USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=32 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 93 ASN : amide:sc= -2.31! C(o=-9.7!,f=-12!) USER MOD Set 1.2: B 97 GLN : amide:sc= -7.36! C(o=-9.7!,f=-11!) USER MOD Set 2.1: B 88 SER OG : rot -92:sc= 2.28 USER MOD Set 2.2: B 91 LYS NZ :NH3+ -177:sc= 1.22 (180deg=-0.117) USER MOD Set 3.1: B 42 ASN : amide:sc= -0.558 K(o=0.14,f=1.7) USER MOD Set 3.2: B 54 TYR OH : rot -140:sc= 0.147 USER MOD Set 3.3: B 61 GLN : amide:sc= 0.552 K(o=0.14,f=1.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -159:sc= -0.191 (180deg=-0.86) USER MOD Single : A 7 ASN : amide:sc=-0.00562 X(o=-0.0056,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.683 X(o=-0.68,f=-0.42) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.622 X(o=-0.62,f=-0.81) 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= -1.18 K(o=-1.2,f=-0.22) USER MOD Single : A 32 GLN : amide:sc= -3.36! K(o=-3.4!,f=-0.25) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 44:sc= 0.0721 USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -121:sc= 1.04 (180deg=-0.0765) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ 160:sc= 1.21 (180deg=0.955) USER MOD Single : B 47 THR OG1 : rot 112:sc= 1.31 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 GLN : amide:sc= -1.87! X(o=-1.9!,f=-1.9) USER MOD Single : B 56 ASN : amide:sc= -1.53! K(o=-1.5!,f=-0.0036) USER MOD Single : B 57 SER OG : rot -150:sc= 0 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= -0.82 X(o=-0.82,f=-0.71) USER MOD Single : B 68 THR OG1 : rot -120:sc= -0.397 USER MOD Single : B 70 LYS NZ :NH3+ -166:sc= 0.798 (180deg=0.649) USER MOD Single : B 72 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.6!) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 79:sc= 1.23 USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 85 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.26) USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 92 MET CE :methyl -167:sc= -0.0888 (180deg=-0.414) USER MOD Single : B 94 SER OG : rot 180:sc= 0 USER MOD Single : B 98 LYS NZ :NH3+ -179:sc= 0.176 (180deg=0.175) USER MOD Single : B 103 ASN : amide:sc= 0.603 K(o=0.6,f=-0.023) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -0.921 K(o=-0.92,f=0) USER MOD Single : B 107 THR OG1 : rot -10:sc= 1.17 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=-0.0051) USER MOD Single : B 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 116 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : B 123 CYS SG : rot 120:sc= -1.81 USER MOD Single : B 124 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.67) USER MOD Single : B 129 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.2) USER MOD Single : B 131 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : B 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 135 LYS NZ :NH3+ 170:sc= -0.013 (180deg=-0.133) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.612 -0.132 -24.484 1.00 0.00 N ATOM 2 CA GLY A 1 11.494 -1.264 -24.842 1.00 0.00 C ATOM 3 C GLY A 1 11.604 -2.260 -23.711 1.00 0.00 C ATOM 4 O GLY A 1 10.588 -2.657 -23.138 1.00 0.00 O ATOM 0 H1 GLY A 1 10.559 0.533 -25.282 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.660 -0.489 -24.267 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.997 0.358 -23.651 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.106 -1.762 -25.730 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.485 -0.888 -25.095 1.00 0.00 H new ATOM 10 N PRO A 2 12.827 -2.684 -23.362 1.00 0.00 N ATOM 11 CA PRO A 2 13.049 -3.595 -22.241 1.00 0.00 C ATOM 12 C PRO A 2 12.746 -2.928 -20.906 1.00 0.00 C ATOM 13 O PRO A 2 13.556 -2.159 -20.389 1.00 0.00 O ATOM 14 CB PRO A 2 14.537 -3.941 -22.341 1.00 0.00 C ATOM 15 CG PRO A 2 15.148 -2.817 -23.104 1.00 0.00 C ATOM 16 CD PRO A 2 14.084 -2.310 -24.036 1.00 0.00 C ATOM 0 HA PRO A 2 12.399 -4.469 -22.287 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.987 -4.036 -21.353 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.687 -4.892 -22.853 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.483 -2.028 -22.431 1.00 0.00 H new ATOM 0 HG3 PRO A 2 16.023 -3.155 -23.660 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.157 -1.232 -24.179 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.162 -2.769 -25.022 1.00 0.00 H new ATOM 24 N HIS A 3 11.570 -3.209 -20.365 1.00 0.00 N ATOM 25 CA HIS A 3 11.162 -2.638 -19.091 1.00 0.00 C ATOM 26 C HIS A 3 12.091 -3.085 -17.980 1.00 0.00 C ATOM 27 O HIS A 3 12.143 -4.266 -17.630 1.00 0.00 O ATOM 28 CB HIS A 3 9.718 -3.017 -18.760 1.00 0.00 C ATOM 29 CG HIS A 3 8.729 -2.457 -19.730 1.00 0.00 C ATOM 30 ND1 HIS A 3 8.163 -1.211 -19.592 1.00 0.00 N ATOM 31 CD2 HIS A 3 8.227 -2.971 -20.874 1.00 0.00 C ATOM 32 CE1 HIS A 3 7.361 -0.981 -20.612 1.00 0.00 C ATOM 33 NE2 HIS A 3 7.379 -2.034 -21.407 1.00 0.00 N ATOM 0 H HIS A 3 10.881 -3.830 -20.789 1.00 0.00 H new ATOM 0 HA HIS A 3 11.221 -1.553 -19.176 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.628 -4.103 -18.745 1.00 0.00 H new ATOM 0 HB3 HIS A 3 9.476 -2.663 -17.758 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.452 -3.941 -21.292 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.785 -0.081 -20.771 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.850 -2.134 -22.274 1.00 0.00 H new ATOM 42 N MET A 4 12.843 -2.136 -17.454 1.00 0.00 N ATOM 43 CA MET A 4 13.753 -2.404 -16.360 1.00 0.00 C ATOM 44 C MET A 4 12.976 -2.508 -15.057 1.00 0.00 C ATOM 45 O MET A 4 12.089 -1.695 -14.785 1.00 0.00 O ATOM 46 CB MET A 4 14.812 -1.303 -16.260 1.00 0.00 C ATOM 47 CG MET A 4 14.246 0.079 -15.971 1.00 0.00 C ATOM 48 SD MET A 4 15.524 1.313 -15.658 1.00 0.00 S ATOM 49 CE MET A 4 16.271 0.648 -14.173 1.00 0.00 C ATOM 0 H MET A 4 12.840 -1.166 -17.771 1.00 0.00 H new ATOM 0 HA MET A 4 14.260 -3.350 -16.549 1.00 0.00 H new ATOM 0 HB2 MET A 4 15.520 -1.565 -15.474 1.00 0.00 H new ATOM 0 HB3 MET A 4 15.372 -1.266 -17.194 1.00 0.00 H new ATOM 0 HG2 MET A 4 13.638 0.400 -16.816 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.585 0.021 -15.106 1.00 0.00 H new ATOM 0 HE1 MET A 4 16.802 1.441 -13.646 1.00 0.00 H new ATOM 0 HE2 MET A 4 15.494 0.240 -13.526 1.00 0.00 H new ATOM 0 HE3 MET A 4 16.972 -0.142 -14.441 1.00 0.00 H new ATOM 59 N PHE A 5 13.290 -3.519 -14.266 1.00 0.00 N ATOM 60 CA PHE A 5 12.636 -3.699 -12.986 1.00 0.00 C ATOM 61 C PHE A 5 13.181 -2.692 -11.991 1.00 0.00 C ATOM 62 O PHE A 5 14.394 -2.463 -11.921 1.00 0.00 O ATOM 63 CB PHE A 5 12.827 -5.122 -12.459 1.00 0.00 C ATOM 64 CG PHE A 5 12.298 -6.182 -13.383 1.00 0.00 C ATOM 65 CD1 PHE A 5 10.945 -6.479 -13.414 1.00 0.00 C ATOM 66 CD2 PHE A 5 13.153 -6.879 -14.221 1.00 0.00 C ATOM 67 CE1 PHE A 5 10.456 -7.453 -14.264 1.00 0.00 C ATOM 68 CE2 PHE A 5 12.669 -7.852 -15.072 1.00 0.00 C ATOM 69 CZ PHE A 5 11.319 -8.139 -15.094 1.00 0.00 C ATOM 0 H PHE A 5 13.992 -4.225 -14.488 1.00 0.00 H new ATOM 0 HA PHE A 5 11.567 -3.536 -13.120 1.00 0.00 H new ATOM 0 HB2 PHE A 5 13.889 -5.298 -12.288 1.00 0.00 H new ATOM 0 HB3 PHE A 5 12.330 -5.213 -11.493 1.00 0.00 H new ATOM 0 HD1 PHE A 5 10.265 -5.944 -12.767 1.00 0.00 H new ATOM 0 HD2 PHE A 5 14.210 -6.659 -14.208 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.400 -7.677 -14.279 1.00 0.00 H new ATOM 0 HE2 PHE A 5 13.346 -8.388 -15.720 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.939 -8.899 -15.760 1.00 0.00 H new ATOM 79 N ALA A 6 12.285 -2.093 -11.240 1.00 0.00 N ATOM 80 CA ALA A 6 12.639 -1.065 -10.289 1.00 0.00 C ATOM 81 C ALA A 6 12.325 -1.539 -8.882 1.00 0.00 C ATOM 82 O ALA A 6 11.914 -2.680 -8.678 1.00 0.00 O ATOM 83 CB ALA A 6 11.886 0.216 -10.609 1.00 0.00 C ATOM 0 H ALA A 6 11.288 -2.306 -11.272 1.00 0.00 H new ATOM 0 HA ALA A 6 13.708 -0.861 -10.355 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.157 0.987 -9.888 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.147 0.550 -11.613 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.813 0.031 -10.555 1.00 0.00 H new ATOM 89 N ASN A 7 12.524 -0.666 -7.917 1.00 0.00 N ATOM 90 CA ASN A 7 12.305 -1.015 -6.525 1.00 0.00 C ATOM 91 C ASN A 7 11.233 -0.134 -5.917 1.00 0.00 C ATOM 92 O ASN A 7 11.029 -0.136 -4.705 1.00 0.00 O ATOM 93 CB ASN A 7 13.611 -0.896 -5.742 1.00 0.00 C ATOM 94 CG ASN A 7 14.618 -1.950 -6.155 1.00 0.00 C ATOM 95 OD1 ASN A 7 14.711 -3.012 -5.538 1.00 0.00 O ATOM 96 ND2 ASN A 7 15.350 -1.683 -7.227 1.00 0.00 N ATOM 0 H ASN A 7 12.838 0.293 -8.069 1.00 0.00 H new ATOM 0 HA ASN A 7 11.962 -2.048 -6.473 1.00 0.00 H new ATOM 0 HB2 ASN A 7 14.038 0.095 -5.898 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.404 -0.990 -4.676 1.00 0.00 H new ATOM 0 HD21 ASN A 7 16.022 -2.370 -7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 7 15.242 -0.791 -7.709 1.00 0.00 H new ATOM 103 N GLU A 8 10.544 0.610 -6.778 1.00 0.00 N ATOM 104 CA GLU A 8 9.452 1.469 -6.349 1.00 0.00 C ATOM 105 C GLU A 8 8.401 0.669 -5.603 1.00 0.00 C ATOM 106 O GLU A 8 8.064 0.990 -4.469 1.00 0.00 O ATOM 107 CB GLU A 8 8.821 2.192 -7.544 1.00 0.00 C ATOM 108 CG GLU A 8 8.592 1.295 -8.753 1.00 0.00 C ATOM 109 CD GLU A 8 8.115 2.055 -9.973 1.00 0.00 C ATOM 110 OE1 GLU A 8 8.958 2.639 -10.681 1.00 0.00 O1- ATOM 111 OE2 GLU A 8 6.895 2.064 -10.236 1.00 0.00 O ATOM 0 H GLU A 8 10.726 0.633 -7.781 1.00 0.00 H new ATOM 0 HA GLU A 8 9.862 2.219 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.868 2.621 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.464 3.022 -7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.520 0.777 -8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.858 0.531 -8.498 1.00 0.00 H new ATOM 118 N ASN A 9 7.916 -0.396 -6.227 1.00 0.00 N ATOM 119 CA ASN A 9 6.880 -1.219 -5.626 1.00 0.00 C ATOM 120 C ASN A 9 7.384 -1.814 -4.319 1.00 0.00 C ATOM 121 O ASN A 9 6.637 -1.930 -3.360 1.00 0.00 O ATOM 122 CB ASN A 9 6.440 -2.339 -6.574 1.00 0.00 C ATOM 123 CG ASN A 9 6.049 -1.833 -7.951 1.00 0.00 C ATOM 124 OD1 ASN A 9 4.893 -1.482 -8.196 1.00 0.00 O ATOM 125 ND2 ASN A 9 7.010 -1.802 -8.861 1.00 0.00 N ATOM 0 H ASN A 9 8.224 -0.708 -7.148 1.00 0.00 H new ATOM 0 HA ASN A 9 6.016 -0.585 -5.428 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.250 -3.061 -6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.595 -2.868 -6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.807 -1.479 -9.807 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.954 -2.101 -8.616 1.00 0.00 H new ATOM 132 N SER A 10 8.670 -2.157 -4.287 1.00 0.00 N ATOM 133 CA SER A 10 9.295 -2.699 -3.085 1.00 0.00 C ATOM 134 C SER A 10 9.200 -1.700 -1.928 1.00 0.00 C ATOM 135 O SER A 10 8.753 -2.048 -0.833 1.00 0.00 O ATOM 136 CB SER A 10 10.757 -3.040 -3.369 1.00 0.00 C ATOM 137 OG SER A 10 10.875 -3.846 -4.531 1.00 0.00 O ATOM 0 H SER A 10 9.301 -2.068 -5.084 1.00 0.00 H new ATOM 0 HA SER A 10 8.766 -3.607 -2.797 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.330 -2.122 -3.499 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.185 -3.564 -2.514 1.00 0.00 H new ATOM 0 HG SER A 10 11.820 -4.050 -4.693 1.00 0.00 H new ATOM 143 N GLN A 11 9.619 -0.462 -2.185 1.00 0.00 N ATOM 144 CA GLN A 11 9.513 0.611 -1.204 1.00 0.00 C ATOM 145 C GLN A 11 8.060 0.824 -0.791 1.00 0.00 C ATOM 146 O GLN A 11 7.752 0.980 0.391 1.00 0.00 O ATOM 147 CB GLN A 11 10.072 1.898 -1.789 1.00 0.00 C ATOM 148 CG GLN A 11 11.469 1.745 -2.350 1.00 0.00 C ATOM 149 CD GLN A 11 12.114 3.076 -2.613 1.00 0.00 C ATOM 150 OE1 GLN A 11 12.024 3.634 -3.706 1.00 0.00 O ATOM 151 NE2 GLN A 11 12.754 3.600 -1.590 1.00 0.00 N ATOM 0 H GLN A 11 10.037 -0.178 -3.071 1.00 0.00 H new ATOM 0 HA GLN A 11 10.087 0.330 -0.321 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.407 2.248 -2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.081 2.666 -1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.081 1.176 -1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.428 1.172 -3.276 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.799 3.096 -0.704 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.205 4.510 -1.682 1.00 0.00 H new ATOM 160 N LEU A 12 7.177 0.823 -1.788 1.00 0.00 N ATOM 161 CA LEU A 12 5.740 0.972 -1.571 1.00 0.00 C ATOM 162 C LEU A 12 5.217 -0.075 -0.591 1.00 0.00 C ATOM 163 O LEU A 12 4.447 0.241 0.313 1.00 0.00 O ATOM 164 CB LEU A 12 4.993 0.843 -2.901 1.00 0.00 C ATOM 165 CG LEU A 12 4.741 2.148 -3.671 1.00 0.00 C ATOM 166 CD1 LEU A 12 6.007 2.969 -3.830 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.149 1.828 -5.028 1.00 0.00 C ATOM 0 H LEU A 12 7.438 0.719 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 12 5.567 1.960 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.557 0.169 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.031 0.369 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 12 4.038 2.749 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.782 3.883 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.400 3.226 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.750 2.390 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.970 2.754 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.844 1.203 -5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.207 1.296 -4.898 1.00 0.00 H new ATOM 179 N LEU A 13 5.655 -1.315 -0.775 1.00 0.00 N ATOM 180 CA LEU A 13 5.196 -2.431 0.045 1.00 0.00 C ATOM 181 C LEU A 13 5.506 -2.208 1.517 1.00 0.00 C ATOM 182 O LEU A 13 4.617 -2.286 2.361 1.00 0.00 O ATOM 183 CB LEU A 13 5.847 -3.733 -0.415 1.00 0.00 C ATOM 184 CG LEU A 13 5.603 -4.097 -1.875 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.274 -5.413 -2.210 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.114 -4.152 -2.173 1.00 0.00 C ATOM 0 H LEU A 13 6.333 -1.575 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 13 4.115 -2.498 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.922 -3.662 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.481 -4.546 0.212 1.00 0.00 H new ATOM 0 HG LEU A 13 6.041 -3.322 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.091 -5.659 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.347 -5.328 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.868 -6.201 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.962 -4.413 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.644 -4.904 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.667 -3.178 -1.973 1.00 0.00 H new ATOM 198 N ASP A 14 6.769 -1.934 1.821 1.00 0.00 N ATOM 199 CA ASP A 14 7.185 -1.727 3.205 1.00 0.00 C ATOM 200 C ASP A 14 6.551 -0.467 3.781 1.00 0.00 C ATOM 201 O ASP A 14 6.300 -0.381 4.981 1.00 0.00 O ATOM 202 CB ASP A 14 8.711 -1.658 3.320 1.00 0.00 C ATOM 203 CG ASP A 14 9.371 -3.016 3.159 1.00 0.00 C ATOM 204 OD1 ASP A 14 9.186 -3.882 4.044 1.00 0.00 O1- ATOM 205 OD2 ASP A 14 10.086 -3.226 2.154 1.00 0.00 O ATOM 0 H ASP A 14 7.519 -1.850 1.134 1.00 0.00 H new ATOM 0 HA ASP A 14 6.839 -2.583 3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.098 -0.978 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.980 -1.240 4.290 1.00 0.00 H new ATOM 210 N PHE A 15 6.275 0.495 2.911 1.00 0.00 N ATOM 211 CA PHE A 15 5.588 1.721 3.300 1.00 0.00 C ATOM 212 C PHE A 15 4.167 1.397 3.757 1.00 0.00 C ATOM 213 O PHE A 15 3.765 1.744 4.868 1.00 0.00 O ATOM 214 CB PHE A 15 5.565 2.681 2.109 1.00 0.00 C ATOM 215 CG PHE A 15 5.054 4.062 2.410 1.00 0.00 C ATOM 216 CD1 PHE A 15 3.702 4.351 2.330 1.00 0.00 C ATOM 217 CD2 PHE A 15 5.936 5.079 2.737 1.00 0.00 C ATOM 218 CE1 PHE A 15 3.237 5.627 2.572 1.00 0.00 C ATOM 219 CE2 PHE A 15 5.478 6.360 2.972 1.00 0.00 C ATOM 220 CZ PHE A 15 4.127 6.634 2.890 1.00 0.00 C ATOM 0 H PHE A 15 6.519 0.449 1.922 1.00 0.00 H new ATOM 0 HA PHE A 15 6.115 2.194 4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.576 2.764 1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.947 2.246 1.324 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.003 3.568 2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.993 4.868 2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.179 5.838 2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.175 7.147 3.220 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.767 7.635 3.074 1.00 0.00 H new ATOM 230 N ILE A 16 3.422 0.711 2.892 1.00 0.00 N ATOM 231 CA ILE A 16 2.066 0.267 3.205 1.00 0.00 C ATOM 232 C ILE A 16 2.078 -0.644 4.429 1.00 0.00 C ATOM 233 O ILE A 16 1.172 -0.613 5.267 1.00 0.00 O ATOM 234 CB ILE A 16 1.451 -0.490 2.005 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.394 0.423 0.778 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.060 -1.011 2.343 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.053 -0.306 -0.503 1.00 0.00 C ATOM 0 H ILE A 16 3.740 0.449 1.959 1.00 0.00 H new ATOM 0 HA ILE A 16 1.460 1.148 3.417 1.00 0.00 H new ATOM 0 HB ILE A 16 2.087 -1.346 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.653 1.204 