USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1097 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 MET CE :methyl 147:sc= -0.814 (180deg=-1.03) USER MOD Set 1.2: A 95 MET CE :methyl -175:sc= -0.127 (180deg=-0.0201) USER MOD Set 2.1: A 40 TYR OH : rot 162:sc= 0.592 USER MOD Set 2.2: A 42 GLN : amide:sc= -0.374 X(o=0.22,f=-0.2) USER MOD Set 3.1: A 32 SER OG : rot 150:sc= 1.18 USER MOD Set 3.2: A 126 ASN : amide:sc= 1.08 K(o=2.3,f=-2.5) USER MOD Set 4.1: A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 137 ASN : amide:sc= 0.474 X(o=0.47,f=-0.01) USER MOD Single : A 3 SER OG : rot -90:sc= 1.23 USER MOD Single : A 4 TYR OH : rot 30:sc= -0.445 USER MOD Single : A 6 THR OG1 : rot 88:sc= 0.00656 USER MOD Single : A 10 THR OG1 : rot -54:sc= 1.5 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot -170:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0365 X(o=-0.036,f=-0.15) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 53 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.58) USER MOD Single : A 58 TYR OH : rot -114:sc= 0.298 USER MOD Single : A 59 CYS SG : rot 180:sc=-0.00341 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 110:sc= 0.533 USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 0.266 (180deg=0.262) USER MOD Single : A 72 HIS : no HE2:sc= -1.58! C(o=-1.6!,f=-4.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 170:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 81 MET CE :methyl -142:sc= 0 (180deg=-0.95) USER MOD Single : A 99 ASN : amide:sc= -0.596 K(o=-0.6,f=-0.031) USER MOD Single : A 102 ASN : amide:sc= 0.41 X(o=0.41,f=-0.038) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0332 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.556) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 115 ASN : amide:sc= -0.638 K(o=-0.64,f=-0.075) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 151:sc= 1.16 (180deg=0.225) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 SER OG : rot 37:sc= 0.0685 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 0.510 0.081 0.050 1.00 0.00 N ATOM 2 CA GLY A -1 -0.913 0.321 -0.298 1.00 0.00 C ATOM 3 C GLY A -1 -1.155 1.452 -1.285 1.00 0.00 C ATOM 4 O GLY A -1 -2.060 2.252 -1.062 1.00 0.00 O ATOM 0 H1 GLY A -1 0.574 -0.706 0.727 1.00 0.00 H new ATOM 0 H2 GLY A -1 1.042 -0.158 -0.811 1.00 0.00 H new ATOM 0 H3 GLY A -1 0.912 0.939 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -1.329 -0.597 -0.713 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -1.464 0.535 0.618 1.00 0.00 H new ATOM 8 N GLY A 0 -0.381 1.539 -2.376 1.00 0.00 N ATOM 9 CA GLY A 0 -0.465 2.603 -3.375 1.00 0.00 C ATOM 10 C GLY A 0 -0.208 3.996 -2.814 1.00 0.00 C ATOM 11 O GLY A 0 0.301 4.159 -1.703 1.00 0.00 O ATOM 0 H GLY A 0 0.340 0.850 -2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.256 2.402 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -1.455 2.582 -3.832 1.00 0.00 H new ATOM 15 N ALA A 1 -0.540 4.999 -3.623 1.00 0.00 N ATOM 16 CA ALA A 1 -0.526 6.404 -3.237 1.00 0.00 C ATOM 17 C ALA A 1 -1.434 7.267 -4.141 1.00 0.00 C ATOM 18 O ALA A 1 -1.971 6.804 -5.152 1.00 0.00 O ATOM 19 CB ALA A 1 0.932 6.844 -3.245 1.00 0.00 C ATOM 0 H ALA A 1 -0.833 4.852 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.945 6.540 -2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.997 7.894 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.498 6.241 -2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.346 6.712 -4.244 1.00 0.00 H new ATOM 25 N LEU A 2 -1.611 8.527 -3.746 1.00 0.00 N ATOM 26 CA LEU A 2 -2.527 9.510 -4.330 1.00 0.00 C ATOM 27 C LEU A 2 -1.732 10.743 -4.791 1.00 0.00 C ATOM 28 O LEU A 2 -0.711 11.086 -4.189 1.00 0.00 O ATOM 29 CB LEU A 2 -3.548 9.902 -3.245 1.00 0.00 C ATOM 30 CG LEU A 2 -4.436 8.746 -2.737 1.00 0.00 C ATOM 31 CD1 LEU A 2 -4.952 9.033 -1.332 1.00 0.00 C ATOM 32 CD2 LEU A 2 -5.636 8.501 -3.649 1.00 0.00 C ATOM 0 H LEU A 2 -1.087 8.914 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.044 9.095 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.010 10.326 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.192 10.688 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.807 7.856 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.575 8.204 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.109 9.151 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.542 9.949 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.232 7.679 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.247 9.403 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.287 8.246 -4.650 1.00 0.00 H new ATOM 44 N SER A 3 -2.166 11.393 -5.871 1.00 0.00 N ATOM 45 CA SER A 3 -1.457 12.550 -6.442 1.00 0.00 C ATOM 46 C SER A 3 -1.516 13.795 -5.540 1.00 0.00 C ATOM 47 O SER A 3 -2.346 13.866 -4.634 1.00 0.00 O ATOM 48 CB SER A 3 -2.039 12.847 -7.821 1.00 0.00 C ATOM 49 OG SER A 3 -1.074 13.506 -8.606 1.00 0.00 O ATOM 0 H SER A 3 -3.014 11.138 -6.376 1.00 0.00 H new ATOM 0 HA SER A 3 -0.401 12.295 -6.525 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.346 11.920 -8.305 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.930 13.467 -7.725 1.00 0.00 H new ATOM 0 HG SER A 3 -1.163 14.475 -8.489 1.00 0.00 H new ATOM 55 N TYR A 4 -0.668 14.807 -5.780 1.00 0.00 N ATOM 56 CA TYR A 4 -0.664 16.047 -4.987 1.00 0.00 C ATOM 57 C TYR A 4 -2.054 16.695 -4.910 1.00 0.00 C ATOM 58 O TYR A 4 -2.517 17.065 -3.831 1.00 0.00 O ATOM 59 CB TYR A 4 0.341 17.045 -5.579 1.00 0.00 C ATOM 60 CG TYR A 4 0.347 18.396 -4.879 1.00 0.00 C ATOM 61 CD1 TYR A 4 -0.556 19.400 -5.284 1.00 0.00 C ATOM 62 CD2 TYR A 4 1.220 18.637 -3.800 1.00 0.00 C ATOM 63 CE1 TYR A 4 -0.610 20.628 -4.598 1.00 0.00 C ATOM 64 CE2 TYR A 4 1.175 19.866 -3.113 1.00 0.00 C ATOM 65 CZ TYR A 4 0.255 20.861 -3.506 1.00 0.00 C ATOM 66 OH TYR A 4 0.203 22.048 -2.845 1.00 0.00 O ATOM 0 H TYR A 4 0.030 14.790 -6.524 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.370 15.780 -3.972 1.00 0.00 H new ATOM 0 HB2 TYR A 4 1.341 16.614 -5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.113 17.194 -6.634 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.210 19.226 -6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 4 1.926 17.877 -3.499 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.311 21.390 -4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 4 1.845 20.047 -2.285 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.708 22.407 -2.889 1.00 0.00 H new ATOM 76 N GLU A 5 -2.735 16.795 -6.055 1.00 0.00 N ATOM 77 CA GLU A 5 -4.062 17.398 -6.209 1.00 0.00 C ATOM 78 C GLU A 5 -5.193 16.686 -5.437 1.00 0.00 C ATOM 79 O GLU A 5 -6.298 17.224 -5.341 1.00 0.00 O ATOM 80 CB GLU A 5 -4.404 17.503 -7.709 1.00 0.00 C ATOM 81 CG GLU A 5 -4.435 16.164 -8.467 1.00 0.00 C ATOM 82 CD GLU A 5 -3.140 15.943 -9.270 1.00 0.00 C ATOM 83 OE1 GLU A 5 -2.055 15.895 -8.642 1.00 0.00 O ATOM 84 OE2 GLU A 5 -3.206 15.787 -10.514 1.00 0.00 O ATOM 0 H GLU A 5 -2.361 16.443 -6.937 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.001 18.388 -5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.377 17.983 -7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.674 18.157 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.570 15.346 -7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.291 16.146 -9.142 1.00 0.00 H new ATOM 91 N THR A 6 -4.946 15.492 -4.884 1.00 0.00 N ATOM 92 CA THR A 6 -5.913 14.757 -4.056 1.00 0.00 C ATOM 93 C THR A 6 -6.084 15.439 -2.693 1.00 0.00 C ATOM 94 O THR A 6 -5.175 15.424 -1.862 1.00 0.00 O ATOM 95 CB THR A 6 -5.461 13.302 -3.858 1.00 0.00 C ATOM 96 OG1 THR A 6 -5.240 12.676 -5.109 1.00 0.00 O ATOM 97 CG2 THR A 6 -6.514 12.470 -3.126 1.00 0.00 C ATOM 0 H THR A 6 -4.059 15.002 -5.000 1.00 0.00 H new ATOM 0 HA THR A 6 -6.872 14.760 -4.574 1.00 0.00 H new ATOM 0 HB THR A 6 -4.546 13.345 -3.268 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.316 12.834 -5.395 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.153 11.448 -3.008 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.703 12.904 -2.144 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.438 12.463 -3.704 1.00 0.00 H new ATOM 105 N GLU A 7 -7.255 16.032 -2.440 1.00 0.00 N ATOM 106 CA GLU A 7 -7.530 16.731 -1.176 1.00 0.00 C ATOM 107 C GLU A 7 -8.126 15.796 -0.111 1.00 0.00 C ATOM 108 O GLU A 7 -9.081 15.055 -0.369 1.00 0.00 O ATOM 109 CB GLU A 7 -8.467 17.930 -1.381 1.00 0.00 C ATOM 110 CG GLU A 7 -8.005 18.874 -2.501 1.00 0.00 C ATOM 111 CD GLU A 7 -8.779 20.208 -2.501 1.00 0.00 C ATOM 112 OE1 GLU A 7 -10.032 20.197 -2.400 1.00 0.00 O ATOM 113 OE2 GLU A 7 -8.141 21.279 -2.639 1.00 0.00 O ATOM 0 H GLU A 7 -8.034 16.043 -3.098 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.565 17.091 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.468 17.565 -1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.539 18.490 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.940 19.075 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.135 18.381 -3.465 1.00 0.00 H new ATOM 120 N ILE A 8 -7.592 15.889 1.108 1.00 0.00 N ATOM 121 CA ILE A 8 -8.014 15.138 2.293 1.00 0.00 C ATOM 122 C ILE A 8 -8.742 16.102 3.233 1.00 0.00 C ATOM 123 O ILE A 8 -8.192 17.143 3.601 1.00 0.00 O ATOM 124 CB ILE A 8 -6.788 14.513 3.006 1.00 0.00 C ATOM 125 CG1 ILE A 8 -5.852 13.724 2.068 1.00 0.00 C ATOM 126 CG2 ILE A 8 -7.224 13.619 4.182 1.00 0.00 C ATOM 127 CD1 ILE A 8 -6.527 12.660 1.196 1.00 0.00 C ATOM 0 H ILE A 8 -6.816 16.521 1.306 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.678 14.325 2.001 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.213 15.360 3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.341 14.432 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.086 13.239 2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.343 13.195 4.663 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.780 14.215 4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.858 12.814 3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.777 12.168 0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.013 11.922 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.272 13.133 0.556 1.00 0.00 H new ATOM 139 N LEU A 9 -9.980 15.776 3.611 1.00 0.00 N ATOM 140 CA LEU A 9 -10.699 16.492 4.671 1.00 0.00 C ATOM 141 C LEU A 9 -9.992 16.314 6.029 1.00 0.00 C ATOM 142 O LEU A 9 -9.691 15.190 6.440 1.00 0.00 O ATOM 143 CB LEU A 9 -12.155 15.987 4.717 1.00 0.00 C ATOM 144 CG LEU A 9 -13.081 16.821 5.626 1.00 0.00 C ATOM 145 CD1 LEU A 9 -13.463 18.163 4.997 1.00 0.00 C ATOM 146 CD2 LEU A 9 -14.374 16.055 5.904 1.00 0.00 C ATOM 0 H LEU A 9 -10.512 15.012 3.194 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.704 17.560 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.561 15.987 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.159 14.953 5.062 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.525 17.006 6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.115 18.711 5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.562 18.747 4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.984 17.988 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.020 16.653 6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.886 15.851 4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.140 15.113 6.401 1.00 0.00 H new ATOM 158 N THR A 10 -9.769 17.420 6.746 1.00 0.00 N ATOM 159 CA THR A 10 -9.090 17.448 8.053 1.00 0.00 C ATOM 160 C THR A 10 -9.821 18.327 9.070 1.00 0.00 C ATOM 161 O THR A 10 -10.482 19.299 8.704 1.00 0.00 O ATOM 162 CB THR A 10 -7.625 17.914 7.941 1.00 0.00 C ATOM 163 OG1 THR A 10 -7.541 19.225 7.427 1.00 0.00 O ATOM 164 CG2 THR A 10 -6.759 17.005 7.070 1.00 0.00 C ATOM 0 H THR A 10 -10.061 18.345 6.429 1.00 0.00 H new ATOM 0 HA THR A 10 -9.104 16.417 8.408 1.00 0.00 H new ATOM 0 HB THR A 10 -7.241 17.876 8.961 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.031 19.276 6.580 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.741 17.394 7.037 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.749 16.000 7.491 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.168 16.972 6.060 1.00 0.00 H new ATOM 172 N VAL A 11 -9.705 17.989 10.361 1.00 0.00 N ATOM 173 CA VAL A 11 -10.352 18.750 11.455 1.00 0.00 C ATOM 174 C VAL A 11 -9.593 20.044 11.776 1.00 0.00 C ATOM 175 O VAL A 11 -10.198 21.058 12.127 1.00 0.00 O ATOM 176 CB VAL A 11 -10.498 17.895 12.732 1.00 0.00 C ATOM 177 CG1 VAL A 11 -11.295 18.600 13.838 1.00 0.00 C ATOM 178 CG2 VAL A 11 -11.215 16.565 12.459 1.00 0.00 C ATOM 0 H VAL A 11 -9.165 17.186 10.683 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.348 19.017 11.101 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.472 17.726 13.059 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.363 17.948 14.709 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.791 19.526 14.116 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.298 18.827 13.476 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.295 15.998 13.386 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.213 16.763 12.068 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.647 15.989 11.729 1.00 0.00 H new ATOM 188 N GLU A 12 -8.265 20.027 11.624 1.00 0.00 N ATOM 189 CA GLU A 12 -7.398 21.181 11.914 1.00 0.00 C ATOM 190 C GLU A 12 -7.577 22.354 10.935 1.00 0.00 C ATOM 191 O GLU A 12 -7.424 23.508 11.345 1.00 0.00 O ATOM 192 CB GLU A 12 -5.929 20.729 11.903 1.00 0.00 C ATOM 193 CG GLU A 12 -5.446 20.212 13.265 1.00 0.00 C ATOM 194 CD GLU A 12 -5.444 21.319 14.341 1.00 0.00 C ATOM 195 OE1 GLU A 12 -4.593 22.240 14.280 1.00 0.00 O ATOM 196 OE2 GLU A 12 -6.295 21.275 15.265 1.00 0.00 O ATOM 0 H GLU A 12 -7.755 19.208 11.294 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.691 21.550 12.897 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.803 19.944 11.158 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.301 21.565 11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.088 19.393 13.590 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.440 19.806 13.162 1.00 0.00 H new ATOM 203 N TYR A 13 -7.922 22.079 9.669 1.00 0.00 N ATOM 204 CA TYR A 13 -8.034 23.107 8.621 1.00 0.00 C ATOM 205 C TYR A 13 -9.226 22.903 7.675 1.00 0.00 C ATOM 206 O TYR A 13 -9.987 23.848 7.445 1.00 0.00 O ATOM 207 CB TYR A 13 -6.735 23.143 7.794 1.00 0.00 C ATOM 208 CG TYR A 13 -5.497 23.668 8.504 1.00 0.00 C ATOM 209 CD1 TYR A 13 -5.500 24.962 9.063 1.00 0.00 C ATOM 210 CD2 TYR A 13 -4.320 22.892 8.549 1.00 0.00 C ATOM 211 CE1 TYR A 13 -4.338 25.475 9.672 1.00 0.00 C ATOM 212 CE2 TYR A 13 -3.151 23.407 9.145 1.00 0.00 C ATOM 213 CZ TYR A 13 -3.159 24.702 9.710 1.00 0.00 C ATOM 214 OH TYR A 13 -2.033 25.215 10.277 1.00 0.00 O ATOM 0 H TYR A 13 -8.132 21.136 9.341 1.00 0.00 H new ATOM 0 HA TYR A 13 -8.201 24.052 9.137 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.525 22.133 7.443 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.909 23.758 6.911 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.397 25.563 9.024 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.314 21.899 8.125 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.350 26.462 10.111 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.250 22.812 9.170 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.310 24.556 10.223 1.00 0.00 H new ATOM 224 N GLY A 14 -9.392 21.702 7.112 1.00 0.00 N ATOM 225 CA GLY A 14 -10.388 21.410 6.076 1.00 0.00 C ATOM 226 C GLY A 14 -9.801 20.587 4.930 1.00 0.00 C ATOM 227 O GLY A 14 -8.900 19.774 5.134 1.00 0.00 O ATOM 0 H GLY A 14 -8.828 20.891 7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.224 20.869 6.519 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.787 22.345 5.683 1.00 0.00 H new ATOM 231 N LEU A 15 -10.334 20.784 3.725 1.00 0.00 N ATOM 232 CA LEU A 15 -9.854 20.171 2.482 1.00 0.00 C ATOM 233 C LEU A 15 -8.465 20.719 2.089 1.00 0.00 C ATOM 234 O LEU A 15 -8.356 21.866 1.643 1.00 0.00 O ATOM 235 CB LEU A 15 -10.890 20.452 1.374 1.00 0.00 C ATOM 236 CG LEU A 15 -12.294 19.875 1.634 1.00 0.00 C ATOM 237 CD1 LEU A 15 -13.254 20.307 0.528 1.00 0.00 C ATOM 238 CD2 LEU A 15 -12.264 18.351 1.682 1.00 0.00 C ATOM 0 H LEU A 15 -11.138 21.394 3.580 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.742 19.096 2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.976 21.531 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.515 20.045 0.435 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.632 20.257 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.243 19.893 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.314 21.395 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.890 19.942 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.269 17.973 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.900 17.964 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.601 18.025 2.483 1.00 0.00 H new ATOM 250 N LEU A 16 -7.408 19.907 2.230 1.00 0.00 N ATOM 251 CA LEU A 16 -6.028 20.250 1.844 1.00 0.00 C ATOM 252 C LEU A 16 -5.336 19.127 1.041 1.00 0.00 C ATOM 253 O LEU A 16 -5.626 17.950 1.269 1.00 0.00 O ATOM 254 CB LEU A 16 -5.208 20.570 