 1472 N ASN B 93 10.818 -17.094 2.068 1.00 0.00 N ATOM 1473 CA ASN B 93 9.359 -17.026 2.117 1.00 0.00 C ATOM 1474 C ASN B 93 8.902 -15.582 2.258 1.00 0.00 C ATOM 1475 O ASN B 93 8.038 -15.119 1.520 1.00 0.00 O ATOM 1476 CB ASN B 93 8.816 -17.856 3.284 1.00 0.00 C ATOM 1477 CG ASN B 93 7.312 -17.718 3.473 1.00 0.00 C ATOM 1478 OD1 ASN B 93 6.815 -17.755 4.599 1.00 0.00 O ATOM 1479 ND2 ASN B 93 6.577 -17.571 2.381 1.00 0.00 N ATOM 0 H ASN B 93 11.234 -17.707 2.769 1.00 0.00 H new ATOM 0 HA ASN B 93 8.969 -17.436 1.185 1.00 0.00 H new ATOM 0 HB2 ASN B 93 9.060 -18.905 3.119 1.00 0.00 H new ATOM 0 HB3 ASN B 93 9.320 -17.553 4.202 1.00 0.00 H new ATOM 0 HD21 ASN B 93 5.564 -17.484 2.456 1.00 0.00 H new ATOM 0 HD22 ASN B 93 7.024 -17.545 1.465 1.00 0.00 H new ATOM 1486 N SER B 94 9.515 -14.869 3.182 1.00 0.00 N ATOM 1487 CA SER B 94 9.147 -13.494 3.449 1.00 0.00 C ATOM 1488 C SER B 94 9.499 -12.593 2.273 1.00 0.00 C ATOM 1489 O SER B 94 8.854 -11.569 2.051 1.00 0.00 O ATOM 1490 CB SER B 94 9.838 -13.018 4.721 1.00 0.00 C ATOM 1491 OG SER B 94 11.214 -13.368 4.710 1.00 0.00 O ATOM 0 H SER B 94 10.275 -15.223 3.763 1.00 0.00 H new ATOM 0 HA SER B 94 8.067 -13.442 3.589 1.00 0.00 H new ATOM 0 HB2 SER B 94 9.734 -11.937 4.814 1.00 0.00 H new ATOM 0 HB3 SER B 94 9.353 -13.461 5.591 1.00 0.00 H new ATOM 0 HG SER B 94 11.639 -13.052 5.535 1.00 0.00 H new ATOM 1497 N ASP B 95 10.510 -12.987 1.508 1.00 0.00 N ATOM 1498 CA ASP B 95 10.933 -12.201 0.358 1.00 0.00 C ATOM 1499 C ASP B 95 10.030 -12.468 -0.837 1.00 0.00 C ATOM 1500 O ASP B 95 9.764 -11.576 -1.639 1.00 0.00 O ATOM 1501 CB ASP B 95 12.384 -12.497 -0.009 1.00 0.00 C ATOM 1502 CG ASP B 95 12.883 -11.607 -1.131 1.00 0.00 C ATOM 1503 OD1 ASP B 95 13.182 -10.423 -0.870 1.00 0.00 O1- ATOM 1504 OD2 ASP B 95 12.981 -12.089 -2.278 1.00 0.00 O ATOM 0 H ASP B 95 11.048 -13.840 1.662 1.00 0.00 H new ATOM 0 HA ASP B 95 10.856 -11.149 0.631 1.00 0.00 H new ATOM 0 HB2 ASP B 95 13.015 -12.360 0.869 1.00 0.00 H new ATOM 0 HB3 ASP B 95 12.476 -13.541 -0.307 1.00 0.00 H new ATOM 1509 N LEU B 96 9.536 -13.697 -0.939 1.00 0.00 N ATOM 1510 CA LEU B 96 8.654 -14.062 -2.039 1.00 0.00 C ATOM 1511 C LEU B 96 7.310 -13.373 -1.855 1.00 0.00 C ATOM 1512 O LEU B 96 6.598 -13.097 -2.820 1.00 0.00 O ATOM 1513 CB LEU B 96 8.512 -15.594 -2.145 1.00 0.00 C ATOM 1514 CG LEU B 96 7.554 -16.281 -1.167 1.00 0.00 C ATOM 1515 CD1 LEU B 96 6.115 -16.198 -1.657 1.00 0.00 C ATOM 1516 CD2 LEU B 96 7.962 -17.729 -0.976 1.00 0.00 C ATOM 0 H LEU B 96 9.729 -14.451 -0.279 1.00 0.00 H new ATOM 0 HA LEU B 96 9.085 -13.724 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU B 96 8.188 -15.833 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.501 -16.034 -2.014 1.00 0.00 H new ATOM 0 HG LEU B 96 7.612 -15.763 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.458 -16.694 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU B 96 5.823 -15.152 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU B 96 6.032 -16.688 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU B 96 7.276 -18.211 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU B 96 7.928 -18.246 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU B 96 8.975 -17.772 -0.576 1.00 0.00 H new ATOM 1528 N GLN B 97 6.984 -13.084 -0.598 1.00 0.00 N ATOM 1529 CA GLN B 97 5.782 -12.333 -0.268 1.00 0.00 C ATOM 1530 C GLN B 97 5.800 -10.972 -0.954 1.00 0.00 C ATOM 1531 O GLN B 97 4.758 -10.466 -1.361 1.00 0.00 O ATOM 1532 CB GLN B 97 5.654 -12.150 1.245 1.00 0.00 C ATOM 1533 CG GLN B 97 5.580 -13.455 2.027 1.00 0.00 C ATOM 1534 CD GLN B 97 4.378 -14.315 1.663 1.00 0.00 C ATOM 1535 OE1 GLN B 97 4.434 -15.541 1.744 1.00 0.00 O ATOM 1536 NE2 GLN B 97 3.276 -13.683 1.293 1.00 0.00 N ATOM 0 H GLN B 97 7.540 -13.361 0.211 1.00 0.00 H new ATOM 0 HA GLN B 97 4.922 -12.899 -0.624 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.506 -11.572 1.603 1.00 0.00 H new ATOM 0 HB3 GLN B 97 4.760 -11.563 1.454 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.492 -14.026 1.852 1.00 0.00 H new ATOM 0 HG3 GLN B 97 5.545 -13.229 3.093 1.00 0.00 H new ATOM 0 HE21 GLN B 97 3.267 -12.665 1.237 1.00 0.00 H new ATOM 0 HE22 GLN B 97 2.436 -14.214 1.064 1.00 0.00 H new ATOM 1545 N LYS B 98 6.989 -10.384 -1.095 1.00 0.00 N ATOM 1546 CA LYS B 98 7.124 -9.107 -1.789 1.00 0.00 C ATOM 1547 C LYS B 98 6.618 -9.225 -3.218 1.00 0.00 C ATOM 1548 O LYS B 98 5.878 -8.368 -3.691 1.00 0.00 O ATOM 1549 CB LYS B 98 8.575 -8.607 -1.798 1.00 0.00 C ATOM 1550 CG LYS B 98 9.004 -7.891 -0.524 1.00 0.00 C ATOM 1551 CD LYS B 98 9.305 -8.863 0.600 1.00 0.00 C ATOM 1552 CE LYS B 98 9.766 -8.144 1.858 1.00 0.00 C ATOM 1553 NZ LYS B 98 11.001 -7.346 1.631 1.00 0.00 N1+ ATOM 0 H LYS B 98 7.864 -10.769 -0.740 1.00 0.00 H new ATOM 0 HA LYS B 98 6.521 -8.381 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.238 -9.457 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS B 98 8.708 -7.930 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS B 98 9.888 -7.287 -0.728 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.216 -7.206 -0.210 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.414 -9.449 0.822 1.00 0.00 H new ATOM 0 HD3 LYS B 98 10.076 -9.564 0.278 1.00 0.00 H new ATOM 0 HE2 LYS B 98 8.971 -7.487 2.210 1.00 0.00 H new ATOM 0 HE3 LYS B 98 9.948 -8.875 2.