USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1004 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 91 CYS SG : rot 142:sc= 1.76 USER MOD Set 1.2: A 138 TYR OH : rot -141:sc= 1.03 USER MOD Set 2.1: A 93 ASN : amide:sc= -2.19 K(o=-1.2,f=-9.7!) USER MOD Set 2.2: A 137 THR OG1 : rot -6:sc= 0.958 USER MOD Set 3.1: A 33 HIS :FLIP no HD1:sc= -10.7! C(o=-18!,f=-11!) USER MOD Set 3.2: A 35 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0202 K(o=-0.02,f=-1.3!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -37:sc= 1.18 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -140:sc= -0.344 USER MOD Single : A 22 GLN : amide:sc= -5.31! C(o=-5.3!,f=-12!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS :FLIP no HD1:sc= 0.389 F(o=-2.1!,f=0.39) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc=-0.00948 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0449 USER MOD Single : A 67 CYS SG : rot -43:sc= -2.56 USER MOD Single : A 70 TYR OH : rot -43:sc= -4.99! USER MOD Single : A 72 ASN : amide:sc= -3.03! C(o=-3!,f=-12!) USER MOD Single : A 75 ASN : amide:sc=-0.00421 K(o=-0.0042,f=-1.2) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -2.85! C(o=-2.8!,f=-8.7!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -20:sc= -2.1! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.0631 X(o=-0.063,f=-0.063) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 HIS : no HE2:sc= -5.56! C(o=-5.6!,f=-8.7!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 179:sc= -2.31! (180deg=-2.33!) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.363 F(o=-4.1,f=-0.36) USER MOD Single : A 125 ASN : amide:sc=-0.00846 K(o=-0.0085,f=-1.3) USER MOD Single : A 126 SER OG : rot -83:sc= -2.71! USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot -128:sc= -3.49! USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -1.6 K(o=-1.6,f=-6.3!) USER MOD Single : A 144 HIS :FLIP no HE2:sc= -3.7! C(o=-4.3!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 38 N GLU A 4 14.347 -1.833 -12.576 1.00 0.00 N ATOM 39 CA GLU A 4 13.622 -0.617 -12.926 1.00 0.00 C ATOM 40 C GLU A 4 12.135 -0.750 -12.608 1.00 0.00 C ATOM 41 O GLU A 4 11.496 0.202 -12.158 1.00 0.00 O ATOM 42 CB GLU A 4 13.809 -0.298 -14.410 1.00 0.00 C ATOM 43 CG GLU A 4 15.217 0.154 -14.763 1.00 0.00 C ATOM 44 CD GLU A 4 15.376 0.463 -16.239 1.00 0.00 C ATOM 45 OE1 GLU A 4 15.324 1.656 -16.606 1.00 0.00 O ATOM 46 OE2 GLU A 4 15.555 -0.489 -17.028 1.00 0.00 O ATOM 0 HA GLU A 4 14.028 0.199 -12.328 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.563 -1.183 -14.997 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.103 0.482 -14.697 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.467 1.041 -14.181 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.926 -0.624 -14.480 1.00 0.00 H new ATOM 54 N ASN A 5 11.586 -1.932 -12.863 1.00 0.00 N ATOM 55 CA ASN A 5 10.171 -2.193 -12.621 1.00 0.00 C ATOM 56 C ASN A 5 9.807 -2.007 -11.151 1.00 0.00 C ATOM 57 O ASN A 5 8.744 -1.475 -10.830 1.00 0.00 O ATOM 58 CB ASN A 5 9.810 -3.609 -13.072 1.00 0.00 C ATOM 59 CG ASN A 5 9.835 -3.758 -14.581 1.00 0.00 C ATOM 60 OD1 ASN A 5 9.749 -2.775 -15.317 1.00 0.00 O ATOM 61 ND2 ASN A 5 9.950 -4.995 -15.050 1.00 0.00 N ATOM 0 H ASN A 5 12.101 -2.728 -13.239 1.00 0.00 H new ATOM 0 HA ASN A 5 9.598 -1.470 -13.202 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.508 -4.318 -12.628 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.817 -3.864 -12.701 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.970 -5.159 -16.057 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.019 -5.781 -14.404 1.00 0.00 H new ATOM 68 N TYR A 6 10.683 -2.456 -10.259 1.00 0.00 N ATOM 69 CA TYR A 6 10.434 -2.342 -8.825 1.00 0.00 C ATOM 70 C TYR A 6 11.316 -1.271 -8.194 1.00 0.00 C ATOM 71 O TYR A 6 12.508 -1.177 -8.490 1.00 0.00 O ATOM 72 CB TYR A 6 10.675 -3.687 -8.136 1.00 0.00 C ATOM 73 CG TYR A 6 9.661 -4.747 -8.500 1.00 0.00 C ATOM 74 CD1 TYR A 6 8.493 -4.901 -7.763 1.00 0.00 C ATOM 75 CD2 TYR A 6 9.870 -5.593 -9.582 1.00 0.00 C ATOM 76 CE1 TYR A 6 7.564 -5.869 -8.093 1.00 0.00 C ATOM 77 CE2 TYR A 6 8.945 -6.563 -9.918 1.00 0.00 C ATOM 78 CZ TYR A 6 7.794 -6.696 -9.171 1.00 0.00 C ATOM 79 OH TYR A 6 6.871 -7.662 -9.503 1.00 0.00 O ATOM 0 H TYR A 6 11.568 -2.901 -10.501 1.00 0.00 H new ATOM 0 HA TYR A 6 9.393 -2.050 -8.689 1.00 0.00 H new ATOM 0 HB2 TYR A 6 11.671 -4.045 -8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 