3.110 1.00 0.00 C ATOM 255 CG LEU A 16 -5.523 21.923 3.773 1.00 0.00 C ATOM 256 CD1 LEU A 16 -4.658 22.063 5.023 1.00 0.00 C ATOM 257 CD2 LEU A 16 -5.217 23.112 2.860 1.00 0.00 C ATOM 0 H LEU A 16 -7.489 18.970 2.625 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.078 21.122 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.375 19.778 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.149 20.548 2.852 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.589 21.934 4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.868 23.017 5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.882 21.250 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.605 22.022 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.458 24.040 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.159 23.107 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.816 23.037 1.952 1.00 0.00 H new ATOM 269 N PRO A 17 -4.412 19.459 0.115 1.00 0.00 N ATOM 270 CA PRO A 17 -3.733 18.488 -0.749 1.00 0.00 C ATOM 271 C PRO A 17 -2.815 17.545 0.042 1.00 0.00 C ATOM 272 O PRO A 17 -1.917 18.000 0.756 1.00 0.00 O ATOM 273 CB PRO A 17 -2.946 19.327 -1.766 1.00 0.00 C ATOM 274 CG PRO A 17 -2.728 20.664 -1.069 1.00 0.00 C ATOM 275 CD PRO A 17 -3.972 20.814 -0.202 1.00 0.00 C ATOM 0 HA PRO A 17 -4.450 17.829 -1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.998 18.854 -2.022 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.503 19.450 -2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.818 20.661 -0.469 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.636 21.481 -1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.748 21.373 0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.751 21.363 -0.731 1.00 0.00 H new ATOM 283 N ILE A 18 -2.988 16.226 -0.123 1.00 0.00 N ATOM 284 CA ILE A 18 -2.175 15.195 0.552 1.00 0.00 C ATOM 285 C ILE A 18 -0.672 15.383 0.319 1.00 0.00 C ATOM 286 O ILE A 18 0.128 15.175 1.232 1.00 0.00 O ATOM 287 CB ILE A 18 -2.618 13.765 0.154 1.00 0.00 C ATOM 288 CG1 ILE A 18 -1.998 12.733 1.125 1.00 0.00 C ATOM 289 CG2 ILE A 18 -2.304 13.429 -1.313 1.00 0.00 C ATOM 290 CD1 ILE A 18 -2.524 11.306 0.948 1.00 0.00 C ATOM 0 H ILE A 18 -3.704 15.837 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.353 15.321 1.620 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.704 13.719 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.916 12.728 0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.190 13.054 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.637 12.415 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.822 14.131 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.230 13.503 -1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.038 10.647 1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.601 11.292 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.308 10.961 -0.063 1.00 0.00 H new ATOM 302 N GLY A 19 -0.281 15.840 -0.875 1.00 0.00 N ATOM 303 CA GLY A 19 1.123 16.043 -1.204 1.00 0.00 C ATOM 304 C GLY A 19 1.779 17.112 -0.338 1.00 0.00 C ATOM 305 O GLY A 19 2.904 16.912 0.106 1.00 0.00 O ATOM 0 H GLY A 19 -0.925 16.076 -1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.660 15.102 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.209 16.327 -2.253 1.00 0.00 H new ATOM 309 N LYS A 20 1.065 18.188 0.019 1.00 0.00 N ATOM 310 CA LYS A 20 1.602 19.215 0.924 1.00 0.00 C ATOM 311 C LYS A 20 1.731 18.691 2.355 1.00 0.00 C ATOM 312 O LYS A 20 2.693 19.020 3.042 1.00 0.00 O ATOM 313 CB LYS A 20 0.731 20.478 0.840 1.00 0.00 C ATOM 314 CG LYS A 20 1.334 21.652 1.629 1.00 0.00 C ATOM 315 CD LYS A 20 0.644 22.988 1.315 1.00 0.00 C ATOM 316 CE LYS A 20 1.145 23.556 -0.019 1.00 0.00 C ATOM 317 NZ LYS A 20 0.387 24.770 -0.427 1.00 0.00 N ATOM 0 H LYS A 20 0.115 18.370 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 20 2.612 19.476 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.612 20.767 -0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.265 20.257 1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.254 21.447 2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.396 21.733 1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.436 22.844 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.839 23.701 2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.204 23.801 0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.055 22.795 -0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.757 25.122 -1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.620 24.531 -0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.493 25.506 0.300 1.00 0.00 H new ATOM 331 N ILE A 21 0.815 17.821 2.787 1.00 0.00 N ATOM 332 CA ILE A 21 0.839 17.209 4.125 1.00 0.00 C ATOM 333 C ILE A 21 2.085 16.336 4.282 1.00 0.00 C ATOM 334 O ILE A 21 2.694 16.343 5.345 1.00 0.00 O ATOM 335 CB ILE A 21 -0.457 16.412 4.408 1.00 0.00 C ATOM 336 CG1 ILE A 21 -1.714 17.300 4.233 1.00 0.00 C ATOM 337 CG2 ILE A 21 -0.476 15.776 5.808 1.00 0.00 C ATOM 338 CD1 ILE A 21 -3.035 16.520 4.171 1.00 0.00 C ATOM 0 H ILE A 21 0.027 17.516 2.215 1.00 0.00 H new ATOM 0 HA ILE A 21 0.886 18.006 4.867 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.473 15.606 3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.762 18.008 5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.607 17.884 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.410 15.231 5.947 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.364 15.088 5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.396 16.557 6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.864 17.217 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.012 15.831 3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.169 15.957 5.095 1.00 0.00 H new ATOM 350 N VAL A 22 2.514 15.644 3.224 1.00 0.00 N ATOM 351 CA VAL A 22 3.690 14.761 3.245 1.00 0.00 C ATOM 352 C VAL A 22 4.993 15.494 2.891 1.00 0.00 C ATOM 353 O VAL A 22 6.017 15.251 3.529 1.00 0.00 O ATOM 354 CB VAL A 22 3.440 13.557 2.321 1.00 0.00 C ATOM 355 CG1 VAL A 22 4.624 12.590 2.293 1.00 0.00 C ATOM 356 CG2 VAL A 22 2.208 12.772 2.804 1.00 0.00 C ATOM 0 H VAL A 22 2.051 15.679 2.316 1.00 0.00 H new ATOM 0 HA VAL A 22 3.828 14.405 4.266 1.00 0.00 H new ATOM 0 HB VAL A 22 3.288 13.959 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.398 11.757 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.511 13.112 1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.808 12.211 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.037 11.921 2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.379 12.416 3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.334 13.423 2.790 1.00 0.00 H new ATOM 366 N GLU A 23 4.984 16.438 1.942 1.00 0.00 N ATOM 367 CA GLU A 23 6.169 17.248 1.593 1.00 0.00 C ATOM 368 C GLU A 23 6.578 18.227 2.707 1.00 0.00 C ATOM 369 O GLU A 23 7.759 18.571 2.822 1.00 0.00 O ATOM 370 CB GLU A 23 5.951 18.050 0.297 1.00 0.00 C ATOM 371 CG GLU A 23 5.984 17.192 -0.974 1.00 0.00 C ATOM 372 CD GLU A 23 6.007 18.091 -2.226 1.00 0.00 C ATOM 373 OE1 GLU A 23 4.963 18.691 -2.583 1.00 0.00 O ATOM 374 OE2 GLU A 23 7.091 18.239 -2.845 1.00 0.00 O ATOM 0 H GLU A 23 4.156 16.666 1.391 1.00 0.00 H new ATOM 0 HA GLU A 23 6.973 16.526 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.990 18.561 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.718 18.821 0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.864 16.549 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.112 16.539 -1.003 1.00 0.00 H new ATOM 381 N LYS A 24 5.619 18.646 3.548 1.00 0.00 N ATOM 382 CA LYS A 24 5.822 19.594 4.662 1.00 0.00 C ATOM 383 C LYS A 24 5.598 18.951 6.044 1.00 0.00 C ATOM 384 O LYS A 24 5.716 19.634 7.064 1.00 0.00 O ATOM 385 CB LYS A 24 4.931 20.840 4.474 1.00 0.00 C ATOM 386 CG LYS A 24 4.976 21.521 3.096 1.00 0.00 C ATOM 387 CD LYS A 24 6.341 22.133 2.754 1.00 0.00 C ATOM 388 CE LYS A 24 6.208 22.997 1.492 1.00 0.00 C ATOM 389 NZ LYS A 24 7.491 23.663 1.142 1.00 0.00 N ATOM 0 H LYS A 24 4.653 18.327 3.472 1.00 0.00 H new ATOM 0 HA LYS A 24 6.868 19.900 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.899 20.554 4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.213 21.576 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.713 20.790 2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.218 22.304 3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.700 22.738 3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.076 21.344 2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.882 22.375 0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.437 23.752 1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.361 24.237 0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.790 24.276 1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.220 22.942 0.969 1.00 0.00 H new ATOM 403 N ARG A 25 5.310 17.639 6.078 1.00 0.00 N ATOM 404 CA ARG A 25 5.072 16.798 7.274 1.00 0.00 C ATOM 405 C ARG A 25 4.068 17.419 8.259 1.00 0.00 C ATOM 406 O ARG A 25 4.335 17.537 9.459 1.00 0.00 O ATOM 407 CB ARG A 25 6.412 16.363 7.906 1.00 0.00 C ATOM 408 CG ARG A 25 7.353 15.680 6.891 1.00 0.00 C ATOM 409 CD ARG A 25 8.520 16.575 6.442 1.00 0.00 C ATOM 410 NE ARG A 25 9.631 16.571 7.419 1.00 0.00 N ATOM 411 CZ ARG A 25 10.610 15.683 7.507 1.00 0.00 C ATOM 412 NH1 ARG A 25 10.700 14.657 6.704 1.00 0.00 N ATOM 413 NH2 ARG A 25 11.531 15.803 8.421 1.00 0.00 N ATOM 0 H ARG A 25 5.231 17.098 5.217 1.00 0.00 H new ATOM 0 HA ARG A 25 4.574 15.883 6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.911 17.236 8.328 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.215 15.678 8.731 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.754 14.769 7.335 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.776 15.382 6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.887 16.233 5.474 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.162 17.595 6.305 1.00 0.00 H new ATOM 0 HE ARG A 25 9.645 17.333 8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.000 14.517 5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.470 13.996 6.805 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.501 16.585 9.075 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.282 15.115 8.482 1.00 0.00 H new ATOM 427 N ILE A 26 2.931 17.884 7.729 1.00 0.00 N ATOM 428 CA ILE A 26 1.892 18.606 8.481 1.00 0.00 C ATOM 429 C ILE A 26 1.126 17.619 9.369 1.00 0.00 C ATOM 430 O ILE A 26 0.636 16.592 8.897 1.00 0.00 O ATOM 431 CB ILE A 26 0.929 19.364 7.531 1.00 0.00 C ATOM 432 CG1 ILE A 26 1.713 20.378 6.667 1.00 0.00 C ATOM 433 CG2 ILE A 26 -0.177 20.087 8.325 1.00 0.00 C ATOM 434 CD1 ILE A 26 0.915 21.007 5.517 1.00 0.00 C ATOM 0 H ILE A 26 2.700 17.767 6.742 1.00 0.00 H new ATOM 0 HA ILE A 26 2.373 19.354 9.112 1.00 0.00 H new ATOM 0 HB ILE A 26 0.456 18.632 6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.079 21.176 7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.587 19.878 6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.838 20.610 7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.752 19.357 8.895 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.276 20.805 9.008 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.551 21.703 4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.571 20.224 4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.055 21.542 5.921 1.00 0.00 H new ATOM 446 N GLU A 27 0.984 17.945 10.653 1.00 0.00 N ATOM 447 CA GLU A 27 0.169 17.183 11.598 1.00 0.00 C ATOM 448 C GLU A 27 -1.255 17.740 11.676 1.00 0.00 C ATOM 449 O GLU A 27 -1.495 18.948 11.759 1.00 0.00 O ATOM 450 CB GLU A 27 0.839 17.047 12.978 1.00 0.00 C ATOM 451 CG GLU A 27 1.707 18.218 13.453 1.00 0.00 C ATOM 452 CD GLU A 27 0.920 19.513 13.728 1.00 0.00 C ATOM 453 OE1 GLU A 27 0.111 19.545 14.690 1.00 0.00 O ATOM 454 OE2 GLU A 27 1.159 20.528 13.027 1.00 0.00 O ATOM 0 H GLU A 27 1.438 18.757 11.072 1.00 0.00 H new ATOM 0 HA GLU A 27 0.089 16.166 11.214 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.056 16.884 13.719 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.458 16.150 12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.230 17.923 14.363 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.468 18.421 12.700 1.00 0.00 H new ATOM 461 N CYS A 28 -2.204 16.813 11.601 1.00 0.00 N ATOM 462 CA CYS A 28 -3.642 17.075 11.551 1.00 0.00 C ATOM 463 C CYS A 28 -4.459 15.835 11.950 1.00 0.00 C ATOM 464 O CYS A 28 -3.920 14.745 12.167 1.00 0.00 O ATOM 465 CB CYS A 28 -4.013 17.578 10.138 1.00 0.00 C ATOM 466 SG CYS A 28 -3.531 16.390 8.845 1.00 0.00 S ATOM 0 H CYS A 28 -1.986 15.817 11.572 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.890 17.848 12.278 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.087 17.755 10.086 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.523 18.534 9.953 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.669 16.941 7.676 1.00 0.00 H new ATOM 472 N THR A 29 -5.778 16.013 12.025 1.00 0.00 N ATOM 473 CA THR A 29 -6.771 14.951 12.252 1.00 0.00 C ATOM 474 C THR A 29 -7.520 14.675 10.944 1.00 0.00 C ATOM 475 O THR A 29 -7.775 15.610 10.188 1.00 0.00 O ATOM 476 CB THR A 29 -7.789 15.377 13.329 1.00 0.00 C ATOM 477 OG1 THR A 29 -7.276 16.322 14.246 1.00 0.00 O ATOM 478 CG2 THR A 29 -8.325 14.217 14.156 1.00 0.00 C ATOM 0 H THR A 29 -6.205 16.934 11.926 1.00 0.00 H new ATOM 0 HA THR A 29 -6.251 14.055 12.591 1.00 0.00 H new ATOM 0 HB THR A 29 -8.591 15.819 12.739 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.968 16.552 14.900 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.035 14.593 14.893 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.825 13.504 13.501 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.499 13.723 14.668 1.00 0.00 H new ATOM 486 N VAL A 30 -7.930 13.429 10.701 1.00 0.00 N ATOM 487 CA VAL A 30 -8.620 12.949 9.482 1.00 0.00 C ATOM 488 C VAL A 30 -9.933 12.253 9.857 1.00 0.00 C ATOM 489 O VAL A 30 -10.175 12.011 11.039 1.00 0.00 O ATOM 490 CB VAL A 30 -7.726 12.004 8.638 1.00 0.00 C ATOM 491 CG1 VAL A 30 -6.345 12.607 8.355 1.00 0.00 C ATOM 492 CG2 VAL A 30 -7.525 10.616 9.264 1.00 0.00 C ATOM 0 H VAL A 30 -7.787 12.681 11.379 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.839 13.820 8.865 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.279 11.884 7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.757 11.907 7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.461 13.541 7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.833 12.802 9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.889 10.013 8.616 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.051 10.722 10.240 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.492 10.126 9.381 1.00 0.00 H new ATOM 502 N TYR A 31 -10.754 11.884 8.869 1.00 0.00 N ATOM 503 CA TYR A 31 -12.079 11.271 9.058 1.00 0.00 C ATOM 504 C TYR A 31 -12.095 9.827 8.531 1.00 0.00 C ATOM 505 O TYR A 31 -11.519 9.547 7.479 1.00 0.00 O ATOM 506 CB TYR A 31 -13.136 12.109 8.323 1.00 0.00 C ATOM 507 CG TYR A 31 -13.381 13.494 8.894 1.00 0.00 C ATOM 508 CD1 TYR A 31 -12.482 14.545 8.621 1.00 0.00 C ATOM 509 CD2 TYR A 31 -14.533 13.741 9.665 1.00 0.00 C ATOM 510 CE1 TYR A 31 -12.737 15.839 9.114 1.00 0.00 C ATOM 511 CE2 TYR A 31 -14.799 15.037 10.149 1.00 0.00 C ATOM 512 CZ TYR A 31 -13.903 16.092 9.866 1.00 0.00 C ATOM 513 OH TYR A 31 -14.160 17.353 10.307 1.00 0.00 O ATOM 0 H TYR A 31 -10.511 12.006 7.886 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.305 11.246 10.124 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -12.833 12.212 7.281 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.078 11.561 8.328 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.596 14.357 8.033 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.215 12.934 9.886 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.039 16.639 8.916 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.686 15.224 10.735 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.002 17.359 10.808 1.00 0.00 H new ATOM 523 N SER A 32 -12.755 8.913 9.248 1.00 0.00 N ATOM 524 CA SER A 32 -12.800 7.471 8.941 1.00 0.00 C ATOM 525 C SER A 32 -13.966 6.776 9.662 1.00 0.00 C ATOM 526 O SER A 32 -14.346 7.209 10.747 1.00 0.00 O ATOM 527 CB SER A 32 -11.476 6.846 9.403 1.00 0.00 C ATOM 528 OG SER A 32 -11.540 5.439 9.382 1.00 0.00 O ATOM 0 H SER A 32 -13.289 9.157 10.082 1.00 0.00 H new ATOM 0 HA SER A 32 -12.947 7.341 7.869 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.666 7.185 8.757 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.243 7.187 10.412 1.00 0.00 H new ATOM 0 HG SER A 32 -10.648 5.074 9.205 1.00 0.00 H new ATOM 534 N VAL A 33 -14.539 5.702 9.096 1.00 0.00 N ATOM 535 CA VAL A 33 -15.526 4.863 9.812 1.00 0.00 C ATOM 536 C VAL A 33 -14.885 3.788 10.692 1.00 0.00 C ATOM 537 O VAL A 33 -13.882 3.167 10.328 1.00 0.00 O ATOM 538 CB VAL A 33 -16.555 4.173 8.901 1.00 0.00 C ATOM 539 CG1 VAL A 33 -17.545 5.188 8.339 1.00 0.00 C ATOM 540 CG2 VAL A 33 -15.934 3.359 7.768 1.00 0.00 C ATOM 0 H VAL A 33 -14.339 5.390 8.146 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.045 