0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.358 0.919 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.350 -1.539 1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.123 -1.693 3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.590 -0.174 2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.030 0.403 -1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.807 -1.068 -0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.076 -0.779 -0.404 1.00 0.00 H new ATOM 249 N ARG A 17 3.128 -1.442 4.521 1.00 0.00 N ATOM 250 CA ARG A 17 3.313 -2.372 5.622 1.00 0.00 C ATOM 251 C ARG A 17 3.444 -1.621 6.946 1.00 0.00 C ATOM 252 O ARG A 17 2.806 -1.974 7.938 1.00 0.00 O ATOM 253 CB ARG A 17 4.556 -3.217 5.349 1.00 0.00 C ATOM 254 CG ARG A 17 4.708 -4.442 6.230 1.00 0.00 C ATOM 255 CD ARG A 17 5.870 -5.288 5.745 1.00 0.00 C ATOM 256 NE ARG A 17 6.092 -6.473 6.571 1.00 0.00 N ATOM 257 CZ ARG A 17 7.271 -7.088 6.684 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.339 -6.609 6.054 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 7.383 -8.185 7.425 1.00 0.00 N ATOM 0 H ARG A 17 3.879 -1.463 3.831 1.00 0.00 H new ATOM 0 HA ARG A 17 2.443 -3.024 5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.536 -3.538 4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.438 -2.588 5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.875 -4.139 7.264 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.789 -5.028 6.214 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.684 -5.597 4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.776 -4.682 5.736 1.00 0.00 H new ATOM 0 HE ARG A 17 5.300 -6.852 7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.259 -5.768 5.482 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.238 -7.082 6.143 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.567 -8.559 7.909 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.285 -8.653 7.510 1.00 0.00 H new ATOM 273 N GLU A 18 4.263 -0.573 6.953 1.00 0.00 N ATOM 274 CA GLU A 18 4.425 0.263 8.138 1.00 0.00 C ATOM 275 C GLU A 18 3.129 0.987 8.486 1.00 0.00 C ATOM 276 O GLU A 18 2.822 1.175 9.663 1.00 0.00 O ATOM 277 CB GLU A 18 5.557 1.274 7.952 1.00 0.00 C ATOM 278 CG GLU A 18 6.938 0.647 8.022 1.00 0.00 C ATOM 279 CD GLU A 18 8.053 1.674 8.059 1.00 0.00 C ATOM 280 OE1 GLU A 18 7.847 2.769 8.619 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 9.149 1.378 7.541 1.00 0.00 O ATOM 0 H GLU A 18 4.824 -0.283 6.152 1.00 0.00 H new ATOM 0 HA GLU A 18 4.684 -0.398 8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.438 1.769 6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.476 2.045 8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.001 0.018 8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.080 -0.004 7.159 1.00 0.00 H new ATOM 288 N LEU A 19 2.368 1.380 7.465 1.00 0.00 N ATOM 289 CA LEU A 19 1.091 2.058 7.679 1.00 0.00 C ATOM 290 C LEU A 19 0.201 1.244 8.612 1.00 0.00 C ATOM 291 O LEU A 19 -0.320 1.760 9.601 1.00 0.00 O ATOM 292 CB LEU A 19 0.347 2.281 6.355 1.00 0.00 C ATOM 293 CG LEU A 19 1.064 3.142 5.317 1.00 0.00 C ATOM 294 CD1 LEU A 19 0.208 3.285 4.067 1.00 0.00 C ATOM 295 CD2 LEU A 19 1.396 4.508 5.884 1.00 0.00 C ATOM 0 H LEU A 19 2.613 1.241 6.485 1.00 0.00 H new ATOM 0 HA LEU A 19 1.312 3.026 8.130 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.140 1.308 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.616 2.741 6.576 1.00 0.00 H new ATOM 0 HG LEU A 19 1.998 2.647 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.732 3.901 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.018 2.300 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.740 3.757 4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.906 5.102 5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.476 5.012 6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.045 4.394 6.752 1.00 0.00 H new ATOM 307 N GLY A 20 0.034 -0.031 8.299 1.00 0.00 N ATOM 308 CA GLY A 20 -0.820 -0.885 9.101 1.00 0.00 C ATOM 309 C GLY A 20 -0.259 -1.163 10.482 1.00 0.00 C ATOM 310 O GLY A 20 -1.012 -1.428 11.417 1.00 0.00 O ATOM 0 H GLY A 20 0.475 -0.492 7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.799 -0.417 9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.970 -1.830 8.580 1.00 0.00 H new ATOM 314 N ASP A 21 1.060 -1.088 10.621 1.00 0.00 N ATOM 315 CA ASP A 21 1.706 -1.418 11.887 1.00 0.00 C ATOM 316 C ASP A 21 1.496 -0.322 12.931 1.00 0.00 C ATOM 317 O ASP A 21 1.439 -0.605 14.127 1.00 0.00 O ATOM 318 CB ASP A 21 3.202 -1.670 11.679 1.00 0.00 C ATOM 319 CG ASP A 21 3.899 -2.099 12.956 1.00 0.00 C ATOM 320 OD1 ASP A 21 3.636 -3.221 13.436 1.00 0.00 O1- ATOM 321 OD2 ASP A 21 4.716 -1.318 13.483 1.00 0.00 O ATOM 0 H ASP A 21 1.699 -0.804 9.879 1.00 0.00 H new ATOM 0 HA ASP A 21 1.241 -2.330 12.262 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.336 -2.440 10.919 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.671 -0.762 11.299 1.00 0.00 H new ATOM 326 N VAL A 22 1.368 0.924 12.487 1.00 0.00 N ATOM 327 CA VAL A 22 1.171 2.031 13.419 1.00 0.00 C ATOM 328 C VAL A 22 -0.287 2.479 13.467 1.00 0.00 C ATOM 329 O VAL A 22 -0.727 3.080 14.448 1.00 0.00 O ATOM 330 CB VAL A 22 2.064 3.246 13.085 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.488 3.007 13.555 1.00 0.00 C ATOM 332 CG2 VAL A 22 2.047 3.542 11.593 1.00 0.00 C ATOM 0 H VAL A 22 1.396 1.192 11.503 1.00 0.00 H new ATOM 0 HA VAL A 22 1.459 1.648 14.398 1.00 0.00 H new ATOM 0 HB VAL A 22 1.662 4.112 13.611 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.102 3.874 13.311 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.494 2.850 14.634 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.892 2.125 13.058 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.684 4.402 11.385 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.418 2.675 11.046 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.027 3.761 11.277 1.00 0.00 H new ATOM 342 N GLY A 23 -1.039 2.185 12.415 1.00 0.00 N ATOM 343 CA GLY A 23 -2.457 2.475 12.432 1.00 0.00 C ATOM 344 C GLY A 23 -2.819 3.557 11.448 1.00 0.00 C ATOM 345 O GLY A 23 -3.640 4.429 11.727 1.00 0.00 O ATOM 0 H GLY A 23 -0.695 1.754 11.557 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.016 1.569 12.198 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.753 2.782 13.435 1.00 0.00 H new ATOM 349 N LEU A 24 -2.165 3.514 10.307 1.00 0.00 N ATOM 350 CA LEU A 24 -2.374 4.486 9.248 1.00 0.00 C ATOM 351 C LEU A 24 -3.163 3.856 8.114 1.00 0.00 C ATOM 352 O LEU A 24 -3.934 4.523 7.425 1.00 0.00 O ATOM 353 CB LEU A 24 -1.020 4.983 8.737 1.00 0.00 C ATOM 354 CG LEU A 24 -0.365 6.111 9.545 1.00 0.00 C ATOM 355 CD1 LEU A 24 -0.469 5.881 11.036 1.00 0.00 C ATOM 356 CD2 LEU A 24 1.092 6.268 9.148 1.00 0.00 C ATOM 0 H LEU A 24 -1.470 2.802 10.084 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.941 5.331 9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.333 4.137 8.709 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.146 5.325 7.710 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.908 7.028 9.314 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.009 6.705 11.566 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.519 5.825 11.323 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.028 4.946 11.296 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.543 7.072 9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.624 5.337 9.342 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.156 6.508 8.087 1.00 0.00 H new ATOM 368 N LEU A 25 -2.970 2.558 7.939 1.00 0.00 N ATOM 369 CA LEU A 25 -3.654 1.815 6.894 1.00 0.00 C ATOM 370 C LEU A 25 -4.919 1.177 7.444 1.00 0.00 C ATOM 371 O LEU A 25 -5.661 0.508 6.730 1.00 0.00 O ATOM 372 CB LEU A 25 -2.738 0.734 6.343 1.00 0.00 C ATOM 373 CG LEU A 25 -3.243 0.047 5.085 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.140 0.981 3.892 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.477 -1.236 4.850 1.00 0.00 C ATOM 0 H LEU A 25 -2.341 1.995 8.512 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.922 2.505 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.764 1.176 6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.585 -0.020 7.115 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.295 -0.207 5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.506 0.473 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.741 1.872 4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.099 1.269 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.847 -1.720 3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.417 -1.011 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.614 -1.903 5.701 1.00 0.00 H new ATOM 387 N GLU A 26 -5.142 1.381 8.728 1.00 0.00 N ATOM 388 CA GLU A 26 -6.311 0.839 9.393 1.00 0.00 C ATOM 389 C GLU A 26 -7.583 1.409 8.769 1.00 0.00 C ATOM 390 O GLU A 26 -7.668 2.604 8.470 1.00 0.00 O ATOM 391 CB GLU A 26 -6.261 1.148 10.889 1.00 0.00 C ATOM 392 CG GLU A 26 -6.321 2.630 11.205 1.00 0.00 C ATOM 393 CD GLU A 26 -6.460 2.915 12.687 1.00 0.00 C ATOM 394 OE1 GLU A 26 -5.554 2.546 13.458 1.00 0.00 O ATOM 395 OE2 GLU A 26 -7.471 3.536 13.081 1.00 0.00 O1- ATOM 0 H GLU A 26 -4.525 1.921 9.334 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.318 -0.244 9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.093 0.646 11.383 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.344 0.733 11.307 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.418 3.112 10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.163 3.075 10.675 1.00 0.00 H new ATOM 402 N TYR A 27 -8.553 0.544 8.547 1.00 0.00 N ATOM 403 CA TYR A 27 -9.811 0.953 7.949 1.00 0.00 C ATOM 404 C TYR A 27 -10.968 0.191 8.575 1.00 0.00 C ATOM 405 O TYR A 27 -10.762 -0.690 9.412 1.00 0.00 O ATOM 406 CB TYR A 27 -9.791 0.726 6.431 1.00 0.00 C ATOM 407 CG TYR A 27 -9.709 -0.727 6.017 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.489 -1.384 5.970 1.00 0.00 C ATOM 409 CD2 TYR A 27 -10.851 -1.440 5.670 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.407 -2.707 5.590 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.776 -2.765 5.288 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.551 -3.394 5.249 1.00 0.00 C ATOM 413 OH TYR A 27 -9.470 -4.714 4.869 1.00 0.00 O ATOM 0 H TYR A 27 -8.495 -0.449 8.772 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.947 2.018 8.138 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.691 1.164 5.999 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.941 1.260 6.007 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.588 -0.851 6.235 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.813 -0.950 5.700 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.448 -3.203 5.560 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.673 -3.305 5.021 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.367 -5.051 4.663 1.00 0.00 H new ATOM 423 N GLU A 28 -12.175 0.531 8.159 1.00 0.00 N ATOM 424 CA GLU A 28 -13.370 -0.134 8.640 1.00 0.00 C ATOM 425 C GLU A 28 -14.508 0.142 7.672 1.00 0.00 C ATOM 426 O GLU A 28 -15.005 1.265 7.580 1.00 0.00 O ATOM 427 CB GLU A 28 -13.717 0.341 10.050 1.00 0.00 C ATOM 428 CG GLU A 28 -14.818 -0.466 10.712 1.00 0.00 C ATOM 429 CD GLU A 28 -14.894 -0.209 12.199 1.00 0.00 C ATOM 430 OE1 GLU A 28 -15.594 0.739 12.607 1.00 0.00 O1- ATOM 431 OE2 GLU A 28 -14.240 -0.944 12.966 1.00 0.00 O ATOM 0 H GLU A 28 -12.353 1.272 7.481 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.198 -1.209 8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.822 0.295 10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.021 1.387 10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.775 -0.219 10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.645 -1.528 10.536 1.00 0.00 H new ATOM 438 N LEU A 29 -14.895 -0.880 6.936 1.00 0.00 N ATOM 439 CA LEU A 29 -15.845 -0.721 5.851 1.00 0.00 C ATOM 440 C LEU A 29 -17.280 -0.727 6.352 1.00 0.00 C ATOM 441 O LEU A 29 -17.664 -1.556 7.178 1.00 0.00 O ATOM 442 CB LEU A 29 -15.652 -1.836 4.827 1.00 0.00 C ATOM 443 CG LEU A 29 -14.238 -1.952 4.264 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.131 -3.159 3.357 1.00 0.00 C ATOM 445 CD2 LEU A 29 -13.852 -0.686 3.515 1.00 0.00 C ATOM 0 H LEU A 29 -14.564 -1.836 7.070 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.658 0.247 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.923 -2.785 5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.345 -1.675 4.001 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.545 -2.080 5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.117 -3.229 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.363 -4.061 3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.835 -3.057 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.841 -0.790 3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.547 -0.525 2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -13.891 0.165 4.195 1.00 0.00 H new ATOM 457 N SER A 30 -18.060 0.209 5.849 1.00 0.00 N ATOM 458 CA SER A 30 -19.478 0.264 6.143 1.00 0.00 C ATOM 459 C SER A 30 -20.249 -0.516 5.086 1.00 0.00 C ATOM 460 O SER A 30 -19.655 -0.956 4.102 1.00 0.00 O ATOM 461 CB SER A 30 -19.945 1.718 6.184 1.00 0.00 C ATOM 462 OG SER A 30 -19.116 2.494 7.041 1.00 0.00 O ATOM 0 H SER A 30 -17.731 0.949 5.229 1.00 0.00 H new ATOM 0 HA SER A 30 -19.665 -0.186 7.118 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.929 2.138 5.178 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.977 1.763 6.532 1.00 0.00 H new ATOM 0 HG SER A 30 -19.433 3.421 7.050 1.00 0.00 H new ATOM 468 N GLN A 31 -21.548 -0.689 5.276 1.00 0.00 N ATOM 469 CA GLN A 31 -22.364 -1.448 4.332 1.00 0.00 C ATOM 470 C GLN A 31 -22.227 -0.905 2.913 1.00 0.00 C ATOM 471 O GLN A 31 -22.118 -1.672 1.954 1.00 0.00 O ATOM 472 CB GLN A 31 -23.831 -1.451 4.770 1.00 0.00 C ATOM 473 CG GLN A 31 -24.212 -2.654 5.618 1.00 0.00 C ATOM 474 CD GLN A 31 -23.253 -2.884 6.762 1.00 0.00 C ATOM 475 OE1 GLN A 31 -23.464 -2.413 7.878 1.00 0.00 O ATOM 476 NE2 GLN A 31 -22.174 -3.584 6.475 1.00 0.00 N ATOM 0 H GLN A 31 -22.062 -0.316 6.074 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.000 -2.475 4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.035 -0.541 5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.466 -1.426 3.884 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -25.217 -2.511 6.014 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -24.241 -3.543 4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.042 -3.955 5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -21.471 -3.755 7.194 1.00 0.00 H new ATOM 485 N GLN A 32 -22.190 0.413 2.783 1.00 0.00 N ATOM 486 CA GLN A 32 -22.052 1.039 1.475 1.00 0.00 C ATOM 487 C GLN A 32 -20.661 0.785 0.911 1.00 0.00 C ATOM 488 O GLN A 32 -20.501 0.476 -0.270 1.00 0.00 O ATOM 489 CB GLN A 32 -22.310 2.544 1.566 1.00 0.00 C ATOM 490 CG GLN A 32 -22.307 3.242 0.213 1.00 0.00 C ATOM 491 CD GLN A 32 -23.616 3.100 -0.551 1.00 0.00 C ATOM 492 OE1 GLN A 32 -23.956 3.949 -1.373 1.00 0.00 O ATOM 493 NE2 GLN A 32 -24.380 2.057 -0.263 1.00 0.00 N ATOM 0 H GLN A 32 -22.253 1.068 3.563 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.792 0.598 0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.272 2.711 2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -21.550 2.997 2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -22.096 4.301 0.361 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.497 2.837 -0.393 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -24.068 1.371 0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -25.280 1.940 -0.728 1.00 0.00 H new ATOM 502 N GLU A 33 -19.662 0.892 1.774 1.00 0.00 N ATOM 503 CA GLU A 33 -18.277 0.687 1.374 1.00 0.00 C ATOM 504 C GLU A 33 -18.048 -0.766 0.970 1.00 0.00 C ATOM 505 O GLU A 33 -17.206 -1.064 0.133 1.00 0.00 O ATOM 506 CB GLU A 33 -17.335 1.062 2.517 1.00 0.00 C ATOM 507 CG GLU A 33 -17.533 2.476 3.035 1.00 0.00 C ATOM 508 CD GLU A 33 -17.265 3.532 1.982 1.00 0.00 C ATOM 509 OE1 GLU A 33 -16.081 3.817 1.712 1.00 0.00 O1- ATOM 510 OE2 GLU A 33 -18.234 4.096 1.434 1.00 0.00 O ATOM 0 H GLU A 33 -19.785 1.121 2.760 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.068 1.327 0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.479 0.360 3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.305 0.950 2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.555 2.584 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.872 2.642 3.886 1.00 0.00 H new ATOM 517 N LYS A 34 -18.822 -1.666 1.556 1.00 0.00 N ATOM 518 CA LYS A 34 -18.681 -3.083 1.269 1.00 0.00 C ATOM 519 C LYS A 34 -19.381 -3.437 -0.036 1.00 0.00 C ATOM 520 O LYS A 34 -18.971 -4.356 -0.746 1.00 0.00 O ATOM 521 CB LYS A 34 -19.231 -3.928 2.425 1.00 0.00 C ATOM 522 CG LYS A 34 -18.339 -3.925 