6 10.661 -3.539 -7.056 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.308 -4.254 -6.919 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.770 -5.491 -10.170 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.662 -5.977 -7.509 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.123 -7.214 -10.761 1.00 0.00 H new ATOM 0 HH TYR A 6 7.184 -8.158 -10.288 1.00 0.00 H new ATOM 89 N TYR A 7 10.718 -0.462 -7.329 1.00 0.00 N ATOM 90 CA TYR A 7 11.434 0.612 -6.653 1.00 0.00 C ATOM 91 C TYR A 7 11.387 0.431 -5.132 1.00 0.00 C ATOM 92 O TYR A 7 10.310 0.323 -4.546 1.00 0.00 O ATOM 93 CB TYR A 7 10.821 1.961 -7.053 1.00 0.00 C ATOM 94 CG TYR A 7 11.341 3.145 -6.267 1.00 0.00 C ATOM 95 CD1 TYR A 7 10.720 3.537 -5.090 1.00 0.00 C ATOM 96 CD2 TYR A 7 12.445 3.868 -6.701 1.00 0.00 C ATOM 97 CE1 TYR A 7 11.182 4.613 -4.364 1.00 0.00 C ATOM 98 CE2 TYR A 7 12.916 4.948 -5.978 1.00 0.00 C ATOM 99 CZ TYR A 7 12.281 5.316 -4.810 1.00 0.00 C ATOM 100 OH TYR A 7 12.746 6.391 -4.088 1.00 0.00 O ATOM 0 H TYR A 7 9.732 -0.530 -7.078 1.00 0.00 H new ATOM 0 HA TYR A 7 12.480 0.585 -6.957 1.00 0.00 H new ATOM 0 HB2 TYR A 7 11.012 2.132 -8.112 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.740 1.905 -6.929 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.859 2.989 -4.737 1.00 0.00 H new ATOM 0 HD2 TYR A 7 12.942 3.582 -7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.686 4.904 -3.450 1.00 0.00 H new ATOM 0 HE2 TYR A 7 13.776 5.501 -6.326 1.00 0.00 H new ATOM 0 HH TYR A 7 13.527 6.775 -4.539 1.00 0.00 H new ATOM 110 N ILE A 8 12.562 0.407 -4.501 1.00 0.00 N ATOM 111 CA ILE A 8 12.638 0.251 -3.050 1.00 0.00 C ATOM 112 C ILE A 8 13.597 1.275 -2.437 1.00 0.00 C ATOM 113 O ILE A 8 14.756 1.388 -2.855 1.00 0.00 O ATOM 114 CB ILE A 8 13.086 -1.170 -2.646 1.00 0.00 C ATOM 115 CG1 ILE A 8 12.356 -2.232 -3.472 1.00 0.00 C ATOM 116 CG2 ILE A 8 12.826 -1.396 -1.163 1.00 0.00 C ATOM 117 CD1 ILE A 8 10.848 -2.126 -3.406 1.00 0.00 C ATOM 0 H ILE A 8 13.465 0.493 -4.967 1.00 0.00 H new ATOM 0 HA ILE A 8 11.632 0.420 -2.665 1.00 0.00 H new ATOM 0 HB ILE A 8 14.154 -1.259 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 8 12.672 -2.150 -4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.657 -3.220 -3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.145 -2.401 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.385 -0.665 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 8 11.761 -1.285 -0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 8 10.401 -2.911 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 8 10.520 -2.238 -2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.535 -1.152 -3.782 1.00 0.00 H new ATOM 129 N SER A 9 13.103 2.027 -1.448 1.00 0.00 N ATOM 130 CA SER A 9 13.885 3.068 -0.734 1.00 0.00 C ATOM 131 C SER A 9 14.569 2.526 0.553 1.00 0.00 C ATOM 132 O SER A 9 14.117 2.868 1.650 1.00 0.00 O ATOM 133 CB SER A 9 13.005 4.270 -0.396 1.00 0.00 C ATOM 134 OG SER A 9 13.644 5.490 -0.725 1.00 0.00 O ATOM 0 H SER A 9 12.144 1.938 -1.111 1.00 0.00 H new ATOM 0 HA SER A 9 14.678 3.382 -1.413 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.062 4.195 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.765 4.259 0.667 1.00 0.00 H new ATOM 0 HG SER A 9 13.055 6.239 -0.498 1.00 0.00 H new ATOM 140 N PRO A 10 15.549 1.595 0.484 1.00 0.00 N ATOM 141 CA PRO A 10 16.186 1.093 -0.723 1.00 0.00 C ATOM 142 C PRO A 10 15.987 -0.410 -0.922 1.00 0.00 C ATOM 143 O PRO A 10 15.313 -1.061 -0.130 1.00 0.00 O ATOM 144 CB PRO A 10 17.640 1.347 -0.350 1.00 0.00 C ATOM 145 CG PRO A 10 17.697 1.044 1.129 1.00 0.00 C ATOM 146 CD PRO A 10 16.264 1.049 1.633 1.00 0.00 C ATOM 0 HA PRO A 10 15.811 1.549 -1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.315 0.704 -0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.931 2.377 -0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.166 0.077 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.294 1.790 1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.918 0.049 1.893 1.00 0.00 H new ATOM 0 HD3 PRO A 10 16.145 1.669 2.522 1.00 0.00 H new ATOM 154 N SER A 11 16.574 -0.933 -2.008 1.00 0.00 N ATOM 155 CA SER A 11 16.477 -2.358 -2.367 1.00 0.00 C ATOM 156 C SER A 11 16.527 -3.274 -1.143 1.00 0.00 C ATOM 157 O SER A 11 16.953 -2.864 -0.064 1.00 0.00 O ATOM 158 CB SER A 11 17.600 -2.731 -3.335 1.00 0.00 C ATOM 159 OG SER A 11 17.531 -1.957 -4.519 1.00 0.00 O ATOM 0 H SER A 