5.591 10.436 1.00 0.00 H new ATOM 0 HB VAL A 33 -17.079 3.459 9.537 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -18.264 4.678 7.697 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -18.072 5.675 9.159 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -17.007 5.937 7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -16.725 2.904 7.171 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -15.333 4.014 7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.300 2.577 8.187 1.00 0.00 H new ATOM 550 N ASP A 34 -15.519 3.519 11.835 1.00 0.00 N ATOM 551 CA ASP A 34 -15.176 2.393 12.715 1.00 0.00 C ATOM 552 C ASP A 34 -15.772 1.056 12.224 1.00 0.00 C ATOM 553 O ASP A 34 -16.484 1.000 11.217 1.00 0.00 O ATOM 554 CB ASP A 34 -15.616 2.712 14.157 1.00 0.00 C ATOM 555 CG ASP A 34 -14.716 2.003 15.180 1.00 0.00 C ATOM 556 OD1 ASP A 34 -13.511 2.336 15.265 1.00 0.00 O ATOM 557 OD2 ASP A 34 -15.200 1.071 15.863 1.00 0.00 O ATOM 0 H ASP A 34 -16.295 4.082 12.182 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.094 2.265 12.692 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.580 3.789 14.321 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.651 2.402 14.302 1.00 0.00 H new ATOM 562 N ASN A 35 -15.541 -0.021 12.981 1.00 0.00 N ATOM 563 CA ASN A 35 -16.124 -1.354 12.765 1.00 0.00 C ATOM 564 C ASN A 35 -17.671 -1.358 12.718 1.00 0.00 C ATOM 565 O ASN A 35 -18.272 -2.263 12.135 1.00 0.00 O ATOM 566 CB ASN A 35 -15.612 -2.293 13.875 1.00 0.00 C ATOM 567 CG ASN A 35 -14.124 -2.585 13.762 1.00 0.00 C ATOM 568 OD1 ASN A 35 -13.669 -3.265 12.850 1.00 0.00 O ATOM 569 ND2 ASN A 35 -13.316 -2.094 14.676 1.00 0.00 N ATOM 0 H ASN A 35 -14.921 0.010 13.791 1.00 0.00 H new ATOM 0 HA ASN A 35 -15.805 -1.700 11.782 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.816 -1.844 14.847 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -16.166 -3.231 13.835 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.314 -2.280 14.624 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.691 -1.527 15.437 1.00 0.00 H new ATOM 576 N ASN A 36 -18.314 -0.342 13.310 1.00 0.00 N ATOM 577 CA ASN A 36 -19.772 -0.165 13.341 1.00 0.00 C ATOM 578 C ASN A 36 -20.320 0.693 12.175 1.00 0.00 C ATOM 579 O ASN A 36 -21.538 0.779 12.001 1.00 0.00 O ATOM 580 CB ASN A 36 -20.152 0.490 14.683 1.00 0.00 C ATOM 581 CG ASN A 36 -19.571 -0.215 15.900 1.00 0.00 C ATOM 582 OD1 ASN A 36 -19.813 -1.389 16.152 1.00 0.00 O ATOM 583 ND2 ASN A 36 -18.776 0.475 16.689 1.00 0.00 N ATOM 0 H ASN A 36 -17.817 0.404 13.797 1.00 0.00 H new ATOM 0 HA ASN A 36 -20.222 -1.152 13.230 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -19.813 1.526 14.679 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -21.238 0.510 14.771 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -18.362 0.032 17.509 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -18.574 1.453 16.480 1.00 0.00 H new ATOM 590 N GLY A 37 -19.449 1.358 11.401 1.00 0.00 N ATOM 591 CA GLY A 37 -19.833 2.303 10.337 1.00 0.00 C ATOM 592 C GLY A 37 -19.967 3.770 10.789 1.00 0.00 C ATOM 593 O GLY A 37 -20.545 4.581 10.063 1.00 0.00 O ATOM 0 H GLY A 37 -18.439 1.253 11.497 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -19.092 2.250 9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.783 1.981 9.911 1.00 0.00 H new ATOM 597 N ASN A 38 -19.464 4.122 11.979 1.00 0.00 N ATOM 598 CA ASN A 38 -19.554 5.471 12.559 1.00 0.00 C ATOM 599 C ASN A 38 -18.355 6.319 12.115 1.00 0.00 C ATOM 600 O ASN A 38 -17.220 5.960 12.433 1.00 0.00 O ATOM 601 CB ASN A 38 -19.555 5.379 14.100 1.00 0.00 C ATOM 602 CG ASN A 38 -20.676 4.546 14.697 1.00 0.00 C ATOM 603 OD1 ASN A 38 -21.748 4.367 14.135 1.00 0.00 O ATOM 604 ND2 ASN A 38 -20.451 4.000 15.872 1.00 0.00 N ATOM 0 H ASN A 38 -18.971 3.462 12.581 1.00 0.00 H new ATOM 0 HA ASN A 38 -20.478 5.936 12.214 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -18.602 4.962 14.424 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -19.616 6.388 14.508 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.170 3.428 16.314 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -19.557 4.149 16.341 1.00 0.00 H new ATOM 611 N ILE A 39 -18.580 7.431 11.406 1.00 0.00 N ATOM 612 CA ILE A 39 -17.518 8.368 11.006 1.00 0.00 C ATOM 613 C ILE A 39 -16.950 9.062 12.259 1.00 0.00 C ATOM 614 O ILE A 39 -17.578 9.962 12.826 1.00 0.00 O ATOM 615 CB ILE A 39 -18.009 9.383 9.945 1.00 0.00 C ATOM 616 CG1 ILE A 39 -18.623 8.659 8.722 1.00 0.00 C ATOM 617 CG2 ILE A 39 -16.831 10.263 9.482 1.00 0.00 C ATOM 618 CD1 ILE A 39 -19.174 9.598 7.648 1.00 0.00 C ATOM 0 H ILE A 39 -19.509 7.710 11.091 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.716 7.806 10.528 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.780 10.005 10.401 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.863 8.019 8.274 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -19.426 8.007 9.066 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.181 10.976 8.735 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.423 10.803 10.336 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.055 9.633 9.047 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.585 9.010 6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -19.959 10.221 8.077 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.371 10.233 7.273 1.00 0.00 H new ATOM 630 N TYR A 40 -15.764 8.633 12.683 1.00 0.00 N ATOM 631 CA TYR A 40 -14.964 9.228 13.755 1.00 0.00 C ATOM 632 C TYR A 40 -13.790 10.045 13.186 1.00 0.00 C ATOM 633 O TYR A 40 -13.588 10.111 11.967 1.00 0.00 O ATOM 634 CB TYR A 40 -14.492 8.119 14.719 1.00 0.00 C ATOM 635 CG TYR A 40 -13.413 7.172 14.200 1.00 0.00 C ATOM 636 CD1 TYR A 40 -12.050 7.481 14.384 1.00 0.00 C ATOM 637 CD2 TYR A 40 -13.764 5.951 13.590 1.00 0.00 C ATOM 638 CE1 TYR A 40 -11.056 6.585 13.946 1.00 0.00 C ATOM 639 CE2 TYR A 40 -12.764 5.056 13.157 1.00 0.00 C ATOM 640 CZ TYR A 40 -11.405 5.371 13.331 1.00 0.00 C ATOM 641 OH TYR A 40 -10.420 4.508 12.964 1.00 0.00 O ATOM 0 H TYR A 40 -15.310 7.819 12.268 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.580 9.929 14.318 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.120 8.593 15.627 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.360 7.523 15.003 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.767 8.407 14.862 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.805 5.699 13.453 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -10.014 6.834 14.084 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.044 4.124 12.689 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.802 3.616 12.825 1.00 0.00 H new ATOM 651 N THR A 41 -12.999 10.663 14.070 1.00 0.00 N ATOM 652 CA THR A 41 -11.800 11.438 13.706 1.00 0.00 C ATOM 653 C THR A 41 -10.557 10.999 14.482 1.00 0.00 C ATOM 654 O THR A 41 -10.634 10.726 15.683 1.00 0.00 O ATOM 655 CB THR A 41 -12.019 12.952 13.879 1.00 0.00 C ATOM 656 OG1 THR A 41 -12.593 13.270 15.134 1.00 0.00 O ATOM 657 CG2 THR A 41 -12.928 13.516 12.789 1.00 0.00 C ATOM 0 H THR A 41 -13.174 10.641 15.075 1.00 0.00 H new ATOM 0 HA THR A 41 -11.625 11.230 12.650 1.00 0.00 H new ATOM 0 HB THR A 41 -11.028 13.402 13.810 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.713 14.240 15.202 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.060 14.587 12.943 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.476 13.343 11.812 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.898 13.021 12.832 1.00 0.00 H new ATOM 665 N GLN A 42 -9.406 10.947 13.801 1.00 0.00 N ATOM 666 CA GLN A 42 -8.131 10.442 14.344 1.00 0.00 C ATOM 667 C GLN A 42 -6.901 11.203 13.819 1.00 0.00 C ATOM 668 O GLN A 42 -6.926 11.663 12.676 1.00 0.00 O ATOM 669 CB GLN A 42 -8.001 8.949 14.004 1.00 0.00 C ATOM 670 CG GLN A 42 -7.994 8.636 12.490 1.00 0.00 C ATOM 671 CD GLN A 42 -7.966 7.141 12.168 1.00 0.00 C ATOM 672 OE1 GLN A 42 -7.607 6.301 12.981 1.00 0.00 O ATOM 673 NE2 GLN A 42 -8.317 6.755 10.958 1.00 0.00 N ATOM 0 H GLN A 42 -9.329 11.261 12.834 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.154 10.598 15.423 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.080 8.567 14.446 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.826 8.410 14.470 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.878 9.080 12.033 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.126 9.113 12.034 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.619 7.445 10.270 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.287 5.766 10.709 1.00 0.00 H new ATOM 682 N PRO A 43 -5.820 11.349 14.608 1.00 0.00 N ATOM 683 CA PRO A 43 -4.593 12.012 14.165 1.00 0.00 C ATOM 684 C PRO A 43 -3.775 11.158 13.178 1.00 0.00 C ATOM 685 O PRO A 43 -3.799 9.924 13.222 1.00 0.00 O ATOM 686 CB PRO A 43 -3.806 12.290 15.449 1.00 0.00 C ATOM 687 CG PRO A 43 -4.247 11.173 16.392 1.00 0.00 C ATOM 688 CD PRO A 43 -5.704 10.938 16.002 1.00 0.00 C ATOM 0 HA PRO A 43 -4.821 12.924 13.613 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.731 12.264 15.273 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.039 13.274 15.857 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.645 10.274 16.260 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.153 11.468 17.437 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.976 9.889 16.123 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.376 11.517 16.636 1.00 0.00 H new ATOM 696 N VAL A 44 -3.002 11.825 12.313 1.00 0.00 N ATOM 697 CA VAL A 44 -1.979 11.192 11.457 1.00 0.00 C ATOM 698 C VAL A 44 -0.903 10.534 12.333 1.00 0.00 C ATOM 699 O VAL A 44 -0.404 11.155 13.276 1.00 0.00 O ATOM 700 CB VAL A 44 -1.329 12.233 10.518 1.00 0.00 C ATOM 701 CG1 VAL A 44 -0.222 11.618 9.653 1.00 0.00 C ATOM 702 CG2 VAL A 44 -2.354 12.854 9.561 1.00 0.00 C ATOM 0 H VAL A 44 -3.067 12.835 12.182 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.463 10.431 10.844 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.912 12.994 11.177 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.206 12.386 9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.557 11.208 10.296 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.641 10.822 9.038 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.858 13.581 8.918 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.800 12.071 8.948 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.134 13.352 10.137 1.00 0.00 H new ATOM 712 N ALA A 45 -0.528 9.289 12.021 1.00 0.00 N ATOM 713 CA ALA A 45 0.552 8.584 12.714 1.00 0.00 C ATOM 714 C ALA A 45 1.928 8.894 12.095 1.00 0.00 C ATOM 715 O ALA A 45 2.860 9.243 12.821 1.00 0.00 O ATOM 716 CB ALA A 45 0.262 7.079 12.687 1.00 0.00 C ATOM 0 H ALA A 45 -0.966 8.742 11.280 1.00 0.00 H new ATOM 0 HA ALA A 45 0.591 8.930 13.747 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.061 6.545 13.201 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.686 6.882 13.187 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.204 6.738 11.653 1.00 0.00 H new ATOM 722 N GLN A 46 2.049 8.782 10.765 1.00 0.00 N ATOM 723 CA GLN A 46 3.288 8.979 9.995 1.00 0.00 C ATOM 724 C GLN A 46 3.002 9.528 8.581 1.00 0.00 C ATOM 725 O GLN A 46 1.851 9.648 8.160 1.00 0.00 O ATOM 726 CB GLN A 46 4.072 7.648 9.898 1.00 0.00 C ATOM 727 CG GLN A 46 4.668 7.128 11.219 1.00 0.00 C ATOM 728 CD GLN A 46 5.652 8.091 11.895 1.00 0.00 C ATOM 729 OE1 GLN A 46 6.349 8.877 11.262 1.00 0.00 O ATOM 730 NE2 GLN A 46 5.762 8.058 13.208 1.00 0.00 N ATOM 0 H GLN A 46 1.255 8.542 10.171 1.00 0.00 H new ATOM 0 HA GLN A 46 3.891 9.718 10.523 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.407 6.884 9.495 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.882 7.776 9.180 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.854 6.915 11.912 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.177 6.184 11.026 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.191 7.411 13.752 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.418 8.679 13.681 1.00 0.00 H new ATOM 739 N TRP A 47 4.063 9.822 7.824 1.00 0.00 N ATOM 740 CA TRP A 47 4.019 10.406 6.477 1.00 0.00 C ATOM 741 C TRP A 47 4.934 9.600 5.544 1.00 0.00 C ATOM 742 O TRP A 47 6.100 9.363 5.881 1.00 0.00 O ATOM 743 CB TRP A 47 4.468 11.880 6.544 1.00 0.00 C ATOM 744 CG TRP A 47 3.664 12.778 7.439 1.00 0.00 C ATOM 745 CD1 TRP A 47 2.707 13.645 7.036 1.00 0.00 C ATOM 746 CD2 TRP A 47 3.723 12.904 8.896 1.00 0.00 C ATOM 747 NE1 TRP A 47 2.164 14.286 8.132 1.00 0.00 N ATOM 748 CE2 TRP A 47 2.717 13.829 9.307 1.00 0.00 C ATOM 749 CE3 TRP A 47 4.509 12.320 9.917 1.00 0.00 C ATOM 750 CZ2 TRP A 47 2.467 14.113 10.656 1.00 0.00 C ATOM 751 CZ3 TRP A 47 4.260 12.597 11.277 1.00 0.00 C ATOM 752 CH2 TRP A 47 3.234 13.483 11.648 1.00 0.00 C ATOM 0 H TRP A 47 5.016 9.653 8.145 1.00 0.00 H new ATOM 0 HA TRP A 47 3.002 10.369 6.086 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.506 11.907 6.875 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.444 12.292 5.535 1.00 0.00 H new ATOM 0 HD1 TRP A 47 2.412 13.811 6.010 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.444 15.007 8.078 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.313 11.651 9.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.690 14.811 10.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.862 12.125 12.039 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.037 13.678 12.692 1.00 0.00 H new ATOM 763 N HIS A 48 4.427 9.189 4.376 1.00 0.00 N ATOM 764 CA HIS A 48 5.171 8.372 3.407 1.00 0.00 C ATOM 765 C HIS A 48 5.060 8.951 1.986 1.00 0.00 C ATOM 766 O HIS A 48 3.987 9.347 1.520 1.00 0.00 O ATOM 767 CB HIS A 48 4.699 6.906 3.435 1.00 0.00 C ATOM 768 CG HIS A 48 4.521 6.307 4.812 1.00 0.00 C ATOM 769 ND1 HIS A 48 5.519 5.976 5.704 1.00 0.00 N ATOM 770 CD2 HIS A 48 3.329 5.976 5.402 1.00 0.00 C ATOM 771 CE1 HIS A 48 4.944 5.463 6.805 1.00 0.00 C ATOM 772 NE2 HIS A 48 3.604 5.441 6.670 1.00 0.00 N ATOM 0 H HIS A 48 3.480 9.416 4.073 1.00 0.00 H new ATOM 0 HA HIS A 48 6.221 8.395 3.699 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.750 6.837 2.902 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.418 6.300 2.884 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.349 6.104 4.967 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.481 5.117 7.676 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.925 5.103 7.352 1.00 0.00 H new ATOM 780 N ASP A 49 6.200 8.982 1.294 1.00 0.00 N ATOM 781 CA ASP A 49 6.394 9.583 -0.025 1.00 0.00 C ATOM 782 C ASP A 49 7.019 8.562 -0.983 1.00 0.00 C ATOM 783 O ASP A 49 8.147 8.098 -0.788 1.00 0.00 O ATOM 784 CB ASP A 49 7.226 10.876 0.073 1.00 0.00 C ATOM 785 CG ASP A 49 8.612 10.716 0.733 1.00 0.00 C ATOM 786 OD1 ASP A 49 8.688 10.523 1.972 1.00 0.00 O ATOM 787 OD2 ASP A 49 9.640 10.849 0.026 1.00 0.00 O ATOM 0 H ASP A 49 7.057 8.567 1.658 1.00 0.00 H new ATOM 0 HA ASP A 49 5.423 9.866 -0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.363 11.278 -0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.656 11.614 0.637 1.00 0.00 H new ATOM 792 N ARG A 50 6.250 8.179 -2.008 1.00 0.00 N ATOM 793 CA ARG A 50 6.650 7.174 -3.010 1.00 0.00 C ATOM 794 C ARG A 50 7.611 7.753 -4.054 1.00 0.00 C ATOM 795 O ARG A 50 8.445 7.029 -4.599 1.00 0.00 O ATOM 796 CB ARG A 50 5.400 6.617 -3.694 1.00 0.00 C ATOM 797 CG ARG A 50 4.305 6.134 -2.719 1.00 0.00 C ATOM 798 CD ARG A 50 4.761 5.100 -1.677 1.00 0.00 C ATOM 799 NE ARG A 50 5.188 3.823 -2.284 1.00 0.00 N ATOM 800 CZ ARG A 50 4.429 2.777 -2.560 1.00 0.00 C ATOM 801 NH1 ARG A 50 3.134 2.790 -2.395 1.00 0.00 N ATOM 802 NH2 ARG A 50 4.958 1.690 -3.040 1.00 0.00 N ATOM 0 H ARG A 50 5.318 8.561 -2.171 1.00 0.00 H new ATOM 0 HA ARG A 50 7.181 6.374 -2.494 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.980 7.387 -4.341 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.691 5.786 -4.336 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.901 7.000 -2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.489 5.704 -3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.586 5.515 -1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.945 4.910 -0.980 1.00 0.00 H new ATOM 0 HE ARG A 50 6.178 3.739 -2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.673 3.629 -2.041 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.583 1.962 -2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.963 1.642 -3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.367 0.886 -3.251 1.00 0.00 H new ATOM 816 N GLY A 51 7.490 9.055 -4.326 1.00 0.00 N ATOM 817 CA GLY A 51 8.397 9.833 -5.173 1.00 0.00 C ATOM 818 C GLY A 51 7.899 9.951 -6.612 1.00 0.00 C ATOM 819 O GLY A 51 7.680 11.061 -7.082 1.00 0.00 O ATOM 0 H GLY A 51 6.728 9.618 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.517 10.831 -4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.382 9.366 -5.170 1.00 0.00 H new ATOM 823 N GLU A 52 7.658 8.825 -7.288 1.00 0.00 N ATOM 824 CA GLU A 52 7.153 8.730 -8.669 1.00 0.00 C ATOM 825 C GLU A 52 6.699 7.288 -8.961 1.00 0.00 C ATOM 826 O GLU A 52 7.532 6.382 -9.070 1.00 0.00 O ATOM 827 CB GLU A 52 8.239 9.101 -9.704 1.00 0.00 C ATOM 828 CG GLU A 52 