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 11.400 -7.056 2.547 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 11.697 -7.922 1.116 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.770 -6.501 1.071 1.00 0.00 H new ATOM 1567 N GLU B 99 6.998 -10.306 -3.888 1.00 0.00 N ATOM 1568 CA GLU B 99 6.583 -10.532 -5.265 1.00 0.00 C ATOM 1569 C GLU B 99 5.069 -10.621 -5.349 1.00 0.00 C ATOM 1570 O GLU B 99 4.443 -9.978 -6.191 1.00 0.00 O ATOM 1571 CB GLU B 99 7.193 -11.819 -5.810 1.00 0.00 C ATOM 1572 CG GLU B 99 7.088 -11.941 -7.320 1.00 0.00 C ATOM 1573 CD GLU B 99 7.807 -13.158 -7.858 1.00 0.00 C ATOM 1574 OE1 GLU B 99 9.028 -13.279 -7.630 1.00 0.00 O ATOM 1575 OE2 GLU B 99 7.162 -13.987 -8.530 1.00 0.00 O1- ATOM 0 H GLU B 99 7.592 -11.039 -3.500 1.00 0.00 H new ATOM 0 HA GLU B 99 6.933 -9.692 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU B 99 8.243 -11.866 -5.521 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.696 -12.672 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU B 99 6.037 -11.990 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU B 99 7.502 -11.045 -7.783 1.00 0.00 H new ATOM 1582 N LEU B 100 4.482 -11.413 -4.463 1.00 0.00 N ATOM 1583 CA LEU B 100 3.038 -11.580 -4.437 1.00 0.00 C ATOM 1584 C LEU B 100 2.352 -10.258 -4.108 1.00 0.00 C ATOM 1585 O LEU B 100 1.263 -9.974 -4.605 1.00 0.00 O ATOM 1586 CB LEU B 100 2.624 -12.664 -3.433 1.00 0.00 C ATOM 1587 CG LEU B 100 2.690 -14.112 -3.944 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.758 -14.306 -5.128 1.00 0.00 C ATOM 1589 CD2 LEU B 100 4.112 -14.498 -4.325 1.00 0.00 C ATOM 0 H LEU B 100 4.983 -11.949 -3.754 1.00 0.00 H new ATOM 0 HA LEU B 100 2.719 -11.900 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.262 -12.580 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.604 -12.460 -3.107 1.00 0.00 H new ATOM 0 HG LEU B 100 2.367 -14.764 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU B 100 1.820 -15.338 -5.475 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.734 -14.086 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU B 100 2.050 -13.634 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU B 100 4.126 -15.528 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.470 -13.835 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.760 -14.408 -3.453 1.00 0.00 H new ATOM 1601 N ALA B 101 3.006 -9.445 -3.286 1.00 0.00 N ATOM 1602 CA ALA B 101 2.509 -8.114 -2.976 1.00 0.00 C ATOM 1603 C ALA B 101 2.510 -7.248 -4.234 1.00 0.00 C ATOM 1604 O ALA B 101 1.532 -6.565 -4.528 1.00 0.00 O ATOM 1605 CB ALA B 101 3.343 -7.473 -1.871 1.00 0.00 C ATOM 0 H ALA B 101 3.882 -9.687 -2.823 1.00 0.00 H new ATOM 0 HA ALA B 101 1.484 -8.197 -2.616 1.00 0.00 H new ATOM 0 HB1 ALA B 101 2.955 -6.478 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.290 -8.087 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.380 -7.395 -2.197 1.00 0.00 H new ATOM 1611 N VAL B 102 3.604 -7.314 -4.990 1.00 0.00 N ATOM 1612 CA VAL B 102 3.731 -6.565 -6.240 1.00 0.00 C ATOM 1613 C VAL B 102 2.641 -6.977 -7.224 1.00 0.00 C ATOM 1614 O VAL B 102 2.107 -6.148 -7.958 1.00 0.00 O ATOM 1615 CB VAL B 102 5.115 -6.772 -6.897 1.00 0.00 C ATOM 1616 CG1 VAL B 102 5.231 -5.980 -8.193 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.226 -6.379 -5.940 1.00 0.00 C ATOM 0 H VAL B 102 4.419 -7.881 -4.758 1.00 0.00 H new ATOM 0 HA VAL B 102 3.623 -5.509 -5.992 1.00 0.00 H new ATOM 0 HB VAL B 102 5.216 -7.831 -7.134 1.00 0.00 H new ATOM 0 HG11 VAL B 102 6.215 -6.145 -8.633 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.461 -6.310 -8.891 1.00 0.00 H new ATOM 0 HG13 VAL B 102 5.100 -4.918 -7.984 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.192 -6.532 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL B 102 6.118 -5.329 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.167 -6.994 -5.042 1.00 0.00 H new ATOM 1627 N ASN B 103 2.302 -8.263 -7.210 1.00 0.00 N ATOM 1628 CA ASN B 103 1.243 -8.795 -8.064 1.00 0.00 C ATOM 1629 C ASN B 103 -0.079 -8.071 -7.823 1.00 0.00 C ATOM 1630 O ASN B 103 -0.896 -7.928 -8.732 1.00 0.00 O ATOM 1631 CB ASN B 103 1.067 -10.299 -7.824 1.00 0.00 C ATOM 1632 CG ASN B 103 2.018 -11.153 -8.646 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.711 -11.529 -9.778 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.174 -11.471 -8.088 1.00 0.00 N ATOM 0 H ASN B 103 2.748 -8.960 -6.613 1.00 0.00 H new ATOM 0 HA ASN B 103 1.538 -8.631 -9.100 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.221 -10.512 -6.766 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.041 -10.580 -8.060 1.00 0.00 H new ATOM 0 HD21 ASN B 103 3.845 -12.046 -8.597 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.394 -11.142 -7.148 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.278 -7.595 -6.601 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.487 -6.864 -6.260 1.00 0.00 C ATOM 1643 C TYR B 104 -1.396 -5.423 -6.743 1.00 0.00 C ATOM 1644 O TYR B 104 -2.369 -4.874 -7.248 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.735 -6.894 -4.753 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.410 -8.154 -4.252 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.033 -9.409 -4.711 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.421 -8.080 -3.302 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -2.645 -10.554 -4.238 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.039 -9.220 -2.826 1.00 0.00 C ATOM 1651 CZ TYR B 104 -3.647 -10.454 -3.297 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.256 -11.590 -2.816 1.00 0.00 O ATOM 0 H TYR B 104 