11 17.129 -0.382 -2.663 1.00 0.00 H new ATOM 0 HA SER A 11 15.508 -2.503 -2.845 1.00 0.00 H new ATOM 0 HB2 SER A 11 18.566 -2.578 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 11 17.532 -3.790 -3.585 1.00 0.00 H new ATOM 0 HG SER A 11 18.261 -2.214 -5.121 1.00 0.00 H new ATOM 165 N LEU A 12 16.075 -4.510 -1.315 1.00 0.00 N ATOM 166 CA LEU A 12 16.044 -5.466 -0.215 1.00 0.00 C ATOM 167 C LEU A 12 17.441 -5.695 0.350 1.00 0.00 C ATOM 168 O LEU A 12 17.619 -5.786 1.565 1.00 0.00 O ATOM 169 CB LEU A 12 15.456 -6.794 -0.693 1.00 0.00 C ATOM 170 CG LEU A 12 14.029 -6.709 -1.235 1.00 0.00 C ATOM 171 CD1 LEU A 12 13.542 -8.082 -1.670 1.00 0.00 C ATOM 172 CD2 LEU A 12 13.093 -6.108 -0.199 1.00 0.00 C ATOM 0 H LEU A 12 15.726 -4.873 -2.202 1.00 0.00 H new ATOM 0 HA LEU A 12 15.416 -5.054 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 12 16.101 -7.201 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 12 15.472 -7.501 0.136 1.00 0.00 H new ATOM 0 HG LEU A 12 14.032 -6.054 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.525 -8.003 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 12 14.195 -8.469 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.557 -8.760 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.083 -6.057 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.092 -6.731 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.431 -5.104 0.058 1.00 0.00 H new ATOM 184 N ASP A 13 18.433 -5.772 -0.528 1.00 0.00 N ATOM 185 CA ASP A 13 19.807 -5.965 -0.088 1.00 0.00 C ATOM 186 C ASP A 13 20.324 -4.712 0.613 1.00 0.00 C ATOM 187 O ASP A 13 21.003 -4.796 1.637 1.00 0.00 O ATOM 188 CB ASP A 13 20.706 -6.311 -1.276 1.00 0.00 C ATOM 189 CG ASP A 13 20.429 -7.694 -1.833 1.00 0.00 C ATOM 190 OD1 ASP A 13 20.798 -7.949 -2.998 1.00 0.00 O ATOM 191 OD2 ASP A 13 19.850 -8.523 -1.100 1.00 0.00 O ATOM 0 H ASP A 13 18.313 -5.704 -1.539 1.00 0.00 H new ATOM 0 HA ASP A 13 19.827 -6.795 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 13 20.563 -5.571 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 13 21.750 -6.250 -0.967 1.00 0.00 H new ATOM 197 N THR A 14 19.993 -3.550 0.056 1.00 0.00 N ATOM 198 CA THR A 14 20.421 -2.279 0.632 1.00 0.00 C ATOM 199 C THR A 14 19.873 -2.108 2.047 1.00 0.00 C ATOM 200 O THR A 14 20.564 -1.618 2.939 1.00 0.00 O ATOM 201 CB THR A 14 19.967 -1.109 -0.250 1.00 0.00 C ATOM 202 OG1 THR A 14 20.464 -1.258 -1.568 1.00 0.00 O ATOM 203 CG2 THR A 14 20.441 0.234 0.260 1.00 0.00 C ATOM 0 H THR A 14 19.431 -3.462 -0.791 1.00 0.00 H new ATOM 0 HA THR A 14 21.510 -2.284 0.681 1.00 0.00 H new ATOM 0 HB THR A 14 18.877 -1.132 -0.229 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.164 -0.504 -2.118 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.088 1.021 -0.406 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.047 0.403 1.262 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.530 0.247 0.292 1.00 0.00 H new ATOM 211 N LEU A 15 18.619 -2.514 2.238 1.00 0.00 N ATOM 212 CA LEU A 15 17.959 -2.407 3.537 1.00 0.00 C ATOM 213 C LEU A 15 18.613 -3.312 4.577 1.00 0.00 C ATOM 214 O LEU A 15 18.766 -2.933 5.737 1.00 0.00 O ATOM 215 CB LEU A 15 16.476 -2.760 3.402 1.00 0.00 C ATOM 216 CG LEU A 15 15.672 -2.686 4.702 1.00 0.00 C ATOM 217 CD1 LEU A 15 15.714 -1.277 5.274 1.00 0.00 C ATOM 218 CD2 LEU A 15 14.236 -3.124 4.462 1.00 0.00 C ATOM 0 H LEU A 15 18.038 -2.922 1.506 1.00 0.00 H new ATOM 0 HA LEU A 15 18.061 -1.376 3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.023 -2.088 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.394 -3.769 2.999 1.00 0.00 H new ATOM 0 HG LEU A 15 16.122 -3.364 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.137 -1.242 6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.747 -0.999 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.287 -0.579 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.677 -3.066 5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.775 -2.470 3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.225 -4.151 4.096 1.00 0.00 H new ATOM 230 N SER A 16 18.984 -4.514 4.155 1.00 0.00 N ATOM 231 CA SER A 16 19.610 -5.484 5.046 1.00 0.00 C ATOM 232 C SER A 16 20.913 -4.942 5.626 1.00 0.00 C ATOM 233 O SER A 16 21.226 -5.173 6.793 1.00 0.00 O ATOM 234 CB SER A 16 19.870 -6.798 4.309 1.00 0.00 C ATOM 235 OG SER A 16 20.470 -7.754 5.164 1.00 0.00 O ATOM 0 H SER A 16 18.862 -4.842 3.197 1.00 0.00 H new ATOM 0 HA SER A 16 