8.362 10.594 -10.032 1.00 0.00 C ATOM 829 CD GLU A 52 9.259 10.839 -11.262 1.00 0.00 C ATOM 830 OE1 GLU A 52 8.873 10.477 -12.400 1.00 0.00 O ATOM 831 OE2 GLU A 52 10.368 11.406 -11.102 1.00 0.00 O ATOM 0 H GLU A 52 7.816 7.908 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 52 6.322 9.430 -8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.202 8.748 -9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.034 8.560 -10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.371 11.008 -10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.773 11.122 -9.172 1.00 0.00 H new ATOM 838 N GLN A 53 5.389 7.071 -9.124 1.00 0.00 N ATOM 839 CA GLN A 53 4.806 5.807 -9.604 1.00 0.00 C ATOM 840 C GLN A 53 3.814 6.015 -10.757 1.00 0.00 C ATOM 841 O GLN A 53 3.388 7.135 -11.033 1.00 0.00 O ATOM 842 CB GLN A 53 4.132 5.071 -8.437 1.00 0.00 C ATOM 843 CG GLN A 53 5.154 4.812 -7.328 1.00 0.00 C ATOM 844 CD GLN A 53 4.700 3.805 -6.289 1.00 0.00 C ATOM 845 OE1 GLN A 53 5.330 2.778 -6.068 1.00 0.00 O ATOM 846 NE2 GLN A 53 3.698 4.129 -5.499 1.00 0.00 N ATOM 0 H GLN A 53 4.687 7.783 -8.922 1.00 0.00 H new ATOM 0 HA GLN A 53 5.620 5.199 -10.000 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.304 5.665 -8.050 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.712 4.127 -8.784 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.082 4.459 -7.779 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.380 5.755 -6.830 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.166 4.982 -5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.453 3.527 -4.713 1.00 0.00 H new ATOM 855 N GLU A 54 3.459 4.926 -11.442 1.00 0.00 N ATOM 856 CA GLU A 54 2.489 4.912 -12.544 1.00 0.00 C ATOM 857 C GLU A 54 1.071 5.353 -12.110 1.00 0.00 C ATOM 858 O GLU A 54 0.306 4.581 -11.523 1.00 0.00 O ATOM 859 CB GLU A 54 2.491 3.537 -13.245 1.00 0.00 C ATOM 860 CG GLU A 54 2.322 2.306 -12.333 1.00 0.00 C ATOM 861 CD GLU A 54 3.631 1.504 -12.230 1.00 0.00 C ATOM 862 OE1 GLU A 54 4.514 1.888 -11.425 1.00 0.00 O ATOM 863 OE2 GLU A 54 3.789 0.490 -12.956 1.00 0.00 O ATOM 0 H GLU A 54 3.847 4.004 -11.242 1.00 0.00 H new ATOM 0 HA GLU A 54 2.809 5.661 -13.269 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.690 3.528 -13.984 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.429 3.432 -13.791 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.010 2.627 -11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.531 1.666 -12.724 1.00 0.00 H new ATOM 870 N VAL A 55 0.714 6.610 -12.397 1.00 0.00 N ATOM 871 CA VAL A 55 -0.597 7.201 -12.081 1.00 0.00 C ATOM 872 C VAL A 55 -1.568 7.016 -13.242 1.00 0.00 C ATOM 873 O VAL A 55 -1.243 7.243 -14.411 1.00 0.00 O ATOM 874 CB VAL A 55 -0.483 8.700 -11.729 1.00 0.00 C ATOM 875 CG1 VAL A 55 -1.839 9.331 -11.377 1.00 0.00 C ATOM 876 CG2 VAL A 55 0.420 8.874 -10.506 1.00 0.00 C ATOM 0 H VAL A 55 1.342 7.262 -12.867 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.980 6.677 -11.206 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.079 9.193 -12.613 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.699 10.385 -11.138 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.515 9.238 -12.227 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.267 8.818 -10.516 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.499 9.933 -10.260 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.006 8.335 -9.660 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.411 8.478 -10.726 1.00 0.00 H new ATOM 886 N PHE A 56 -2.800 6.670 -12.886 1.00 0.00 N ATOM 887 CA PHE A 56 -3.919 6.502 -13.801 1.00 0.00 C ATOM 888 C PHE A 56 -5.020 7.506 -13.451 1.00 0.00 C ATOM 889 O PHE A 56 -5.290 7.798 -12.282 1.00 0.00 O ATOM 890 CB PHE A 56 -4.425 5.053 -13.729 1.00 0.00 C ATOM 891 CG PHE A 56 -3.500 4.031 -14.370 1.00 0.00 C ATOM 892 CD1 PHE A 56 -2.268 3.694 -13.774 1.00 0.00 C ATOM 893 CD2 PHE A 56 -3.870 3.418 -15.581 1.00 0.00 C ATOM 894 CE1 PHE A 56 -1.396 2.795 -14.411 1.00 0.00 C ATOM 895 CE2 PHE A 56 -3.021 2.478 -16.192 1.00 0.00 C ATOM 896 CZ PHE A 56 -1.773 2.183 -15.619 1.00 0.00 C ATOM 0 H PHE A 56 -3.055 6.492 -11.914 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.602 6.696 -14.826 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.573 4.785 -12.683 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.400 4.997 -14.214 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.993 4.128 -12.824 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.812 3.671 -16.044 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.434 2.574 -13.972 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.328 1.983 -17.101 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.105 1.488 -16.105 1.00 0.00 H new ATOM 906 N GLU A 57 -5.660 8.046 -14.485 1.00 0.00 N ATOM 907 CA GLU A 57 -6.869 8.849 -14.334 1.00 0.00 C ATOM 908 C GLU A 57 -8.008 7.962 -13.809 1.00 0.00 C ATOM 909 O GLU A 57 -8.296 6.911 -14.388 1.00 0.00 O ATOM 910 CB GLU A 57 -7.242 9.444 -15.703 1.00 0.00 C ATOM 911 CG GLU A 57 -8.446 10.390 -15.632 1.00 0.00 C ATOM 912 CD GLU A 57 -8.710 11.031 -17.007 1.00 0.00 C ATOM 913 OE1 GLU A 57 -9.320 10.371 -17.884 1.00 0.00 O ATOM 914 OE2 GLU A 57 -8.304 12.199 -17.219 1.00 0.00 O ATOM 0 H GLU A 57 -5.354 7.939 -15.452 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.699 9.658 -13.623 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.385 9.984 -16.105 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.463 8.634 -16.398 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.329 9.841 -15.305 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.262 11.168 -14.891 1.00 0.00 H new ATOM 921 N TYR A 58 -8.685 8.405 -12.749 1.00 0.00 N ATOM 922 CA TYR A 58 -9.914 7.814 -12.250 1.00 0.00 C ATOM 923 C TYR A 58 -11.032 8.859 -12.388 1.00 0.00 C ATOM 924 O TYR A 58 -11.083 9.848 -11.655 1.00 0.00 O ATOM 925 CB TYR A 58 -9.679 7.309 -10.815 1.00 0.00 C ATOM 926 CG TYR A 58 -10.915 6.932 -10.021 1.00 0.00 C ATOM 927 CD1 TYR A 58 -12.091 6.542 -10.685 1.00 0.00 C ATOM 928 CD2 TYR A 58 -10.864 6.895 -8.611 1.00 0.00 C ATOM 929 CE1 TYR A 58 -13.209 6.128 -9.957 1.00 0.00 C ATOM 930 CE2 TYR A 58 -11.980 6.446 -7.874 1.00 0.00 C ATOM 931 CZ TYR A 58 -13.151 6.054 -8.558 1.00 0.00 C ATOM 932 OH TYR A 58 -14.228 5.561 -7.903 1.00 0.00 O ATOM 0 H TYR A 58 -8.379 9.210 -12.202 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.226 6.941 -12.824 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.025 6.438 -10.862 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.142 8.082 -10.265 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.130 6.563 -11.764 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.969 7.211 -8.095 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -14.120 5.864 -10.473 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.939 6.403 -6.796 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.635 6.270 -7.362 1.00 0.00 H new ATOM 942 N CYS A 59 -11.926 8.641 -13.356 1.00 0.00 N ATOM 943 CA CYS A 59 -13.079 9.498 -13.612 1.00 0.00 C ATOM 944 C CYS A 59 -14.391 8.731 -13.384 1.00 0.00 C ATOM 945 O CYS A 59 -14.513 7.545 -13.708 1.00 0.00 O ATOM 946 CB CYS A 59 -12.965 10.047 -15.036 1.00 0.00 C ATOM 947 SG CYS A 59 -14.238 11.311 -15.321 1.00 0.00 S ATOM 0 H CYS A 59 -11.864 7.848 -13.994 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.092 10.335 -12.914 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.975 10.476 -15.191 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.078 9.237 -15.757 1.00 0.00 H new ATOM 0 HG CYS A 59 -14.129 11.771 -16.532 1.00 0.00 H new ATOM 953 N LEU A 60 -15.376 9.423 -12.816 1.00 0.00 N ATOM 954 CA LEU A 60 -16.673 8.875 -12.412 1.00 0.00 C ATOM 955 C LEU A 60 -17.798 9.232 -13.395 1.00 0.00 C ATOM 956 O LEU A 60 -17.681 10.150 -14.207 1.00 0.00 O ATOM 957 CB LEU A 60 -16.998 9.434 -11.013 1.00 0.00 C ATOM 958 CG LEU A 60 -17.342 8.408 -9.931 1.00 0.00 C ATOM 959 CD1 LEU A 60 -16.180 7.474 -9.643 1.00 0.00 C ATOM 960 CD2 LEU A 60 -17.735 9.154 -8.655 1.00 0.00 C ATOM 0 H LEU A 60 -15.291 10.420 -12.616 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.608 7.787 -12.403 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.143 10.017 -10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.836 10.124 -11.108 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.169 7.795 -10.289 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -16.468 6.763 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.914 6.934 -10.551 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.323 8.054 -9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.983 8.435 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.902 9.774 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.601 9.785 -8.855 1.00 0.00 H new ATOM 972 N GLU A 61 -18.933 8.541 -13.261 1.00 0.00 N ATOM 973 CA GLU A 61 -20.126 8.754 -14.106 1.00 0.00 C ATOM 974 C GLU A 61 -20.769 10.145 -13.919 1.00 0.00 C ATOM 975 O GLU A 61 -21.408 10.668 -14.836 1.00 0.00 O ATOM 976 CB GLU A 61 -21.163 7.654 -13.816 1.00 0.00 C ATOM 977 CG GLU A 61 -20.718 6.224 -14.171 1.00 0.00 C ATOM 978 CD GLU A 61 -20.708 5.900 -15.683 1.00 0.00 C ATOM 979 OE1 GLU A 61 -20.950 6.791 -16.534 1.00 0.00 O ATOM 980 OE2 GLU A 61 -20.467 4.720 -16.034 1.00 0.00 O ATOM 0 H GLU A 61 -19.058 7.811 -12.560 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.794 8.704 -15.143 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -21.416 7.686 -12.756 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -22.075 7.881 -14.369 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -19.716 6.062 -13.773 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -21.379 5.518 -13.668 1.00 0.00 H new ATOM 987 N ASP A 62 -20.581 10.767 -12.749 1.00 0.00 N ATOM 988 CA ASP A 62 -21.048 12.127 -12.430 1.00 0.00 C ATOM 989 C ASP A 62 -20.100 13.231 -12.950 1.00 0.00 C ATOM 990 O ASP A 62 -20.527 14.372 -13.147 1.00 0.00 O ATOM 991 CB ASP A 62 -21.199 12.228 -10.904 1.00 0.00 C ATOM 992 CG ASP A 62 -21.688 13.609 -10.438 1.00 0.00 C ATOM 993 OD1 ASP A 62 -22.878 13.941 -10.660 1.00 0.00 O ATOM 994 OD2 ASP A 62 -20.890 14.351 -9.815 1.00 0.00 O ATOM 0 H ASP A 62 -20.085 10.327 -11.973 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.001 12.291 -12.934 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.900 11.466 -10.563 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -20.240 12.011 -10.434 1.00 0.00 H new ATOM 999 N GLY A 63 -18.821 12.900 -13.174 1.00 0.00 N ATOM 1000 CA GLY A 63 -17.775 13.831 -13.625 1.00 0.00 C ATOM 1001 C GLY A 63 -16.669 14.105 -12.592 1.00 0.00 C ATOM 1002 O GLY A 63 -15.725 14.836 -12.901 1.00 0.00 O ATOM 0 H GLY A 63 -18.474 11.950 -13.043 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.317 13.431 -14.530 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.243 14.778 -13.896 1.00 0.00 H new ATOM 1006 N SER A 64 -16.765 13.539 -11.378 1.00 0.00 N ATOM 1007 CA SER A 64 -15.701 13.624 -10.357 1.00 0.00 C ATOM 1008 C SER A 64 -14.380 13.051 -10.894 1.00 0.00 C ATOM 1009 O SER A 64 -14.374 11.989 -11.525 1.00 0.00 O ATOM 1010 CB SER A 64 -16.090 12.884 -9.067 1.00 0.00 C ATOM 1011 OG SER A 64 -17.207 13.484 -8.428 1.00 0.00 O ATOM 0 H SER A 64 -17.582 13.009 -11.074 1.00 0.00 H new ATOM 0 HA SER A 64 -15.569 14.681 -10.124 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.321 11.845 -9.300 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.241 12.876 -8.383 1.00 0.00 H new ATOM 0 HG SER A 64 -17.425 12.985 -7.613 1.00 0.00 H new ATOM 1017 N LEU A 65 -13.263 13.738 -10.623 1.00 0.00 N ATOM 1018 CA LEU A 65 -11.941 13.437 -11.187 1.00 0.00 C ATOM 1019 C LEU A 65 -10.923 13.223 -10.053 1.00 0.00 C ATOM 1020 O LEU A 65 -10.754 14.073 -9.174 1.00 0.00 O ATOM 1021 CB LEU A 65 -11.536 14.585 -12.142 1.00 0.00 C ATOM 1022 CG LEU A 65 -10.591 14.229 -13.308 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -9.347 13.445 -12.899 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -11.321 13.431 -14.389 1.00 0.00 C ATOM 0 H LEU A 65 -13.253 14.538 -9.990 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.967 12.512 -11.764 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.446 15.012 -12.563 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.062 15.367 -11.549 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.261 15.196 -13.689 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.741 13.238 -13.781 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.765 14.031 -12.188 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.646 12.505 -12.436 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.629 13.195 -15.197 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.707 12.506 -13.960 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.149 14.022 -14.781 1.00 0.00 H new ATOM 1036 N ILE A 66 -10.267 12.063 -10.075 1.00 0.00 N ATOM 1037 CA ILE A 66 -9.374 11.526 -9.042 1.00 0.00 C ATOM 1038 C ILE A 66 -8.113 10.965 -9.735 1.00 0.00 C ATOM 1039 O ILE A 66 -8.152 10.557 -10.900 1.00 0.00 O ATOM 1040 CB ILE A 66 -10.126 10.456 -8.192 1.00 0.00 C ATOM 1041 CG1 ILE A 66 -11.499 10.950 -7.656 1.00 0.00 C ATOM 1042 CG2 ILE A 66 -9.243 10.006 -7.009 1.00 0.00 C ATOM 1043 CD1 ILE A 66 -12.415 9.874 -7.045 1.00 0.00 C ATOM 0 H ILE A 66 -10.350 11.428 -10.869 1.00 0.00 H new ATOM 0 HA ILE A 66 -9.061 12.306 -8.348 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.327 9.618 -8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.317 11.715 -6.901 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.034 11.431 -8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.776 9.259 -6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.317 9.575 -7.389 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.012 10.866 -6.380 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.342 10.335 -6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.640 9.118 -7.797 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.912 9.406 -6.199 1.00 0.00 H new ATOM 1055 N ARG A 67 -6.965 10.977 -9.043 1.00 0.00 N ATOM 1056 CA ARG A 67 -5.641 10.626 -9.597 1.00 0.00 C ATOM 1057 C ARG A 67 -4.871 9.760 -8.601 1.00 0.00 C ATOM 1058 O ARG A 67 -4.443 10.236 -7.547 1.00 0.00 O ATOM 1059 CB ARG A 67 -4.851 11.910 -9.913 1.00 0.00 C ATOM 1060 CG ARG A 67 -5.490 12.821 -10.969 1.00 0.00 C ATOM 1061 CD ARG A 67 -5.165 12.348 -12.386 1.00 0.00 C ATOM 1062 NE ARG A 67 -5.817 13.182 -13.415 1.00 0.00 N ATOM 1063 CZ ARG A 67 -5.426 14.364 -13.861 1.00 0.00 C ATOM 1064 NH1 ARG A 67 -4.438 15.030 -13.332 1.00 0.00 N ATOM 1065 NH2 ARG A 67 -6.036 14.914 -14.873 1.00 0.00 N ATOM 0 H ARG A 67 -6.926 11.237 -8.057 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.776 10.060 -10.519 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.727 12.479 -8.991 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.853 11.631 -10.252 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.571 12.840 -10.829 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.133 13.842 -10.834 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.085 12.368 -12.535 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.484 11.313 -12.504 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.668 12.802 -13.830 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.929 14.642 -12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.174 15.939 -13.712 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.816 14.433 -15.322 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.734 15.826 -15.216 1.00 0.00 H new ATOM 1079 N ALA A 68 -4.719 8.482 -8.933 1.00 0.00 N ATOM 1080 CA ALA A 68 -4.153 7.466 -8.043 1.00 0.00 C ATOM 1081 C ALA A 68 -3.400 6.351 -8.790 1.00 0.00 C ATOM 1082 O ALA A 68 -3.448 6.240 -10.018 1.00 0.00 O ATOM 1083 CB ALA A 68 -5.294 6.880 -7.193 1.00 0.00 C ATOM 0 H ALA A 68 -4.990 8.113 -9.845 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.407 7.947 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.894 6.120 -6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.756 7.674 -6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.041 6.430 -7.847 1.00 0.00 H new ATOM 1089 N THR A 69 -2.706 5.505 -8.027 1.00 0.00 N ATOM 1090 CA THR A 69 -2.044 4.286 -8.521 1.00 0.00 C ATOM 1091 C THR A 69 -2.958 3.066 -8.439 1.00 0.00 C ATOM 1092 O THR A 69 -3.754 2.936 -7.508 1.00 0.00 O ATOM 1093 CB THR A 69 -0.794 3.967 -7.689 1.00 0.00 C ATOM 1094 OG1 THR A 69 -1.111 3.917 -6.312 1.00 0.00 O ATOM 1095 CG2 THR A 69 0.290 5.013 -7.886 1.00 0.00 C ATOM 0 H THR A 69 -2.583 5.647 -7.025 1.00 0.00 H new ATOM 0 HA THR A 69 -1.783 4.486 -9.560 1.00 0.00 H new ATOM 0 HB THR A 69 -0.428 2.998 -8.029 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.054 2.991 -5.997 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.159 4.754 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.576 5.047 -8.937 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.087 5.989 -7.581 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.718 2.089 -9.317 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.375 0.766 -9.334 1.00 0.00 C ATOM 1105 C LYS A 70 -3.090 -0.138 -8.125 1.00 0.00 C ATOM 1106 O LYS A 70 -3.692 -1.199 -8.007 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.986 0.050 -10.637 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.882 0.484 -11.802 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.287 -0.037 -13.118 1.00 0.00 C ATOM 1110 CE LYS A 70 -4.270 -0.247 -14.276 1.00 0.00 C ATOM 1111 NZ LYS A 70 -5.424 0.697 -14.276 1.00 0.00 N ATOM 0 H LYS A 70 -2.035 2.195 -10.067 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.446 0.959 -9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.945 0.267 -10.876 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.063 -1.028 -10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.891 0.094 -11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.962 1.571 -11.830 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.518 0.663 -13.446 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.790 -0.986 -12.916 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.731 -0.145 -15.218 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.650 -1.268 -14.