0.383 -7.703 -5.831 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.325 -7.351 -6.759 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.781 -6.779 -4.238 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.349 -6.035 -4.482 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.249 -9.492 -5.449 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -3.729 -7.114 -2.929 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.339 -11.523 -4.604 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -4.825 -9.144 -2.089 1.00 0.00 H new ATOM 0 HH TYR B 104 -4.939 -11.342 -2.159 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.224 -4.817 -6.603 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.030 -3.443 -7.056 1.00 0.00 C ATOM 1664 C LEU B 105 -0.057 -3.366 -8.578 1.00 0.00 C ATOM 1665 O LEU B 105 -0.453 -2.353 -9.146 1.00 0.00 O ATOM 1666 CB LEU B 105 1.285 -2.851 -6.535 1.00 0.00 C ATOM 1667 CG LEU B 105 1.292 -2.378 -5.072 1.00 0.00 C ATOM 1668 CD1 LEU B 105 0.107 -1.468 -4.791 1.00 0.00 C ATOM 1669 CD2 LEU B 105 1.301 -3.554 -4.112 1.00 0.00 C ATOM 0 H LEU B 105 0.600 -5.249 -6.184 1.00 0.00 H new ATOM 0 HA LEU B 105 -0.853 -2.855 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU B 105 2.068 -3.600 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.553 -2.005 -7.168 1.00 0.00 H new ATOM 0 HG LEU B 105 2.208 -1.809 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU B 105 0.134 -1.147 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU B 105 0.156 -0.595 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.820 -2.009 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU B 105 1.306 -3.186 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.412 -4.163 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU B 105 2.192 -4.158 -4.285 1.00 0.00 H new ATOM 1681 N ASN B 106 0.359 -4.442 -9.235 1.00 0.00 N ATOM 1682 CA ASN B 106 0.358 -4.487 -10.695 1.00 0.00 C ATOM 1683 C ASN B 106 -1.062 -4.526 -11.230 1.00 0.00 C ATOM 1684 O ASN B 106 -1.357 -3.959 -12.284 1.00 0.00 O ATOM 1685 CB ASN B 106 1.141 -5.693 -11.221 1.00 0.00 C ATOM 1686 CG ASN B 106 2.640 -5.511 -11.105 1.00 0.00 C ATOM 1687 OD1 ASN B 106 3.146 -4.388 -11.107 1.00 0.00 O ATOM 1688 ND2 ASN B 106 3.361 -6.617 -11.025 1.00 0.00 N ATOM 0 H ASN B 106 0.700 -5.291 -8.785 1.00 0.00 H new ATOM 0 HA ASN B 106 0.849 -3.580 -11.047 1.00 0.00 H new ATOM 0 HB2 ASN B 106 0.843 -6.584 -10.668 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.879 -5.864 -12.265 1.00 0.00 H new ATOM 0 HD21 ASN B 106 4.377 -6.560 -10.962 1.00 0.00 H new ATOM 0 HD22 ASN B 106 2.901 -7.527 -11.027 1.00 0.00 H new ATOM 1695 N THR B 107 -1.946 -5.184 -10.496 1.00 0.00 N ATOM 1696 CA THR B 107 -3.338 -5.275 -10.896 1.00 0.00 C ATOM 1697 C THR B 107 -4.092 -4.012 -10.492 1.00 0.00 C ATOM 1698 O THR B 107 -5.205 -3.762 -10.963 1.00 0.00 O ATOM 1699 CB THR B 107 -4.016 -6.521 -10.294 1.00 0.00 C ATOM 1700 OG1 THR B 107 -3.866 -6.526 -8.872 1.00 0.00 O ATOM 1701 CG2 THR B 107 -3.409 -7.790 -10.868 1.00 0.00 C ATOM 0 H THR B 107 -1.723 -5.661 -9.622 1.00 0.00 H new ATOM 0 HA THR B 107 -3.367 -5.371 -11.981 1.00 0.00 H new ATOM 0 HB THR B 107 -5.076 -6.487 -10.548 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.364 -5.732 -8.593 1.00 0.00 H new ATOM 0 HG21 THR B 107 -3.901 -8.659 -10.431 1.00 0.00 H new ATOM 0 HG22 THR B 107 -3.546 -7.802 -11.949 1.00 0.00 H new ATOM 0 HG23 THR B 107 -2.344 -7.821 -10.636 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.470 -3.219 -9.619 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.012 -1.923 -9.233 1.00 0.00 C ATOM 1711 C LEU B 108 -3.386 -0.824 -10.079 1.00 0.00 C ATOM 1712 O LEU B 108 -3.735 0.352 -9.956 1.00 0.00 O ATOM 1713 CB LEU B 108 -3.749 -1.626 -7.756 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.286 -2.655 -6.766 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -3.954 -2.248 -5.338 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -5.787 -2.835 -6.938 1.00 0.00 C ATOM 0 H LEU B 108 -2.587 -3.456 -9.166 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.089 -1.953 -9.396 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.673 -1.536 -7.609 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -4.186 -0.657 -7.516 1.00 0.00 H new ATOM 0 HG LEU B 108 -3.803 -3.610 -6.971 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -4.345 -2.994 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -2.873 -2.177 -5.222 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -4.406 -1.280 -5.121 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -6.149 -3.573 -6.222 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.290 -1.884 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -5.999 -3.177 -7.951 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.458 -1.222 -10.932 1.00 0.00 N ATOM 1729 CA ARG B 109 -1.746 -0.297 -11.794 1.00 0.00 C ATOM 1730 C ARG B 109 -2.512 -0.143 -13.104 1.00 0.00 C ATOM 1731 O ARG B 109 -3.394 -0.951 -13.398 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.331 -0.827 -12.046 1.00 0.00 C ATOM 1733 CG ARG B 109 0.674 0.229 -12.471 1.00 0.00 C ATOM 1734 CD ARG B 109 2.075 -0.357 -12.555 1.00 0.00 C ATOM 1735 NE ARG B 109 3.092 0.676 -12.728 1.00 0.00 N ATOM 1736 CZ ARG B 109 4.313 0.622 -12.193 1.00 0.00 C ATOM 1737 NH1 ARG B 109 4.701 -0.442 -11.495 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 5.152 1.632 -12.365 1.00 0.00 N ATOM 0 H ARG B 109 -2.177 -2.196 -11.046 1.00 0.00 H new ATOM 0 HA ARG B 109 -1.669 0.681 -11.318 1.00 0.00 H new ATOM 0 HB2 ARG B 109 0.030 -1.308 -11.137 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.377 -1.596 -12.817 1.00 0.00 H new ATOM 0 HG2 ARG B 109 0.389 0.639 -13.440 1.00 0.00 H new ATOM 0 HG3 ARG B 109 0.663 1.055 -11.759 1.00 0.00 H new ATOM 0 HD2 ARG B 109 2.285 -0.924 -11.648 1.00 0.00 H new ATOM 0 HD3 ARG B 109 2.125 -1.058 -13.388 1.00 0.00 H new ATOM 0 HE ARG B 109 2.854 1.491 -13.294 1.00 0.00 H new ATOM 0 HH11 ARG B 109 4.063 -1.227 -11.365 1.00 0.00 H new ATOM 0 HH12 ARG B 109 5.637 -0.473 -11.090 1.00 0.00 H new ATOM 0 HH21 ARG B 109 4.864 2.448 -12.905 1.00 0.00 H new ATOM 0 HH22 ARG B 109 6.086 1.594 -11.957 1.00 0.00 H new ATOM 1752 N TYR B 110 -2.181 0.887 -13.874 1.00 0.00 N ATOM 1753 CA TYR B 110 -2.855 1.159 -15.139 1.00 0.00 C ATOM 1754 C TYR B 110 -2.935 -0.090 -16.008 1.00 0.00 C ATOM 1755 O TYR B 110 -1.949 -0.810 -16.178 1.00 0.00 O ATOM 1756 CB TYR B 110 -2.129 2.268 -15.899 1.00 0.00 C ATOM 1757 CG TYR B 110 -2.885 2.765 -17.107 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -4.084 3.447 -16.959 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -2.405 2.550 -18.392 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -4.783 3.904 -18.055 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -3.100 3.006 -19.496 1.00 0.00 C ATOM 1762 CZ TYR B 110 -4.287 3.682 -19.320 1.00 0.00 C ATOM 1763 OH TYR B 110 -4.981 4.144 -20.413 1.00 0.00 O ATOM 0 H TYR B 110 -1.444 1.553 -13.642 1.00 0.00 H new ATOM 0 HA TYR B 110 -3.871 1.481 -14.909 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -1.950 3.104 -15.223 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -1.153 1.901 -16.217 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -4.476 3.623 -15.968 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -1.475 2.019 -18.531 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -5.715 4.433 -17.922 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -2.715 2.833 -20.490 1.00 0.00 H new ATOM 0 HH TYR B 110 -4.497 3.907 -21.232 1.00 0.00 H new ATOM 1773 N GLY B 111 -4.121 -0.347 -16.541 1.00 0.00 N ATOM 1774 CA GLY B 111 -4.320 -1.493 -17.399 1.00 0.00 C ATOM 1775 C GLY B 111 -4.520 -2.775 -16.624 1.00 0.00 C ATOM 1776 O GLY B 111 -4.382 -3.867 -17.174 1.00 0.00 O ATOM 0 H GLY B 111 -4.953 0.223 -16.392 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -5.188 -1.319 -18.035 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -3.459 -1.602 -18.058 1.00 0.00 H new ATOM 1780 N GLY B 112 -4.841 -2.647 -15.345 1.00 0.00 N ATOM 1781 CA GLY B 112 -5.066 -3.811 -14.520 1.00 0.00 C ATOM 1782 C GLY B 112 -6.497 -4.299 -14.594 1.00 0.00 C ATOM 1783 O GLY B 112 -7.184 -4.090 -15.596 1.00 0.00 O ATOM 0 H GLY B 112 -4.949 -1.754 -14.864 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -4.395 -4.611 -14.833 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -4.818 -3.574 -13.485 1.00 0.00 H new ATOM 1787 N ILE B 113 -6.948 -4.939 -13.529 1.00 0.00 N ATOM 1788 CA ILE B 113 -8.293 -5.499 -13.482 1.00 0.00 C ATOM 1789 C ILE B 113 -9.141 -4.810 -12.423 1.00 0.00 C ATOM 1790 O ILE B 113 -10.351 -4.663 -12.579 1.00 0.00 O ATOM 1791 CB ILE B 113 -8.269 -7.019 -13.212 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -7.353 -7.346 -12.029 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -7.827 -7.766 -14.461 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -7.303 -8.820 -11.683 1.00 0.00 C ATOM 0 H ILE B 113 -6.402 -5.086 -12.680 1.00 0.00 H new ATOM 0 HA ILE B 113 -8.738 -5.327 -14.462 1.00 0.00 H new ATOM 0 HB ILE B 113 -9.277 -7.342 -12.954 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -6.344 -7.001 -12.257 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -7.691 -6.789 -11.155 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -7.814 -8.837 -14.259 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -8.523 -7.559 -15.274 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -6.827 -7.438 -14.746 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -6.634 -8.972 -10.836 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -8.303 -9.167 -11.423 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -6.936 -9.383 -12.541 1.00 0.00 H new ATOM 1806 N HIS B 114 -8.503 -4.395 -11.339 1.00 0.00 N ATOM 1807 CA HIS B 114 -9.195 -3.693 -10.266 1.00 0.00 C ATOM 1808 C HIS B 114 -8.426 -2.436 -9.902 1.00 0.00 C ATOM 1809 O HIS B 114 -8.305 -2.084 -8.727 1.00 0.00 O ATOM 1810 CB HIS B 114 -9.334 -4.585 -9.027 1.00 0.00 C ATOM 1811 CG HIS B 114 -9.952 -5.922 -9.297 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -9.364 -7.105 -8.918 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -11.111 -6.261 -9.911 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -10.127 -8.112 -9.286 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -11.194 -7.629 -9.889 1.00 0.00 N ATOM 0 H HIS B 114 -7.505 -4.532 -11.178 1.00 0.00 H new ATOM 0 HA HIS B 114 -10.193 -3.429 -10.615 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -8.347 -4.736 -8.589 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -9.936 -4.063 -8.283 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -11.834 -5.581 -10.338 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -9.914 -9.158 -9.121 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -11.958 -8.183 -10.277 1.00 0.00 H new ATOM 1824 N TYR B 115 -7.898 -1.763 -10.913 