18.922 -5.670 5.871 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.931 -7.192 3.920 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.518 -6.615 3.452 1.00 0.00 H new ATOM 0 HG SER A 16 20.624 -8.585 4.668 1.00 0.00 H new ATOM 241 N SER A 17 21.672 -4.220 4.805 1.00 0.00 N ATOM 242 CA SER A 17 22.944 -3.648 5.247 1.00 0.00 C ATOM 243 C SER A 17 22.735 -2.691 6.422 1.00 0.00 C ATOM 244 O SER A 17 23.694 -2.257 7.061 1.00 0.00 O ATOM 245 CB SER A 17 23.625 -2.915 4.090 1.00 0.00 C ATOM 246 OG SER A 17 22.923 -1.730 3.756 1.00 0.00 O ATOM 0 H SER A 17 21.431 -4.017 3.835 1.00 0.00 H new ATOM 0 HA SER A 17 23.585 -4.464 5.579 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.651 -2.669 4.364 1.00 0.00 H new ATOM 0 HB3 SER A 17 23.676 -3.569 3.220 1.00 0.00 H new ATOM 0 HG SER A 17 21.960 -1.883 3.851 1.00 0.00 H new ATOM 252 N TYR A 18 21.475 -2.378 6.703 1.00 0.00 N ATOM 253 CA TYR A 18 21.122 -1.486 7.801 1.00 0.00 C ATOM 254 C TYR A 18 21.474 -2.106 9.145 1.00 0.00 C ATOM 255 O TYR A 18 21.615 -3.322 9.263 1.00 0.00 O ATOM 256 CB TYR A 18 19.620 -1.188 7.781 1.00 0.00 C ATOM 257 CG TYR A 18 19.205 0.018 6.961 1.00 0.00 C ATOM 258 CD1 TYR A 18 20.100 0.689 6.133 1.00 0.00 C ATOM 259 CD2 TYR A 18 17.901 0.484 7.026 1.00 0.00 C ATOM 260 CE1 TYR A 18 19.703 1.788 5.397 1.00 0.00 C ATOM 261 CE2 TYR A 18 17.496 1.579 6.295 1.00 0.00 C ATOM 262 CZ TYR A 18 18.399 2.229 5.480 1.00 0.00 C ATOM 263 OH TYR A 18 17.998 3.324 4.750 1.00 0.00 O ATOM 0 H TYR A 18 20.674 -2.733 6.180 1.00 0.00 H new ATOM 0 HA TYR A 18 21.689 -0.564 7.670 1.00 0.00 H new ATOM 0 HB2 TYR A 18 19.098 -2.064 7.396 1.00 0.00 H new ATOM 0 HB3 TYR A 18 19.283 -1.042 8.807 1.00 0.00 H new ATOM 0 HD1 TYR A 18 21.121 0.345 6.065 1.00 0.00 H new ATOM 0 HD2 TYR A 18 17.189 -0.021 7.662 1.00 0.00 H new ATOM 0 HE1 TYR A 18 20.410 2.299 4.760 1.00 0.00 H new ATOM 0 HE2 TYR A 18 16.476 1.927 6.360 1.00 0.00 H new ATOM 0 HH TYR A 18 17.050 3.502 4.921 1.00 0.00 H new ATOM 273 N SER A 19 21.586 -1.260 10.161 1.00 0.00 N ATOM 274 CA SER A 19 21.888 -1.730 11.503 1.00 0.00 C ATOM 275 C SER A 19 20.695 -2.518 12.031 1.00 0.00 C ATOM 276 O SER A 19 19.627 -2.504 11.419 1.00 0.00 O ATOM 277 CB SER A 19 22.200 -0.553 12.431 1.00 0.00 C ATOM 278 OG SER A 19 21.037 0.215 12.692 1.00 0.00 O ATOM 0 H SER A 19 21.473 -0.250 10.080 1.00 0.00 H new ATOM 0 HA SER A 19 22.768 -2.373 11.470 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.612 -0.925 13.369 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.963 0.080 11.977 1.00 0.00 H new ATOM 0 HG SER A 19 21.267 1.168 12.692 1.00 0.00 H new ATOM 284 N LEU A 20 20.869 -3.212 13.149 1.00 0.00 N ATOM 285 CA LEU A 20 19.782 -4.010 13.709 1.00 0.00 C ATOM 286 C LEU A 20 18.572 -3.134 14.025 1.00 0.00 C ATOM 287 O LEU A 20 17.444 -3.466 13.658 1.00 0.00 O ATOM 288 CB LEU A 20 20.251 -4.727 14.978 1.00 0.00 C ATOM 289 CG LEU A 20 21.262 -5.852 14.751 1.00 0.00 C ATOM 290 CD1 LEU A 20 21.838 -6.327 16.077 1.00 0.00 C ATOM 291 CD2 LEU A 20 20.613 -7.008 14.006 1.00 0.00 C ATOM 0 H LEU A 20 21.739 -3.240 13.681 1.00 0.00 H new ATOM 0 HA LEU A 20 19.488 -4.752 12.967 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.694 -3.992 15.650 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.380 -5.140 15.487 1.00 0.00 H new ATOM 0 HG LEU A 20 22.078 -5.464 14.141 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.555 -7.128 15.896 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.339 -5.496 16.575 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.033 -6.698 16.711 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.346 -7.800 13.853 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.778 -7.395 14.591 1.00 0.00 H new ATOM 0 HD23 LEU A 20 20.248 -6.659 13.040 1.00 0.00 H new ATOM 303 N LEU A 21 18.812 -2.010 14.684 1.00 0.00 N ATOM 304 CA LEU A 21 17.738 -1.088 15.023 1.00 0.00 C ATOM 305 C LEU A 21 17.199 -0.394 13.771 1.00 0.00 C ATOM 306 O LEU A 21 15.993 -0.194 13.629 1.00 0.00 O ATOM 307 CB LEU A 21 18.232 -0.045 16.027 1.00 0.00 C ATOM 308 CG LEU A 21 17.186 0.984 16.461 1.00 0.00 C ATOM 309 CD1 LEU A 21 17.499 1.508 17.854 1.00 0.00 C ATOM 310 CD2 LEU A 21 17.118 2.128 15.460 1.00 0.00 C ATOM 0 H LEU A 21 19.738 -1.715 14.994 1.00 0.00 H new ATOM 0 HA LEU A 21 16.929 -1.662 15.474 1.00 0.00 H new ATOM 0 HB2 LEU A 21 18.600 -0.562 16.913 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.080 0.483 15.591 1.00 0.00 H