3.654 1.00 0.00 C ATOM 523 CD LYS A 34 -18.746 -5.010 4.637 1.00 0.00 C ATOM 524 CE LYS A 34 -17.838 -5.034 5.856 1.00 0.00 C ATOM 525 NZ LYS A 34 -18.069 -6.241 6.692 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.552 -1.440 2.231 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.620 -3.306 1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.217 -3.555 2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -19.363 -4.955 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.302 -4.075 3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.392 -2.952 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.776 -4.846 4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.715 -5.980 4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.797 -5.008 5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.009 -4.139 6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.432 -6.222 7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.056 -6.253 7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.881 -7.095 6.128 1.00 0.00 H new ATOM 539 N ASP A 35 -20.411 -2.671 -0.368 1.00 0.00 N ATOM 540 CA ASP A 35 -21.212 -2.926 -1.560 1.00 0.00 C ATOM 541 C ASP A 35 -20.432 -2.594 -2.827 1.00 0.00 C ATOM 542 O ASP A 35 -20.611 -3.230 -3.863 1.00 0.00 O ATOM 543 CB ASP A 35 -22.499 -2.102 -1.511 1.00 0.00 C ATOM 544 CG ASP A 35 -23.453 -2.434 -2.645 1.00 0.00 C ATOM 545 OD1 ASP A 35 -24.298 -3.341 -2.477 1.00 0.00 O ATOM 546 OD2 ASP A 35 -23.372 -1.783 -3.710 1.00 0.00 O1- ATOM 0 H ASP A 35 -20.714 -1.862 0.175 1.00 0.00 H new ATOM 0 HA ASP A 35 -21.461 -3.987 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -23.000 -2.275 -0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -22.248 -1.042 -1.552 1.00 0.00 H new ATOM 551 N VAL A 36 -19.557 -1.605 -2.744 1.00 0.00 N ATOM 552 CA VAL A 36 -18.783 -1.185 -3.903 1.00 0.00 C ATOM 553 C VAL A 36 -17.534 -2.050 -4.085 1.00 0.00 C ATOM 554 O VAL A 36 -17.010 -2.175 -5.190 1.00 0.00 O ATOM 555 CB VAL A 36 -18.378 0.302 -3.807 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.613 1.183 -3.706 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.451 0.543 -2.625 1.00 0.00 C ATOM 0 H VAL A 36 -19.365 -1.080 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.427 -1.313 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.837 0.564 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.310 2.228 -3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.234 1.041 -4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.181 0.912 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.182 1.599 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.957 0.260 -1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.548 -0.057 -2.742 1.00 0.00 H new ATOM 567 N LEU A 37 -17.070 -2.654 -2.999 1.00 0.00 N ATOM 568 CA LEU A 37 -15.844 -3.442 -3.030 1.00 0.00 C ATOM 569 C LEU A 37 -16.136 -4.911 -3.270 1.00 0.00 C ATOM 570 O LEU A 37 -15.582 -5.522 -4.177 1.00 0.00 O ATOM 571 CB LEU A 37 -15.074 -3.270 -1.723 1.00 0.00 C ATOM 572 CG LEU A 37 -14.758 -1.823 -1.369 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.963 -1.743 -0.078 1.00 0.00 C ATOM 574 CD2 LEU A 37 -14.007 -1.155 -2.506 1.00 0.00 C ATOM 0 H LEU A 37 -17.523 -2.614 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.235 -3.079 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.653 -3.712 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.140 -3.828 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.698 -1.293 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.749 -0.700 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.542 -2.184 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.026 -2.288 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.788 -0.121 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.074 -1.688 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.619 -1.175 -3.408 1.00 0.00 H new ATOM 586 N PHE A 38 -17.002 -5.475 -2.449 1.00 0.00 N ATOM 587 CA PHE A 38 -17.343 -6.884 -2.563 1.00 0.00 C ATOM 588 C PHE A 38 -18.484 -7.077 -3.546 1.00 0.00 C ATOM 589 O PHE A 38 -18.643 -8.143 -4.137 1.00 0.00 O ATOM 590 CB PHE A 38 -17.728 -7.445 -1.197 1.00 0.00 C ATOM 591 CG PHE A 38 -16.644 -7.303 -0.169 1.00 0.00 C ATOM 592 CD1 PHE A 38 -15.549 -8.151 -0.172 1.00 0.00 C ATOM 593 CD2 PHE A 38 -16.716 -6.310 0.793 1.00 0.00 C ATOM 594 CE1 PHE A 38 -14.548 -8.012 0.770 1.00 0.00 C ATOM 595 CE2 PHE A 38 -15.719 -6.167 1.735 1.00 0.00 C ATOM 596 CZ PHE A 38 -14.633 -7.018 1.725 1.00 0.00 C ATOM 0 H PHE A 38 -17.482 -4.982 -1.697 1.00 0.00 H new ATOM 0 HA PHE A 38 -16.470 -7.422 -2.933 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -18.624 -6.936 -0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -17.982 -8.500 -1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -15.477 -8.929 -0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -17.563 -5.640 0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -13.700 -8.680 0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.788 -5.389 2.481 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.851 -6.907 2.462 1.00 0.00 H new ATOM 606 N GLY A 39 -19.273 -6.034 -3.718 1.00 0.00 N ATOM 607 CA GLY A 39 -20.413 -6.105 -4.606 1.00 0.00 C ATOM 608 C GLY A 39 -21.624 -6.676 -3.910 1.00 0.00 C ATOM 609 O GLY A 39 -22.593 -5.958 -3.658 1.00 0.00 O ATOM 0 H GLY A 39 -19.145 -5.133 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -20.645 -5.108 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -20.164 -6.722 -5.470 1.00 0.00 H new ATOM 613 N SER A 40 -21.545 -7.966 -3.580 1.00 0.00 N ATOM 614 CA SER A 40 -22.602 -8.686 -2.868 1.00 0.00 C ATOM 615 C SER A 40 -23.988 -8.393 -3.451 1.00 0.00 C ATOM 616 O SER A 40 -24.741 -7.582 -2.863 1.00 0.00 O ATOM 617 CB SER A 40 -22.542 -8.375 -1.365 1.00 0.00 C ATOM 618 OG SER A 40 -22.452 -6.980 -1.116 1.00 0.00 O ATOM 619 OXT SER A 40 -24.313 -8.971 -4.509 1.00 0.00 O ATOM 0 H SER A 40 -20.736 -8.547 -3.802 1.00 0.00 H new ATOM 0 HA SER A 40 -22.429 -9.754 -3.002 1.00 0.00 H new ATOM 0 HB2 SER A 40 -23.430 -8.774 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 40 -21.682 -8.879 -0.924 1.00 0.00 H new ATOM 0 HG SER A 40 -23.083 -6.503 -1.695 1.00 0.00 H new TER 625 SER A 40 ATOM 626 N MET B 41 -4.328 14.293 11.067 1.00 0.00 N ATOM 627 CA MET B 41 -2.997 13.932 11.611 1.00 0.00 C ATOM 628 C MET B 41 -3.034 12.544 12.237 1.00 0.00 C ATOM 629 O MET B 41 -3.649 12.341 13.285 1.00 0.00 O ATOM 630 CB MET B 41 -2.557 14.958 12.659 1.00 0.00 C ATOM 631 CG MET B 41 -1.231 14.624 13.325 1.00 0.00 C ATOM 632 SD MET B 41 -0.779 15.817 14.598 1.00 0.00 S ATOM 633 CE MET B 41 0.743 15.099 15.210 1.00 0.00 C ATOM 0 HA MET B 41 -2.281 13.929 10.789 1.00 0.00 H new ATOM 0 HB2 MET B 41 -2.479 15.937 12.186 1.00 0.00 H new ATOM 0 HB3 MET B 41 -3.329 15.035 13.425 1.00 0.00 H new ATOM 0 HG2 MET B 41 -1.291 13.630 13.768 1.00 0.00 H new ATOM 0 HG3 MET B 41 -0.447 14.590 12.569 1.00 0.00 H new ATOM 0 HE1 MET B 41 1.146 15.725 16.006 1.00 0.00 H new ATOM 0 HE2 MET B 41 0.544 14.101 15.600 1.00 0.00 H new ATOM 0 HE3 MET B 41 1.467 15.034 14.398 1.00 0.00 H new ATOM 645 N ASN B 42 -2.375 11.593 11.598 1.00 0.00 N ATOM 646 CA ASN B 42 -2.329 10.229 12.107 1.00 0.00 C ATOM 647 C ASN B 42 -1.015 9.987 12.829 1.00 0.00 C ATOM 648 O ASN B 42 -0.347 10.931 13.253 1.00 0.00 O ATOM 649 CB ASN B 42 -2.492 9.210 10.972 1.00 0.00 C ATOM 650 CG ASN B 42 -3.760 9.410 10.159 1.00 0.00 C ATOM 651 OD1 ASN B 42 -3.779 9.160 8.955 1.00 0.00 O ATOM 652 ND2 ASN B 42 -4.832 9.838 10.809 1.00 0.00 N ATOM 0 H ASN B 42 -1.864 11.738 10.727 1.00 0.00 H new ATOM 0 HA ASN B 42 -3.156 10.101 12.805 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -1.630 9.275 10.308 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -2.494 8.205 11.394 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -5.712 9.970 10.310 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -4.778 10.035 11.808 1.00 0.00 H new ATOM 659 N LYS B 43 -0.657 8.725 12.975 1.00 0.00 N ATOM 660 CA LYS B 43 0.598 8.353 13.610 1.00 0.00 C ATOM 661 C LYS B 43 1.738 8.495 12.605 1.00 0.00 C ATOM 662 O LYS B 43 1.512 8.833 11.441 1.00 0.00 O ATOM 663 CB LYS B 43 0.539 6.914 14.151 1.00 0.00 C ATOM 664 CG LYS B 43 -0.683 6.635 15.018 1.00 0.00 C ATOM 665 CD LYS B 43 -1.862 6.134 14.192 1.00 0.00 C ATOM 666 CE LYS B 43 -3.176 6.325 14.923 1.00 0.00 C ATOM 667 NZ LYS B 43 -4.319 5.695 14.207 1.00 0.00 N1+ ATOM 0 H LYS B 43 -1.220 7.934 12.661 1.00 0.00 H new ATOM 0 HA LYS B 43 0.773 9.020 14.454 1.00 0.00 H new ATOM 0 HB2 LYS B 43 0.544 6.219 13.311 1.00 0.00 H new ATOM 0 HB3 LYS B 43 1.439 6.717 14.733 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.429 5.894 15.776 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -0.970 7.545 15.546 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -1.893 6.666 13.241 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -1.723 5.078 13.962 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -3.098 5.899 15.923 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -3.370 7.391 15.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -5.030 6.420 13.982 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -3.979 5.258 13.327 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -4.748 4.966 14.812 1.00 0.00 H new ATOM 681 N THR B 44 2.954 8.239 13.048 1.00 0.00 N ATOM 682 CA THR B 44 4.112 8.364 12.188 1.00 0.00 C ATOM 683 C THR B 44 4.678 7.005 11.819 1.00 0.00 C ATOM 684 O THR B 44 4.390 6.001 12.475 1.00 0.00 O ATOM 685 CB THR B 44 5.205 9.210 12.853 1.00 0.00 C ATOM 686 OG1 THR B 44 5.278 8.914 14.254 1.00 0.00 O ATOM 687 CG2 THR B 44 4.933 10.686 12.644 1.00 0.00 C ATOM 0 H THR B 44 3.164 7.943 14.001 1.00 0.00 H new ATOM 0 HA THR B 44 3.780 8.863 11.278 1.00 0.00 H new ATOM 0 HB THR B 44 6.162 8.964 12.392 1.00 0.00 H new ATOM 0 HG1 THR B 44 5.980 9.459 14.667 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.718 11.272 13.122 1.00 0.00 H new ATOM 0 HG22 THR B 44 4.916 10.905 11.576 1.00 0.00 H new ATOM 0 HG23 THR B 44 3.969 10.944 13.083 1.00 0.00 H new ATOM 695 N LEU B 45 5.484 6.982 10.772 1.00 0.00 N ATOM 696 CA LEU B 45 6.081 5.747 10.299 1.00 0.00 C ATOM 697 C LEU B 45 7.275 5.366 11.153 1.00 0.00 C ATOM 698 O LEU B 45 7.715 6.128 12.018 1.00 0.00 O ATOM 699 CB LEU B 45 6.497 5.867 8.833 1.00 0.00 C ATOM 700 CG LEU B 45 5.353 6.164 7.868 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.822 6.073 6.430 1.00 0.00 C ATOM 702 CD2 LEU B 45 4.206 5.211 8.110 1.00 0.00 C ATOM 0 H LEU B 45 5.740 7.808 10.232 1.00 0.00 H new ATOM 0 HA LEU B 45 5.330 4.961 10.380 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.243 6.657 8.745 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.979 4.938 8.529 1.00 0.00 H new ATOM 0 HG LEU B 45 5.008 7.182 8.048 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.989 6.289 5.761 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.620 6.796 6.261 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.195 5.068 6.232 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.396 5.433 7.415 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.545 4.187 7.956 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.848 5.325 9.133 1.00 0.00 H new ATOM 714 N LYS B 46 7.802 4.190 10.888 1.00 0.00 N ATOM 715 CA LYS B 46 8.856 3.613 11.701 1.00 0.00 C ATOM 716 C LYS B 46 10.209 3.901 11.082 1.00 0.00 C ATOM 717 O LYS B 46 11.208 4.063 11.783 1.00 0.00 O ATOM 718 CB LYS B 46 8.629 2.111 11.834 1.00 0.00 C ATOM 719 CG LYS B 46 7.310 1.774 12.509 1.00 0.00 C ATOM 720 CD LYS B 46 6.482 0.816 11.671 1.00 0.00 C ATOM 721 CE LYS B 46 7.153 -0.539 11.544 1.00 0.00 C ATOM 722 NZ LYS B 46 7.295 -1.206 12.863 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.513 3.605 10.104 1.00 0.00 H new ATOM 0 HA LYS B 46 8.836 4.061 12.695 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.653 1.655 10.844 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.447 1.673 12.406 1.00 0.00 H new ATOM 0 HG2 LYS B 46 7.503 1.330 13.486 1.00 0.00 H new ATOM 0 HG3 LYS B 46 6.744 2.690 12.681 1.00 0.00 H new ATOM 0 HD2 LYS B 46 5.498 0.694 12.123 1.00 0.00 H new ATOM 0 HD3 LYS B 46 6.327 1.240 10.679 1.00 0.00 H new ATOM 0 HE2 LYS B 46 6.570 -1.173 10.876 1.00 0.00 H new ATOM 0 HE3 LYS B 46 8.136 -0.417 11.090 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.432 -2.227 12.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 8.117 -0.812 13.364 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 6.436 -1.046 13.427 1.00 0.00 H new ATOM 736 N THR B 47 10.236 3.959 9.763 1.00 0.00 N ATOM 737 CA THR B 47 11.424 4.372 9.048 1.00 0.00 C ATOM 738 C THR B 47 11.383 5.875 8.809 1.00 0.00 C ATOM 739 O THR B 47 10.422 6.402 8.250 1.00 0.00 O ATOM 740 CB THR B 47 11.547 3.640 7.701 1.00 0.00 C ATOM 741 OG1 THR B 47 11.569 2.226 7.920 1.00 0.00 O ATOM 742 CG2 THR B 47 12.810 4.068 6.973 1.00 0.00 C ATOM 0 H THR B 47 9.444 3.724 9.165 1.00 0.00 H new ATOM 0 HA THR B 47 12.292 4.117 9.656 1.00 0.00 H new ATOM 0 HB THR B 47 10.686 3.899 7.084 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.748 1.827 7.563 1.00 0.00 H new ATOM 0 HG21 THR B 47 12.879 3.539 6.022 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.778 5.142 6.789 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.681 3.830 7.584 1.00 0.00 H new ATOM 750 N LYS B 48 12.439 6.553 9.241 1.00 0.00 N ATOM 751 CA LYS B 48 12.519 8.005 9.169 1.00 0.00 C ATOM 752 C LYS B 48 12.443 8.496 7.728 1.00 0.00 C ATOM 753 O LYS B 48 11.786 9.497 7.442 1.00 0.00 O ATOM 754 CB LYS B 48 13.816 8.482 9.823 1.00 0.00 C ATOM 755 CG LYS B 48 13.962 9.997 9.892 1.00 0.00 C ATOM 756 CD LYS B 48 12.802 10.656 10.630 1.00 0.00 C ATOM 757 CE LYS B 48 12.719 10.211 12.082 1.00 0.00 C ATOM 758 NZ LYS B 48 11.649 10.933 12.819 1.00 0.00 N1+ ATOM 0 H LYS B 48 13.263 6.112 9.650 1.00 0.00 H new ATOM 0 HA LYS B 48 11.667 8.421 9.706 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.870 8.077 10.833 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.661 8.072 9.269 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.897 10.247 10.392 1.00 0.00 H new ATOM 0 HG3 LYS B 48 14.023 10.401 8.881 1.00 0.00 H new ATOM 0 HD2 LYS B 48 12.916 11.739 10.590 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.867 10.415 10.124 1.00 0.00 H new ATOM 0 HE2 LYS B 48 12.529 9.138 12.123 1.00 0.00 H new ATOM 0 HE3 LYS B 48 13.678 10.384 12.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 11.623 10.603 13.805 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 11.844 11.954 12.