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.041 -0.619 -10.681 1.00 0.00 C ATOM 1826 C TYR B 115 -7.866 0.591 -10.279 1.00 0.00 C ATOM 1827 O TYR B 115 -8.946 0.839 -10.819 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.146 -0.346 -11.907 1.00 0.00 C ATOM 1829 CG TYR B 115 -6.544 0.825 -12.782 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.251 2.130 -12.403 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -7.187 0.623 -13.994 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -6.594 3.199 -13.205 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -7.534 1.688 -14.803 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.235 2.974 -14.402 1.00 0.00 C ATOM 1835 OH TYR B 115 -7.581 4.043 -15.201 1.00 0.00 O ATOM 0 H TYR B 115 -8.049 -1.990 -11.896 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.373 -0.840 -9.849 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.127 -0.180 -11.557 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.129 -1.244 -12.525 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -5.747 2.310 -11.465 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -7.420 -0.383 -14.311 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -6.361 4.207 -12.895 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -8.036 1.515 -15.743 1.00 0.00 H new ATOM 0 HH TYR B 115 -8.025 3.716 -16.011 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.351 1.330 -9.312 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.065 2.457 -8.739 1.00 0.00 C ATOM 1847 C ASN B 116 -7.302 3.745 -8.961 1.00 0.00 C ATOM 1848 O ASN B 116 -6.070 3.777 -8.922 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.284 2.233 -7.243 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.500 1.377 -6.955 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -10.588 1.895 -6.714 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -9.333 0.063 -6.988 1.00 0.00 N ATOM 0 H ASN B 116 -6.431 1.167 -8.904 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.032 2.538 -9.235 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.400 1.758 -6.817 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.397 3.197 -6.748 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.124 -0.556 -6.810 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -8.414 -0.329 -7.192 1.00 0.00 H new ATOM 1859 N GLU B 117 -8.067 4.805 -9.174 1.00 0.00 N ATOM 1860 CA GLU B 117 -7.534 6.124 -9.479 1.00 0.00 C ATOM 1861 C GLU B 117 -6.620 6.640 -8.378 1.00 0.00 C ATOM 1862 O GLU B 117 -5.634 7.325 -8.648 1.00 0.00 O ATOM 1863 CB GLU B 117 -8.685 7.114 -9.722 1.00 0.00 C ATOM 1864 CG GLU B 117 -9.966 6.833 -8.925 1.00 0.00 C ATOM 1865 CD GLU B 117 -9.785 6.853 -7.420 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -9.844 7.948 -6.820 1.00 0.00 O1- ATOM 1867 OE2 GLU B 117 -9.590 5.766 -6.832 1.00 0.00 O ATOM 0 H GLU B 117 -9.086 4.773 -9.140 1.00 0.00 H new ATOM 0 HA GLU B 117 -6.934 6.035 -10.384 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -8.337 8.118 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -8.929 7.110 -10.784 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -10.719 7.573 -9.198 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -10.356 5.858 -9.219 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.949 6.305 -7.146 1.00 0.00 N ATOM 1875 CA ALA B 118 -6.208 6.790 -6.005 1.00 0.00 C ATOM 1876 C ALA B 118 -4.984 5.929 -5.735 1.00 0.00 C ATOM 1877 O ALA B 118 -3.984 6.417 -5.225 1.00 0.00 O ATOM 1878 CB ALA B 118 -7.116 6.842 -4.795 1.00 0.00 C ATOM 0 H ALA B 118 -7.731 5.694 -6.912 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.851 7.797 -6.222 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.555 7.208 -3.935 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -7.952 7.513 -4.996 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.496 5.843 -4.582 1.00 0.00 H new ATOM 1884 N ILE B 119 -5.069 4.647 -6.077 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.930 3.744 -5.928 1.00 0.00 C ATOM 1886 C ILE B 119 -2.783 4.169 -6.842 1.00 0.00 C ATOM 1887 O ILE B 119 -1.625 4.189 -6.422 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.304 2.275 -6.223 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.391 1.789 -5.257 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -3.068 1.385 -6.123 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -4.945 1.740 -3.811 1.00 0.00 C ATOM 0 H ILE B 119 -5.909 4.211 -6.457 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.614 3.808 -4.887 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.697 2.216 -7.238 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.257 2.446 -5.339 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.716 0.794 -5.561 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.345 0.352 -6.333 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.323 1.715 -6.847 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.652 1.452 -5.118 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.767 1.387 -3.188 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -4.099 1.060 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.648 2.738 -3.488 1.00 0.00 H new ATOM 1903 N GLU B 120 -3.103 4.515 -8.087 1.00 0.00 N ATOM 1904 CA GLU B 120 -2.086 5.011 -9.004 1.00 0.00 C ATOM 1905 C GLU B 120 -1.475 6.296 -8.482 1.00 0.00 C ATOM 1906 O GLU B 120 -0.255 6.425 -8.421 1.00 0.00 O ATOM 1907 CB GLU B 120 -2.642 5.232 -10.406 1.00 0.00 C ATOM 1908 CG GLU B 120 -2.685 