new ATOM 0 HG LEU A 21 16.212 0.495 16.490 1.00 0.00 H new ATOM 0 HD11 LEU A 21 16.745 2.239 18.146 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.496 0.680 18.563 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.481 1.981 17.853 1.00 0.00 H new ATOM 0 HD21 LEU A 21 16.369 2.851 15.784 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.091 2.616 15.399 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.845 1.738 14.479 1.00 0.00 H new ATOM 322 N GLN A 22 18.110 -0.012 12.876 1.00 0.00 N ATOM 323 CA GLN A 22 17.743 0.679 11.642 1.00 0.00 C ATOM 324 C GLN A 22 16.840 -0.172 10.749 1.00 0.00 C ATOM 325 O GLN A 22 15.834 0.314 10.231 1.00 0.00 O ATOM 326 CB GLN A 22 19.004 1.088 10.877 1.00 0.00 C ATOM 327 CG GLN A 22 18.725 1.828 9.580 1.00 0.00 C ATOM 328 CD GLN A 22 19.993 2.220 8.846 1.00 0.00 C ATOM 329 OE1 GLN A 22 20.898 1.407 8.669 1.00 0.00 O ATOM 330 NE2 GLN A 22 20.064 3.476 8.418 1.00 0.00 N ATOM 0 H GLN A 22 19.112 -0.171 12.984 1.00 0.00 H new ATOM 0 HA GLN A 22 17.178 1.568 11.921 1.00 0.00 H new ATOM 0 HB2 GLN A 22 19.618 1.720 11.519 1.00 0.00 H new ATOM 0 HB3 GLN A 22 19.588 0.195 10.656 1.00 0.00 H new ATOM 0 HG2 GLN A 22 18.114 1.199 8.932 1.00 0.00 H new ATOM 0 HG3 GLN A 22 18.143 2.724 9.796 1.00 0.00 H new ATOM 0 HE21 GLN A 22 19.289 4.117 8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 22 20.894 3.799 7.920 1.00 0.00 H new ATOM 339 N LEU A 23 17.202 -1.439 10.561 1.00 0.00 N ATOM 340 CA LEU A 23 16.413 -2.335 9.719 1.00 0.00 C ATOM 341 C LEU A 23 15.080 -2.666 10.379 1.00 0.00 C ATOM 342 O LEU A 23 14.045 -2.735 9.717 1.00 0.00 O ATOM 343 CB LEU A 23 17.191 -3.616 9.423 1.00 0.00 C ATOM 344 CG LEU A 23 17.591 -4.435 10.647 1.00 0.00 C ATOM 345 CD1 LEU A 23 16.597 -5.561 10.879 1.00 0.00 C ATOM 346 CD2 LEU A 23 18.997 -4.987 10.471 1.00 0.00 C ATOM 0 H LEU A 23 18.030 -1.866 10.977 1.00 0.00 H new ATOM 0 HA LEU A 23 16.211 -1.824 8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 23 16.588 -4.244 8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 23 18.094 -3.354 8.871 1.00 0.00 H new ATOM 0 HG LEU A 23 17.581 -3.786 11.523 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.896 -6.136 11.755 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.604 -5.142 11.042 1.00 0.00 H new ATOM 0 HD13 LEU A 23 16.577 -6.214 10.006 1.00 0.00 H new ATOM 0 HD21 LEU A 23 19.272 -5.570 11.350 1.00 0.00 H new ATOM 0 HD22 LEU A 23 19.029 -5.625 9.588 1.00 0.00 H new ATOM 0 HD23 LEU A 23 19.699 -4.162 10.348 1.00 0.00 H new ATOM 358 N ARG A 24 15.118 -2.875 11.689 1.00 0.00 N ATOM 359 CA ARG A 24 13.920 -3.201 12.449 1.00 0.00 C ATOM 360 C ARG A 24 12.909 -2.058 12.403 1.00 0.00 C ATOM 361 O ARG A 24 11.707 -2.277 12.287 1.00 0.00 O ATOM 362 CB ARG A 24 14.297 -3.490 13.905 1.00 0.00 C ATOM 363 CG ARG A 24 15.068 -4.784 14.095 1.00 0.00 C ATOM 364 CD ARG A 24 15.441 -4.990 15.553 1.00 0.00 C ATOM 365 NE ARG A 24 16.187 -6.229 15.768 1.00 0.00 N ATOM 366 CZ ARG A 24 16.578 -6.664 16.966 1.00 0.00 C ATOM 367 NH1 ARG A 24 16.290 -5.968 18.059 1.00 0.00 N ATOM 368 NH2 ARG A 24 17.257 -7.798 17.072 1.00 0.00 N ATOM 0 H ARG A 24 15.970 -2.824 12.248 1.00 0.00 H new ATOM 0 HA ARG A 24 13.462 -4.083 12.001 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.895 -2.663 14.286 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.388 -3.529 14.505 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.466 -5.624 13.748 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.971 -4.766 13.485 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.039 -4.145 15.895 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.535 -5.005 16.158 1.00 0.00 H new ATOM 0 HE ARG A 24 16.422 -6.794 14.952 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.767 -5.095 17.985 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.592 -6.306 18.973 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.481 -8.338 16.236 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.556 -8.130 17.989 1.00 0.00 H new ATOM 382 N LYS A 25 13.413 -0.836 12.499 1.00 0.00 N ATOM 383 CA LYS A 25 12.565 0.348 12.475 1.00 0.00 C ATOM 384 C LYS A 25 12.791 1.159 11.205 1.00 0.00 C ATOM 385 O LYS A 25 13.583 2.090 11.203 1.00 0.00 O ATOM 386 CB LYS A 25 12.831 1.219 13.704 1.00 0.00 C ATOM 387 CG LYS A 25 12.346 0.599 15.004 1.00 0.00 C ATOM 388 CD LYS A 25 12.634 1.502 16.194 1.00 0.00 C ATOM 389 CE LYS A 25 12.148 0.883 17.494 1.00 0.00 C ATOM 390 NZ LYS A 25 12.509 1.715 18.675 1.00 0.00 N ATOM 0 H LYS A 25 14.409 -0.638 12.595 1.00 0.00 H new ATOM 0 HA LYS A 25 11.527 0.016 12.491 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.902 1.410 13.779 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.344 2.184 13.567 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.274 0.410 14.940 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.832 -0.365 15.152 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.706 1.690 16.258 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.149 2.467 16.046 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.066 0.759 17.455 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.579 -0.112 17.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.160 1.258 19.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.543 1.813 18.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.077 2.656 18.582 1.00 0.00 H new ATOM 404 N VAL A 26 12.086 0.786 10.143 1.00 0.00 N ATOM 405 CA VAL A 26 12.162 1.446 8.832 1.00 0.00 C ATOM 406 C VAL A 26 11.512 2.837 8.835 1.00 0.00 C ATOM 407 O VAL A 26 10.306 2.945 8.613 1.00 0.00 O ATOM 408 CB VAL A 26 11.504 0.593 7.733 1.00 0.00 C ATOM 409 CG1 VAL A 26 11.831 1.146 6.357 1.00 0.00 C ATOM 410 CG2 VAL A 26 11.936 -0.861 7.845 1.00 0.00 C ATOM 0 H VAL A 26 11.432 0.003 10.163 1.00 0.00 H new ATOM 0 HA VAL A 26 13.225 1.561 8.620 1.00 0.00 H new ATOM 0 HB VAL A 26 10.424 0.637 7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.356 0.529 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.461 2.168 6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.911 1.139 6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.458 -1.444 7.058 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.019 -0.928 7.740 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.641 -1.254 8.818 1.00 0.00 H new ATOM 420 N PRO A 27 12.273 3.923 9.098 1.00 0.00 N ATOM 421 CA PRO A 27 11.710 5.279 9.124 1.00 0.00 C ATOM 422 C PRO A 27 11.054 5.655 7.790 1.00 0.00 C ATOM 423 O PRO A 27 9.852 5.456 7.608 1.00 0.00 O ATOM 424 CB PRO A 27 12.921 6.176 9.426 1.00 0.00 C ATOM 425 CG PRO A 27 14.111 5.353 9.072 1.00 0.00 C ATOM 426 CD PRO A 27 13.722 3.931 9.360 1.00 0.00 C ATOM 0 HA PRO A 27 10.915 5.380 9.863 1.00 0.00 H new ATOM 0 HB2 PRO A 27 12.888 7.094 8.839 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.942 6.469 10.476 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.378 5.481 8.023 1.00 0.00 H new ATOM 0 HG3 PRO A 27 14.980 5.648 9.660 1.00 0.00 H new ATOM 0 HD2 PRO A 27 14.252 3.229 8.716 1.00 0.00 H new ATOM 0 HD3 PRO A 27 13.947 3.652 10.389 1.00 0.00 H new ATOM 434 N HIS A 28 11.840 6.192 6.858 1.00 0.00 N ATOM 435 CA HIS A 28 11.315 6.579 5.553 1.00 0.00 C ATOM 436 C HIS A 28 11.546 5.466 4.537 1.00 0.00 C ATOM 437 O HIS A 28 12.646 5.316 4.005 1.00 0.00 O ATOM 438 CB HIS A 28 11.989 7.872 5.084 1.00 0.00 C ATOM 439 CG HIS A 28 11.514 8.353 3.748 1.00 0.00 C ATOM 440 ND1 HIS A 28 12.142 8.402 2.549 1.00 0.00 N flip ATOM 441 CD2 HIS A 28 10.251 8.868 3.538 1.00 0.00 C flip ATOM 442 CE1 HIS A 28 11.257 8.940 1.648 1.00 0.00 C flip ATOM 443 NE2 HIS A 28 10.125 9.213 2.269 1.00 0.00 N flip ATOM 0 H HIS A 28 12.837 6.368 6.983 1.00 0.00 H new ATOM 0 HA HIS A 28 10.242 6.749 5.641 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.811 8.652 5.824 1.00 0.00 H new ATOM 0 HB3 HIS A 28 13.067 7.713 5.040 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.486 8.973 4.293 1.00 0.00 H new ATOM 0 HE1 HIS A 28 11.455 9.112 0.600 1.00 0.00 H new ATOM 0 HE2 HIS A 28 9.294 9.621 1.842 1.00 0.00 H new ATOM 452 N LEU A 29 10.504 4.684 4.270 1.00 0.00 N ATOM 453 CA LEU A 29 10.602 3.585 3.317 1.00 0.00 C ATOM 454 C LEU A 29 9.624 3.759 2.164 1.00 0.00 C ATOM 455 O LEU A 29 8.431 3.972 2.373 1.00 0.00 O ATOM 456 CB LEU A 29 10.339 2.251 4.013 1.00 0.00 C ATOM 457 CG LEU A 29 10.414 1.020 3.109 1.00 0.00 C ATOM 458 CD1 LEU A 29 11.795 0.900 2.485 1.00 0.00 C ATOM 459 CD2 LEU A 29 10.069 -0.237 3.892 1.00 0.00 C ATOM 0 H LEU A 29 9.585 4.791 4.699 1.00 0.00 H new ATOM 0 HA LEU A 29 11.614 3.591 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.060 2.133 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.350 2.287 4.470 1.00 0.00 H new ATOM 0 HG LEU A 29 9.685 1.136 2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 29 11.830 0.018 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.004 1.789 