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 10.731 10.748 12.368 1.00 0.00 H new ATOM 772 N ALA B 49 13.108 7.785 6.826 1.00 0.00 N ATOM 773 CA ALA B 49 13.092 8.139 5.413 1.00 0.00 C ATOM 774 C ALA B 49 11.687 8.019 4.843 1.00 0.00 C ATOM 775 O ALA B 49 11.295 8.778 3.960 1.00 0.00 O ATOM 776 CB ALA B 49 14.056 7.262 4.633 1.00 0.00 C ATOM 0 H ALA B 49 13.665 6.960 7.048 1.00 0.00 H new ATOM 0 HA ALA B 49 13.413 9.176 5.319 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.031 7.541 3.580 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.066 7.398 5.020 1.00 0.00 H new ATOM 0 HB3 ALA B 49 13.764 6.217 4.739 1.00 0.00 H new ATOM 782 N PHE B 50 10.928 7.070 5.371 1.00 0.00 N ATOM 783 CA PHE B 50 9.565 6.836 4.919 1.00 0.00 C ATOM 784 C PHE B 50 8.610 7.839 5.551 1.00 0.00 C ATOM 785 O PHE B 50 7.751 8.404 4.870 1.00 0.00 O ATOM 786 CB PHE B 50 9.122 5.412 5.261 1.00 0.00 C ATOM 787 CG PHE B 50 9.642 4.358 4.323 1.00 0.00 C ATOM 788 CD1 PHE B 50 10.944 4.398 3.849 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.816 3.327 3.911 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.411 3.427 2.982 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.275 2.354 3.045 1.00 0.00 C ATOM 792 CZ PHE B 50 10.574 2.404 2.579 1.00 0.00 C ATOM 0 H PHE B 50 11.236 6.446 6.117 1.00 0.00 H new ATOM 0 HA PHE B 50 9.542 6.963 3.837 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.451 5.175 6.273 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.033 5.374 5.263 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.601 5.197 4.160 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.799 3.283 4.271 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.428 3.468 2.621 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.619 1.555 2.733 1.00 0.00 H new ATOM 0 HZ PHE B 50 10.935 1.645 1.901 1.00 0.00 H new ATOM 802 N ASP B 51 8.769 8.058 6.857 1.00 0.00 N ATOM 803 CA ASP B 51 7.897 8.970 7.595 1.00 0.00 C ATOM 804 C ASP B 51 7.960 10.363 6.996 1.00 0.00 C ATOM 805 O ASP B 51 6.947 11.053 6.896 1.00 0.00 O ATOM 806 CB ASP B 51 8.283 9.041 9.074 1.00 0.00 C ATOM 807 CG ASP B 51 7.322 9.907 9.863 1.00 0.00 C ATOM 808 OD1 ASP B 51 6.115 9.591 9.881 1.00 0.00 O ATOM 809 OD2 ASP B 51 7.773 10.896 10.481 1.00 0.00 O1- ATOM 0 H ASP B 51 9.493 7.616 7.424 1.00 0.00 H new ATOM 0 HA ASP B 51 6.881 8.582 7.519 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.297 8.036 9.495 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.293 9.440 9.168 1.00 0.00 H new ATOM 814 N ASP B 52 9.162 10.753 6.588 1.00 0.00 N ATOM 815 CA ASP B 52 9.396 12.058 5.983 1.00 0.00 C ATOM 816 C ASP B 52 8.398 12.323 4.866 1.00 0.00 C ATOM 817 O ASP B 52 7.696 13.328 4.875 1.00 0.00 O ATOM 818 CB ASP B 52 10.820 12.131 5.434 1.00 0.00 C ATOM 819 CG ASP B 52 11.174 13.503 4.900 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.558 14.374 5.709 1.00 0.00 O1- ATOM 821 OD2 ASP B 52 11.094 13.711 3.669 1.00 0.00 O ATOM 0 H ASP B 52 9.999 10.175 6.667 1.00 0.00 H new ATOM 0 HA ASP B 52 9.265 12.820 6.751 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.523 11.861 6.222 1.00 0.00 H new ATOM 0 HB3 ASP B 52 10.936 11.395 4.638 1.00 0.00 H new ATOM 826 N ILE B 53 8.310 11.393 3.931 1.00 0.00 N ATOM 827 CA ILE B 53 7.419 11.530 2.788 1.00 0.00 C ATOM 828 C ILE B 53 5.961 11.521 3.221 1.00 0.00 C ATOM 829 O ILE B 53 5.158 12.313 2.735 1.00 0.00 O ATOM 830 CB ILE B 53 7.658 10.400 1.777 1.00 0.00 C ATOM 831 CG1 ILE B 53 9.097 10.465 1.282 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.679 10.490 0.614 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.800 9.138 1.335 1.00 0.00 C ATOM 0 H ILE B 53 8.849 10.527 3.940 1.00 0.00 H new ATOM 0 HA ILE B 53 7.638 12.488 2.317 1.00 0.00 H new ATOM 0 HB ILE B 53 7.491 9.442 2.269 1.00 0.00 H new ATOM 0 HG12 ILE B 53 9.106 10.833 0.256 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.650 11.186 1.884 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.871 9.678 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.659 10.411 0.990 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.805 11.446 0.105 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.820 9.252 0.969 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.821 8.778 2.364 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.269 8.420 0.710 1.00 0.00 H new ATOM 845 N TYR B 54 5.628 10.635 4.150 1.00 0.00 N ATOM 846 CA TYR B 54 4.260 10.526 4.641 1.00 0.00 C ATOM 847 C TYR B 54 3.785 11.853 5.236 1.00 0.00 C ATOM 848 O TYR B 54 2.608 12.205 5.140 1.00 0.00 O ATOM 849 CB TYR B 54 4.155 9.412 5.686 1.00 0.00 C ATOM 850 CG TYR B 54 2.738 9.148 6.142 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.859 8.426 5.346 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.276 9.627 7.361 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.561 8.190 5.750 1.00 0.00 C ATOM 854 CE2 TYR B 54 0.979 9.394 7.773 1.00 0.00 C ATOM 855 CZ TYR B 54 0.125 8.675 6.963 1.00 0.00 C ATOM 856 OH TYR B 54 -1.170 8.442 7.368 1.00 0.00 O ATOM 0 H TYR B 54 6.285 9.982 4.578 1.00 0.00 H new ATOM 0 HA TYR B 54 3.617 10.279 3.796 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.572 8.494 5.271 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.764 9.677 6.551 1.00 0.00 H new ATOM 0 HD1 TYR B 54 2.197 8.043 4.395 1.00 0.00 H new ATOM 0 HD2 TYR B 54 2.942 10.191 7.997 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.110 7.627 5.118 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.635 9.773 8.724 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.528 9.246 7.799 1.00 0.00 H new ATOM 866 N GLN B 55 4.706 12.588 5.844 1.00 0.00 N ATOM 867 CA GLN B 55 4.369 13.870 6.446 1.00 0.00 C ATOM 868 C GLN B 55 4.509 15.003 5.428 1.00 0.00 C ATOM 869 O GLN B 55 3.763 15.980 5.469 1.00 0.00 O ATOM 870 CB GLN B 55 5.264 14.151 7.657 1.00 0.00 C ATOM 871 CG GLN B 55 5.338 13.007 8.662 1.00 0.00 C ATOM 872 CD GLN B 55 3.982 12.555 9.171 1.00 0.00 C ATOM 873 OE1 GLN B 55 3.031 13.335 9.241 1.00 0.00 O ATOM 874 NE2 GLN B 55 3.890 11.291 9.556 1.00 0.00 N ATOM 0 H GLN B 55 5.686 12.321 5.933 1.00 0.00 H new ATOM 0 HA GLN B 55 3.331 13.820 6.776 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.271 14.376 7.305 1.00 0.00 H new ATOM 0 HB3 GLN B 55 4.898 15.043 8.166 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.843 12.160 8.198 1.00 0.00 H new ATOM 0 HG3 GLN B 55 5.949 13.318 9.509 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.700 10.675 9.483 1.00 0.00 H new ATOM 0 HE22 GLN B 55 3.009 10.933 9.926 1.00 0.00 H new ATOM 883 N ASN B 56 5.459 14.861 4.508 1.00 0.00 N ATOM 884 CA ASN B 56 5.770 15.921 3.546 1.00 0.00 C ATOM 885 C ASN B 56 4.829 15.900 2.343 1.00 0.00 C ATOM 886 O ASN B 56 4.719 16.887 1.616 1.00 0.00 O ATOM 887 CB ASN B 56 7.220 15.816 3.055 1.00 0.00 C ATOM 888 CG ASN B 56 8.238 16.331 4.063 1.00 0.00 C ATOM 889 OD1 ASN B 56 9.262 16.903 3.687 1.00 0.00 O ATOM 890 ND2 ASN B 56 7.985 16.107 5.345 1.00 0.00 N ATOM 0 H ASN B 56 6.029 14.022 4.406 1.00 0.00 H new ATOM 0 HA ASN B 56 5.633 16.865 4.074 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.443 14.774 2.824 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.323 16.377 2.126 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.649 16.412 6.057 1.00 0.00 H new ATOM 0 HD22 ASN B 56 7.126 15.630 5.620 1.00 0.00 H new ATOM 897 N SER B 57 4.155 14.783 2.135 1.00 0.00 N ATOM 898 CA SER B 57 3.268 14.631 0.998 1.00 0.00 C ATOM 899 C SER B 57 1.828 14.497 1.463 1.00 0.00 C ATOM 900 O SER B 57 1.350 13.404 1.773 1.00 0.00 O ATOM 901 CB SER B 57 3.677 13.424 0.155 1.00 0.00 C ATOM 902 OG SER B 57 4.958 13.623 -0.420 1.00 0.00 O ATOM 0 H SER B 57 4.206 13.965 2.742 1.00 0.00 H new ATOM 0 HA SER B 57 3.347 15.523 0.377 1.00 0.00 H new ATOM 0 HB2 SER B 57 3.687 12.528 0.775 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.942 13.258 -0.632 1.00 0.00 H new ATOM 0 HG SER B 57 5.013 13.142 -1.272 1.00 0.00 H new ATOM 908 N ALA B 58 1.142 15.622 1.502 1.00 0.00 N ATOM 909 CA ALA B 58 -0.229 15.664 1.963 1.00 0.00 C ATOM 910 C ALA B 58 -1.177 15.093 0.914 1.00 0.00 C ATOM 911 O ALA B 58 -2.276 14.641 1.237 1.00 0.00 O ATOM 912 CB ALA B 58 -0.602 17.087 2.323 1.00 0.00 C ATOM 0 H ALA B 58 1.517 16.527 1.217 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.321 15.043 2.854 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -1.635 17.116 2.670 1.00 0.00 H new ATOM 0 HB2 ALA B 58 0.056 17.447 3.114 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.496 17.724 1.445 1.00 0.00 H new ATOM 918 N GLU B 59 -0.735 15.082 -0.341 1.00 0.00 N ATOM 919 CA GLU B 59 -1.539 14.519 -1.417 1.00 0.00 C ATOM 920 C GLU B 59 -1.465 12.999 -1.373 1.00 0.00 C ATOM 921 O GLU B 59 -2.321 12.303 -1.912 1.00 0.00 O ATOM 922 CB GLU B 59 -1.097 15.044 -2.789 1.00 0.00 C ATOM 923 CG GLU B 59 0.388 14.894 -3.078 1.00 0.00 C ATOM 924 CD GLU B 59 1.217 16.022 -2.505 1.00 0.00 C ATOM 925 OE1 GLU B 59 1.392 17.044 -3.194 1.00 0.00 O1- ATOM 926 OE2 GLU B 59 1.703 15.891 -1.364 1.00 0.00 O ATOM 0 H GLU B 59 0.168 15.454 -0.634 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.572 14.833 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -1.659 14.519 -3.562 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -1.363 16.099 -2.862 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.739 13.947 -2.667 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.540 14.850 -4.156 1.00 0.00 H new ATOM 933 N LEU B 60 -0.434 12.495 -0.713 1.00 0.00 N ATOM 934 CA LEU B 60 -0.292 11.067 -0.477 1.00 0.00 C ATOM 935 C LEU B 60 -1.193 10.675 0.693 1.00 0.00 C ATOM 936 O LEU B 60 -1.802 9.604 0.706 1.00 0.00 O ATOM 937 CB LEU B 60 1.188 10.746 -0.191 1.00 0.00 C ATOM 938 CG LEU B 60 1.591 9.262 -0.144 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.200 8.618 1.176 1.00 0.00 C ATOM 940 CD2 LEU B 60 0.982 8.501 -1.311 1.00 0.00 C ATOM 0 H LEU B 60 0.323 13.060 -0.328 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.595 10.493 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.793 11.236 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.453 11.198 0.765 1.00 0.00 H new ATOM 0 HG LEU B 60 2.677 9.214 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.500 7.570 1.173 1.00 0.00 H new ATOM 0 HD12 LEU B 60 1.699 9.136 1.995 1.00 0.00 H new ATOM 0 HD13 LEU B 60 0.120 8.685 1.308 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.280 7.454 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -0.105 8.572 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.333 8.931 -2.249 1.00 0.00 H new ATOM 952 N GLN B 61 -1.293 11.583 1.656 1.00 0.00 N ATOM 953 CA GLN B 61 -2.093 11.380 2.847 1.00 0.00 C ATOM 954 C GLN B 61 -3.584 11.312 2.515 1.00 0.00 C ATOM 955 O GLN B 61 -4.311 10.479 3.060 1.00 0.00 O ATOM 956 CB GLN B 61 -1.830 12.516 3.840 1.00 0.00 C ATOM 957 CG GLN B 61 -2.658 12.417 5.106 1.00 0.00 C ATOM 958 CD GLN B 61 -2.304 11.203 5.935 1.00 0.00 C ATOM 959 OE1 GLN B 61 -1.494 11.280 6.858 1.00 0.00 O ATOM 960 NE2 GLN B 61 -2.868 10.065 5.572 1.00 0.00 N ATOM 0 H GLN B 61 -0.817 12.485 1.628 1.00 0.00 H new ATOM 0 HA GLN B 61 -1.807 10.427 3.292 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -0.773 12.518 4.106 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -2.038 13.469 3.353 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.511 13.317 5.704 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.715 12.378 4.843 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -3.535 10.050 4.800 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.637 9.202 6.064 1.00 0.00 H new ATOM 969 N GLU B 62 -4.029 12.177 1.608 1.00 0.00 N ATOM 970 CA GLU B 62 -5.450 12.298 1.295 1.00 0.00 C ATOM 971 C GLU B 62 -5.982 11.048 0.603 1.00 0.00 C ATOM 972 O GLU B 62 -7.176 10.759 0.651 1.00 0.00 O ATOM 973 CB GLU B 62 -5.702 13.527 0.421 1.00 0.00 C ATOM 974 CG GLU B 62 -5.127 13.423 -0.983 1.00 0.00 C ATOM 975 CD GLU B 62 -5.335 14.690 -1.785 1.00 0.00 C ATOM 976 OE1 GLU B 62 -4.739 15.731 -1.433 1.00 0.00 O1- ATOM 977 OE2 GLU B 62 -6.109 14.662 -2.763 1.00 0.00 O ATOM 0 H GLU B 62 -3.426 12.805 1.076 1.00 0.00 H new ATOM 0 HA GLU B 62 -5.984 12.413 2.238 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.777 13.694 0.350 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.276 14.402 0.912 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.061 13.206 -0.921 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.593 12.586 -1.503 1.00 0.00 H new ATOM 984 N LEU B 63 -5.089 10.303 -0.028 1.00 0.00 N ATOM 985 CA LEU B 63 -5.478 9.095 -0.733 1.00 0.00 C ATOM 986 C LEU B 63 -5.867 7.999 0.251 1.00 0.00 C ATOM 987 O LEU B 63 -6.750 7.197 -0.025 1.00 0.00 O ATOM 988 CB LEU B 63 -4.346 8.632 -1.647 1.00 0.00 C ATOM 989 CG LEU B 63 -3.991 9.617 -2.762 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.704 9.208 -3.444 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.119 9.714 -3.776 1.00 0.00 C ATOM 0 H LEU B 63 -4.092 10.514 -0.066 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.350 9.315 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.458 8.452 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.625 7.679 -2.096 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.848 10.600 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.468 9.921 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -1.894 9.194 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -2.821 8.214 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.844 10.420 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.297 8.733 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -6.026 10.058 -3.279 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.248 8.003 1.426 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.531 6.990 2.443 1.00 0.00 C ATOM 1005 C LEU B 64 -6.854 7.262 3.154 1.00 0.00 C ATOM 1006 O LEU B 64 -7.179 6.616 4.152 1.00 0.00 O ATOM 1007 CB LEU B 64 -4.396 6.923 3.466 1.00 0.00 C ATOM 1008 CG LEU B 64 -3.110 6.262 2.971 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -2.010 6.419 4.004 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.349 4.790 2.674 1.00 0.00 C ATOM 0 H LEU B 64 -4.549 8.693 1.700 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.611 6.030 1.933 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -4.162 7.937 3.792 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.750 6.380 4.342 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.799 6.754 2.050 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -1.099 5.944 3.640 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.823 7.479 4.178 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -2.317 5.947 4.937 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.423 4.335 2.323 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.680 4.285 3.581 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.115 4.694 1.905 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.617 8.214 2.640 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.916 8.536 3.206 1.00 0.00 C ATOM 1024 C LYS B 65 -10.012 7.690 2.573 1.00 0.00 C ATOM 1025 O LYS B 65 -11.098 7.547 3.139 1.00 0.00 O ATOM 1026 CB LYS B 65 -9.231 10.018 3.012 1.00 0.00 C ATOM 1027 CG LYS B 65 -8.295 10.945 3.771 1.00 0.00 C ATOM 1028 CD LYS B 65 -8.586 12.407 3.467 1.00 0.00 C ATOM 1029 CE LYS B 65 -10.018 12.782 3.812 1.00 0.00 C ATOM 1030 NZ LYS B 65 -10.265 14.240 3.652 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.358 8.778 1.830 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.879 8.315 4.273 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.180 10.255 1.949 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.255 10.208 3.333 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -8.397 10.768 4.842 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -7.263 10.716 3.507 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -7.899 13.039 4.030 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -8.404 12.602 2.410 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -10.703 12.226 3.172 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -10.232 12.488 4.840 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -11.253 14.454 3.897 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -9.630 14.771 4.281 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -10.086 14.516 2.666 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.730 7.111 1.411 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.737 6.355 0.692 1.00 0.00 C ATOM 1046 C TYR B 66 -10.704 4.899 1.132 1.00 0.00 C ATOM 1047 O TYR B 66 -9.693 4.215 0.981 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.506 6.463 -0.815 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.423 7.890 -1.315 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.572 8.643 -1.508 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.195 8.484 -1.585 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.501 9.946 -1.959 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.116 9.788 -2.035 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.273 10.514 -2.221 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.203 11.813 -2.670 1.00 0.00 O ATOM 0 H TYR B 66 -8.819 7.152 0.954 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.720 6.768 0.920 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.583 5.943 -1.071 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -11.315 5.951 -1.336 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.537 8.203 -1.302 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.288 7.916 -1.441 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.405 10.518 -2.106 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.155 10.235 -2.240 1.00 0.00 H new ATOM 0 HH TYR B 66 -9.265 12.062 -2.806 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.817 4.437 1.687 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.922 3.070 2.193 1.00 0.00 C ATOM 1067 C ASN B 67 -11.681 2.065 1.081 1.00 0.00 C ATOM 1068 O ASN B 67 -11.096 1.013 1.302 1.00 0.00 O ATOM 1069 CB ASN B 67 -13.299 2.825 2.807 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.515 3.584 4.099 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -12.590 3.784 4.883 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.740 4.029 4.316 1.00 0.00 N ATOM 0 H ASN B 67 -12.666 4.991 1.800 1.00 0.00 H new ATOM 0 HA ASN B 67 -11.160 2.942 2.962 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -14.067 3.114 2.090 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -13.423 1.758 2.994 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.947 4.561 5.161 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.479 3.840 3.638 1.00 0.00 H new ATOM 1079 N THR B 68 -12.134 2.411 -0.113 1.00 0.00 N ATOM 1080 CA THR B 68 -11.958 1.571 -1.288 1.00 0.00 C ATOM 1081 C THR B 68 -10.483 1.334 -1.598 1.00 0.00 C ATOM 1082 O THR B 68 -10.068 0.217 -1.930 1.00 0.00 O ATOM 1083 CB THR B 68 -12.640 2.228 -2.509 1.00 0.00 C ATOM 1084 OG1 THR B 68 -14.064 2.212 -2.339 1.00 0.00 O ATOM 1085 CG2 THR B 68 -12.258 1.539 -3.813 1.00 0.00 C ATOM 0 H THR B 68 -12.634 3.281 -0.296 1.00 0.00 H new ATOM 0 HA THR B 68 -12.419 0.606 -1.076 1.00 0.00 H new ATOM 0 HB THR B 68 -12.291 3.259 -2.570 1.00 0.00 H new ATOM 0 HG1 THR B 68 -14.475 1.709 -3.072 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.759 2.032 -4.646 1.00 0.00 H new ATOM 0 HG22 THR B 68 -11.179 1.598 -3.953 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.562 0.493 -3.775 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.690 2.379 -1.475 1.00 0.00 N ATOM 1094 CA VAL B 69 -8.293 2.309 -1.846 1.00 0.00 C ATOM 1095 C VAL B 69 -7.478 1.697 -0.711 1.00 0.00 C ATOM 1096 O VAL B 69 -6.590 0.876 -0.941 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.758 3.707 -2.234 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -8.766 4.414 -3.122 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.420 4.552 -1.022 1.00 0.00 C ATOM 0 H VAL B 69 -9.990 3.287 -1.121 1.00 0.00 H new ATOM 0 HA VAL B 69 -8.194 1.666 -2.720 1.00 0.00 H new ATOM 0 HB VAL B 69 -6.828 3.566 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -8.385 5.399 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -8.930 3.827 -4.026 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -9.709 4.525 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.049 5.524 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.314 4.690 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -6.654 4.050 -0.431 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.833 2.060 0.514 1.00 0.00 N ATOM 1110 CA LYS B 70 -7.149 1.564 1.695 1.00 0.00 C ATOM 1111 C LYS B 70 -7.460 0.081 1.898 1.00 0.00 C ATOM 1112 O LYS B 70 -6.634 -0.673 2.409 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.556 2.404 2.911 1.00 0.00 C ATOM 1114 CG LYS B 70 -6.786 2.083 4.181 1.00 0.00 C ATOM 1115 CD LYS B 70 -6.702 3.290 5.110 1.00 0.00 C ATOM 1116 CE LYS B 70 -8.075 3.834 5.477 1.00 0.00 C ATOM 1117 NZ LYS B 70 -7.979 5.015 6.373 1.00 0.00 N1+ ATOM 0 H LYS B 70 -8.599 2.703 0.714 1.00 0.00 H new ATOM 0 HA LYS B 70 -6.071 1.656 1.566 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -7.416 3.458 2.672 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -8.620 2.258 3.099 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -7.270 1.256 4.701 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -5.780 1.752 3.923 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -6.170 3.009 6.019 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -6.119 4.076 4.629 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -8.611 4.109 4.569 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -8.657 3.053 5.966 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -8.912 5.212 6.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -7.295 4.820 7.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -7.663 5.841 5.826 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.650 -0.328 1.466 1.00 0.00 N ATOM 1132 CA PHE B 71 -9.034 -1.734 1.463 1.00 0.00 C ATOM 1133 C PHE B 71 -8.061 -2.560 0.625 1.00 0.00 C ATOM 1134 O PHE B 71 -7.574 -3.603 1.057 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.456 -1.893 0.914 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.807 -3.300 0.518 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -11.087 -4.260 1.475 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.856 -3.657 -0.820 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.410 -5.552 1.104 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.177 -4.944 -1.197 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.454 -5.895 -0.234 1.00 0.00 C ATOM 0 H PHE B 71 -9.370 0.302 1.111 1.00 0.00 H new ATOM 0 HA PHE B 71 -9.003 -2.097 2.490 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -11.165 -1.551 1.668 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.574 -1.243 0.047 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -11.053 -3.997 2.522 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.640 -2.918 -1.577 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.628 -6.293 1.859 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.212 -5.208 -2.244 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.704 -6.904 -0.526 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.778 -2.074 -0.576 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.920 -2.791 -1.509 1.00 0.00 C ATOM 1153 C HIS B 72 -5.474 -2.794 -1.035 1.00 0.00 C ATOM 1154 O HIS B 72 -4.750 -3.767 -1.232 1.00 0.00 O ATOM 1155 CB HIS B 72 -7.017 -2.184 -2.907 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.252 -2.583 -3.656 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.407 -1.826 -3.680 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.501 -3.666 -4.429 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.305 -2.426 -4.439 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.781 -3.542 -4.902 1.00 0.00 N ATOM 0 H HIS B 72 -8.131 -1.184 -0.928 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.266 -3.824 -1.552 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.989 -1.098 -2.824 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -6.141 -2.482 -3.484 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -9.544 -0.943 -3.189 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -7.818 -4.477 -4.635 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.301 -2.063 -4.645 1.00 0.00 H new ATOM 1169 N LEU B 73 -5.063 -1.705 -0.401 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.710 -1.594 0.124 1.00 0.00 C ATOM 1171 C LEU B 73 -3.508 -2.539 1.304 1.00 0.00 C ATOM 1172 O LEU B 73 -2.428 -3.090 1.494 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.417 -0.153 0.544 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.381 0.866 -0.596 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -3.162 2.268 -0.051 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.296 0.512 -1.602 1.00 0.00 C ATOM 0 H LEU B 73 -5.648 -0.885 -0.238 1.00 0.00 H new ATOM 0 HA LEU B 73 -3.014 -1.877 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -4.173 0.159 1.264 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.457 -0.130 1.060 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.343 0.839 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -3.139 2.980 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.975 2.526 0.628 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -2.215 2.305 0.487 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.289 1.250 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.326 0.507 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.495 -0.475 -2.019 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.555 -2.737 2.088 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.488 -3.651 3.218 1.00 0.00 C ATOM 1190 C ALA B 74 -4.368 -5.091 2.746 1.00 0.00 C ATOM 1191 O ALA B 74 -3.777 -5.930 3.427 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.700 -3.488 4.108 1.00 0.00 C ATOM 0 H ALA B 74 -5.458 -2.280 1.964 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.597 -3.406 3.796 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.631 -4.180 4.947 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.741 -2.466 4.483 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.603 -3.701 3.536 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.914 -5.371 1.568 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.829 -6.704 0.994 1.00 0.00 C ATOM 1200 C LYS B 75 -3.382 -7.063 0.680 1.00 0.00 C ATOM 1201 O LYS B 75 -2.985 -8.220 0.802 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.687 -6.822 -0.268 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.176 -6.641 -0.013 1.00 0.00 C ATOM 1204 CD LYS B 75 -8.007 -6.985 -1.241 1.00 0.00 C ATOM 1205 CE LYS B 75 -7.904 -8.462 -1.591 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.786 -8.833 -2.728 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.418 -4.694 0.995 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.214 -7.407 1.733 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.358 -6.076 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.521 -7.800 -0.720 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.481 -7.273 0.821 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.372 -5.610 0.281 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -9.050 -6.725 -1.060 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.672 -6.386 -2.087 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -6.871 -8.703 -1.841 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -8.168 -9.060 -0.719 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.683 -9.848 -2.931 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -9.775 -8.628 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.518 -8.283 -3.569 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.585 -6.068 0.291 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.179 -6.316 0.010 1.00 0.00 C ATOM 1222 C VAL B 76 -0.406 -6.388 1.320 1.00 0.00 C ATOM 1223 O VAL B 76 0.549 -7.148 1.448 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.554 -5.255 -0.935 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.512 -4.920 -2.067 1.00 0.00 C ATOM 1226 CG2 VAL B 76 -0.137 -3.993 -0.190 1.00 0.00 C ATOM 0 H VAL B 76 -2.885 -5.101 0.166 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.113 -7.269 -0.515 1.00 0.00 H new ATOM 0 HB VAL B 76 0.352 -5.691 -1.356 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.058 -4.175 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.727 -5.822 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.439 -4.523 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.295 -3.281 -0.894 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.010 -3.548 0.288 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.603 -4.246 0.569 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.857 -5.616 2.307 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.270 -5.640 3.639 1.00 0.00 C ATOM 1238 C TYR B 77 -0.396 -7.035 4.241 1.00 0.00 C ATOM 1239 O TYR B 77 0.500 -7.507 4.946 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.954 -4.599 4.530 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.502 -4.621 5.974 1.00 0.00 C ATOM 1242 CD1 TYR B 77 0.844 -4.700 6.303 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.427 -4.553 7.006 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.256 -4.712 7.621 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -1.023 -4.564 8.327 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.319 -4.644 8.629 1.00 0.00 C ATOM 1247 OH TYR B 77 0.726 -4.651 9.944 1.00 0.00 O ATOM 0 H TYR B 77 -1.633 -4.962 2.204 1.00 0.00 H new ATOM 0 HA TYR B 77 0.789 -5.392 3.569 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.768 -3.607 4.118 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -2.031 -4.761 4.496 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.581 -4.753 5.515 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.480 -4.490 6.773 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.307 -4.774 7.860 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.755 -4.510 9.119 1.00 0.00 H new ATOM 0 HH TYR B 77 -0.058 -4.596 10.529 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.511 -7.693 3.947 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.714 -9.075 4.351 1.00 0.00 C ATOM 1259 C ARG B 78 -0.624 -9.962 3.771 1.00 0.00 C ATOM 1260 O ARG B 78 -0.087 -10.835 4.453 1.00 0.00 O ATOM 1261 CB ARG B 78 -3.072 -9.575 3.894 1.00 0.00 C ATOM 1262 CG ARG B 78 -4.221 -8.898 4.602 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.480 -9.721 4.479 1.00 0.00 C ATOM 1264 NE ARG B 78 -5.310 -11.054 5.060 1.00 0.00 N ATOM 1265 CZ ARG B 78 -6.112 -12.087 4.815 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -7.132 -11.960 3.977 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -5.884 -13.256 5.410 1.00 0.00 N ATOM 0 H ARG B 78 -2.290 -7.288 3.428 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.671 -9.118 5.439 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.169 -9.414 2.820 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.132 -10.650 4.062 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.974 -8.756 5.654 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -4.384 -7.908 4.177 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -6.302 -9.208 4.979 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.754 -9.814 3.428 1.00 0.00 H new ATOM 0 HE ARG B 78 -4.525 -11.200 5.694 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.305 -11.067 3.516 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -7.743 -12.756 3.793 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -5.097 -13.357 6.051 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -6.496 -14.050 5.225 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.293 -9.707 2.512 1.00 0.00 N ATOM 1282 CA ILE B 79 0.720 -10.476 1.804 1.00 0.00 C ATOM 1283 C ILE B 79 2.085 -10.324 2.463 1.00 0.00 C ATOM 1284 O ILE B 79 2.747 -11.313 2.745 1.00 0.00 O ATOM 1285 CB ILE B 79 0.824 -10.048 0.326 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.544 -10.149 -0.348 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.846 -10.907 -0.409 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.556 -9.642 -1.771 1.00 0.00 C ATOM 0 H ILE B 79 -0.717 -8.965 1.956 1.00 0.00 H new ATOM 0 HA ILE B 79 0.411 -11.520 1.849 1.00 0.00 H new ATOM 0 HB ILE B 79 1.158 -9.011 0.286 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -0.868 -11.190 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.270 -9.584 0.236 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.906 -10.590 -1.450 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.823 -10.793 0.061 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.542 -11.953 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.559 -9.745 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.263 -8.592 -1.786 1.00 0.00 H new ATOM 0 HD13 ILE B 79 0.145 -10.223 -2.370 1.00 0.00 H new ATOM 1300 N LEU B 80 2.495 -9.085 2.733 1.00 0.00 N ATOM 1301 CA LEU B 80 3.794 -8.840 3.365 1.00 0.00 C ATOM 1302 C LEU B 80 3.831 -9.394 4.787 1.00 0.00 C ATOM 1303 O LEU B 80 4.893 -9.480 5.402 1.00 0.00 O ATOM 1304 CB LEU B 80 4.147 -7.347 3.396 1.00 0.00 C ATOM 1305 CG LEU B 80 4.570 -6.716 2.062 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.477 -7.650 1.277 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.362 -6.313 1.244 1.00 0.00 C ATOM 0 H LEU B 80 1.955 -8.244 2.528 1.00 0.00 H new ATOM 0 HA LEU B 80 4.534 -9.359 2.756 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.283 -6.800 3.774 1.00 0.00 H new ATOM 0 HB3 LEU B 80 4.955 -7.202 4.113 1.00 0.00 H new ATOM 0 HG LEU B 80 5.138 -5.813 2.285 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.761 -7.177 0.337 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.373 -7.863 1.861 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.949 -8.581 1.070 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.691 -5.869 0.304 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.753 -7.193 1.036 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.771 -5.586 1.802 1.00 0.00 H new ATOM 1319 N SER B 81 2.671 -9.754 5.309 1.00 0.00 N ATOM 1320 CA SER B 81 2.589 -10.352 6.625 1.00 0.00 C ATOM 1321 C SER B 81 2.698 -11.871 6.518 1.00 0.00 C ATOM 1322 O SER B 81 3.494 -12.494 7.224 1.00 0.00 O ATOM 1323 CB SER B 81 1.278 -9.947 7.302 1.00 0.00 C ATOM 1324 OG SER B 81 1.158 -8.532 7.365 1.00 0.00 O ATOM 0 H SER B 81 1.773 -9.641 4.839 1.00 0.00 H new ATOM 0 HA SER B 81 3.417 -9.991 7.235 1.00 0.00 H new ATOM 0 HB2 SER B 81 0.435 -10.364 6.751 1.00 0.00 H new ATOM 0 HB3 SER B 81 1.239 -10.365 8.308 1.00 0.00 H new ATOM 0 HG SER B 81 0.875 -8.189 6.492 1.00 0.00 H new ATOM 1330 N SER B 82 1.916 -12.457 5.613 1.00 0.00 N ATOM 1331 CA SER B 82 1.928 -13.899 5.401 1.00 0.00 C ATOM 1332 C SER B 82 1.013 -14.297 4.246 1.00 0.00 C ATOM 1333 O SER B 82 -0.080 -13.746 4.092 1.00 0.00 O ATOM 1334 CB SER B 82 1.492 -14.618 6.677 1.00 0.00 C ATOM 1335 OG SER B 82 0.256 -14.104 7.158 1.00 0.00 O ATOM 0 H SER B 82 1.264 -11.951 5.014 1.00 0.00 H new ATOM 0 HA SER B 82 2.946 -14.193 5.146 1.00 0.00 H new ATOM 0 HB2 SER B 82 1.394 -15.686 6.481 1.00 0.00 H new ATOM 0 HB3 SER B 82 2.259 -14.504 7.443 1.00 0.00 H new ATOM 0 HG SER B 82 -0.002 -14.582 7.974 1.00 0.00 H new ATOM 1341 N THR B 83 1.466 -15.245 3.439 1.00 0.00 N ATOM 1342 CA THR B 83 0.653 -15.780 2.356 1.00 0.00 C ATOM 1343 C THR B 83 0.121 -17.162 2.726 1.00 0.00 C ATOM 1344 O THR B 83 -0.909 -17.603 2.217 1.00 0.00 O ATOM 1345 CB THR B 83 1.445 -15.859 1.028 1.00 0.00 C ATOM 1346 OG1 THR B 83 0.633 -16.417 -0.011 1.00 0.00 O ATOM 1347 CG2 THR B 83 2.714 -16.688 1.185 1.00 0.00 C ATOM 0 H THR B 83 2.394 -15.661 3.514 1.00 0.00 H new ATOM 0 HA THR B 83 -0.183 -15.097 2.207 1.00 0.00 H new ATOM 0 HB THR B 83 1.728 -14.842 0.757 1.00 0.00 H new ATOM 0 HG1 THR B 83 1.149 -16.458 -0.843 1.00 0.00 H new ATOM 0 HG21 THR B 83 3.246 -16.723 0.234 1.00 0.00 H new ATOM 0 HG22 THR B 83 3.354 -16.234 1.942 1.00 0.00 H new ATOM 0 HG23 THR B 83 2.452 -17.701 1.491 1.00 0.00 H new ATOM 1355 N VAL B 84 0.827 -17.836 3.623 1.00 0.00 N ATOM 1356 CA VAL B 84 0.429 -19.159 4.073 1.00 0.00 C ATOM 1357 C VAL B 84 0.466 -19.228 5.591 1.00 0.00 C ATOM 1358 O VAL B 84 1.167 -18.449 6.240 1.00 0.00 O ATOM 1359 CB VAL B 84 1.342 -20.267 3.499 1.00 0.00 C ATOM 1360 CG1 VAL B 84 1.181 -20.376 1.991 1.00 0.00 C ATOM 1361 CG2 VAL B 84 2.798 -20.022 3.871 1.00 0.00 C ATOM 0 H VAL B 84 1.682 -17.485 4.054 1.00 0.00 H new ATOM 0 HA VAL B 84 -0.585 -19.328 3.711 1.00 0.00 H new ATOM 0 HB VAL B 84 1.036 -21.215 3.942 1.00 0.00 H new ATOM 0 HG11 VAL B 84 1.834 -21.162 1.611 1.00 0.00 H new ATOM 0 HG12 VAL B 84 0.145 -20.617 1.752 1.00 0.00 H new ATOM 0 HG13 VAL B 84 1.449 -19.427 1.527 1.00 0.00 H new ATOM 0 HG21 VAL B 84 3.418 -20.816 3.455 1.00 0.00 H new ATOM 0 HG22 VAL B 84 3.120 -19.061 3.469 1.00 0.00 H new ATOM 0 HG23 VAL B 84 2.900 -20.013 4.956 1.00 0.00 H new ATOM 1371 N ASN B 85 -0.278 -20.168 6.154 1.00 0.00 N ATOM 1372 CA ASN B 85 -0.327 -20.338 7.602 1.00 0.00 C ATOM 1373 C ASN B 85 0.873 -21.139 8.096 1.00 0.00 C ATOM 1374 O ASN B 85 0.729 -22.170 8.748 1.00 0.00 O ATOM 1375 CB ASN B 85 -1.651 -20.997 8.031 1.00 0.00 C ATOM 1376 CG ASN B 85 -2.037 -22.228 7.216 1.00 0.00 C ATOM 1377 OD1 ASN B 85 -3.216 -22.437 6.929 1.00 0.00 O ATOM 1378 ND2 ASN B 85 -1.072 -23.066 6.862 1.00 0.00 N ATOM 0 H ASN B 85 -0.857 -20.826 5.632 1.00 0.00 H new ATOM 0 HA ASN B 85 -0.281 -19.351 8.062 1.00 0.00 H new ATOM 0 HB2 ASN B 85 -1.578 -21.280 9.081 1.00 0.00 H new ATOM 0 HB3 ASN B 85 -2.451 -20.260 7.954 1.00 0.00 H new ATOM 0 HD21 ASN B 85 -1.297 -23.911 6.337 1.00 0.00 H new ATOM 0 HD22 ASN B 85 -0.104 -22.865 7.114 1.00 0.00 H new ATOM 1385 N ASP B 86 2.061 -20.655 7.766 1.00 0.00 N ATOM 1386 CA ASP B 86 3.294 -21.313 8.166 1.00 0.00 C ATOM 1387 C ASP B 86 4.404 -20.285 8.355 1.00 0.00 C ATOM 1388 O ASP B 86 4.570 -19.739 9.444 1.00 0.00 O ATOM 1389 CB ASP B 86 3.706 -22.369 7.133 1.00 0.00 C ATOM 1390 CG ASP B 86 5.001 -23.063 7.502 1.00 0.00 C ATOM 1391 OD1 ASP B 86 4.989 -23.910 8.418 1.00 0.00 O1- ATOM 1392 OD2 ASP B 86 6.039 -22.756 6.880 1.00 0.00 O ATOM 0 H ASP B 86 2.197 -19.805 7.219 1.00 0.00 H new ATOM 0 HA ASP B 86 3.123 -21.818 9.117 1.00 0.00 H new ATOM 0 HB2 ASP B 86 2.913 -23.111 7.040 1.00 0.00 H new ATOM 0 HB3 ASP B 86 3.816 -21.896 6.157 1.00 0.00 H new ATOM 1397 N GLY B 87 5.129 -19.991 7.282 1.00 0.00 N ATOM 1398 CA GLY B 87 6.227 -19.046 7.360 1.00 0.00 C ATOM 1399 C GLY B 87 7.327 -19.521 8.286 1.00 0.00 C ATOM 1400 O GLY B 87 7.872 -18.739 9.065 1.00 0.00 O ATOM 0 H GLY B 87 4.975 -20.392 6.357 1.00 0.00 H new ATOM 0 HA2 GLY B 87 6.638 -18.886 6.363 1.00 0.00 H new ATOM 0 HA3 GLY B 87 5.852 -18.084 7.708 1.00 0.00 H new ATOM 1404 N SER B 88 7.641 -20.808 8.210 1.00 0.00 N ATOM 1405 CA SER B 88 8.680 -21.399 9.043 1.00 0.00 C ATOM 1406 C SER B 88 10.039 -20.751 8.783 1.00 0.00 C ATOM 1407 O SER B 88 10.553 -20.778 7.661 1.00 0.00 O ATOM 1408 CB SER B 88 8.742 -22.908 8.794 1.00 0.00 C ATOM 1409 OG SER B 88 8.536 -23.207 7.422 1.00 0.00 O ATOM 0 H SER B 88 7.188 -21.466 7.576 1.00 0.00 H new ATOM 0 HA SER B 88 8.429 -21.219 10.088 1.00 0.00 H new ATOM 0 HB2 SER B 88 9.711 -23.293 9.112 1.00 0.00 H new ATOM 0 HB3 SER B 88 7.986 -23.411 9.397 1.00 0.00 H new ATOM 0 HG SER B 88 7.584 -23.374 7.263 1.00 0.00 H new ATOM 1415 N SER B 89 10.607 -20.158 9.830 1.00 0.00 N ATOM 1416 CA SER B 89 11.895 -19.488 9.738 1.00 0.00 C ATOM 1417 C SER B 89 12.985 -20.465 9.305 1.00 0.00 C ATOM 1418 O SER B 89 12.977 -21.637 9.688 1.00 0.00 O ATOM 1419 CB SER B 89 12.245 -18.852 11.081 1.00 0.00 C ATOM 1420 OG SER B 89 11.212 -17.973 11.499 1.00 0.00 O ATOM 0 H SER B 89 10.188 -20.130 10.760 1.00 0.00 H new ATOM 0 HA SER B 89 11.829 -18.705 8.983 1.00 0.00 H new ATOM 0 HB2 SER B 89 12.394 -19.629 11.830 1.00 0.00 H new ATOM 0 HB3 SER B 89 13.184 -18.305 10.997 1.00 0.00 H new ATOM 0 HG SER B 89 11.451 -17.575 12.362 1.00 0.00 H new ATOM 1426 N GLY B 90 13.914 -19.969 8.504 1.00 0.00 N ATOM 1427 CA GLY B 90 14.910 -20.819 7.881 1.00 0.00 C ATOM 1428 C GLY B 90 14.744 -20.789 6.382 1.00 0.00 C ATOM 1429 O GLY B 90 15.614 -21.219 5.624 1.00 0.00 O ATOM 0 H GLY B 90 13.997 -18.980 8.271 1.00 0.00 H new ATOM 0 HA2 GLY B 90 15.910 -20.481 8.152 1.00 0.00 H new ATOM 0 HA3 GLY B 90 14.809 -21.841 8.247 1.00 0.00 H new ATOM 1433 N LYS B 91 13.594 -20.279 5.970 1.00 0.00 N ATOM 1434 CA LYS B 91 13.285 -20.048 4.575 1.00 0.00 C ATOM 1435 C LYS B 91 12.694 -18.656 4.453 1.00 0.00 C ATOM 1436 O LYS B 91 11.519 -18.460 4.764 1.00 0.00 O ATOM 1437 CB LYS B 91 12.280 -21.081 4.052 1.00 0.00 C ATOM 1438 CG LYS B 91 12.753 -22.521 4.154 1.00 0.00 C ATOM 1439 CD LYS B 91 11.738 -23.487 3.560 1.00 0.00 C ATOM 1440 CE LYS B 91 10.402 -23.421 4.285 1.00 0.00 C ATOM 1441 NZ LYS B 91 10.524 -23.794 5.717 1.00 0.00 N1+ ATOM 0 H LYS B 91 12.842 -20.012 6.606 1.00 0.00 H new ATOM 0 HA LYS B 91 14.195 -20.140 3.982 1.00 0.00 H new ATOM 0 HB2 LYS B 91 11.348 -20.977 4.607 1.00 0.00 H new ATOM 0 HB3 LYS B 91 12.056 -20.857 3.009 1.00 0.00 H new ATOM 0 HG2 LYS B 91 13.706 -22.629 3.636 1.00 0.00 H new ATOM 0 HG3 LYS B 91 12.928 -22.774 5.200 1.00 0.00 H new ATOM 0 HD2 LYS B 91 11.591 -23.256 2.505 1.00 0.00 H new ATOM 0 HD3 LYS B 91 12.130 -24.503 3.612 1.00 0.00 H new ATOM 0 HE2 LYS B 91 9.997 -22.412 4.207 1.00 0.00 H new ATOM 0 HE3 LYS B 91 9.692 -24.088 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 9.583 -23.785 6.160 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 10.933 -24.747 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 11.141 -23.112 6.202 1.00 0.00 H new ATOM 1455 N MET B 92 13.524 -17.696 4.050 1.00 0.00 N ATOM 1456 CA MET B 92 13.106 -16.297 3.962 1.00 0.00 C ATOM 1457 C MET B 92 11.750 -16.158 3.297 1.00 0.00 C ATOM 1458 O MET B 92 11.574 -16.465 2.116 1.00 0.00 O ATOM 1459 CB MET B 92 14.131 -15.449 3.216 1.00 0.00 C ATOM 1460 CG MET B 92 15.437 -15.272 3.971 1.00 0.00 C ATOM 1461 SD MET B 92 15.185 -14.652 5.647 1.00 0.00 S ATOM 1462 CE MET B 92 14.350 -13.107 5.307 1.00 0.00 C ATOM 0 H MET B 92 14.493 -17.862 3.778 1.00 0.00 H new ATOM 0 HA MET B 92 13.031 -15.932 4.986 1.00 0.00 H new ATOM 0 HB2 MET B 92 14.339 -15.910 2.250 1.00 0.00 H new ATOM 0 HB3 MET B 92 13.701 -14.468 3.015 1.00 0.00 H new ATOM 0 HG2 MET B 92 15.960 -16.227 4.015 1.00 0.00 H new ATOM 0 HG3 MET B 92 16.079 -14.582 3.424 1.00 0.00 H new ATOM 0 HE1 MET B 92 14.330 -12.498 6.211 1.00 0.00 H new ATOM 0 HE2 MET B 92 14.881 -12.572 4.520 1.00 0.00 H new ATOM 0 HE3 MET B 92 13.329 -13.309 4.983 1.00 0.00 H new ATOM 1472 N ASN B 93 10.800 -15.690 4.078 1.00 0.00 N ATOM 1473 CA ASN B 93 9.422 -15.585 3.640 1.00 0.00 C ATOM 1474 C ASN B 93 9.106 -14.141 3.278 1.00 0.00 C ATOM 1475 O ASN B 93 8.485 -13.876 2.254 1.00 0.00 O ATOM 1476 CB ASN B 93 8.483 -16.082 4.749 1.00 0.00 C ATOM 1477 CG ASN B 93 7.061 -16.379 4.284 1.00 0.00 C ATOM 1478 OD1 ASN B 93 6.382 -17.238 4.847 1.00 0.00 O ATOM 1479 ND2 ASN B 93 6.590 -15.687 3.262 1.00 0.00 N ATOM 0 H ASN B 93 10.959 -15.372 5.034 1.00 0.00 H new ATOM 0 HA ASN B 93 9.274 -16.206 2.757 1.00 0.00 H new ATOM 0 HB2 ASN B 93 8.905 -16.986 5.188 1.00 0.00 H new ATOM 0 HB3 ASN B 93 8.445 -15.332 5.539 1.00 0.00 H new ATOM 0 HD21 ASN B 93 5.644 -15.859 2.922 1.00 0.00 H new ATOM 0 HD22 ASN B 93 7.173 -14.981 2.813 1.00 0.00 H new ATOM 1486 N SER B 94 9.566 -13.214 4.111 1.00 0.00 N ATOM 1487 CA SER B 94 9.281 -11.797 3.931 1.00 0.00 C ATOM 1488 C SER B 94 9.726 -11.305 2.555 1.00 0.00 C ATOM 1489 O SER B 94 9.013 -10.546 1.896 1.00 0.00 O ATOM 1490 CB SER B 94 9.977 -10.992 5.027 1.00 0.00 C ATOM 1491 OG SER B 94 9.627 -11.473 6.314 1.00 0.00 O ATOM 0 H SER B 94 10.144 -13.423 4.925 1.00 0.00 H new ATOM 0 HA SER B 94 8.202 -11.655 3.999 1.00 0.00 H new ATOM 0 HB2 SER B 94 11.057 -11.050 4.895 1.00 0.00 H new ATOM 0 HB3 SER B 94 9.702 -9.941 4.941 1.00 0.00 H new ATOM 0 HG SER B 94 10.087 -10.942 6.998 1.00 0.00 H new ATOM 1497 N ASP B 95 10.890 -11.761 2.115 1.00 0.00 N ATOM 1498 CA ASP B 95 11.433 -11.348 0.825 1.00 0.00 C ATOM 1499 C ASP B 95 10.606 -11.895 -0.328 1.00 0.00 C ATOM 1500 O ASP B 95 10.458 -11.237 -1.355 1.00 0.00 O ATOM 1501 CB ASP B 95 12.888 -11.792 0.677 1.00 0.00 C ATOM 1502 CG ASP B 95 13.845 -10.881 1.414 1.00 0.00 C ATOM 1503 OD1 ASP B 95 14.095 -11.122 2.612 1.00 0.00 O ATOM 1504 OD2 ASP B 95 14.346 -9.917 0.797 1.00 0.00 O1- ATOM 0 H ASP B 95 11.478 -12.417 2.630 1.00 0.00 H new ATOM 0 HA ASP B 95 11.391 -10.259 0.791 1.00 0.00 H new ATOM 0 HB2 ASP B 95 12.995 -12.809 1.054 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.153 -11.814 -0.380 1.00 0.00 H new ATOM 1509 N LEU B 96 10.047 -13.085 -0.153 1.00 0.00 N ATOM 1510 CA LEU B 96 9.266 -13.707 -1.215 1.00 0.00 C ATOM 1511 C LEU B 96 7.912 -13.017 -1.318 1.00 0.00 C ATOM 1512 O LEU B 96 7.322 -12.934 -2.395 1.00 0.00 O ATOM 1513 CB LEU B 96 9.129 -15.228 -0.979 1.00 0.00 C ATOM 1514 CG LEU B 96 7.935 -15.713 -0.144 1.00 0.00 C ATOM 1515 CD1 LEU B 96 6.675 -15.819 -0.996 1.00 0.00 C ATOM 1516 CD2 LEU B 96 8.254 -17.056 0.488 1.00 0.00 C ATOM 0 H LEU B 96 10.118 -13.634 0.704 1.00 0.00 H new ATOM 0 HA LEU B 96 9.783 -13.585 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU B 96 9.079 -15.716 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU B 96 10.041 -15.576 -0.495 1.00 0.00 H new ATOM 0 HG LEU B 96 7.750 -14.981 0.643 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.846 -16.165 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU B 96 6.434 -14.841 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU B 96 6.843 -16.527 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU B 96 7.401 -17.392 1.078 1.00 0.00 H new ATOM 0 HD22 LEU B 96 8.464 -17.786 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU B 96 9.126 -16.956 1.134 1.00 0.00 H new ATOM 1528 N GLN B 97 7.440 -12.495 -0.190 1.00 0.00 N ATOM 1529 CA GLN B 97 6.167 -11.788 -0.145 1.00 0.00 C ATOM 1530 C GLN B 97 6.229 -10.523 -0.992 1.00 0.00 C ATOM 1531 O GLN B 97 5.217 -10.081 -1.531 1.00 0.00 O ATOM 1532 CB GLN B 97 5.795 -11.435 1.300 1.00 0.00 C ATOM 1533 CG GLN B 97 5.791 -12.628 2.248 1.00 0.00 C ATOM 1534 CD GLN B 97 4.553 -13.508 2.143 1.00 0.00 C ATOM 1535 OE1 GLN B 97 4.183 -14.184 3.100 1.00 0.00 O ATOM 1536 NE2 GLN B 97 3.886 -13.492 1.004 1.00 0.00 N ATOM 0 H GLN B 97 7.923 -12.549 0.707 1.00 0.00 H new ATOM 0 HA GLN B 97 5.399 -12.446 -0.552 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.497 -10.690 1.673 1.00 0.00 H new ATOM 0 HB3 GLN B 97 4.807 -10.974 1.308 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.673 -13.237 2.050 1.00 0.00 H new ATOM 0 HG3 GLN B 97 5.878 -12.264 3.272 1.00 0.00 H new ATOM 0 HE21 GLN B 97 4.218 -12.921 0.227 1.00 0.00 H new ATOM 0 HE22 GLN B 97 3.039 -14.051 0.901 1.00 0.00 H new ATOM 1545 N LYS B 98 7.430 -9.960 -1.116 1.00 0.00 N ATOM 1546 CA LYS B 98 7.642 -8.765 -1.929 1.00 0.00 C ATOM 1547 C LYS B 98 7.215 -8.994 -3.373 1.00 0.00 C ATOM 1548 O LYS B 98 6.760 -8.074 -4.043 1.00 0.00 O ATOM 1549 CB LYS B 98 9.112 -8.332 -1.897 1.00 0.00 C ATOM 1550 CG LYS B 98 9.410 -7.181 -0.948 1.00 0.00 C ATOM 1551 CD LYS B 98 9.296 -7.593 0.507 1.00 0.00 C ATOM 1552 CE LYS B 98 9.553 -6.416 1.436 1.00 0.00 C ATOM 1553 NZ LYS B 98 10.913 -5.836 1.254 1.00 0.00 N1+ ATOM 0 H LYS B 98 8.272 -10.314 -0.662 1.00 0.00 H new ATOM 0 HA LYS B 98 7.026 -7.974 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.724 -9.188 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS B 98 9.415 -8.044 -2.904 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.415 -6.805 -1.140 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.720 -6.361 -1.147 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.302 -7.998 0.696 1.00 0.00 H new ATOM 0 HD3 LYS B 98 10.010 -8.389 0.719 1.00 0.00 H new ATOM 0 HE2 LYS B 98 8.805 -5.644 1.256 1.00 0.00 H new ATOM 0 HE3 LYS B 98 9.434 -6.740 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 11.047 -5.049 1.920 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 11.630 -6.568 1.435 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 11.014 -5.486 0.280 1.00 0.00 H new ATOM 1567 N GLU B 99 7.358 -10.219 -3.852 1.00 0.00 N ATOM 1568 CA GLU B 99 6.992 -10.537 -5.221 1.00 0.00 C ATOM 1569 C GLU B 99 5.472 -10.542 -5.365 1.00 0.00 C ATOM 1570 O GLU B 99 4.910 -9.766 -6.137 1.00 0.00 O ATOM 1571 CB GLU B 99 7.576 -11.894 -5.622 1.00 0.00 C ATOM 1572 CG GLU B 99 7.990 -11.983 -7.085 1.00 0.00 C ATOM 1573 CD GLU B 99 6.839 -11.755 -8.041 1.00 0.00 C ATOM 1574 OE1 GLU B 99 6.021 -12.681 -8.223 1.00 0.00 O1- ATOM 1575 OE2 GLU B 99 6.745 -10.648 -8.614 1.00 0.00 O ATOM 0 H GLU B 99 7.723 -11.006 -3.315 1.00 0.00 H new ATOM 0 HA GLU B 99 7.402 -9.777 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU B 99 8.444 -12.104 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.839 -12.670 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU B 99 8.769 -11.247 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU B 99 8.424 -12.965 -7.275 1.00 0.00 H new ATOM 1582 N LEU B 100 4.816 -11.394 -4.586 1.00 0.00 N ATOM 1583 CA LEU B 100 3.362 -11.543 -4.643 1.00 0.00 C ATOM 1584 C LEU B 100 2.662 -10.221 -4.348 1.00 0.00 C ATOM 1585 O LEU B 100 1.631 -9.910 -4.943 1.00 0.00 O ATOM 1586 CB LEU B 100 2.879 -12.610 -3.650 1.00 0.00 C ATOM 1587 CG LEU B 100 3.230 -14.067 -3.990 1.00 0.00 C ATOM 1588 CD1 LEU B 100 2.747 -14.424 -5.387 1.00 0.00 C ATOM 1589 CD2 LEU B 100 4.724 -14.319 -3.860 1.00 0.00 C ATOM 0 H LEU B 100 5.270 -11.998 -3.901 1.00 0.00 H new ATOM 0 HA LEU B 100 3.108 -11.858 -5.655 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.295 -12.378 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.795 -12.531 -3.563 1.00 0.00 H new ATOM 0 HG LEU B 100 2.718 -14.709 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU B 100 3.006 -15.460 -5.608 1.00 0.00 H new ATOM 0 HD12 LEU B 100 1.665 -14.301 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU B 100 3.223 -13.768 -6.115 1.00 0.00 H new ATOM 0 HD21 LEU B 100 4.941 -15.358 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU B 100 5.264 -13.664 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU B 100 5.040 -14.116 -2.837 1.00 0.00 H new ATOM 1601 N ALA B 101 3.235 -9.444 -3.436 1.00 0.00 N ATOM 1602 CA ALA B 101 2.665 -8.158 -3.064 1.00 0.00 C ATOM 1603 C ALA B 101 2.614 -7.213 -4.263 1.00 0.00 C ATOM 1604 O ALA B 101 1.589 -6.583 -4.520 1.00 0.00 O ATOM 1605 CB ALA B 101 3.453 -7.541 -1.918 1.00 0.00 C ATOM 0 H ALA B 101 4.094 -9.684 -2.941 1.00 0.00 H new ATOM 0 HA ALA B 101 1.641 -8.322 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA B 101 3.014 -6.579 -1.651 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.421 -8.206 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.488 -7.395 -2.226 1.00 0.00 H new ATOM 1611 N VAL B 102 3.711 -7.146 -5.018 1.00 0.00 N ATOM 1612 CA VAL B 102 3.779 -6.284 -6.200 1.00 0.00 C ATOM 1613 C VAL B 102 2.735 -6.705 -7.232 1.00 0.00 C ATOM 1614 O VAL B 102 2.164 -5.870 -7.936 1.00 0.00 O ATOM 1615 CB VAL B 102 5.183 -6.306 -6.852 1.00 0.00 C ATOM 1616 CG1 VAL B 102 5.206 -5.490 -8.136 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.229 -5.783 -5.886 1.00 0.00 C ATOM 0 H VAL B 102 4.563 -7.676 -4.834 1.00 0.00 H new ATOM 0 HA VAL B 102 3.574 -5.267 -5.865 1.00 0.00 H new ATOM 0 HB VAL B 102 5.417 -7.341 -7.100 1.00 0.00 H new ATOM 0 HG11 VAL B 102 6.205 -5.524 -8.571 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.488 -5.904 -8.843 1.00 0.00 H new ATOM 0 HG13 VAL B 102 4.942 -4.456 -7.915 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.209 -5.807 -6.363 1.00 0.00 H new ATOM 0 HG22 VAL B 102 5.986 -4.758 -5.607 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.245 -6.408 -4.993 1.00 0.00 H new ATOM 1627 N ASN B 103 2.465 -8.002 -7.286 1.00 0.00 N ATOM 1628 CA ASN B 103 1.496 -8.549 -8.226 1.00 0.00 C ATOM 1629 C ASN B 103 0.095 -7.997 -7.968 1.00 0.00 C ATOM 1630 O ASN B 103 -0.744 -7.966 -8.868 1.00 0.00 O ATOM 1631 CB ASN B 103 1.489 -10.076 -8.157 1.00 0.00 C ATOM 1632 CG ASN B 103 2.617 -10.698 -8.959 1.00 0.00 C ATOM 1633 OD1 ASN B 103 2.489 -10.925 -10.163 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.726 -10.980 -8.300 1.00 0.00 N ATOM 0 H ASN B 103 2.906 -8.699 -6.686 1.00 0.00 H new ATOM 0 HA ASN B 103 1.795 -8.243 -9.229 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.571 -10.390 -7.116 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.535 -10.449 -8.528 1.00 0.00 H new ATOM 0 