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.059 0.469 -15.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.944 0.610 -13.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.076 1.671 -14.381 1.00 0.00 H new ATOM 1125 N ASP A 71 -2.209 0.277 -7.214 1.00 0.00 N ATOM 1126 CA ASP A 71 -1.901 -0.437 -5.965 1.00 0.00 C ATOM 1127 C ASP A 71 -2.645 0.153 -4.757 1.00 0.00 C ATOM 1128 O ASP A 71 -2.578 -0.410 -3.663 1.00 0.00 O ATOM 1129 CB ASP A 71 -0.383 -0.409 -5.732 1.00 0.00 C ATOM 1130 CG ASP A 71 0.349 -1.377 -6.672 1.00 0.00 C ATOM 1131 OD1 ASP A 71 0.322 -2.605 -6.414 1.00 0.00 O ATOM 1132 OD2 ASP A 71 0.969 -0.917 -7.661 1.00 0.00 O ATOM 0 H ASP A 71 -1.675 1.139 -7.323 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.243 -1.467 -6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.009 0.603 -5.887 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.168 -0.673 -4.697 1.00 0.00 H new ATOM 1137 N HIS A 72 -3.354 1.279 -4.928 1.00 0.00 N ATOM 1138 CA HIS A 72 -4.117 1.889 -3.837 1.00 0.00 C ATOM 1139 C HIS A 72 -5.497 1.236 -3.769 1.00 0.00 C ATOM 1140 O HIS A 72 -6.216 1.174 -4.773 1.00 0.00 O ATOM 1141 CB HIS A 72 -4.234 3.409 -4.020 1.00 0.00 C ATOM 1142 CG HIS A 72 -4.513 4.138 -2.718 1.00 0.00 C ATOM 1143 ND1 HIS A 72 -5.511 3.903 -1.796 1.00 0.00 N ATOM 1144 CD2 HIS A 72 -3.693 5.073 -2.150 1.00 0.00 C ATOM 1145 CE1 HIS A 72 -5.272 4.658 -0.711 1.00 0.00 C ATOM 1146 NE2 HIS A 72 -4.176 5.409 -0.882 1.00 0.00 N ATOM 0 H HIS A 72 -3.413 1.783 -5.813 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.591 1.721 -2.897 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.310 3.790 -4.454 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -5.032 3.625 -4.730 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -6.297 3.264 -1.917 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.808 5.488 -2.610 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.882 4.659 0.180 1.00 0.00 H new ATOM 1154 N LYS A 73 -5.874 0.743 -2.584 1.00 0.00 N ATOM 1155 CA LYS A 73 -7.206 0.186 -2.350 1.00 0.00 C ATOM 1156 C LYS A 73 -8.186 1.292 -1.963 1.00 0.00 C ATOM 1157 O LYS A 73 -7.808 2.335 -1.428 1.00 0.00 O ATOM 1158 CB LYS A 73 -7.165 -0.942 -1.302 1.00 0.00 C ATOM 1159 CG LYS A 73 -6.309 -2.150 -1.715 1.00 0.00 C ATOM 1160 CD LYS A 73 -4.842 -2.061 -1.274 1.00 0.00 C ATOM 1161 CE LYS A 73 -4.120 -3.392 -1.515 1.00 0.00 C ATOM 1162 NZ LYS A 73 -4.420 -4.400 -0.459 1.00 0.00 N ATOM 0 H LYS A 73 -5.266 0.720 -1.765 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.561 -0.261 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.779 -0.540 -0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.183 -1.281 -1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.749 -3.054 -1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.345 -2.253 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.340 -1.265 -1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.790 -1.800 -0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.412 -3.790 -2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.045 -3.218 -1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.909 -5.282 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.118 -4.034 0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.443 -4.589 -0.440 1.00 0.00 H new ATOM 1176 N PHE A 74 -9.465 1.057 -2.211 1.00 0.00 N ATOM 1177 CA PHE A 74 -10.538 1.974 -1.831 1.00 0.00 C ATOM 1178 C PHE A 74 -11.717 1.172 -1.277 1.00 0.00 C ATOM 1179 O PHE A 74 -11.996 0.064 -1.739 1.00 0.00 O ATOM 1180 CB PHE A 74 -10.973 2.812 -3.039 1.00 0.00 C ATOM 1181 CG PHE A 74 -9.977 3.832 -3.572 1.00 0.00 C ATOM 1182 CD1 PHE A 74 -8.936 3.421 -4.430 1.00 0.00 C ATOM 1183 CD2 PHE A 74 -10.130 5.202 -3.275 1.00 0.00 C ATOM 1184 CE1 PHE A 74 -8.038 4.366 -4.959 1.00 0.00 C ATOM 1185 CE2 PHE A 74 -9.230 6.147 -3.803 1.00 0.00 C ATOM 1186 CZ PHE A 74 -8.182 5.728 -4.642 1.00 0.00 C ATOM 0 H PHE A 74 -9.795 0.217 -2.686 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.178 2.655 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.225 2.129 -3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.888 3.341 -2.772 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.828 2.376 -4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.941 5.528 -2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.238 4.045 -5.609 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.344 7.194 -3.564 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.488 6.452 -5.043 1.00 0.00 H new ATOM 1196 N MET A 75 -12.384 1.720 -0.261 1.00 0.00 N ATOM 1197 CA MET A 75 -13.452 1.030 0.465 1.00 0.00 C ATOM 1198 C MET A 75 -14.740 0.935 -0.379 1.00 0.00 C ATOM 1199 O MET A 75 -15.459 1.928 -0.540 1.00 0.00 O ATOM 1200 CB MET A 75 -13.673 1.746 1.807 1.00 0.00 C ATOM 1201 CG MET A 75 -14.539 0.892 2.736 1.00 0.00 C ATOM 1202 SD MET A 75 -14.712 1.472 4.447 1.00 0.00 S ATOM 1203 CE MET A 75 -15.309 3.152 4.144 1.00 0.00 C ATOM 0 H MET A 75 -12.198 2.662 0.084 1.00 0.00 H new ATOM 0 HA MET A 75 -13.159 -0.001 0.665 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.712 1.948 2.280 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.153 2.710 1.637 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.535 0.817 2.300 1.00 0.00 H new ATOM 0 HG3 MET A 75 -14.124 -0.116 2.758 1.00 0.00 H new ATOM 0 HE1 MET A 75 -15.991 3.445 4.942 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.464 3.839 4.118 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.833 3.185 3.189 1.00 0.00 H new ATOM 1213 N THR A 76 -15.024 -0.243 -0.953 1.00 0.00 N ATOM 1214 CA THR A 76 -16.238 -0.473 -1.770 1.00 0.00 C ATOM 1215 C THR A 76 -17.532 -0.296 -0.978 1.00 0.00 C ATOM 1216 O THR A 76 -17.521 -0.168 0.247 1.00 0.00 O ATOM 1217 CB THR A 76 -16.257 -1.837 -2.479 1.00 0.00 C ATOM 1218 OG1 THR A 76 -16.278 -2.877 -1.531 1.00 0.00 O ATOM 1219 CG2 THR A 76 -15.102 -2.031 -3.460 1.00 0.00 C ATOM 0 H THR A 76 -14.425 -1.064 -0.868 1.00 0.00 H new ATOM 0 HA THR A 76 -16.188 0.301 -2.535 1.00 0.00 H new ATOM 0 HB THR A 76 -17.169 -1.863 -3.075 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.452 -3.729 -1.984 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.179 -3.015 -3.923 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.147 -1.262 -4.231 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.155 -1.955 -2.926 1.00 0.00 H new ATOM 1227 N VAL A 77 -18.673 -0.320 -1.677 1.00 0.00 N ATOM 1228 CA VAL A 77 -20.013 -0.203 -1.069 1.00 0.00 C ATOM 1229 C VAL A 77 -20.312 -1.214 0.050 1.00 0.00 C ATOM 1230 O VAL A 77 -21.126 -0.932 0.930 1.00 0.00 O ATOM 1231 CB VAL A 77 -21.130 -0.263 -2.127 1.00 0.00 C ATOM 1232 CG1 VAL A 77 -21.029 0.944 -3.059 1.00 0.00 C ATOM 1233 CG2 VAL A 77 -21.106 -1.552 -2.961 1.00 0.00 C ATOM 0 H VAL A 77 -18.697 -0.422 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 77 -19.998 0.780 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 77 -22.074 -0.250 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -21.822 0.895 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -21.132 1.861 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -20.060 0.938 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -21.918 -1.531 -3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -20.153 -1.629 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -21.229 -2.413 -2.304 1.00 0.00 H new ATOM 1243 N ASP A 78 -19.644 -2.372 0.042 1.00 0.00 N ATOM 1244 CA ASP A 78 -19.747 -3.408 1.083 1.00 0.00 C ATOM 1245 C ASP A 78 -18.619 -3.325 2.139 1.00 0.00 C ATOM 1246 O ASP A 78 -18.697 -3.964 3.190 1.00 0.00 O ATOM 1247 CB ASP A 78 -19.752 -4.774 0.383 1.00 0.00 C ATOM 1248 CG ASP A 78 -20.088 -5.930 1.339 1.00 0.00 C ATOM 1249 OD1 ASP A 78 -21.210 -5.943 1.906 1.00 0.00 O ATOM 1250 OD2 ASP A 78 -19.254 -6.855 1.491 1.00 0.00 O ATOM 0 H ASP A 78 -18.999 -2.624 -0.707 1.00 0.00 H new ATOM 0 HA ASP A 78 -20.671 -3.254 1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -20.478 -4.758 -0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -18.774 -4.951 -0.065 1.00 0.00 H new ATOM 1255 N GLY A 79 -17.578 -2.528 1.872 1.00 0.00 N ATOM 1256 CA GLY A 79 -16.440 -2.270 2.760 1.00 0.00 C ATOM 1257 C GLY A 79 -15.120 -2.901 2.296 1.00 0.00 C ATOM 1258 O GLY A 79 -14.089 -2.656 2.920 1.00 0.00 O ATOM 0 H GLY A 79 -17.503 -2.022 0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.302 -1.193 2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.678 -2.645 3.755 1.00 0.00 H new ATOM 1262 N GLN A 80 -15.128 -3.714 1.231 1.00 0.00 N ATOM 1263 CA GLN A 80 -13.954 -4.468 0.764 1.00 0.00 C ATOM 1264 C GLN A 80 -12.801 -3.535 0.359 1.00 0.00 C ATOM 1265 O GLN A 80 -13.022 -2.496 -0.270 1.00 0.00 O ATOM 1266 CB GLN A 80 -14.319 -5.383 -0.423 1.00 0.00 C ATOM 1267 CG GLN A 80 -15.514 -6.328 -0.202 1.00 0.00 C ATOM 1268 CD GLN A 80 -15.241 -7.413 0.843 1.00 0.00 C ATOM 1269 OE1 GLN A 80 -15.160 -7.168 2.040 1.00 0.00 O ATOM 1270 NE2 GLN A 80 -15.080 -8.657 0.435 1.00 0.00 N ATOM 0 H GLN A 80 -15.960 -3.869 0.662 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.621 -5.083 1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.532 -4.755 -1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -13.446 -5.985 -0.674 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -16.379 -5.742 0.109 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -15.774 -6.802 -1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -15.144 -8.880 -0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -14.892 -9.396 1.113 1.00 0.00 H new ATOM 1279 N MET A 81 -11.567 -3.934 0.681 1.00 0.00 N ATOM 1280 CA MET A 81 -10.344 -3.179 0.375 1.00 0.00 C ATOM 1281 C MET A 81 -9.650 -3.789 -0.854 1.00 0.00 C ATOM 1282 O MET A 81 -8.747 -4.618 -0.727 1.00 0.00 O ATOM 1283 CB MET A 81 -9.406 -3.084 1.600 1.00 0.00 C ATOM 1284 CG MET A 81 -10.129 -2.808 2.925 1.00 0.00 C ATOM 1285 SD MET A 81 -10.463 -4.317 3.885 1.00 0.00 S ATOM 1286 CE MET A 81 -11.746 -3.721 5.015 1.00 0.00 C ATOM 0 H MET A 81 -11.384 -4.809 1.172 1.00 0.00 H new ATOM 0 HA MET A 81 -10.617 -2.152 0.131 1.00 0.00 H new ATOM 0 HB2 MET A 81 -8.849 -4.017 1.690 1.00 0.00 H new ATOM 0 HB3 MET A 81 -8.677 -2.293 1.425 1.00 0.00 H new ATOM 0 HG2 MET A 81 -9.525 -2.128 3.526 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.071 -2.300 2.719 1.00 0.00 H new ATOM 0 HE1 MET A 81 -11.601 -4.168 5.998 1.00 0.00 H new ATOM 0 HE2 MET A 81 -11.683 -2.636 5.097 1.00 0.00 H new ATOM 0 HE3 MET A 81 -12.727 -4.000 4.631 1.00 0.00 H new ATOM 1296 N LEU A 82 -10.104 -3.403 -2.052 1.00 0.00 N ATOM 1297 CA LEU A 82 -9.605 -3.919 -3.337 1.00 0.00 C ATOM 1298 C LEU A 82 -8.940 -2.795 -4.156 1.00 0.00 C ATOM 1299 O LEU A 82 -9.384 -1.643 -4.071 1.00 0.00 O ATOM 1300 CB LEU A 82 -10.752 -4.557 -4.150 1.00 0.00 C ATOM 1301 CG LEU A 82 -11.625 -5.581 -3.398 1.00 0.00 C ATOM 1302 CD1 LEU A 82 -12.727 -6.098 -4.323 1.00 0.00 C ATOM 1303 CD2 LEU A 82 -10.829 -6.785 -2.893 1.00 0.00 C ATOM 0 H LEU A 82 -10.844 -2.709 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.858 -4.684 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.398 -3.759 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.322 -5.047 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.039 -5.059 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -13.342 -6.822 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -13.349 -5.264 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.277 -6.577 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.497 -7.471 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.370 -7.298 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.052 -6.446 -2.208 1.00 0.00 H new ATOM 1315 N PRO A 83 -7.894 -3.098 -4.949 1.00 0.00 N ATOM 1316 CA PRO A 83 -7.216 -2.111 -5.786 1.00 0.00 C ATOM 1317 C PRO A 83 -8.109 -1.628 -6.931 1.00 0.00 C ATOM 1318 O PRO A 83 -8.908 -2.391 -7.476 1.00 0.00 O ATOM 1319 CB PRO A 83 -5.975 -2.824 -6.330 1.00 0.00 C ATOM 1320 CG PRO A 83 -6.383 -4.294 -6.340 1.00 0.00 C ATOM 1321 CD PRO A 83 -7.278 -4.409 -5.113 1.00 0.00 C ATOM 0 HA PRO A 83 -6.960 -1.220 -5.213 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.716 -2.473 -7.329 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.104 -2.654 -5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.915 -4.559 -7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.518 -4.954 -6.272 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.034 -5.182 -5.251 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.699 -4.683 -4.231 1.00 0.00 H new ATOM 1329 N ILE A 84 -7.940 -0.372 -7.351 1.00 0.00 N ATOM 1330 CA ILE A 84 -8.774 0.223 -8.408 1.00 0.00 C ATOM 1331 C ILE A 84 -8.698 -0.494 -9.770 1.00 0.00 C ATOM 1332 O ILE A 84 -9.681 -0.515 -10.514 1.00 0.00 O ATOM 1333 CB ILE A 84 -8.507 1.736 -8.502 1.00 0.00 C ATOM 1334 CG1 ILE A 84 -9.626 2.371 -9.338 1.00 0.00 C ATOM 1335 CG2 ILE A 84 -7.106 2.055 -9.049 1.00 0.00 C ATOM 1336 CD1 ILE A 84 -9.733 3.879 -9.178 1.00 0.00 C ATOM 0 H ILE A 84 -7.231 0.258 -6.976 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.812 0.074 -8.110 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.517 2.167 -7.501 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.458 2.138 -10.389 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.577 1.917 -9.059 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.971 3.136 -9.095 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.352 1.622 -8.392 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.001 1.634 -10.049 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.546 4.254 -9.800 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.933 4.121 -8.134 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.797 4.345 -9.485 1.00 0.00 H new ATOM 1348 N ASP A 85 -7.577 -1.162 -10.060 1.00 0.00 N ATOM 1349 CA ASP A 85 -7.423 -2.054 -11.220 1.00 0.00 C ATOM 1350 C ASP A 85 -8.489 -3.163 -11.269 1.00 0.00 C ATOM 1351 O ASP A 85 -8.932 -3.578 -12.342 1.00 0.00 O ATOM 1352 CB ASP A 85 -6.029 -2.700 -11.161 1.00 0.00 C ATOM 1353 CG ASP A 85 -5.613 -3.391 -12.473 1.00 0.00 C ATOM 1354 OD1 ASP A 85 -6.006 -2.933 -13.572 1.00 0.00 O ATOM 1355 OD2 ASP A 85 -4.840 -4.377 -12.408 1.00 0.00 O ATOM 0 H ASP A 85 -6.735 -1.099 -9.487 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.547 -1.450 -12.119 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.293 -1.935 -10.914 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.011 -3.432 -10.353 1.00 0.00 H new ATOM 1360 N GLU A 86 -8.926 -3.628 -10.096 1.00 0.00 N ATOM 1361 CA GLU A 86 -9.922 -4.689 -9.948 1.00 0.00 C ATOM 1362 C GLU A 86 -11.350 -4.122 -9.855 1.00 0.00 C ATOM 1363 O GLU A 86 -12.284 -4.736 -10.375 1.00 0.00 O ATOM 1364 CB GLU A 86 -9.532 -5.556 -8.736 1.00 0.00 C ATOM 1365 CG GLU A 86 -10.372 -6.834 -8.642 1.00 0.00 C ATOM 1366 CD GLU A 86 -9.753 -7.920 -7.737 1.00 0.00 C ATOM 1367 OE1 GLU A 86 -9.126 -7.597 -6.698 1.00 0.00 O ATOM 1368 OE2 GLU A 86 -9.926 -9.124 -8.053 1.00 0.00 O ATOM 0 H GLU A 86 -8.589 -3.268 -9.203 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.930 -5.321 -10.836 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.477 -5.821 -8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.654 -4.975 -7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.362 -6.580 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.508 -7.243 -9.643 1.00 0.00 H new ATOM 1375 N ILE A 87 -11.536 -2.916 -9.294 1.00 0.00 N ATOM 1376 CA ILE A 87 -12.835 -2.228 -9.267 1.00 0.00 C ATOM 1377 C ILE A 87 -13.345 -1.972 -10.694 1.00 0.00 C ATOM 1378 O ILE A 87 -14.524 -2.196 -10.974 1.00 0.00 O ATOM 1379 CB ILE A 87 -12.718 -0.913 -8.461 1.00 0.00 C ATOM 1380 CG1 ILE A 87 -12.248 -1.202 -7.016 1.00 0.00 C ATOM 1381 CG2 ILE A 87 -14.063 -0.165 -8.435 1.00 0.00 C ATOM 1382 CD1 ILE A 87 -12.005 0.053 -6.174 1.00 0.00 C ATOM 0 H ILE A 87 -10.786 -2.390 -8.845 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.566 -2.867 -8.771 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.978 -0.282 -8.954 