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.543 0.807 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.127 -1.103 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.774 -0.358 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.058 -0.152 4.290 1.00 0.00 H new ATOM 471 N VAL A 30 10.133 3.639 0.945 1.00 0.00 N ATOM 472 CA VAL A 30 9.298 3.753 -0.240 1.00 0.00 C ATOM 473 C VAL A 30 9.390 2.475 -1.062 1.00 0.00 C ATOM 474 O VAL A 30 10.438 2.163 -1.628 1.00 0.00 O ATOM 475 CB VAL A 30 9.713 4.955 -1.112 1.00 0.00 C ATOM 476 CG1 VAL A 30 8.745 5.138 -2.271 1.00 0.00 C ATOM 477 CG2 VAL A 30 9.794 6.220 -0.269 1.00 0.00 C ATOM 0 H VAL A 30 11.119 3.463 0.752 1.00 0.00 H new ATOM 0 HA VAL A 30 8.271 3.910 0.090 1.00 0.00 H new ATOM 0 HB VAL A 30 10.701 4.756 -1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.056 5.991 -2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.742 4.240 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.742 5.314 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.088 7.059 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.820 6.424 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.532 6.084 0.521 1.00 0.00 H new ATOM 487 N VAL A 31 8.291 1.734 -1.121 1.00 0.00 N ATOM 488 CA VAL A 31 8.256 0.487 -1.872 1.00 0.00 C ATOM 489 C VAL A 31 7.050 0.451 -2.803 1.00 0.00 C ATOM 490 O VAL A 31 5.922 0.704 -2.381 1.00 0.00 O ATOM 491 CB VAL A 31 8.214 -0.732 -0.918 1.00 0.00 C ATOM 492 CG1 VAL A 31 8.179 -2.043 -1.695 1.00 0.00 C ATOM 493 CG2 VAL A 31 9.400 -0.701 0.034 1.00 0.00 C ATOM 0 H VAL A 31 7.414 1.975 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 31 9.166 0.435 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 31 7.296 -0.671 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.150 -2.879 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.292 -2.068 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.070 -2.121 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.356 -1.564 0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.327 -0.730 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.368 0.214 0.626 1.00 0.00 H new ATOM 503 N GLY A 32 7.294 0.128 -4.067 1.00 0.00 N ATOM 504 CA GLY A 32 6.212 0.060 -5.028 1.00 0.00 C ATOM 505 C GLY A 32 6.701 -0.086 -6.453 1.00 0.00 C ATOM 506 O GLY A 32 7.901 -0.202 -6.700 1.00 0.00 O ATOM 0 H GLY A 32 8.218 -0.087 -4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.566 -0.783 -4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.604 0.961 -4.948 1.00 0.00 H new ATOM 510 N HIS A 33 5.764 -0.074 -7.391 1.00 0.00 N ATOM 511 CA HIS A 33 6.090 -0.198 -8.805 1.00 0.00 C ATOM 512 C HIS A 33 5.718 1.089 -9.534 1.00 0.00 C ATOM 513 O HIS A 33 4.616 1.610 -9.368 1.00 0.00 O ATOM 514 CB HIS A 33 5.347 -1.387 -9.420 1.00 0.00 C ATOM 515 CG HIS A 33 5.871 -1.793 -10.762 1.00 0.00 C ATOM 516 ND1 HIS A 33 5.767 -1.198 -11.971 1.00 0.00 N flip ATOM 517 CD2 HIS A 33 6.608 -2.941 -10.965 1.00 0.00 C flip ATOM 518 CE1 HIS A 33 6.433 -1.987 -12.875 1.00 0.00 C flip ATOM 519 NE2 HIS A 33 6.932 -3.031 -12.243 1.00 0.00 N flip ATOM 0 H HIS A 33 4.767 0.021 -7.197 1.00 0.00 H new ATOM 0 HA HIS A 33 7.162 -0.369 -8.908 1.00 0.00 H new ATOM 0 HB2 HIS A 33 5.414 -2.237 -8.741 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.290 -1.136 -9.513 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.878 -3.654 -10.200 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.532 -1.786 -13.931 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.476 -3.781 -12.669 1.00 0.00 H new ATOM 528 N LYS A 34 6.647 1.607 -10.328 1.00 0.00 N ATOM 529 CA LYS A 34 6.411 2.847 -11.060 1.00 0.00 C ATOM 530 C LYS A 34 5.232 2.706 -12.018 1.00 0.00 C ATOM 531 O LYS A 34 4.426 3.625 -12.161 1.00 0.00 O ATOM 532 CB LYS A 34 7.669 3.245 -11.838 1.00 0.00 C ATOM 533 CG LYS A 34 8.817 3.699 -10.949 1.00 0.00 C ATOM 534 CD LYS A 34 10.037 4.084 -11.771 1.00 0.00 C ATOM 535 CE LYS A 34 11.186 4.536 -10.885 1.00 0.00 C ATOM 536 NZ LYS A 34 12.417 4.818 -11.673 1.00 0.00 N ATOM 0 H LYS A 34 7.566 1.191 -10.482 1.00 0.00 H new ATOM 0 HA LYS A 34 6.171 3.626 -10.336 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.999 2.397 -12.438 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.418 4.048 -12.532 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.498 4.550 -10.347 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.081 2.900 -10.256 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.354 