HD21 ASN B 103 4.516 -11.401 -8.788 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.792 -10.776 -7.303 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.156 -7.550 -6.742 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.424 -6.921 -6.412 1.00 0.00 C ATOM 1643 C TYR B 104 -1.412 -5.458 -6.823 1.00 0.00 C ATOM 1644 O TYR B 104 -2.393 -4.948 -7.361 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.729 -7.056 -4.922 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.505 -8.305 -4.581 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -1.995 -9.565 -4.866 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.753 -8.222 -3.978 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -2.710 -10.706 -4.562 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.471 -9.359 -3.669 1.00 0.00 C ATOM 1651 CZ TYR B 104 -3.945 -10.598 -3.962 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.663 -11.735 -3.663 1.00 0.00 O ATOM 0 H TYR B 104 0.501 -7.613 -5.965 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.212 -7.432 -6.966 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.792 -7.056 -4.365 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.295 -6.184 -4.594 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.025 -9.653 -5.332 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -4.168 -7.252 -3.747 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.303 -11.679 -4.794 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.440 -9.278 -3.200 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.512 -11.485 -3.242 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.289 -4.787 -6.597 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.147 -3.398 -7.021 1.00 0.00 C ATOM 1664 C LEU B 105 -0.243 -3.297 -8.538 1.00 0.00 C ATOM 1665 O LEU B 105 -0.724 -2.304 -9.069 1.00 0.00 O ATOM 1666 CB LEU B 105 1.175 -2.785 -6.541 1.00 0.00 C ATOM 1667 CG LEU B 105 1.226 -2.357 -5.067 1.00 0.00 C ATOM 1668 CD1 LEU B 105 0.063 -1.441 -4.730 1.00 0.00 C ATOM 1669 CD2 LEU B 105 1.235 -3.563 -4.146 1.00 0.00 C ATOM 0 H LEU B 105 0.529 -5.176 -6.128 1.00 0.00 H new ATOM 0 HA LEU B 105 -0.961 -2.834 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.972 -3.508 -6.716 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.394 -1.914 -7.159 1.00 0.00 H new ATOM 0 HG LEU B 105 2.154 -1.807 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU B 105 0.120 -1.151 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU B 105 0.109 -0.550 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.876 -1.964 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU B 105 1.271 -3.229 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.331 -4.150 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU B 105 2.109 -4.178 -4.360 1.00 0.00 H new ATOM 1681 N ASN B 106 0.198 -4.342 -9.228 1.00 0.00 N ATOM 1682 CA ASN B 106 0.093 -4.394 -10.684 1.00 0.00 C ATOM 1683 C ASN B 106 -1.363 -4.335 -11.120 1.00 0.00 C ATOM 1684 O ASN B 106 -1.703 -3.652 -12.086 1.00 0.00 O ATOM 1685 CB ASN B 106 0.747 -5.662 -11.238 1.00 0.00 C ATOM 1686 CG ASN B 106 2.249 -5.528 -11.419 1.00 0.00 C ATOM 1687 OD1 ASN B 106 2.829 -6.145 -12.309 1.00 0.00 O ATOM 1688 ND2 ASN B 106 2.889 -4.725 -10.584 1.00 0.00 N ATOM 0 H ASN B 106 0.631 -5.163 -8.806 1.00 0.00 H new ATOM 0 HA ASN B 106 0.619 -3.527 -11.084 1.00 0.00 H new ATOM 0 HB2 ASN B 106 0.541 -6.494 -10.564 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.292 -5.909 -12.197 1.00 0.00 H new ATOM 0 HD21 ASN B 106 3.898 -4.602 -10.667 1.00 0.00 H new ATOM 0 HD22 ASN B 106 2.373 -4.229 -9.857 1.00 0.00 H new ATOM 1695 N THR B 107 -2.223 -5.028 -10.388 1.00 0.00 N ATOM 1696 CA THR B 107 -3.642 -5.056 -10.711 1.00 0.00 C ATOM 1697 C THR B 107 -4.336 -3.777 -10.246 1.00 0.00 C ATOM 1698 O THR B 107 -5.493 -3.529 -10.589 1.00 0.00 O ATOM 1699 CB THR B 107 -4.347 -6.282 -10.088 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.273 -6.236 -8.656 1.00 0.00 O ATOM 1701 CG2 THR B 107 -3.717 -7.577 -10.580 1.00 0.00 C ATOM 0 H THR B 107 -1.964 -5.577 -9.568 1.00 0.00 H new ATOM 0 HA THR B 107 -3.717 -5.130 -11.796 1.00 0.00 H new ATOM 0 HB THR B 107 -5.392 -6.253 -10.396 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.657 -5.525 -8.383 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.230 -8.426 -10.128 1.00 0.00 H new ATOM 0 HG22 THR B 107 -3.805 -7.635 -11.665 1.00 0.00 H new ATOM 0 HG23 THR B 107 -2.664 -7.599 -10.300 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.619 -2.968 -9.468 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.171 -1.726 -8.941 1.00 0.00 C ATOM 1711 C LEU B 108 -3.657 -0.516 -9.712 1.00 0.00 C ATOM 1712 O LEU B 108 -4.206 0.578 -9.597 1.00 0.00 O ATOM 1713 CB LEU B 108 -3.839 -1.567 -7.458 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.368 -2.671 -6.546 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -4.004 -2.388 -5.097 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -5.878 -2.818 -6.702 1.00 0.00 C ATOM 0 H LEU B 108 -2.655 -3.152 -9.190 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.253 -1.779 -9.061 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.756 -1.517 -7.349 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -4.238 -0.613 -7.114 1.00 0.00 H new ATOM 0 HG LEU B 108 -3.901 -3.611 -6.839 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -4.390 -3.186 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -2.920 -2.337 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -4.441 -1.438 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -6.236 -3.610 -6.044 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.364 -1.879 -6.438 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -6.114 -3.071 -7.736 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.603 -0.715 -10.490 1.00 0.00 N ATOM 1729 CA ARG B 109 -2.049 0.353 -11.307 1.00 0.00 C ATOM 1730 C ARG B 109 -2.737 0.389 -12.665 1.00 0.00 C ATOM 1731 O ARG B 109 -3.526 -0.501 -12.987 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.538 0.183 -11.476 1.00 0.00 C ATOM 1733 CG ARG B 109 0.243 0.385 -10.187 1.00 0.00 C ATOM 1734 CD ARG B 109 1.735 0.164 -10.387 1.00 0.00 C ATOM 1735 NE ARG B 109 2.308 1.109 -11.343 1.00 0.00 N ATOM 1736 CZ ARG B 109 3.571 1.537 -11.308 1.00 0.00 C ATOM 1737 NH1 ARG B 109 4.407 1.103 -10.369 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 3.998 2.400 -12.218 1.00 0.00 N ATOM 0 H ARG B 109 -2.115 -1.607 -10.572 1.00 0.00 H new ATOM 0 HA ARG B 109 -2.228 1.301 -10.799 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -0.334 -0.815 -11.863 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.182 0.893 -12.222 1.00 0.00 H new ATOM 0 HG2 ARG B 109 0.072 1.395 -9.814 1.00 0.00 H new ATOM 0 HG3 ARG B 109 -0.127 -0.303 -9.427 1.00 0.00 H new ATOM 0 HD2 ARG B 109 2.247 0.262 -9.430 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.906 -0.854 -10.737 1.00 0.00 H new ATOM 0 HE ARG B 109 1.704 1.464 -12.084 1.00 0.00 H new ATOM 0 HH11 ARG B 109 4.084 0.437 -9.667 1.00 0.00 H new ATOM 0 HH12 ARG B 109 5.371 1.436 -10.351 1.00 0.00 H new ATOM 0 HH21 ARG B 109 3.362 2.735 -12.942 1.00 0.00 H new ATOM 0 HH22 ARG B 109 4.963 2.730 -12.195 1.00 0.00 H new ATOM 1752 N TYR B 110 -2.432 1.408 -13.457 1.00 0.00 N ATOM 1753 CA TYR B 110 -3.088 1.608 -14.744 1.00 0.00 C ATOM 1754 C TYR B 110 -2.966 0.374 -15.635 1.00 0.00 C ATOM 1755 O TYR B 110 -1.888 -0.213 -15.770 1.00 0.00 O ATOM 1756 CB TYR B 110 -2.500 2.829 -15.453 1.00 0.00 C ATOM 1757 CG TYR B 110 -3.173 3.145 -16.770 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -4.544 3.360 -16.836 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -2.439 3.224 -17.946 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -5.164 3.645 -18.036 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -3.053 3.509 -19.150 1.00 0.00 C ATOM 1762 CZ TYR B 110 -4.414 3.719 -19.191 1.00 0.00 C ATOM 1763 OH TYR B 110 -5.030 4.005 -20.389 1.00 0.00 O ATOM 0 H TYR B 110 -1.731 2.113 -13.230 1.00 0.00 H new ATOM 0 HA TYR B 110 -4.148 1.778 -14.553 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -2.581 3.695 -14.796 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -1.437 2.661 -15.628 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -5.134 3.303 -15.934 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -1.372 3.060 -17.919 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -6.231 3.809 -18.070 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -2.468 3.567 -20.056 1.00 0.00 H new ATOM 0 HH TYR B 110 -4.361 4.021 -21.105 1.00 0.00 H new ATOM 1773 N GLY B 111 -4.088 -0.019 -16.226 1.00 0.00 N ATOM 1774 CA GLY B 111 -4.100 -1.158 -17.118 1.00 0.00 C ATOM 1775 C GLY B 111 -4.340 -2.462 -16.387 1.00 0.00 C ATOM 1776 O GLY B 111 -4.186 -3.539 -16.962 1.00 0.00 O ATOM 0 H GLY B 111 -4.993 0.435 -16.101 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -4.876 -1.018 -17.870 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -3.149 -1.211 -17.647 1.00 0.00 H new ATOM 1780 N GLY B 112 -4.718 -2.366 -15.118 1.00 0.00 N ATOM 1781 CA GLY B 112 -4.994 -3.541 -14.342 1.00 0.00 C ATOM 1782 C GLY B 112 -6.439 -3.951 -14.456 1.00 0.00 C ATOM 1783 O GLY B 112 -7.213 -3.359 -15.211 1.00 0.00 O ATOM 0 H GLY B 112 -4.836 -1.485 -14.618 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -4.355 -4.358 -14.677 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -4.749 -3.354 -13.296 1.00 0.00 H new ATOM 1787 N ILE B 113 -6.808 -4.946 -13.688 1.00 0.00 N ATOM 1788 CA ILE B 113 -8.137 -5.531 -13.780 1.00 0.00 C ATOM 1789 C ILE B 113 -9.141 -4.811 -12.883 1.00 0.00 C ATOM 1790 O ILE B 113 -10.251 -4.497 -13.311 1.00 0.00 O ATOM 1791 CB ILE B 113 -8.108 -7.036 -13.445 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -7.452 -7.285 -12.080 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -7.363 -7.783 -14.540 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -7.446 -8.740 -11.659 1.00 0.00 C ATOM 0 H ILE B 113 -6.207 -5.375 -12.985 1.00 0.00 H new ATOM 0 HA ILE B 113 -8.464 -5.409 -14.813 1.00 0.00 H new ATOM 0 HB ILE B 113 -9.133 -7.404 -13.390 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -6.425 -6.921 -12.110 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -7.976 -6.700 -11.324 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -7.342 -8.847 -14.305 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -7.870 -7.632 -15.493 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -6.343 -7.406 -14.608 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -6.966 -8.835 -10.685 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -8.471 -9.105 -11.595 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -6.896 -9.329 -12.393 1.00 0.00 H new ATOM 1806 N HIS B 114 -8.751 -4.552 -11.642 1.00 0.00 N ATOM 1807 CA HIS B 114 -9.614 -3.858 -10.693 1.00 0.00 C ATOM 1808 C HIS B 114 -8.868 -2.667 -10.124 1.00 0.00 C ATOM 1809 O HIS B 114 -8.844 -2.448 -8.911 1.00 0.00 O ATOM 1810 CB HIS B 114 -10.041 -4.796 -9.557 1.00 0.00 C ATOM 1811 CG HIS B 114 -10.670 -6.070 -10.027 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -10.279 -7.307 -9.574 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -11.657 -6.295 -10.925 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -10.993 -8.238 -10.172 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -11.839 -7.651 -10.995 1.00 0.00 N ATOM 0 H HIS B 114 -7.839 -4.813 -11.267 1.00 0.00 H new ATOM 0 HA HIS B 114 -10.512 -3.522 -11.212 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -9.168 -5.036 -8.949 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.745 -4.271 -8.911 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.200 -5.546 -11.482 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -10.901 -9.303 -10.015 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -12.518 -8.129 -11.587 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.243 -1.908 -11.008 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.348 -0.853 -10.583 1.00 0.00 C ATOM 1826 C TYR B 115 -8.120 0.365 -10.103 1.00 0.00 C ATOM 1827 O TYR B 115 -9.236 0.639 -10.555 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.354 -0.497 -11.702 1.00 0.00 C ATOM 1829 CG TYR B 115 -6.766 0.638 -12.612 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.508 1.956 -12.259 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -7.390 0.394 -13.828 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -6.864 2.998 -13.085 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -7.745 1.434 -14.664 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.482 2.735 -14.287 1.00 0.00 C ATOM 1835 OH TYR B 115 -7.835 3.777 -15.114 1.00 0.00 O ATOM 0 H TYR B 115 -8.340 -2.004 -12.019 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.770 -1.219 -9.734 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.398 -0.242 -11.245 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.189 -1.385 -12.312 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -6.019 2.167 -11.319 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -7.601 -0.623 -14.124 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -6.660 4.017 -12.792 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -8.226 1.230 -15.609 1.00 0.00 H new ATOM 0 HH TYR B 115 -8.260 3.423 -15.923 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.513 1.081 -9.175 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.121 2.255 -8.580 1.00 0.00 C ATOM 1847 C ASN B 116 -7.205 3.450 -8.757 1.00 0.00 C ATOM 1848 O ASN B 116 -6.005 3.373 -8.496 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.413 2.009 -7.099 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.722 1.273 -6.890 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -10.764 1.890 -6.664 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -9.687 -0.050 -6.984 1.00 0.00 N ATOM 0 H ASN B 116 -6.584 0.865 -8.813 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.067 2.462 -9.081 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.599 1.432 -6.661 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.446 2.963 -6.573 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.543 -0.592 -6.868 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -8.804 -0.525 -7.172 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.789 4.553 -9.206 1.00 0.00 N ATOM 1860 CA GLU B 117 -7.027 5.729 -9.600 1.00 0.00 C ATOM 1861 C GLU B 117 -6.291 6.345 -8.417 1.00 0.00 C ATOM 1862 O GLU B 117 -5.229 6.935 -8.588 1.00 0.00 O ATOM 1863 CB GLU B 117 -7.946 6.760 -10.254 1.00 0.00 C ATOM 1864 CG GLU B 117 -9.087 7.213 -9.361 1.00 0.00 C ATOM 1865 CD GLU B 117 -10.032 8.158 -10.064 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -9.697 9.353 -10.185 1.00 0.00 O ATOM 1867 OE2 GLU B 117 -11.121 7.712 -10.481 1.00 0.00 O1- ATOM 0 H GLU B 117 -8.799 4.657 -9.307 1.00 0.00 H new ATOM 0 HA GLU B 117 -6.277 5.412 -10.324 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -7.355 7.629 -10.543 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -8.359 6.337 -11.170 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -9.641 6.341 -9.015 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.679 7.703 -8.477 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.843 6.196 -7.218 1.00 0.00 N ATOM 1875 CA ALA B 118 -6.186 6.718 -6.031 1.00 0.00 C ATOM 1876 C ALA B 118 -4.961 5.883 -5.697 1.00 0.00 C ATOM 1877 O ALA B 118 -3.965 6.403 -5.214 1.00 0.00 O ATOM 1878 CB ALA B 118 -7.137 6.765 -4.854 1.00 0.00 C ATOM 0 H ALA B 118 -7.731 5.725 -7.045 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.867 7.739 -6.241 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.617 7.160 -3.981 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -7.982 7.410 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.498 5.759 -4.637 1.00 0.00 H new ATOM 1884 N ILE B 119 -5.041 4.582 -5.964 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.896 3.693 -5.795 1.00 0.00 C ATOM 1886 C ILE B 119 -2.832 4.019 -6.835 1.00 0.00 C ATOM 1887 O ILE B 119 -1.634 4.001 -6.546 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.289 2.205 -5.926 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.404 1.853 -4.941 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -3.075 1.312 -5.695 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -5.012 2.035 -3.494 1.00 0.00 C ATOM 0 H ILE B 119 -5.887 4.120 -6.298 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.508 3.853 -4.789 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.658 2.036 -6.938 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.275 2.473 -5.154 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.704 0.817 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.369 0.267 -5.791 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.308 1.543 -6.434 