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.996 -1.820 -6.519 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.327 -1.784 -7.055 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -13.956 0.756 -7.863 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.366 0.074 -9.454 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.821 -0.795 -7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.678 -0.237 -5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -11.235 0.664 -6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.929 0.627 -6.101 1.00 0.00 H new ATOM 1394 N PHE A 88 -12.462 -1.548 -11.608 1.00 0.00 N ATOM 1395 CA PHE A 88 -12.810 -1.303 -13.015 1.00 0.00 C ATOM 1396 C PHE A 88 -13.292 -2.571 -13.743 1.00 0.00 C ATOM 1397 O PHE A 88 -14.242 -2.511 -14.525 1.00 0.00 O ATOM 1398 CB PHE A 88 -11.601 -0.686 -13.736 1.00 0.00 C ATOM 1399 CG PHE A 88 -11.856 -0.341 -15.194 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -12.468 0.879 -15.553 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -11.494 -1.263 -16.198 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -12.706 1.178 -16.908 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -11.731 -0.961 -17.552 1.00 0.00 C ATOM 1404 CZ PHE A 88 -12.335 0.258 -17.906 1.00 0.00 C ATOM 0 H PHE A 88 -11.482 -1.364 -11.392 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.649 -0.607 -13.033 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.299 0.218 -13.207 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.764 -1.382 -13.680 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.754 1.584 -14.787 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.034 -2.202 -15.927 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.173 2.113 -17.181 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.449 -1.666 -18.320 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.515 0.489 -18.946 1.00 0.00 H new ATOM 1414 N GLU A 89 -12.671 -3.726 -13.475 1.00 0.00 N ATOM 1415 CA GLU A 89 -13.017 -5.001 -14.122 1.00 0.00 C ATOM 1416 C GLU A 89 -14.368 -5.565 -13.657 1.00 0.00 C ATOM 1417 O GLU A 89 -15.173 -5.987 -14.493 1.00 0.00 O ATOM 1418 CB GLU A 89 -11.903 -6.029 -13.864 1.00 0.00 C ATOM 1419 CG GLU A 89 -10.658 -5.773 -14.732 1.00 0.00 C ATOM 1420 CD GLU A 89 -10.462 -6.893 -15.771 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -11.113 -6.855 -16.844 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -9.657 -7.826 -15.524 1.00 0.00 O ATOM 0 H GLU A 89 -11.910 -3.805 -12.800 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.111 -4.803 -15.190 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.621 -5.999 -12.811 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.283 -7.031 -14.064 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.758 -4.815 -15.241 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.776 -5.706 -14.096 1.00 0.00 H new ATOM 1429 N ARG A 90 -14.647 -5.555 -12.343 1.00 0.00 N ATOM 1430 CA ARG A 90 -15.952 -5.948 -11.790 1.00 0.00 C ATOM 1431 C ARG A 90 -17.034 -4.870 -11.935 1.00 0.00 C ATOM 1432 O ARG A 90 -18.209 -5.169 -11.716 1.00 0.00 O ATOM 1433 CB ARG A 90 -15.794 -6.371 -10.321 1.00 0.00 C ATOM 1434 CG ARG A 90 -15.019 -7.685 -10.151 1.00 0.00 C ATOM 1435 CD ARG A 90 -13.498 -7.529 -10.117 1.00 0.00 C ATOM 1436 NE ARG A 90 -12.805 -8.798 -9.825 1.00 0.00 N ATOM 1437 CZ ARG A 90 -12.496 -9.762 -10.675 1.00 0.00 C ATOM 1438 NH1 ARG A 90 -12.921 -9.775 -11.909 1.00 0.00 N ATOM 1439 NH2 ARG A 90 -11.736 -10.744 -10.289 1.00 0.00 N ATOM 0 H ARG A 90 -13.971 -5.273 -11.633 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.299 -6.795 -12.382 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -15.280 -5.580 -9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -16.781 -6.478 -9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.342 -8.165 -9.227 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.284 -8.356 -10.968 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.154 -7.144 -11.077 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.229 -6.790 -9.362 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.532 -8.949 -8.854 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.516 -9.021 -12.251 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.658 -10.539 -12.531 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.381 -10.769 -9.333 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.495 -11.490 -10.942 1.00 0.00 H new ATOM 1453 N GLU A 91 -16.666 -3.641 -12.316 1.00 0.00 N ATOM 1454 CA GLU A 91 -17.553 -2.476 -12.401 1.00 0.00 C ATOM 1455 C GLU A 91 -18.253 -2.190 -11.054 1.00 0.00 C ATOM 1456 O GLU A 91 -19.438 -1.846 -11.005 1.00 0.00 O ATOM 1457 CB GLU A 91 -18.516 -2.592 -13.603 1.00 0.00 C ATOM 1458 CG GLU A 91 -17.818 -2.958 -14.927 1.00 0.00 C ATOM 1459 CD GLU A 91 -18.739 -2.818 -16.157 1.00 0.00 C ATOM 1460 OE1 GLU A 91 -19.987 -2.784 -16.016 1.00 0.00 O ATOM 1461 OE2 GLU A 91 -18.217 -2.711 -17.294 1.00 0.00 O ATOM 0 H GLU A 91 -15.706 -3.423 -12.583 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.944 -1.593 -12.597 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.271 -3.346 -13.380 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.040 -1.645 -13.729 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.945 -2.318 -15.059 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.455 -3.984 -14.868 1.00 0.00 H new ATOM 1468 N LEU A 92 -17.522 -2.381 -9.946 1.00 0.00 N ATOM 1469 CA LEU A 92 -18.001 -2.102 -8.592 1.00 0.00 C ATOM 1470 C LEU A 92 -17.946 -0.603 -8.278 1.00 0.00 C ATOM 1471 O LEU A 92 -17.097 0.138 -8.775 1.00 0.00 O ATOM 1472 CB LEU A 92 -17.164 -2.892 -7.569 1.00 0.00 C ATOM 1473 CG LEU A 92 -17.456 -4.403 -7.569 1.00 0.00 C ATOM 1474 CD1 LEU A 92 -16.443 -5.122 -6.678 1.00 0.00 C ATOM 1475 CD2 LEU A 92 -18.862 -4.732 -7.057 1.00 0.00 C ATOM 0 H LEU A 92 -16.567 -2.739 -9.970 1.00 0.00 H new ATOM 0 HA LEU A 92 -19.042 -2.417 -8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -16.106 -2.735 -7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -17.354 -2.494 -6.572 1.00 0.00 H new ATOM 0 HG LEU A 92 -17.382 -4.738 -8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.652 -6.192 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.436 -4.948 -7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -16.518 -4.739 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -19.014 -5.811 -7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -18.971 -4.371 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.603 -4.248 -7.693 1.00 0.00 H new ATOM 1487 N ASP A 93 -18.850 -0.166 -7.409 1.00 0.00 N ATOM 1488 CA ASP A 93 -18.913 1.210 -6.921 1.00 0.00 C ATOM 1489 C ASP A 93 -18.132 1.366 -5.594 1.00 0.00 C ATOM 1490 O ASP A 93 -17.798 0.380 -4.923 1.00 0.00 O ATOM 1491 CB ASP A 93 -20.384 1.626 -6.756 1.00 0.00 C ATOM 1492 CG ASP A 93 -21.341 1.063 -7.829 1.00 0.00 C ATOM 1493 OD1 ASP A 93 -21.403 1.607 -8.955 1.00 0.00 O ATOM 1494 OD2 ASP A 93 -22.059 0.078 -7.527 1.00 0.00 O ATOM 0 H ASP A 93 -19.574 -0.768 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 93 -18.441 1.869 -7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -20.730 1.302 -5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -20.443 2.714 -6.772 1.00 0.00 H new ATOM 1499 N LEU A 94 -17.887 2.611 -5.169 1.00 0.00 N ATOM 1500 CA LEU A 94 -17.205 2.937 -3.908 1.00 0.00 C ATOM 1501 C LEU A 94 -18.136 3.688 -2.944 1.00 0.00 C ATOM 1502 O LEU A 94 -18.998 4.466 -3.364 1.00 0.00 O ATOM 1503 CB LEU A 94 -15.916 3.727 -4.206 1.00 0.00 C ATOM 1504 CG LEU A 94 -14.756 2.905 -4.812 1.00 0.00 C ATOM 1505 CD1 LEU A 94 -13.515 3.770 -5.012 1.00 0.00 C ATOM 1506 CD2 LEU A 94 -14.357 1.756 -3.891 1.00 0.00 C ATOM 0 H LEU A 94 -18.162 3.437 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.928 2.011 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -16.159 4.539 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.569 4.184 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 94 -15.114 2.523 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.715 3.165 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.750 4.592 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.193 4.171 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -13.539 1.195 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -14.035 2.156 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -15.211 1.096 -3.742 1.00 0.00 H new ATOM 1518 N MET A 95 -17.981 3.424 -1.642 1.00 0.00 N ATOM 1519 CA MET A 95 -18.810 4.019 -0.585 1.00 0.00 C ATOM 1520 C MET A 95 -18.540 5.530 -0.434 1.00 0.00 C ATOM 1521 O MET A 95 -17.411 5.987 -0.633 1.00 0.00 O ATOM 1522 CB MET A 95 -18.578 3.239 0.722 1.00 0.00 C ATOM 1523 CG MET A 95 -19.522 3.659 1.861 1.00 0.00 C ATOM 1524 SD MET A 95 -20.100 2.327 2.957 1.00 0.00 S ATOM 1525 CE MET A 95 -18.547 1.513 3.423 1.00 0.00 C ATOM 0 H MET A 95 -17.269 2.785 -1.288 1.00 0.00 H new ATOM 0 HA MET A 95 -19.863 3.938 -0.854 1.00 0.00 H new ATOM 0 HB2 MET A 95 -18.706 2.174 0.528 1.00 0.00 H new ATOM 0 HB3 MET A 95 -17.546 3.383 1.044 1.00 0.00 H new ATOM 0 HG2 MET A 95 -19.013 4.407 2.469 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.394 4.144 1.422 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.765 0.627 4.020 1.00 0.00 H new ATOM 0 HE2 MET A 95 -18.006 1.220 2.523 1.00 0.00 H new ATOM 0 HE3 MET A 95 -17.936 2.202 4.006 1.00 0.00 H new ATOM 1535 N ARG A 96 -19.571 6.302 -0.046 1.00 0.00 N ATOM 1536 CA ARG A 96 -19.486 7.748 0.213 1.00 0.00 C ATOM 1537 C ARG A 96 -19.980 8.155 1.609 1.00 0.00 C ATOM 1538 O ARG A 96 -20.864 7.536 2.198 1.00 0.00 O ATOM 1539 CB ARG A 96 -20.234 8.549 -0.879 1.00 0.00 C ATOM 1540 CG ARG A 96 -19.316 9.052 -2.006 1.00 0.00 C ATOM 1541 CD ARG A 96 -19.325 8.215 -3.293 1.00 0.00 C ATOM 1542 NE ARG A 96 -20.337 8.672 -4.276 1.00 0.00 N ATOM 1543 CZ ARG A 96 -20.271 9.741 -5.055 1.00 0.00 C ATOM 1544 NH1 ARG A 96 -19.364 10.666 -4.916 1.00 0.00 N ATOM 1545 NH2 ARG A 96 -21.144 9.912 -6.003 1.00 0.00 N ATOM 0 H ARG A 96 -20.508 5.927 0.099 1.00 0.00 H new ATOM 0 HA ARG A 96 -18.425 7.994 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -21.014 7.921 -1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -20.730 9.402 -0.417 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -19.604 10.073 -2.256 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -18.295 9.092 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -18.337 8.255 -3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -19.517 7.172 -3.040 1.00 0.00 H new ATOM 0 HE ARG A 96 -21.177 8.100 -4.362 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -18.662 10.585 -4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -19.356 11.471 -5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -21.881 9.222 -6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -21.092 10.736 -6.602 1.00 0.00 H new ATOM 1559 N VAL A 97 -19.406 9.260 2.085 1.00 0.00 N ATOM 1560 CA VAL A 97 -19.616 9.911 3.393 1.00 0.00 C ATOM 1561 C VAL A 97 -20.921 10.713 3.453 1.00 0.00 C ATOM 1562 O VAL A 97 -21.602 10.722 4.478 1.00 0.00 O ATOM 1563 CB VAL A 97 -18.386 10.809 3.669 1.00 0.00 C ATOM 1564 CG1 VAL A 97 -18.571 11.910 4.714 1.00 0.00 C ATOM 1565 CG2 VAL A 97 -17.195 9.938 4.086 1.00 0.00 C ATOM 0 H VAL A 97 -18.724 9.771 1.524 1.00 0.00 H new ATOM 0 HA VAL A 97 -19.715 9.147 4.164 1.00 0.00 H new ATOM 0 HB VAL A 97 -18.217 11.329 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -17.642 12.471 4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -19.367 12.583 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -18.835 11.462 5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -16.330 10.573 4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -17.448 9.384 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -16.959 9.237 3.285 1.00 0.00 H new ATOM 1575 N ASP A 98 -21.304 11.350 2.343 1.00 0.00 N ATOM 1576 CA ASP A 98 -22.465 12.258 2.262 1.00 0.00 C ATOM 1577 C ASP A 98 -23.775 11.548 1.852 1.00 0.00 C ATOM 1578 O ASP A 98 -24.776 12.193 1.537 1.00 0.00 O ATOM 1579 CB ASP A 98 -22.103 13.406 1.308 1.00 0.00 C ATOM 1580 CG ASP A 98 -23.051 14.615 1.423 1.00 0.00 C ATOM 1581 OD1 ASP A 98 -23.265 15.116 2.554 1.00 0.00 O ATOM 1582 OD2 ASP A 98 -23.544 15.108 0.379 1.00 0.00 O ATOM 0 H ASP A 98 -20.811 11.251 1.456 1.00 0.00 H new ATOM 0 HA ASP A 98 -22.674 12.650 3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.083 13.732 1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -22.119 13.036 0.283 1.00 0.00 H new ATOM 1587 N ASN A 99 -23.770 10.205 1.839 1.00 0.00 N ATOM 1588 CA ASN A 99 -24.857 9.335 1.341 1.00 0.00 C ATOM 1589 C ASN A 99 -25.228 9.638 -0.118 1.00 0.00 C ATOM 1590 O ASN A 99 -26.370 9.485 -0.566 1.00 0.00 O ATOM 1591 CB ASN A 99 -26.019 9.273 2.355 1.00 0.00 C ATOM 1592 CG ASN A 99 -25.579 8.436 3.540 1.00 0.00 C ATOM 1593 OD1 ASN A 99 -25.986 7.297 3.723 1.00 0.00 O ATOM 1594 ND2 ASN A 99 -24.616 8.925 4.284 1.00 0.00 N ATOM 0 H ASN A 99 -22.976 9.669 2.190 1.00 0.00 H new ATOM 0 HA ASN A 99 -24.499 8.307 1.281 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -26.292 10.277 2.681 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -26.904 8.837 1.891 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -24.201 8.355 5.021 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -24.282 9.876 4.126 1.00 0.00 H new ATOM 1601 N LEU A 100 -24.199 10.057 -0.856 1.00 0.00 N ATOM 1602 CA LEU A 100 -24.237 10.229 -2.314 1.00 0.00 C ATOM 1603 C LEU A 100 -24.452 8.882 -3.041 1.00 0.00 C ATOM 1604 O LEU A 100 -24.077 7.829 -2.511 1.00 0.00 O ATOM 1605 CB LEU A 100 -22.926 10.895 -2.776 1.00 0.00 C ATOM 1606 CG LEU A 100 -22.893 12.416 -2.540 1.00 0.00 C ATOM 1607 CD1 LEU A 100 -21.451 12.921 -2.597 1.00 0.00 C ATOM 1608 CD2 LEU A 100 -23.702 13.167 -3.600 1.00 0.00 C ATOM 0 H LEU A 100 -23.294 10.292 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 100 -25.083 10.867 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -22.089 10.436 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -22.782 10.697 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 100 -23.330 12.601 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -21.436 13.998 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -20.861 12.425 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -21.027 12.700 -3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -23.656 14.238 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -23.287 12.963 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -24.740 12.836 -3.567 1.00 0.00 H new ATOM 1620 N PRO A 101 -25.004 8.897 -4.272 1.00 0.00 N ATOM 1621 CA PRO A 101 -25.205 7.695 -5.076 1.00 0.00 C ATOM 1622 C PRO A 101 -23.852 7.096 -5.469 1.00 0.00 C ATOM 1623 O PRO A 101 -22.971 7.793 -5.976 1.00 0.00 O ATOM 1624 CB PRO A 101 -26.035 8.140 -6.285 1.00 0.00 C ATOM 1625 CG PRO A 101 -25.704 9.624 -6.437 1.00 0.00 C ATOM 1626 CD PRO A 101 -25.424 10.081 -5.005 1.00 0.00 C ATOM 0 HA PRO A 101 -25.729 6.906 -4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -25.769 7.578 -7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -27.101 7.984 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -24.839 9.777 -7.083 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -26.534 10.176 -6.879 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -24.647 10.846 -4.986 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -26.315 10.520 -4.556 1.00 0.00 H new ATOM 1634 N ASN A 102 -23.657 5.808 -5.199 1.00 0.00 N ATOM 1635 CA ASN A 102 -22.409 5.109 -5.503 1.00 0.00 C ATOM 1636 C ASN A 102 -22.355 4.779 -7.005 1.00 0.00 C ATOM 1637 O ASN A 102 -23.316 4.238 -7.560 1.00 0.00 O ATOM 1638 CB ASN A 102 -22.298 3.854 -4.621 1.00 0.00 C ATOM 1639 CG ASN A 102 -22.618 4.147 -3.166 1.00 0.00 C ATOM 1640 OD1 ASN A 102 -23.690 3.835 -2.664 1.00 0.00 O ATOM 1641 ND2 ASN A 102 -21.723 4.794 -2.458 1.00 0.00 N ATOM 0 H ASN A 102 -24.363 5.216 -4.761 1.00 0.00 H new ATOM 0 HA ASN A 102 -21.552 5.744 -5.279 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -22.978 3.088 -4.994 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -21.289 3.448 -4.695 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -21.920 5.038 -1.487 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -20.830 5.053 -2.878 1.00 0.00 H new ATOM 1648 N ILE A 103 -21.229 5.100 -7.651 1.00 0.00 N ATOM 1649 CA ILE A 103 -21.012 4.918 -9.096 1.00 0.00 C ATOM 1650 C ILE A 103 -19.576 4.469 -9.382 1.00 0.00 C ATOM 1651 O ILE A 103 -18.604 5.081 -8.930 1.00 0.00 O ATOM 1652 CB ILE A 103 -21.364 6.191 -9.907 1.00 0.00 C ATOM 1653 CG1 ILE A 103 -21.001 7.489 -9.157 1.00 0.00 C ATOM 1654 CG2 ILE A 103 -22.854 6.179 -10.290 1.00 0.00 C ATOM 1655 CD1 ILE A 103 -21.037 8.750 -10.023 1.00 0.00 C ATOM 0 H ILE A 103 -20.422 5.503 -7.175 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.692 4.131 -9.423 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.760 6.176 -10.814 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -21.690 7.617 -8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -20.002 7.382 -8.733 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -23.091 7.078 -10.859 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -23.067 5.299 -10.897 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -23.462 6.152 -9.386 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -20.769 9.615 -9.417 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -20.327 8.648 -10.844 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -22.041 8.886 -10.426 1.00 0.00 H new ATOM 1667 N LYS A 104 -19.463 3.374 -10.136 1.00 0.00 N ATOM 1668 CA LYS A 104 -18.219 2.802 -10.669 1.00 0.00 C ATOM 1669 C LYS A 104 -17.463 3.760 -11.599 1.00 0.00 C ATOM 1670 O LYS A 104 -17.990 4.776 -12.056 1.00 0.00 O ATOM 1671 CB LYS A 104 -18.525 1.419 -11.293 1.00 0.00 C ATOM 1672 CG LYS A 104 -19.500 1.362 -12.484 1.00 0.00 C ATOM 1673 CD LYS A 104 -18.821 1.557 -13.846 1.00 0.00 C ATOM 1674 CE LYS A 104 -19.828 1.635 -15.006 1.00 0.00 C ATOM 1675 NZ LYS A 104 -20.482 0.334 -15.316 1.00 0.00 N ATOM 0 H LYS A 104 -20.282 2.830 -10.408 1.00 0.00 H new ATOM 0 HA LYS A 104 -17.518 2.649 -9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -17.580 0.981 -11.614 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -18.922 0.778 -10.506 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -20.012 0.400 -12.477 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.263 2.130 -12.355 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.227 2.471 -13.824 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -18.131 0.733 -14.024 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -20.596 2.369 -14.761 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -19.315 1.996 -15.