3.968 -11.237 1.00 0.00 C ATOM 1909 CD GLU B 120 -2.823 4.261 -12.711 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -3.869 4.799 -13.126 1.00 0.00 O1- ATOM 1911 OE2 GLU B 120 -1.864 3.987 -13.460 1.00 0.00 O ATOM 0 H GLU B 120 -4.044 4.462 -8.477 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.312 4.246 -9.068 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -3.649 5.643 -10.330 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -2.032 5.975 -10.919 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -1.776 3.391 -11.066 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -3.521 3.349 -10.911 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.319 7.235 -8.082 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.837 8.472 -7.491 1.00 0.00 C ATOM 1920 C GLU B 121 -0.975 8.157 -6.278 1.00 0.00 C ATOM 1921 O GLU B 121 0.083 8.751 -6.085 1.00 0.00 O ATOM 1922 CB GLU B 121 -3.008 9.368 -7.090 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.809 9.886 -8.269 1.00 0.00 C ATOM 1924 CD GLU B 121 -2.997 10.785 -9.175 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -2.728 11.940 -8.784 1.00 0.00 O1- ATOM 1926 OE2 GLU B 121 -2.637 10.350 -10.289 1.00 0.00 O ATOM 0 H GLU B 121 -3.334 7.164 -8.155 1.00 0.00 H new ATOM 0 HA GLU B 121 -1.237 9.005 -8.229 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.671 8.811 -6.428 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.627 10.215 -6.520 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -4.187 9.042 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -4.676 10.435 -7.901 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.427 7.193 -5.483 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.702 6.758 -4.301 1.00 0.00 C ATOM 1935 C PHE B 122 0.713 6.343 -4.669 1.00 0.00 C ATOM 1936 O PHE B 122 1.676 6.955 -4.219 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.437 5.594 -3.625 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.758 5.072 -2.388 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -1.024 5.627 -1.148 1.00 0.00 C ATOM 1940 CD2 PHE B 122 0.146 4.022 -2.467 1.00 0.00 C ATOM 1941 CE1 PHE B 122 -0.402 5.149 -0.011 1.00 0.00 C ATOM 1942 CE2 PHE B 122 0.772 3.541 -1.333 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.498 4.105 -0.103 1.00 0.00 C ATOM 0 H PHE B 122 -2.303 6.695 -5.641 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.648 7.592 -3.601 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.445 5.918 -3.364 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.540 4.779 -4.341 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -1.726 6.444 -1.069 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.363 3.576 -3.426 1.00 0.00 H new ATOM 0 HE1 PHE B 122 -0.619 5.591 0.950 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.475 2.725 -1.409 1.00 0.00 H new ATOM 0 HZ PHE B 122 0.986 3.731 0.785 1.00 0.00 H new ATOM 1953 N CYS B 123 0.835 5.324 -5.510 1.00 0.00 N ATOM 1954 CA CYS B 123 2.141 4.796 -5.868 1.00 0.00 C ATOM 1955 C CYS B 123 3.010 5.867 -6.523 1.00 0.00 C ATOM 1956 O CYS B 123 4.189 5.990 -6.203 1.00 0.00 O ATOM 1957 CB CYS B 123 2.005 3.571 -6.784 1.00 0.00 C ATOM 1958 SG CYS B 123 1.114 3.860 -8.330 1.00 0.00 S ATOM 0 H CYS B 123 0.049 4.850 -5.954 1.00 0.00 H new ATOM 0 HA CYS B 123 2.634 4.481 -4.948 1.00 0.00 H new ATOM 0 HB2 CYS B 123 3.003 3.203 -7.022 1.00 0.00 H new ATOM 0 HB3 CYS B 123 1.497 2.780 -6.233 1.00 0.00 H new ATOM 0 HG CYS B 123 0.640 5.070 -8.338 1.00 0.00 H new ATOM 1964 N GLN B 124 2.408 6.672 -7.393 1.00 0.00 N ATOM 1965 CA GLN B 124 3.154 7.656 -8.170 1.00 0.00 C ATOM 1966 C GLN B 124 3.670 8.801 -7.303 1.00 0.00 C ATOM 1967 O GLN B 124 4.830 9.187 -7.420 1.00 0.00 O ATOM 1968 CB GLN B 124 2.295 8.198 -9.313 1.00 0.00 C ATOM 1969 CG GLN B 124 1.922 7.135 -10.338 1.00 0.00 C ATOM 1970 CD GLN B 124 3.135 6.450 -10.933 1.00 0.00 C ATOM 1971 OE1 GLN B 124 4.195 7.058 -11.089 1.00 0.00 O ATOM 1972 NE2 GLN B 124 2.995 5.177 -11.257 1.00 0.00 N ATOM 0 H GLN B 124 1.405 6.662 -7.578 1.00 0.00 H new ATOM 0 HA GLN B 124 4.023 7.147 -8.588 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.384 8.632 -8.900 1.00 0.00 H new ATOM 0 HB3 GLN B 124 2.833 9.003 -9.813 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.283 6.389 -9.866 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.340 7.594 -11.137 1.00 0.00 H new ATOM 0 HE21 GLN B 124 2.100 4.709 -11.112 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.782 4.662 -11.652 1.00 0.00 H new ATOM 1981 N ILE B 125 2.818 9.345 -6.439 1.00 0.00 N ATOM 1982 CA ILE B 125 3.221 10.441 -5.555 1.00 0.00 C ATOM 1983 C ILE B 125 4.179 9.937 -4.479 1.00 0.00 C ATOM 1984 O ILE B 125 5.120 10.627 -4.086 1.00 0.00 O ATOM 1985 CB ILE B 125 1.988 11.097 -4.887 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.032 11.631 -5.954 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.407 12.222 -3.946 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.329 11.998 -5.410 1.00 0.00 C ATOM 0 H ILE B 125 1.848 9.049 -6.330 1.00 0.00 H new ATOM 0 HA ILE B 125 3.728 11.189 -6.164 1.00 0.00 H new ATOM 0 HB ILE B 125 1.476 10.336 -4.299 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.476 12.509 -6.423 1.00 0.00 H new ATOM 0 HG13 ILE B 125 0.913 10.879 -6.734 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.521 12.665 -3.491 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.054 11.822 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE B 125 2.946 12.985 -4.508 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.957 12.369 -6.220 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.793 11.117 -4.966 1.00 0.00 H new ATOM 0 HD13 ILE B 125 -0.221 12.772 -4.651 1.00 0.00 H new ATOM 2000 N LEU B 126 3.941 8.715 -4.028 1.00 0.00 N ATOM 2001 CA LEU B 126 4.742 8.098 -2.980 1.00 0.00 C ATOM 2002 C LEU B 126 6.149 7.788 -3.477 1.00 0.00 C ATOM 2003 O LEU B 126 7.138 8.289 -2.931 1.00 0.00 O ATOM 2004 CB LEU B 126 4.039 6.823 -2.511 1.00 0.00 C ATOM 2005 CG LEU B 126 4.616 6.117 -1.289 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.543 4.993 -1.697 1.00 0.00 C ATOM 2007 CD2 LEU B 126 5.321 7.102 -0.365 1.00 0.00 C ATOM 0 H LEU B 126 3.188 8.123 -4.377 1.00 0.00 H new ATOM 0 HA LEU B 126 4.840 8.791 -2.144 1.00 0.00 H new ATOM 0 HB2 LEU B 126 2.999 7.070 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.036 6.115 -3.340 1.00 0.00 H new ATOM 0 HG LEU B 126 3.785 5.680 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.940 4.507 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU B 126 4.992 4.265 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU B 126 6.366 5.396 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU B 126 5.722 6.569 0.497 1.00 0.00 H new ATOM 0 HD22 LEU B 126 6.136 7.586 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU B 126 4.610 7.856 -0.027 1.00 0.00 H new ATOM 2019 N LEU B 127 6.233 6.963 -4.514 1.00 0.00 N ATOM 2020 CA LEU B 127 7.525 6.581 -5.082 1.00 0.00 C ATOM 2021 C LEU B 127 8.295 7.822 -5.516 1.00 0.00 C ATOM 2022 O LEU B 127 9.522 7.847 -5.480 1.00 0.00 O ATOM 2023 CB LEU B 127 7.354 5.605 -6.268 1.00 0.00 C ATOM 2024 CG LEU B 127 6.971 6.218 -7.629 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.207 6.671 -8.400 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.175 5.224 -8.459 1.00 0.00 C ATOM 0 H LEU B 127 5.427 6.546 -4.979 1.00 0.00 H new ATOM 0 HA LEU B 127 8.094 6.064 -4.309 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.288 5.058 -6.394 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.591 4.875 -5.999 1.00 0.00 H new ATOM 0 HG LEU B 127 6.351 7.093 -7.434 1.00 0.00 H new ATOM 0 HD11 LEU B 127 7.903 7.099 -9.355 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.743 7.422 -7.820 1.00 0.00 H new ATOM 0 HD13 LEU B 127 8.859 5.816 -8.576 1.00 0.00 H new ATOM 0 HD21 LEU B 127 5.914 5.676 -9.416 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.775 4.331 -8.631 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.264 4.952 -7.926 1.00 0.00 H new ATOM 2038 N ASP B 128 7.551 8.847 -5.912 1.00 0.00 N ATOM 2039 CA ASP B 128 8.122 10.099 -6.393 1.00 0.00 C ATOM 2040 C ASP B 128 9.096 10.680 -5.383 1.00 0.00 C ATOM 2041 O ASP B 128 10.237 10.992 -5.714 1.00 0.00 O ATOM 2042 CB ASP B 128 7.003 11.101 -6.649 1.00 0.00 C ATOM 2043 CG ASP B 128 7.459 12.317 -7.428 1.00 0.00 C ATOM 2044 OD1 ASP B 128 7.392 12.290 -8.677 1.00 0.00 O ATOM 2045 OD2 ASP B 128 7.868 13.314 -6.800 1.00 0.00 O1- ATOM 0 H ASP B 128 6.531 8.834 -5.909 1.00 0.00 H new ATOM 0 HA ASP B 128 8.664 9.896 -7.317 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.200 10.607 -7.196 1.00 0.00 H new ATOM 0 HB3 ASP B 128 6.587 11.424 -5.694 1.00 0.00 H new ATOM 2050 N LYS B 129 8.646 10.797 -4.142 1.00 0.00 N ATOM 2051 CA LYS B 129 9.441 11.440 -3.109 1.00 0.00 C ATOM 2052 C LYS B 129 10.473 10.473 -2.544 1.00 0.00 C ATOM 2053 O LYS B 129 11.561 10.880 -2.137 1.00 0.00 O ATOM 2054 CB LYS B 129 8.549 11.959 -1.981 1.00 0.00 C ATOM 2055 CG LYS B 129 7.243 12.586 -2.454 1.00 0.00 C ATOM 2056 CD LYS B 129 7.469 13.658 -3.508 1.00 0.00 C ATOM 2057 CE LYS B 129 6.154 14.112 -4.118 1.00 0.00 C ATOM 2058 NZ LYS B 129 6.366 14.969 -5.313 1.00 0.00 N1+ ATOM 0 H LYS B 129 7.737 10.456 -3.828 1.00 0.00 H new ATOM 0 HA LYS B 129 9.959 12.284 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.319 11.134 -1.306 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.105 12.698 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS B 129 6.596 11.809 -2.861 1.00 0.00 H new ATOM 0 HG3 LYS B 129 6.721 13.021 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS B 129 7.979 14.511 -3.060 1.00 0.00 H new ATOM 0 HD3 LYS B 129 8.122 13.271 -4.290 1.00 0.00 H new ATOM 0 HE2 LYS B 129 5.562 13.240 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS B 129 5.579 14.663 -3.373 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 5.501 14.981 -5.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 6.593 15.938 -5.010 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 7.153 14.589 -5.877 1.00 0.00 H new ATOM 2072 N LEU B 130 10.129 9.189 -2.528 1.00 0.00 N ATOM 2073 CA LEU B 130 11.042 8.161 -2.040 1.00 0.00 C ATOM 2074 C LEU B 130 12.232 8.000 -2.976 1.00 0.00 C ATOM 2075 O LEU B 130 13.343 7.721 -2.536 1.00 0.00 O ATOM 2076 CB LEU B 130 10.312 6.827 -1.870 1.00 0.00 C ATOM 2077 CG LEU B 130 9.624 6.637 -0.516 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.640 5.486 -0.575 1.00 0.00 C ATOM 2079 CD2 LEU B 130 10.657 6.388 0.571 1.00 0.00 C ATOM 0 H LEU B 130 9.227 8.836 -2.847 1.00 0.00 H new ATOM 0 HA LEU B 130 11.415 8.478 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.564 6.736 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.027 6.017 -2.015 1.00 0.00 H new ATOM 0 HG LEU B 130 9.077 7.549 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU B 130 8.161 5.367 0.397 1.00 0.00 H new ATOM 0 HD12 LEU B 