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.679 1.487 -4.695 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.852 1.767 -2.853 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -4.161 1.394 -3.264 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.740 3.076 -3.319 1.00 0.00 H new ATOM 1903 N GLU B 120 -3.287 4.319 -8.045 1.00 0.00 N ATOM 1904 CA GLU B 120 -2.398 4.735 -9.118 1.00 0.00 C ATOM 1905 C GLU B 120 -1.628 5.983 -8.696 1.00 0.00 C ATOM 1906 O GLU B 120 -0.397 6.014 -8.750 1.00 0.00 O ATOM 1907 CB GLU B 120 -3.198 5.018 -10.390 1.00 0.00 C ATOM 1908 CG GLU B 120 -2.331 5.294 -11.604 1.00 0.00 C ATOM 1909 CD GLU B 120 -3.123 5.844 -12.771 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -3.798 5.061 -13.467 1.00 0.00 O ATOM 1911 OE2 GLU B 120 -3.055 7.067 -13.011 1.00 0.00 O1- ATOM 0 H GLU B 120 -4.272 4.281 -8.307 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.691 3.931 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -3.843 4.165 -10.601 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.849 5.875 -10.217 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -1.549 6.003 -11.334 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -1.834 4.373 -11.908 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.364 7.001 -8.255 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.758 8.237 -7.775 1.00 0.00 C ATOM 1920 C GLU B 121 -0.910 7.974 -6.535 1.00 0.00 C ATOM 1921 O GLU B 121 0.163 8.551 -6.379 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.833 9.280 -7.462 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.659 9.683 -8.672 1.00 0.00 C ATOM 1924 CD GLU B 121 -4.675 10.758 -8.351 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -5.781 10.420 -7.880 1.00 0.00 O1- ATOM 1926 OE2 GLU B 121 -4.370 11.952 -8.565 1.00 0.00 O ATOM 0 H GLU B 121 -3.383 6.992 -8.221 1.00 0.00 H new ATOM 0 HA GLU B 121 -1.114 8.625 -8.564 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.498 8.885 -6.694 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.356 10.167 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -2.994 10.040 -9.459 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -4.175 8.806 -9.064 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.401 7.094 -5.664 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.677 6.697 -4.458 1.00 0.00 C ATOM 1935 C PHE B 122 0.713 6.217 -4.829 1.00 0.00 C ATOM 1936 O PHE B 122 1.712 6.701 -4.300 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.441 5.579 -3.737 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.846 5.157 -2.422 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -1.228 5.776 -1.244 1.00 0.00 C ATOM 1940 CD2 PHE B 122 0.087 4.133 -2.365 1.00 0.00 C ATOM 1941 CE1 PHE B 122 -0.688 5.385 -0.032 1.00 0.00 C ATOM 1942 CE2 PHE B 122 0.630 3.739 -1.159 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.243 4.366 0.010 1.00 0.00 C ATOM 0 H PHE B 122 -2.307 6.638 -5.773 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.592 7.556 -3.792 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.466 5.909 -3.567 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.491 4.710 -4.393 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -1.956 6.573 -1.272 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.392 3.638 -3.275 1.00 0.00 H new ATOM 0 HE1 PHE B 122 -0.994 5.876 0.880 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.357 2.941 -1.129 1.00 0.00 H new ATOM 0 HZ PHE B 122 0.668 4.060 0.955 1.00 0.00 H new ATOM 1953 N CYS B 123 0.758 5.273 -5.754 1.00 0.00 N ATOM 1954 CA CYS B 123 2.008 4.737 -6.255 1.00 0.00 C ATOM 1955 C CYS B 123 2.887 5.851 -6.816 1.00 0.00 C ATOM 1956 O CYS B 123 4.065 5.950 -6.477 1.00 0.00 O ATOM 1957 CB CYS B 123 1.722 3.691 -7.336 1.00 0.00 C ATOM 1958 SG CYS B 123 3.197 2.963 -8.081 1.00 0.00 S ATOM 0 H CYS B 123 -0.072 4.858 -6.177 1.00 0.00 H new ATOM 0 HA CYS B 123 2.544 4.265 -5.431 1.00 0.00 H new ATOM 0 HB2 CYS B 123 1.118 2.894 -6.902 1.00 0.00 H new ATOM 0 HB3 CYS B 123 1.124 4.153 -8.121 1.00 0.00 H new ATOM 0 HG CYS B 123 3.196 1.679 -7.880 1.00 0.00 H new ATOM 1964 N GLN B 124 2.293 6.707 -7.639 1.00 0.00 N ATOM 1965 CA GLN B 124 3.037 7.751 -8.339 1.00 0.00 C ATOM 1966 C GLN B 124 3.616 8.780 -7.375 1.00 0.00 C ATOM 1967 O GLN B 124 4.815 9.058 -7.406 1.00 0.00 O ATOM 1968 CB GLN B 124 2.139 8.442 -9.365 1.00 0.00 C ATOM 1969 CG GLN B 124 1.710 7.530 -10.503 1.00 0.00 C ATOM 1970 CD GLN B 124 2.881 7.044 -11.333 1.00 0.00 C ATOM 1971 OE1 GLN B 124 3.884 7.742 -11.487 1.00 0.00 O ATOM 1972 NE2 GLN B 124 2.768 5.840 -11.868 1.00 0.00 N ATOM 0 H GLN B 124 1.293 6.699 -7.840 1.00 0.00 H new ATOM 0 HA GLN B 124 3.871 7.271 -8.851 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.251 8.824 -8.861 1.00 0.00 H new ATOM 0 HB3 GLN B 124 2.666 9.302 -9.778 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.178 6.671 -10.094 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.010 8.063 -11.146 1.00 0.00 H new ATOM 0 HE21 GLN B 124 1.921 5.292 -11.717 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.528 5.459 -12.431 1.00 0.00 H new ATOM 1981 N ILE B 125 2.764 9.337 -6.522 1.00 0.00 N ATOM 1982 CA ILE B 125 3.182 10.356 -5.565 1.00 0.00 C ATOM 1983 C ILE B 125 4.205 9.793 -4.583 1.00 0.00 C ATOM 1984 O ILE B 125 5.209 10.436 -4.272 1.00 0.00 O ATOM 1985 CB ILE B 125 1.969 10.902 -4.775 1.00 0.00 C ATOM 1986 CG1 ILE B 125 0.944 11.512 -5.733 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.414 11.932 -3.743 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.388 11.811 -5.082 1.00 0.00 C ATOM 0 H ILE B 125 1.773 9.098 -6.473 1.00 0.00 H new ATOM 0 HA ILE B 125 3.637 11.168 -6.132 1.00 0.00 H new ATOM 0 HB ILE B 125 1.502 10.072 -4.246 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.351 12.434 -6.149 1.00 0.00 H new ATOM 0 HG13 ILE B 125 0.786 10.828 -6.567 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.544 12.302 -3.200 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.109 11.469 -3.043 1.00 0.00 H new ATOM 0 HG23 ILE B 125 2.907 12.763 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -1.065 12.241 -5.820 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.817 10.889 -4.690 1.00 0.00 H new ATOM 0 HD13 ILE B 125 -0.243 12.519 -4.266 1.00 0.00 H new ATOM 2000 N LEU B 126 3.952 8.580 -4.118 1.00 0.00 N ATOM 2001 CA LEU B 126 4.793 7.958 -3.110 1.00 0.00 C ATOM 2002 C LEU B 126 6.166 7.596 -3.667 1.00 0.00 C ATOM 2003 O LEU B 126 7.190 8.010 -3.117 1.00 0.00 O ATOM 2004 CB LEU B 126 4.113 6.712 -2.557 1.00 0.00 C ATOM 2005 CG LEU B 126 4.862 6.032 -1.421 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.078 7.006 -0.280 1.00 0.00 C ATOM 2007 CD2 LEU B 126 4.108 4.802 -0.957 1.00 0.00 C ATOM 0 H LEU B 126 3.167 8.005 -4.425 1.00 0.00 H new ATOM 0 HA LEU B 126 4.937 8.681 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.117 6.983 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU B 126 3.982 5.996 -3.368 1.00 0.00 H new ATOM 0 HG LEU B 126 5.840 5.711 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.615 6.508 0.527 1.00 0.00 H new ATOM 0 HD12 LEU B 126 5.661 7.856 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.113 7.355 0.088 1.00 0.00 H new ATOM 0 HD21 LEU B 126 4.655 4.325 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU B 126 3.118 5.093 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU B 126 4.008 4.102 -1.787 1.00 0.00 H new ATOM 2019 N LEU B 127 6.194 6.836 -4.764 1.00 0.00 N ATOM 2020 CA LEU B 127 7.459 6.361 -5.320 1.00 0.00 C ATOM 2021 C LEU B 127 8.310 7.545 -5.762 1.00 0.00 C ATOM 2022 O LEU B 127 9.541 7.474 -5.769 1.00 0.00 O ATOM 2023 CB LEU B 127 7.224 5.392 -6.499 1.00 0.00 C ATOM 2024 CG LEU B 127 6.950 6.033 -7.871 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.253 6.312 -8.614 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.048 5.140 -8.707 1.00 0.00 C ATOM 0 H LEU B 127 5.365 6.540 -5.279 1.00 0.00 H new ATOM 0 HA LEU B 127 7.990 5.812 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.099 4.749 -6.592 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.381 4.748 -6.249 1.00 0.00 H new ATOM 0 HG LEU B 127 6.443 6.983 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.031 6.765 -9.580 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.868 6.994 -8.027 1.00 0.00 H new ATOM 0 HD13 LEU B 127 8.792 5.377 -8.767 1.00 0.00 H new ATOM 0 HD21 LEU B 127 5.865 5.610 -9.673 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.531 4.175 -8.858 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.100 4.994 -8.190 1.00 0.00 H new ATOM 2038 N ASP B 128 7.630 8.630 -6.116 1.00 0.00 N ATOM 2039 CA ASP B 128 8.277 9.853 -6.572 1.00 0.00 C ATOM 2040 C ASP B 128 9.259 10.354 -5.530 1.00 0.00 C ATOM 2041 O ASP B 128 10.374 10.764 -5.848 1.00 0.00 O ATOM 2042 CB ASP B 128 7.223 10.928 -6.825 1.00 0.00 C ATOM 2043 CG ASP B 128 7.747 12.102 -7.628 1.00 0.00 C ATOM 2044 OD1 ASP B 128 7.714 12.030 -8.874 1.00 0.00 O ATOM 2045 OD2 ASP B 128 8.175 13.107 -7.020 1.00 0.00 O1- ATOM 0 H ASP B 128 6.612 8.685 -6.094 1.00 0.00 H new ATOM 0 HA ASP B 128 8.816 9.637 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.379 10.483 -7.353 1.00 0.00 H new ATOM 0 HB3 ASP B 128 6.846 11.290 -5.869 1.00 0.00 H new ATOM 2050 N LYS B 129 8.837 10.297 -4.279 1.00 0.00 N ATOM 2051 CA LYS B 129 9.641 10.801 -3.183 1.00 0.00 C ATOM 2052 C LYS B 129 10.533 9.698 -2.621 1.00 0.00 C ATOM 2053 O LYS B 129 11.643 9.961 -2.161 1.00 0.00 O ATOM 2054 CB LYS B 129 8.743 11.371 -2.084 1.00 0.00 C ATOM 2055 CG LYS B 129 7.610 12.247 -2.602 1.00 0.00 C ATOM 2056 CD LYS B 129 8.109 13.311 -3.565 1.00 0.00 C ATOM 2057 CE LYS B 129 6.966 14.161 -4.094 1.00 0.00 C ATOM 2058 NZ LYS B 129 7.400 15.037 -5.212 1.00 0.00 N1+ ATOM 0 H LYS B 129 7.938 9.905 -3.998 1.00 0.00 H new ATOM 0 HA LYS B 129 10.279 11.600 -3.562 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.318 10.546 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.354 11.955 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS B 129 6.869 11.623 -3.103 1.00 0.00 H new ATOM 0 HG3 LYS B 129 7.108 12.726 -1.761 1.00 0.00 H new ATOM 0 HD2 LYS B 129 8.835 13.949 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS B 129 8.627 12.836 -4.398 1.00 0.00 H new ATOM 0 HE2 LYS B 129 6.158 13.513 -4.433 1.00 0.00 H new ATOM 0 HE3 LYS B 129 6.565 14.774 -3.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 6.615 15.661 -5.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 8.210 15.614 -4.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 7.679 14.451 -6.024 1.00 0.00 H new ATOM 2072 N LEU B 130 10.053 8.458 -2.687 1.00 0.00 N ATOM 2073 CA LEU B 130 10.819 7.310 -2.201 1.00 0.00 C ATOM 2074 C LEU B 130 12.090 7.108 -3.018 1.00 0.00 C ATOM 2075 O LEU B 130 13.095 6.614 -2.509 1.00 0.00 O ATOM 2076 CB LEU B 130 9.973 6.037 -2.236 1.00 0.00 C ATOM 2077 CG LEU B 130 8.918 5.920 -1.135 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.002 4.741 -1.406 1.00 0.00 C ATOM 2079 CD2 LEU B 130 9.581 5.760 0.225 1.00 0.00 C ATOM 0 H LEU B 130 9.138 8.222 -3.072 1.00 0.00 H new ATOM 0 HA LEU B 130 11.101 7.519 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.473 5.980 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU B 130 10.639 5.177 -2.171 1.00 0.00 H new ATOM 0 HG LEU B 130 8.325 6.835 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU B 130 7.256 4.670 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU B 130 7.502 4.882 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU B 130 8.589 3.823 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU B 130 8.815 5.678 0.996 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.195 4.859 0.227 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.209 6.628 0.428 1.00 0.00 H new ATOM 2091 N ASN B 131 12.045 7.488 -4.287 1.00 0.00 N ATOM 2092 CA ASN B 131 13.227 7.416 -5.137 1.00 0.00 C ATOM 2093 C ASN B 131 14.010 8.719 -5.082 1.00 0.00 C ATOM 2094 O ASN B 131 15.160 8.782 -5.516 1.00 0.00 O ATOM 2095 CB ASN B 131 12.843 7.098 -6.582 1.00 0.00 C ATOM 2096 CG ASN B 131 12.474 5.641 -6.778 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.334 4.806 -7.064 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.196 5.322 -6.637 1.00 0.00 N ATOM 0 H ASN B 131 11.210 7.847 -4.749 1.00 0.00 H new ATOM 0 HA ASN B 131 13.858 6.611 -4.761 1.00 0.00 H new ATOM 0 HB2 ASN B 131 12.002 7.725 -6.877 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.675 7.350 -7.239 1.00 0.00 H new ATOM 0 HD21 ASN B 131 10.894 4.356 -6.766 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.514 6.042 -6.400 1.00 0.00 H new ATOM 2105 N ALA B 132 13.393 9.751 -4.526 1.00 0.00 N ATOM 2106 CA ALA B 132 14.013 11.068 -4.461 1.00 0.00 C ATOM 2107 C ALA B 132 14.799 11.252 -3.176 1.00 0.00 C ATOM 2108 O ALA B 132 15.474 12.263 -2.988 1.00 0.00 O ATOM 2109 CB ALA B 132 12.967 12.160 -4.599 1.00 0.00 C ATOM 0 H ALA B 132 12.462 9.703 -4.112 1.00 0.00 H new ATOM 0 HA ALA B 132 14.712 11.142 -5.294 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.451 13.136 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.458 12.057 -5.557 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.241 12.072 -3.791 1.00 0.00 H new ATOM 2115 N VAL B 133 14.710 10.274 -2.297 1.00 0.00 N ATOM 2116 CA VAL B 133 15.459 10.309 -1.052 1.00 0.00 C ATOM 2117 C VAL B 133 16.778 9.571 -1.237 1.00 0.00 C ATOM 2118 O VAL B 133 17.749 9.790 -0.514 1.00 0.00 O ATOM 2119 CB VAL B 133 14.655 9.687 0.116 1.00 0.00 C ATOM 2120 CG1 VAL B 133 14.239 8.262 -0.204 1.00 0.00 C ATOM 2121 CG2 VAL B 133 15.457 9.727 1.406 1.00 0.00 C ATOM 0 H VAL B 133 14.128 9.445 -2.419 1.00 0.00 H new ATOM 0 HA VAL B 133 15.652 11.351 -0.796 1.00 0.00 H new ATOM 0 HB VAL B 133 13.752 10.283 0.252 1.00 0.00 H new ATOM 0 HG11 VAL B 133 13.676 7.850 0.634 1.00 0.00 H new ATOM 0 HG12 VAL B 133 13.615 8.257 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL B 133 15.127 7.654 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL B 133 14.872 9.285 2.212 1.00 0.00 H new ATOM 0 HG22 VAL B 133 16.381 9.164 1.277 1.00 0.00 H new ATOM 0 HG23 VAL B 133 15.694 10.761 1.655 1.00 0.00 H new ATOM 2131 N LYS B 134 16.801 8.717 -2.243 1.00 0.00 N ATOM 2132 CA LYS B 134 17.977 7.930 -2.561 1.00 0.00 C ATOM 2133 C LYS B 134 18.974 8.767 -3.349 1.00 0.00 C ATOM 2134 O LYS B 134 18.900 8.855 -4.574 1.00 0.00 O ATOM 2135 CB LYS B 134 17.568 6.691 -3.358 1.00 0.00 C ATOM 2136 CG LYS B 134 16.522 5.840 -2.653 1.00 0.00 C ATOM 2137 CD LYS B 134 17.075 5.224 -1.377 1.00 0.00 C ATOM 2138 CE LYS B 134 16.053 4.327 -0.698 1.00 0.00 C ATOM 2139 NZ LYS B 134 16.620 3.634 0.489 1.00 0.00 N1+ ATOM 0 H LYS B 134 16.007 8.550 -2.861 1.00 0.00 H new ATOM 0 HA LYS B 134 18.455 7.611 -1.635 1.00 0.00 H new ATOM 0 HB2 LYS B 134 17.179 7.003 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS B 134 18.452 6.083 -3.550 1.00 0.00 H new ATOM 0 HG2 LYS B 134 15.652 6.453 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS B 134 16.182 5.050 -3.323 1.00 0.00 H new ATOM 0 HD2 LYS B 134 17.969 4.646 -1.610 1.00 0.00 H new ATOM 0 HD3 LYS B 134 17.377 6.016 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS B 134 15.193 4.924 -0.393 1.00 0.00 H new ATOM 0 HE3 LYS B 134 15.690 3.587 -1.411 1.00 0.00 H new ATOM 0 HZ1 LYS B 134 15.890 3.033 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS B 134 17.425 3.044 0.195 1.00 0.00 H new ATOM 0 HZ3 LYS B 134 16.943 4.340 1.182 1.00 0.00 H new ATOM 2153 N LYS B 135 19.882 9.404 -2.630 1.00 0.00 N ATOM 2154 CA LYS B 135 20.885 10.251 -3.245 1.00 0.00 C ATOM 2155 C LYS B 135 22.067 9.402 -3.693 1.00 0.00 C ATOM 2156 O LYS B 135 22.115 9.017 -4.881 1.00 0.00 O ATOM 2157 CB LYS B 135 21.358 11.330 -2.262 1.00 0.00 C ATOM 2158 CG LYS B 135 20.239 11.983 -1.465 1.00 0.00 C ATOM 2159 CD LYS B 135 19.177 12.582 -2.367 1.00 0.00 C ATOM 2160 CE LYS B 135 18.043 13.190 -1.560 1.00 0.00 C ATOM 2161 NZ LYS B 135 18.495 14.311 -0.695 1.00 0.00 N1+ ATOM 2162 OXT LYS B 135 22.929 9.097 -2.844 1.00 0.00 O ATOM 0 H LYS B 135 19.944 9.349 -1.613 1.00 0.00 H new ATOM 0 HA LYS B 135 20.444 10.744 -4.111 1.00 0.00 H new ATOM 0 HB2 LYS B 135 22.071 10.885 -1.568 1.00 0.00 H new ATOM 0 HB3 LYS B 135 21.892 12.102 -2.817 1.00 0.00 H new ATOM 0 HG2 LYS B 135 19.782 11.243 -0.808 1.00 0.00 H new ATOM 0 HG3 LYS B 135 20.655 12.763 -0.827 1.00 0.00 H new ATOM 0 HD2 LYS B 135 19.625 13.347 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS B 135 18.782 11.811 -3.029 1.00 0.00 H new ATOM 0 HE2 LYS B 135 17.270 13.549 -2.240 1.00 0.00 H new ATOM 0 HE3 LYS B 135 17.588 12.418 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS B 135 17.667 14.798 -0.297 1.00 0.00 H new ATOM 0 HZ2 LYS B 135 19.082 13.938 0.079 1.00 0.00 H new ATOM 0 HZ3 LYS B 135 19.053 14.982 -1.260 1.00 0.00 H new TER 2176 LYS B 135