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -21.147 0.459 -16.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.758 -0.364 -15.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -20.999 -0.003 -14.479 1.00 0.00 H new ATOM 1689 N ILE A 105 -16.209 3.412 -11.884 1.00 0.00 N ATOM 1690 CA ILE A 105 -15.304 4.157 -12.776 1.00 0.00 C ATOM 1691 C ILE A 105 -15.899 4.207 -14.194 1.00 0.00 C ATOM 1692 O ILE A 105 -16.061 3.176 -14.852 1.00 0.00 O ATOM 1693 CB ILE A 105 -13.928 3.450 -12.805 1.00 0.00 C ATOM 1694 CG1 ILE A 105 -13.287 3.273 -11.409 1.00 0.00 C ATOM 1695 CG2 ILE A 105 -12.939 4.180 -13.730 1.00 0.00 C ATOM 1696 CD1 ILE A 105 -12.565 1.943 -11.244 1.00 0.00 C ATOM 0 H ILE A 105 -15.775 2.577 -11.490 1.00 0.00 H new ATOM 0 HA ILE A 105 -15.182 5.176 -12.409 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.133 2.453 -13.196 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.582 4.086 -11.235 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -14.062 3.355 -10.647 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.983 3.656 -13.726 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.337 4.201 -14.744 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.795 5.201 -13.376 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -12.138 1.882 -10.243 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -13.271 1.125 -11.387 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.768 1.868 -11.984 1.00 0.00 H new ATOM 1708 N ALA A 106 -16.221 5.409 -14.663 1.00 0.00 N ATOM 1709 CA ALA A 106 -16.771 5.642 -16.000 1.00 0.00 C ATOM 1710 C ALA A 106 -15.701 5.486 -17.086 1.00 0.00 C ATOM 1711 O ALA A 106 -15.948 4.875 -18.131 1.00 0.00 O ATOM 1712 CB ALA A 106 -17.353 7.056 -16.046 1.00 0.00 C ATOM 0 H ALA A 106 -16.106 6.264 -14.118 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.546 4.901 -16.195 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -17.768 7.247 -17.036 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -18.141 7.150 -15.298 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -16.566 7.780 -15.836 1.00 0.00 H new ATOM 1718 N THR A 107 -14.506 6.019 -16.817 1.00 0.00 N ATOM 1719 CA THR A 107 -13.350 5.997 -17.723 1.00 0.00 C ATOM 1720 C THR A 107 -12.036 5.966 -16.945 1.00 0.00 C ATOM 1721 O THR A 107 -11.897 6.559 -15.869 1.00 0.00 O ATOM 1722 CB THR A 107 -13.325 7.200 -18.695 1.00 0.00 C ATOM 1723 OG1 THR A 107 -13.652 8.415 -18.055 1.00 0.00 O ATOM 1724 CG2 THR A 107 -14.299 7.040 -19.861 1.00 0.00 C ATOM 0 H THR A 107 -14.308 6.493 -15.936 1.00 0.00 H new ATOM 0 HA THR A 107 -13.456 5.085 -18.311 1.00 0.00 H new ATOM 0 HB THR A 107 -12.300 7.225 -19.064 1.00 0.00 H new ATOM 0 HG1 THR A 107 -13.622 9.146 -18.707 1.00 0.00 H new ATOM 0 HG21 THR A 107 -14.237 7.914 -20.509 1.00 0.00 H new ATOM 0 HG22 THR A 107 -14.041 6.147 -20.430 1.00 0.00 H new ATOM 0 HG23 THR A 107 -15.314 6.944 -19.476 1.00 0.00 H new ATOM 1732 N ARG A 108 -11.057 5.268 -17.529 1.00 0.00 N ATOM 1733 CA ARG A 108 -9.689 5.103 -17.025 1.00 0.00 C ATOM 1734 C ARG A 108 -8.704 5.082 -18.194 1.00 0.00 C ATOM 1735 O ARG A 108 -8.982 4.479 -19.232 1.00 0.00 O ATOM 1736 CB ARG A 108 -9.629 3.814 -16.171 1.00 0.00 C ATOM 1737 CG ARG A 108 -8.210 3.362 -15.775 1.00 0.00 C ATOM 1738 CD ARG A 108 -7.575 2.392 -16.791 1.00 0.00 C ATOM 1739 NE ARG A 108 -8.057 1.008 -16.612 1.00 0.00 N ATOM 1740 CZ ARG A 108 -7.661 -0.056 -17.296 1.00 0.00 C ATOM 1741 NH1 ARG A 108 -6.817 0.030 -18.286 1.00 0.00 N ATOM 1742 NH2 ARG A 108 -8.077 -1.243 -16.970 1.00 0.00 N ATOM 0 H ARG A 108 -11.204 4.778 -18.411 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.404 5.942 -16.390 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.211 3.970 -15.263 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -10.110 3.007 -16.723 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.572 4.240 -15.673 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.249 2.880 -14.798 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.803 2.727 -17.803 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.490 2.415 -16.684 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.763 0.856 -15.892 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.439 0.938 -18.557 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.535 -0.811 -18.790 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.714 -1.362 -16.182 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.767 -2.056 -17.502 1.00 0.00 H new ATOM 1756 N LYS A 109 -7.534 5.687 -17.976 1.00 0.00 N ATOM 1757 CA LYS A 109 -6.337 5.637 -18.833 1.00 0.00 C ATOM 1758 C LYS A 109 -5.078 5.912 -18.008 1.00 0.00 C ATOM 1759 O LYS A 109 -5.119 6.644 -17.017 1.00 0.00 O ATOM 1760 CB LYS A 109 -6.424 6.687 -19.965 1.00 0.00 C ATOM 1761 CG LYS A 109 -7.214 6.190 -21.190 1.00 0.00 C ATOM 1762 CD LYS A 109 -6.905 6.975 -22.473 1.00 0.00 C ATOM 1763 CE LYS A 109 -5.460 6.737 -22.938 1.00 0.00 C ATOM 1764 NZ LYS A 109 -5.179 7.402 -24.238 1.00 0.00 N ATOM 0 H LYS A 109 -7.383 6.261 -17.147 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.285 4.639 -19.268 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -6.895 7.591 -19.579 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -5.416 6.961 -20.277 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.990 5.136 -21.355 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.281 6.260 -20.978 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -7.597 6.676 -23.260 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -7.062 8.039 -22.298 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.769 7.111 -22.182 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.281 5.666 -23.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.194 7.217 -24.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.821 7.027 -24.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.325 8.427 -24.142 1.00 0.00 H new ATOM 1778 N TYR A 110 -3.955 5.345 -18.441 1.00 0.00 N ATOM 1779 CA TYR A 110 -2.630 5.683 -17.920 1.00 0.00 C ATOM 1780 C TYR A 110 -2.264 7.125 -18.305 1.00 0.00 C ATOM 1781 O TYR A 110 -2.391 7.505 -19.474 1.00 0.00 O ATOM 1782 CB TYR A 110 -1.590 4.702 -18.487 1.00 0.00 C ATOM 1783 CG TYR A 110 -0.177 4.888 -17.957 1.00 0.00 C ATOM 1784 CD1 TYR A 110 0.040 5.136 -16.589 1.00 0.00 C ATOM 1785 CD2 TYR A 110 0.928 4.804 -18.830 1.00 0.00 C ATOM 1786 CE1 TYR A 110 1.340 5.323 -16.100 1.00 0.00 C ATOM 1787 CE2 TYR A 110 2.239 4.956 -18.335 1.00 0.00 C ATOM 1788 CZ TYR A 110 2.449 5.217 -16.963 1.00 0.00 C ATOM 1789 OH TYR A 110 3.708 5.372 -16.473 1.00 0.00 O ATOM 0 H TYR A 110 -3.937 4.632 -19.170 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.640 5.605 -16.833 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -1.914 3.685 -18.267 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.571 4.803 -19.572 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.800 5.183 -15.912 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.769 4.622 -19.883 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.493 5.550 -15.055 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.082 4.873 -19.004 1.00 0.00 H new ATOM 0 HH TYR A 110 4.357 5.267 -17.200 1.00 0.00 H new ATOM 1799 N LEU A 111 -1.804 7.926 -17.338 1.00 0.00 N ATOM 1800 CA LEU A 111 -1.360 9.304 -17.586 1.00 0.00 C ATOM 1801 C LEU A 111 0.160 9.397 -17.721 1.00 0.00 C ATOM 1802 O LEU A 111 0.670 10.074 -18.618 1.00 0.00 O ATOM 1803 CB LEU A 111 -1.816 10.197 -16.421 1.00 0.00 C ATOM 1804 CG LEU A 111 -3.336 10.367 -16.336 1.00 0.00 C ATOM 1805 CD1 LEU A 111 -3.683 11.118 -15.058 1.00 0.00 C ATOM 1806 CD2 LEU A 111 -3.872 11.171 -17.520 1.00 0.00 C ATOM 0 H LEU A 111 -1.729 7.639 -16.362 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.803 9.636 -18.525 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.454 9.772 -15.485 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.354 11.179 -16.525 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.788 9.375 -16.346 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.764 11.243 -14.991 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.329 10.552 -14.196 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.205 12.098 -15.070 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.953 11.274 -17.430 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.413 12.159 -17.526 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.633 10.654 -18.449 1.00 0.00 H new ATOM 1818 N GLY A 112 0.872 8.730 -16.815 1.00 0.00 N ATOM 1819 CA GLY A 112 2.327 8.780 -16.717 1.00 0.00 C ATOM 1820 C GLY A 112 2.812 8.603 -15.281 1.00 0.00 C ATOM 1821 O GLY A 112 2.192 7.900 -14.481 1.00 0.00 O ATOM 0 H GLY A 112 0.443 8.127 -16.114 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.759 8.000 -17.344 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.683 9.734 -17.105 1.00 0.00 H new ATOM 1825 N LYS A 113 3.914 9.271 -14.931 1.00 0.00 N ATOM 1826 CA LYS A 113 4.650 9.043 -13.678 1.00 0.00 C ATOM 1827 C LYS A 113 4.785 10.326 -12.858 1.00 0.00 C ATOM 1828 O LYS A 113 5.653 11.168 -13.093 1.00 0.00 O ATOM 1829 CB LYS A 113 5.999 8.366 -13.973 1.00 0.00 C ATOM 1830 CG LYS A 113 6.383 7.405 -12.838 1.00 0.00 C ATOM 1831 CD LYS A 113 7.841 6.914 -12.881 1.00 0.00 C ATOM 1832 CE LYS A 113 8.132 5.774 -13.870 1.00 0.00 C ATOM 1833 NZ LYS A 113 8.192 6.218 -15.291 1.00 0.00 N ATOM 0 H LYS A 113 4.329 9.996 -15.516 1.00 0.00 H new ATOM 0 HA LYS A 113 4.076 8.359 -13.052 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.939 7.820 -14.914 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.773 9.124 -14.093 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.209 7.902 -11.884 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.721 6.540 -12.872 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.482 7.759 -13.131 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.123 6.584 -11.881 1.00 0.00 H new ATOM 0 HE2 LYS A 113 9.080 5.306 -13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.361 5.011 -13.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.766 5.547 -15.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 7.230 6.253 -15.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.621 7.164 -15.341 1.00 0.00 H new ATOM 1847 N GLN A 114 3.849 10.488 -11.932 1.00 0.00 N ATOM 1848 CA GLN A 114 3.653 11.696 -11.125 1.00 0.00 C ATOM 1849 C GLN A 114 4.027 11.415 -9.666 1.00 0.00 C ATOM 1850 O GLN A 114 3.979 10.272 -9.202 1.00 0.00 O ATOM 1851 CB GLN A 114 2.203 12.190 -11.245 1.00 0.00 C ATOM 1852 CG GLN A 114 1.789 12.033 -12.706 1.00 0.00 C ATOM 1853 CD GLN A 114 0.531 12.728 -13.133 1.00 0.00 C ATOM 1854 OE1 GLN A 114 0.065 13.722 -12.592 1.00 0.00 O ATOM 1855 NE2 GLN A 114 0.012 12.259 -14.239 1.00 0.00 N ATOM 0 H GLN A 114 3.176 9.755 -11.710 1.00 0.00 H new ATOM 0 HA GLN A 114 4.305 12.486 -11.498 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.545 11.613 -10.595 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.125 13.232 -10.933 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.605 12.395 -13.331 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.676 10.969 -12.914 1.00 0.00 H new ATOM 0 HE21 GLN A 114 0.411 11.430 -14.678 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.792 12.723 -14.662 1.00 0.00 H new ATOM 1864 N ASN A 115 4.383 12.458 -8.922 1.00 0.00 N ATOM 1865 CA ASN A 115 4.639 12.367 -7.503 1.00 0.00 C ATOM 1866 C ASN A 115 3.362 11.981 -6.747 1.00 0.00 C ATOM 1867 O ASN A 115 2.383 12.733 -6.749 1.00 0.00 O ATOM 1868 CB ASN A 115 5.234 13.702 -7.016 1.00 0.00 C ATOM 1869 CG ASN A 115 6.278 13.481 -5.947 1.00 0.00 C ATOM 1870 OD1 ASN A 115 7.361 14.054 -5.973 1.00 0.00 O ATOM 1871 ND2 ASN A 115 6.027 12.599 -5.009 1.00 0.00 N ATOM 0 H ASN A 115 4.501 13.398 -9.300 1.00 0.00 H new ATOM 0 HA ASN A 115 5.364 11.579 -7.302 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.679 14.233 -7.858 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.438 14.336 -6.625 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.733 12.391 -4.303 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.126 12.121 -4.986 1.00 0.00 H new ATOM 1878 N VAL A 116 3.394 10.828 -6.072 1.00 0.00 N ATOM 1879 CA VAL A 116 2.273 10.346 -5.257 1.00 0.00 C ATOM 1880 C VAL A 116 2.699 10.102 -3.807 1.00 0.00 C ATOM 1881 O VAL A 116 3.857 9.781 -3.523 1.00 0.00 O ATOM 1882 CB VAL A 116 1.604 9.111 -5.889 1.00 0.00 C ATOM 1883 CG1 VAL A 116 0.916 9.432 -7.212 1.00 0.00 C ATOM 1884 CG2 VAL A 116 2.575 7.955 -6.151 1.00 0.00 C ATOM 0 H VAL A 116 4.199 10.201 -6.075 1.00 0.00 H new ATOM 0 HA VAL A 116 1.518 11.132 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 116 0.871 8.805 -5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.461 8.527 -7.614 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.144 10.184 -7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.651 9.815 -7.921 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.035 7.120 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.359 8.285 -6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.024 7.636 -5.210 1.00 0.00 H new ATOM 1894 N TYR A 117 1.745 10.266 -2.892 1.00 0.00 N ATOM 1895 CA TYR A 117 1.946 10.280 -1.443 1.00 0.00 C ATOM 1896 C TYR A 117 0.839 9.501 -0.713 1.00 0.00 C ATOM 1897 O TYR A 117 -0.256 9.307 -1.250 1.00 0.00 O ATOM 1898 CB TYR A 117 1.947 11.737 -0.956 1.00 0.00 C ATOM 1899 CG TYR A 117 2.723 12.723 -1.809 1.00 0.00 C ATOM 1900 CD1 TYR A 117 2.084 13.362 -2.892 1.00 0.00 C ATOM 1901 CD2 TYR A 117 4.068 13.015 -1.514 1.00 0.00 C ATOM 1902 CE1 TYR A 117 2.778 14.316 -3.659 1.00 0.00 C ATOM 1903 CE2 TYR A 117 4.762 13.976 -2.272 1.00 0.00 C ATOM 1904 CZ TYR A 117 4.112 14.643 -3.333 1.00 0.00 C ATOM 1905 OH TYR A 117 4.775 15.596 -4.042 1.00 0.00 O ATOM 0 H TYR A 117 0.767 10.399 -3.151 1.00 0.00 H new ATOM 0 HA TYR A 117 2.899 9.799 -1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.914 12.078 -0.891 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.355 11.761 0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 117 1.060 13.119 -3.133 1.00 0.00 H new ATOM 0 HD2 TYR A 117 4.567 12.501 -0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 117 2.291 14.797 -4.495 1.00 0.00 H new ATOM 0 HE2 TYR A 117 5.792 14.203 -2.042 1.00 0.00 H new ATOM 0 HH TYR A 117 5.682 15.697 -3.685 1.00 0.00 H new ATOM 1915 N ASP A 118 1.107 9.078 0.520 1.00 0.00 N ATOM 1916 CA ASP A 118 0.176 8.316 1.354 1.00 0.00 C ATOM 1917 C ASP A 118 0.532 8.471 2.839 1.00 0.00 C ATOM 1918 O ASP A 118 1.595 8.058 3.300 1.00 0.00 O ATOM 1919 CB ASP A 118 0.114 6.836 0.930 1.00 0.00 C ATOM 1920 CG ASP A 118 1.433 6.040 1.048 1.00 0.00 C ATOM 1921 OD1 ASP A 118 2.430 6.384 0.369 1.00 0.00 O ATOM 1922 OD2 ASP A 118 1.443 4.999 1.754 1.00 0.00 O ATOM 0 H ASP A 118 1.999 9.259 0.980 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.823 8.725 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.643 6.337 1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.224 6.789 -0.105 1.00 0.00 H new ATOM 1927 N ILE A 119 -0.356 9.106 3.607 1.00 0.00 N ATOM 1928 CA ILE A 119 -0.207 9.207 5.064 1.00 0.00 C ATOM 1929 C ILE A 119 -0.378 7.831 5.730 1.00 0.00 C ATOM 1930 O ILE A 119 -1.062 6.945 5.206 1.00 0.00 O ATOM 1931 CB ILE A 119 -1.168 10.262 5.655 1.00 0.00 C ATOM 1932 CG1 ILE A 119 -2.653 9.954 5.348 1.00 0.00 C ATOM 1933 CG2 ILE A 119 -0.744 11.651 5.138 1.00 0.00 C ATOM 1934 CD1 ILE A 119 -3.632 10.778 6.188 1.00 0.00 C ATOM 0 H ILE A 119 -1.193 