130 7.882 5.694 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU B 130 9.168 4.569 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU B 130 10.153 6.255 1.528 1.00 0.00 H new ATOM 0 HD22 LEU B 130 11.227 5.490 0.333 1.00 0.00 H new ATOM 0 HD23 LEU B 130 11.333 7.241 0.633 1.00 0.00 H new ATOM 2091 N ASN B 131 11.999 8.192 -4.264 1.00 0.00 N ATOM 2092 CA ASN B 131 13.069 8.103 -5.248 1.00 0.00 C ATOM 2093 C ASN B 131 13.705 9.465 -5.481 1.00 0.00 C ATOM 2094 O ASN B 131 14.663 9.587 -6.241 1.00 0.00 O ATOM 2095 CB ASN B 131 12.554 7.534 -6.572 1.00 0.00 C ATOM 2096 CG ASN B 131 12.274 6.043 -6.500 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.155 5.223 -6.749 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.045 5.682 -6.171 1.00 0.00 N ATOM 0 H ASN B 131 11.082 8.410 -4.653 1.00 0.00 H new ATOM 0 HA ASN B 131 13.825 7.426 -4.851 1.00 0.00 H new ATOM 0 HB2 ASN B 131 11.641 8.057 -6.857 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.288 7.724 -7.355 1.00 0.00 H new ATOM 0 HD21 ASN B 131 10.801 4.693 -6.117 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.341 6.393 -5.971 1.00 0.00 H new ATOM 2105 N ALA B 132 13.184 10.487 -4.811 1.00 0.00 N ATOM 2106 CA ALA B 132 13.712 11.836 -4.962 1.00 0.00 C ATOM 2107 C ALA B 132 14.873 12.073 -4.009 1.00 0.00 C ATOM 2108 O ALA B 132 15.475 13.146 -3.990 1.00 0.00 O ATOM 2109 CB ALA B 132 12.617 12.864 -4.740 1.00 0.00 C ATOM 0 H ALA B 132 12.401 10.407 -4.162 1.00 0.00 H new ATOM 0 HA ALA B 132 14.084 11.944 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.030 13.866 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA B 132 11.822 12.712 -5.470 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.212 12.753 -3.734 1.00 0.00 H new ATOM 2115 N VAL B 133 15.180 11.065 -3.215 1.00 0.00 N ATOM 2116 CA VAL B 133 16.293 11.138 -2.287 1.00 0.00 C ATOM 2117 C VAL B 133 17.333 10.078 -2.644 1.00 0.00 C ATOM 2118 O VAL B 133 18.521 10.220 -2.354 1.00 0.00 O ATOM 2119 CB VAL B 133 15.811 10.954 -0.829 1.00 0.00 C ATOM 2120 CG1 VAL B 133 15.078 9.633 -0.667 1.00 0.00 C ATOM 2121 CG2 VAL B 133 16.974 11.049 0.146 1.00 0.00 C ATOM 0 H VAL B 133 14.671 10.181 -3.194 1.00 0.00 H new ATOM 0 HA VAL B 133 16.748 12.125 -2.366 1.00 0.00 H new ATOM 0 HB VAL B 133 15.114 11.761 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL B 133 14.748 9.524 0.366 1.00 0.00 H new ATOM 0 HG12 VAL B 133 14.212 9.614 -1.329 1.00 0.00 H new ATOM 0 HG13 VAL B 133 15.748 8.812 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL B 133 16.607 10.916 1.164 1.00 0.00 H new ATOM 0 HG22 VAL B 133 17.704 10.272 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL B 133 17.446 12.027 0.055 1.00 0.00 H new ATOM 2131 N LYS B 134 16.867 9.031 -3.307 1.00 0.00 N ATOM 2132 CA LYS B 134 17.722 7.935 -3.733 1.00 0.00 C ATOM 2133 C LYS B 134 18.584 8.353 -4.917 1.00 0.00 C ATOM 2134 O LYS B 134 18.101 8.450 -6.045 1.00 0.00 O ATOM 2135 CB LYS B 134 16.862 6.730 -4.114 1.00 0.00 C ATOM 2136 CG LYS B 134 16.037 6.180 -2.964 1.00 0.00 C ATOM 2137 CD LYS B 134 16.918 5.526 -1.909 1.00 0.00 C ATOM 2138 CE LYS B 134 16.092 4.876 -0.809 1.00 0.00 C ATOM 2139 NZ LYS B 134 16.948 4.158 0.174 1.00 0.00 N1+ ATOM 0 H LYS B 134 15.887 8.918 -3.564 1.00 0.00 H new ATOM 0 HA LYS B 134 18.380 7.665 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS B 134 16.193 7.015 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS B 134 17.508 5.940 -4.496 1.00 0.00 H new ATOM 0 HG2 LYS B 134 15.461 6.986 -2.510 1.00 0.00 H new ATOM 0 HG3 LYS B 134 15.321 5.452 -3.344 1.00 0.00 H new ATOM 0 HD2 LYS B 134 17.552 4.775 -2.380 1.00 0.00 H new ATOM 0 HD3 LYS B 134 17.580 6.274 -1.473 1.00 0.00 H new ATOM 0 HE2 LYS B 134 15.508 5.639 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS B 134 15.383 4.177 -1.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 134 16.349 3.729 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS B 134 17.486 3.413 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS B 134 17.608 4.830 0.615 1.00 0.00 H new ATOM 2153 N LYS B 135 19.849 8.620 -4.651 1.00 0.00 N ATOM 2154 CA LYS B 135 20.785 8.994 -5.698 1.00 0.00 C ATOM 2155 C LYS B 135 21.415 7.743 -6.299 1.00 0.00 C ATOM 2156 O LYS B 135 20.978 7.309 -7.386 1.00 0.00 O ATOM 2157 CB LYS B 135 21.871 9.920 -5.140 1.00 0.00 C ATOM 2158 CG LYS B 135 21.337 11.041 -4.263 1.00 0.00 C ATOM 2159 CD LYS B 135 20.261 11.840 -4.976 1.00 0.00 C ATOM 2160 CE LYS B 135 19.674 12.909 -4.072 1.00 0.00 C ATOM 2161 NZ LYS B 135 20.683 13.923 -3.664 1.00 0.00 N1+ ATOM 2162 OXT LYS B 135 22.325 7.176 -5.662 1.00 0.00 O ATOM 0 H LYS B 135 20.254 8.585 -3.716 1.00 0.00 H new ATOM 0 HA LYS B 135 20.245 9.530 -6.478 1.00 0.00 H new ATOM 0 HB2 LYS B 135 22.579 9.326 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS B 135 22.425 10.356 -5.971 1.00 0.00 H new ATOM 0 HG2 LYS B 135 20.931 10.622 -3.342 1.00 0.00 H new ATOM 0 HG3 LYS B 135 22.155 11.703 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS B 135 20.682 12.306 -5.867 1.00 0.00 H new ATOM 0 HD3 LYS B 135 19.469 11.170 -5.311 1.00 0.00 H new ATOM 0 HE2 LYS B 135 18.852 13.405 -4.587 1.00 0.00 H new ATOM 0 HE3 LYS B 135 19.255 12.439 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 135 20.208 14.710 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 135 21.374 13.486 -3.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 135 21.174 14.283 -4.507 1.00 0.00 H new TER 2176 LYS B 135