9.562 3.242 1.00 0.00 H new ATOM 0 HA ILE A 119 0.806 9.547 5.279 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.094 10.239 6.742 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.844 10.143 4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.840 8.894 5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.412 12.410 5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.278 11.860 5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.798 11.666 4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.655 10.511 5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.467 10.571 7.246 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.472 11.839 5.996 1.00 0.00 H new ATOM 1946 N GLY A 120 0.220 7.667 6.909 1.00 0.00 N ATOM 1947 CA GLY A 120 0.103 6.470 7.743 1.00 0.00 C ATOM 1948 C GLY A 120 -0.702 6.748 9.012 1.00 0.00 C ATOM 1949 O GLY A 120 -0.736 7.879 9.507 1.00 0.00 O ATOM 0 H GLY A 120 0.817 8.383 7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -0.377 5.674 7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 120 1.098 6.114 8.012 1.00 0.00 H new ATOM 1953 N VAL A 121 -1.356 5.715 9.544 1.00 0.00 N ATOM 1954 CA VAL A 121 -2.320 5.807 10.658 1.00 0.00 C ATOM 1955 C VAL A 121 -2.252 4.536 11.521 1.00 0.00 C ATOM 1956 O VAL A 121 -2.078 3.436 10.998 1.00 0.00 O ATOM 1957 CB VAL A 121 -3.750 5.975 10.114 1.00 0.00 C ATOM 1958 CG1 VAL A 121 -4.734 6.261 11.250 1.00 0.00 C ATOM 1959 CG2 VAL A 121 -3.921 7.105 9.084 1.00 0.00 C ATOM 0 H VAL A 121 -1.231 4.760 9.207 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.062 6.674 11.266 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.954 5.027 9.616 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.738 6.376 10.841 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.723 5.432 11.958 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.443 7.179 11.761 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.960 7.146 8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.645 8.056 9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.279 6.914 8.224 1.00 0.00 H new ATOM 1969 N GLU A 122 -2.388 4.670 12.845 1.00 0.00 N ATOM 1970 CA GLU A 122 -2.279 3.543 13.788 1.00 0.00 C ATOM 1971 C GLU A 122 -3.569 2.701 13.889 1.00 0.00 C ATOM 1972 O GLU A 122 -3.504 1.469 13.811 1.00 0.00 O ATOM 1973 CB GLU A 122 -1.874 4.100 15.165 1.00 0.00 C ATOM 1974 CG GLU A 122 -1.762 3.016 16.247 1.00 0.00 C ATOM 1975 CD GLU A 122 -1.166 3.561 17.561 1.00 0.00 C ATOM 1976 OE1 GLU A 122 -1.630 4.613 18.067 1.00 0.00 O ATOM 1977 OE2 GLU A 122 -0.239 2.924 18.118 1.00 0.00 O ATOM 0 H GLU A 122 -2.577 5.564 13.297 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.518 2.859 13.412 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -0.917 4.614 15.075 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -2.607 4.843 15.479 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.750 2.599 16.444 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.139 2.201 15.879 1.00 0.00 H new ATOM 1984 N ARG A 123 -4.735 3.342 14.077 1.00 0.00 N ATOM 1985 CA ARG A 123 -6.019 2.656 14.344 1.00 0.00 C ATOM 1986 C ARG A 123 -6.550 1.888 13.130 1.00 0.00 C ATOM 1987 O ARG A 123 -6.842 0.696 13.224 1.00 0.00 O ATOM 1988 CB ARG A 123 -7.083 3.671 14.818 1.00 0.00 C ATOM 1989 CG ARG A 123 -7.544 3.410 16.255 1.00 0.00 C ATOM 1990 CD ARG A 123 -8.833 4.190 16.577 1.00 0.00 C ATOM 1991 NE ARG A 123 -10.043 3.347 16.451 1.00 0.00 N ATOM 1992 CZ ARG A 123 -10.452 2.430 17.315 1.00 0.00 C ATOM 1993 NH1 ARG A 123 -9.787 2.151 18.405 1.00 0.00 N ATOM 1994 NH2 ARG A 123 -11.547 1.762 17.111 1.00 0.00 N ATOM 0 H ARG A 123 -4.818 4.358 14.049 1.00 0.00 H new ATOM 0 HA ARG A 123 -5.821 1.926 15.129 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -6.675 4.679 14.748 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -7.944 3.629 14.150 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -7.717 2.343 16.396 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -6.757 3.700 16.951 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -8.772 4.586 17.591 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -8.916 5.044 15.905 1.00 0.00 H new ATOM 0 HE ARG A 123 -10.617 3.485 15.619 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -8.920 2.646 18.615 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -10.135 1.438 19.046 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -12.105 1.940 16.276 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -11.849 1.059 17.786 1.00 0.00 H new ATOM 2008 N ASP A 124 -6.648 2.578 11.996 1.00 0.00 N ATOM 2009 CA ASP A 124 -7.119 2.072 10.705 1.00 0.00 C ATOM 2010 C ASP A 124 -6.408 2.844 9.584 1.00 0.00 C ATOM 2011 O ASP A 124 -6.439 4.076 9.559 1.00 0.00 O ATOM 2012 CB ASP A 124 -8.639 2.271 10.559 1.00 0.00 C ATOM 2013 CG ASP A 124 -9.488 1.316 11.412 1.00 0.00 C ATOM 2014 OD1 ASP A 124 -9.430 0.084 11.172 1.00 0.00 O ATOM 2015 OD2 ASP A 124 -10.267 1.795 12.273 1.00 0.00 O ATOM 0 H ASP A 124 -6.386 3.563 11.949 1.00 0.00 H new ATOM 0 HA ASP A 124 -6.898 1.006 10.643 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -8.887 3.298 10.829 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.911 2.143 9.511 1.00 0.00 H new ATOM 2020 N HIS A 125 -5.764 2.129 8.656 1.00 0.00 N ATOM 2021 CA HIS A 125 -5.033 2.700 7.515 1.00 0.00 C ATOM 2022 C HIS A 125 -5.987 3.206 6.405 1.00 0.00 C ATOM 2023 O HIS A 125 -5.970 2.713 5.275 1.00 0.00 O ATOM 2024 CB HIS A 125 -4.016 1.673 6.986 1.00 0.00 C ATOM 2025 CG HIS A 125 -2.863 1.363 7.913 1.00 0.00 C ATOM 2026 ND1 HIS A 125 -1.589 1.885 7.827 1.00 0.00 N ATOM 2027 CD2 HIS A 125 -2.846 0.432 8.920 1.00 0.00 C ATOM 2028 CE1 HIS A 125 -0.826 1.291 8.762 1.00 0.00 C ATOM 2029 NE2 HIS A 125 -1.548 0.387 9.452 1.00 0.00 N ATOM 0 H HIS A 125 -5.735 1.110 8.676 1.00 0.00 H new ATOM 0 HA HIS A 125 -4.487 3.579 7.858 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -4.544 0.745 6.767 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -3.612 2.040 6.042 1.00 0.00 H new ATOM 0 HD2 HIS A 125 -3.686 -0.163 9.247 1.00 0.00 H new ATOM 0 HE1 HIS A 125 0.218 1.508 8.935 1.00 0.00 H new ATOM 0 HE2 HIS A 125 -1.217 -0.211 10.210 1.00 0.00 H new ATOM 2037 N ASN A 126 -6.870 4.151 6.728 1.00 0.00 N ATOM 2038 CA ASN A 126 -7.860 4.748 5.825 1.00 0.00 C ATOM 2039 C ASN A 126 -8.176 6.221 6.171 1.00 0.00 C ATOM 2040 O ASN A 126 -7.827 6.717 7.247 1.00 0.00 O ATOM 2041 CB ASN A 126 -9.130 3.866 5.823 1.00 0.00 C ATOM 2042 CG ASN A 126 -9.919 3.875 7.124 1.00 0.00 C ATOM 2043 OD1 ASN A 126 -9.483 4.337 8.168 1.00 0.00 O ATOM 2044 ND2 ASN A 126 -11.135 3.381 7.104 1.00 0.00 N ATOM 0 H ASN A 126 -6.919 4.541 7.669 1.00 0.00 H new ATOM 0 HA ASN A 126 -7.439 4.777 4.820 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.784 4.198 5.016 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.841 2.839 5.597 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -11.702 3.386 7.952 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -11.513 2.992 6.240 1.00 0.00 H new ATOM 2051 N PHE A 127 -8.834 6.924 5.241 1.00 0.00 N ATOM 2052 CA PHE A 127 -9.189 8.347 5.365 1.00 0.00 C ATOM 2053 C PHE A 127 -10.182 8.794 4.276 1.00 0.00 C ATOM 2054 O PHE A 127 -10.146 8.307 3.141 1.00 0.00 O ATOM 2055 CB PHE A 127 -7.927 9.237 5.329 1.00 0.00 C ATOM 2056 CG PHE A 127 -6.937 8.905 4.226 1.00 0.00 C ATOM 2057 CD1 PHE A 127 -7.155 9.380 2.919 1.00 0.00 C ATOM 2058 CD2 PHE A 127 -5.817 8.093 4.498 1.00 0.00 C ATOM 2059 CE1 PHE A 127 -6.272 9.024 1.887 1.00 0.00 C ATOM 2060 CE2 PHE A 127 -4.933 7.737 3.463 1.00 0.00 C ATOM 2061 CZ PHE A 127 -5.164 8.199 2.155 1.00 0.00 C ATOM 0 H PHE A 127 -9.142 6.512 4.360 1.00 0.00 H new ATOM 0 HA PHE A 127 -9.679 8.466 6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -8.237 10.276 5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -7.418 9.158 6.289 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -8.001 10.018 2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -5.637 7.743 5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -6.444 9.385 0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.079 7.110 3.673 1.00 0.00 H new ATOM 0 HZ PHE A 127 -4.492 7.921 1.357 1.00 0.00 H new ATOM 2071 N ALA A 128 -11.066 9.733 4.621 1.00 0.00 N ATOM 2072 CA ALA A 128 -12.018 10.345 3.693 1.00 0.00 C ATOM 2073 C ALA A 128 -11.357 11.333 2.699 1.00 0.00 C ATOM 2074 O ALA A 128 -10.238 11.813 2.907 1.00 0.00 O ATOM 2075 CB ALA A 128 -13.130 11.034 4.500 1.00 0.00 C ATOM 0 H ALA A 128 -11.141 10.096 5.571 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.439 9.550 3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.844 11.493 3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.642 10.296 5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.694 11.802 5.139 1.00 0.00 H new ATOM 2081 N LEU A 129 -12.096 11.690 1.645 1.00 0.00 N ATOM 2082 CA LEU A 129 -11.695 12.574 0.540 1.00 0.00 C ATOM 2083 C LEU A 129 -12.753 13.667 0.273 1.00 0.00 C ATOM 2084 O LEU A 129 -13.906 13.537 0.694 1.00 0.00 O ATOM 2085 CB LEU A 129 -11.518 11.693 -0.712 1.00 0.00 C ATOM 2086 CG LEU A 129 -10.287 10.763 -0.710 1.00 0.00 C ATOM 2087 CD1 LEU A 129 -10.384 9.701 -1.806 1.00 0.00 C ATOM 2088 CD2 LEU A 129 -9.039 11.577 -1.002 1.00 0.00 C ATOM 0 H LEU A 129 -13.051 11.350 1.531 1.00 0.00 H new ATOM 0 HA LEU A 129 -10.768 13.086 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -12.412 11.081 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -11.457 12.343 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 129 -10.245 10.285 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -9.500 9.064 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -11.275 9.094 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -10.446 10.187 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.168 10.921 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -9.134 12.052 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -8.917 12.343 -0.236 1.00 0.00 H new ATOM 2100 N LYS A 130 -12.394 14.721 -0.483 1.00 0.00 N ATOM 2101 CA LYS A 130 -13.285 15.870 -0.793 1.00 0.00 C ATOM 2102 C LYS A 130 -14.638 15.507 -1.419 1.00 0.00 C ATOM 2103 O LYS A 130 -15.638 16.181 -1.179 1.00 0.00 O ATOM 2104 CB LYS A 130 -12.554 16.911 -1.667 1.00 0.00 C ATOM 2105 CG LYS A 130 -12.373 16.498 -3.140 1.00 0.00 C ATOM 2106 CD LYS A 130 -11.631 17.512 -4.026 1.00 0.00 C ATOM 2107 CE LYS A 130 -12.459 18.729 -4.480 1.00 0.00 C ATOM 2108 NZ LYS A 130 -12.584 19.785 -3.439 1.00 0.00 N ATOM 0 H LYS A 130 -11.469 14.806 -0.903 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.528 16.296 0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -13.108 17.849 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -11.572 17.104 -1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -11.832 15.552 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.357 16.317 -3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -10.757 17.872 -3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -11.264 16.994 -4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -11.999 19.160 -5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -13.456 18.393 -4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -12.690 20.713 -3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -13.418 19.593 -2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -11.732 19.788 -2.843 1.00 0.00 H new ATOM 2122 N ASN A 131 -14.659 14.434 -2.213 1.00 0.00 N ATOM 2123 CA ASN A 131 -15.834 13.940 -2.947 1.00 0.00 C ATOM 2124 C ASN A 131 -16.705 12.984 -2.097 1.00 0.00 C ATOM 2125 O ASN A 131 -17.585 12.296 -2.621 1.00 0.00 O ATOM 2126 CB ASN A 131 -15.319 13.275 -4.241 1.00 0.00 C ATOM 2127 CG ASN A 131 -14.591 14.245 -5.161 1.00 0.00 C ATOM 2128 OD1 ASN A 131 -15.122 15.261 -5.585 1.00 0.00 O ATOM 2129 ND2 ASN A 131 -13.342 13.978 -5.474 1.00 0.00 N ATOM 0 H ASN A 131 -13.829 13.862 -2.370 1.00 0.00 H new ATOM 0 HA ASN A 131 -16.497 14.770 -3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -14.647 12.457 -3.980 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -16.161 12.837 -4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -12.817 14.618 -6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -12.898 13.130 -5.121 1.00 0.00 H new ATOM 2136 N GLY A 132 -16.410 12.877 -0.795 1.00 0.00 N ATOM 2137 CA GLY A 132 -17.017 11.932 0.145 1.00 0.00 C ATOM 2138 C GLY A 132 -16.429 10.517 0.076 1.00 0.00 C ATOM 2139 O GLY A 132 -16.893 9.650 0.804 1.00 0.00 O ATOM 0 H GLY A 132 -15.712 13.473 -0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -16.896 12.315 1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -18.088 11.879 -0.050 1.00 0.00 H new ATOM 2143 N PHE A 133 -15.450 10.260 -0.795 1.00 0.00 N ATOM 2144 CA PHE A 133 -14.801 8.950 -0.964 1.00 0.00 C ATOM 2145 C PHE A 133 -13.968 8.529 0.256 1.00 0.00 C ATOM 2146 O PHE A 133 -13.638 9.363 1.096 1.00 0.00 O ATOM 2147 CB PHE A 133 -13.913 9.009 -2.214 1.00 0.00 C ATOM 2148 CG PHE A 133 -14.647 8.676 -3.480 1.00 0.00 C ATOM 2149 CD1 PHE A 133 -15.546 9.593 -4.051 1.00 0.00 C ATOM 2150 CD2 PHE A 133 -14.431 7.427 -4.077 1.00 0.00 C ATOM 2151 CE1 PHE A 133 -16.234 9.260 -5.231 1.00 0.00 C ATOM 2152 CE2 PHE A 133 -15.143 7.092 -5.232 1.00 0.00 C ATOM 2153 CZ PHE A 133 -16.042 7.996 -5.807 1.00 0.00 C ATOM 0 H PHE A 133 -15.074 10.973 -1.420 1.00 0.00 H new ATOM 0 HA PHE A 133 -15.582 8.198 -1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -13.487 10.008 -2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -13.080 8.317 -2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -15.708 10.553 -3.584 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -13.723 6.732 -3.650 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -16.905 9.972 -5.690 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -14.997 6.123 -5.686 1.00 0.00 H new ATOM 0 HZ PHE A 133 -16.589 7.720 -6.696 1.00 0.00 H new ATOM 2163 N ILE A 134 -13.566 7.250 0.317 1.00 0.00 N ATOM 2164 CA ILE A 134 -12.626 6.724 1.318 1.00 0.00 C ATOM 2165 C ILE A 134 -11.546 5.889 0.622 1.00 0.00 C ATOM 2166 O ILE A 134 -11.835 4.901 -0.060 1.00 0.00 O ATOM 2167 CB ILE A 134 -13.315 5.894 2.430 1.00 0.00 C ATOM 2168 CG1 ILE A 134 -14.461 6.625 3.169 1.00 0.00 C ATOM 2169 CG2 ILE A 134 -12.251 5.483 3.472 1.00 0.00 C ATOM 2170 CD1 ILE A 134 -15.810 6.544 2.442 1.00 0.00 C ATOM 0 H ILE A 134 -13.891 6.540 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 134 -12.175 7.584 1.814 1.00 0.00 H new ATOM 0 HB ILE A 134 -13.768 5.038 1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -14.569 6.199 4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -14.189 7.673 3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -12.722 4.898 4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -11.480 4.884 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -11.800 6.377 3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -16.566 7.078 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -15.719 6.996 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -16.105 5.500 2.337 1.00 0.00 H new ATOM 2182 N ALA A 135 -10.294 6.276 0.846 1.00 0.00 N ATOM 2183 CA ALA A 135 -9.103 5.546 0.420 1.00 0.00 C ATOM 2184 C ALA A 135 -8.573 4.691 1.588 1.00 0.00 C ATOM 2185 O ALA A 135 -8.726 5.066 2.754 1.00 0.00 O ATOM 2186 CB ALA A 135 -8.058 6.562 -0.079 1.00 0.00 C ATOM 0 H ALA A 135 -10.072 7.137 1.347 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.336 4.864 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.161 6.033 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.469 7.124 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.804 7.249 0.728 1.00 0.00 H new ATOM 2192 N SER A 136 -7.938 3.555 1.288 1.00 0.00 N ATOM 2193 CA SER A 136 -7.308 2.670 2.286 1.00 0.00 C ATOM 2194 C SER A 136 -5.989 2.058 1.784 1.00 0.00 C ATOM 2195 O SER A 136 -5.866 1.669 0.620 1.00 0.00 O ATOM 2196 CB SER A 136 -8.311 1.586 2.703 1.00 0.00 C ATOM 2197 OG SER A 136 -7.743 0.640 3.592 1.00 0.00 O ATOM 0 H SER A 136 -7.843 3.214 0.331 1.00 0.00 H new ATOM 0 HA SER A 136 -7.042 3.270 3.156 1.00 0.00 H new ATOM 0 HB2 SER A 136 -9.173 2.055 3.178 1.00 0.00 H new ATOM 0 HB3 SER A 136 -8.677 1.072 1.814 1.00 0.00 H new ATOM 0 HG SER A 136 -7.128 1.095 4.205 1.00 0.00 H new ATOM 2203 N ASN A 137 -4.985 2.001 2.667 1.00 0.00 N ATOM 2204 CA ASN A 137 -3.612 1.569 2.372 1.00 0.00 C ATOM 2205 C ASN A 137 -3.407 0.057 2.621 1.00 0.00 C ATOM 2206 O ASN A 137 -3.058 -0.666 1.661 1.00 0.00 O ATOM 2207 CB ASN A 137 -2.644 2.446 3.196 1.00 0.00 C ATOM 2208 CG ASN A 137 -1.264 2.583 2.580 1.00 0.00 C ATOM 2209 OD1 ASN A 137 -0.375 1.762 2.768 1.00 0.00 O ATOM 2210 ND2 ASN A 137 -1.041 3.640 1.839 1.00 0.00 N ATOM 0 H ASN A 137 -5.111 2.264 3.644 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.404 1.707 1.311 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.079 3.439 3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.545 2.021 4.195 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -0.124 3.782 1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -1.785 4.321 1.685 1.00 0.00 H new TER 2217 ASN A 137