3.233 -12.374 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.773 4.884 -12.463 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.892 5.432 -10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.398 3.765 -10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.177 5.123 -11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.713 3.957 -12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.222 5.571 -12.363 1.00 0.00 H new ATOM 550 N SER A 35 5.136 1.557 -12.675 1.00 0.00 N ATOM 551 CA SER A 35 4.052 1.307 -13.621 1.00 0.00 C ATOM 552 C SER A 35 2.683 1.388 -12.948 1.00 0.00 C ATOM 553 O SER A 35 1.734 1.921 -13.523 1.00 0.00 O ATOM 554 CB SER A 35 4.229 -0.062 -14.280 1.00 0.00 C ATOM 555 OG SER A 35 5.341 -0.067 -15.158 1.00 0.00 O ATOM 0 H SER A 35 5.793 0.784 -12.572 1.00 0.00 H new ATOM 0 HA SER A 35 4.096 2.085 -14.383 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.365 -0.824 -13.512 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.326 -0.323 -14.831 1.00 0.00 H new ATOM 0 HG SER A 35 5.433 -0.954 -15.565 1.00 0.00 H new ATOM 561 N TYR A 36 2.578 0.849 -11.734 1.00 0.00 N ATOM 562 CA TYR A 36 1.312 0.858 -11.005 1.00 0.00 C ATOM 563 C TYR A 36 1.181 2.093 -10.114 1.00 0.00 C ATOM 564 O TYR A 36 0.504 3.056 -10.473 1.00 0.00 O ATOM 565 CB TYR A 36 1.175 -0.415 -10.166 1.00 0.00 C ATOM 566 CG TYR A 36 1.201 -1.691 -10.980 1.00 0.00 C ATOM 567 CD1 TYR A 36 0.544 -1.773 -12.201 1.00 0.00 C ATOM 568 CD2 TYR A 36 1.881 -2.813 -10.524 1.00 0.00 C ATOM 569 CE1 TYR A 36 0.565 -2.937 -12.946 1.00 0.00 C ATOM 570 CE2 TYR A 36 1.906 -3.981 -11.262 1.00 0.00 C ATOM 571 CZ TYR A 36 1.247 -4.039 -12.472 1.00 0.00 C ATOM 572 OH TYR A 36 1.267 -5.199 -13.210 1.00 0.00 O ATOM 0 H TYR A 36 3.350 0.403 -11.238 1.00 0.00 H new ATOM 0 HA TYR A 36 0.508 0.893 -11.740 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.983 -0.445 -9.435 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.240 -0.371 -9.607 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.008 -0.913 -12.574 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.399 -2.772 -9.577 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.050 -2.984 -13.894 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.439 -4.845 -10.893 1.00 0.00 H new ATOM 0 HH TYR A 36 1.791 -5.879 -12.737 1.00 0.00 H new ATOM 582 N GLY A 37 1.826 2.059 -8.950 1.00 0.00 N ATOM 583 CA GLY A 37 1.759 3.183 -8.032 1.00 0.00 C ATOM 584 C GLY A 37 2.832 3.125 -6.961 1.00 0.00 C ATOM 585 O GLY A 37 3.336 2.050 -6.632 1.00 0.00 O ATOM 0 H GLY A 37 2.393 1.275 -8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.860 4.112 -8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.778 3.202 -7.558 1.00 0.00 H new ATOM 589 N LYS A 38 3.184 4.287 -6.420 1.00 0.00 N ATOM 590 CA LYS A 38 4.207 4.373 -5.382 1.00 0.00 C ATOM 591 C LYS A 38 3.592 4.556 -3.996 1.00 0.00 C ATOM 592 O LYS A 38 2.736 5.416 -3.793 1.00 0.00 O ATOM 593 CB LYS A 38 5.166 5.527 -5.679 1.00 0.00 C ATOM 594 CG LYS A 38 4.486 6.884 -5.740 1.00 0.00 C ATOM 595 CD LYS A 38 5.481 7.993 -6.040 1.00 0.00 C ATOM 596 CE LYS A 38 4.803 9.352 -6.097 1.00 0.00 C ATOM 597 NZ LYS A 38 5.784 10.455 -6.295 1.00 0.00 N ATOM 0 H LYS A 38 2.776 5.184 -6.683 1.00 0.00 H new ATOM 0 HA LYS A 38 4.757 3.432 -5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.939 5.552 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.666 5.338 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.713 6.870 -6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.989 7.086 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.256 8.004 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.975 7.792 -6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.077 9.362 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.249 9.520 -5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.281 11.365 -6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.462 10.463 -5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.295 10.309 -7.189 1.00 0.00 H new ATOM 611 N ILE A 39 4.050 3.750 -3.040 1.00 0.00 N ATOM 612 CA ILE A 39 3.564 3.830 -1.665 1.00 0.00 C ATOM 613 C ILE A 39 4.738 3.902 -0.692 1.00 0.00 C ATOM 614 O ILE A 39 5.862 3.543 -1.042 1.00 0.00 O ATOM 615 CB ILE A 39 2.665 2.631 -1.304 1.00 0.00 C ATOM 616 CG1 ILE A 39 3.433 1.316 -1.445 1.00 0.00 C ATOM 617 CG2 ILE A 39 1.423 2.618 -2.185 1.00 0.00 C ATOM 618 CD1 ILE A 39 2.694 0.122 -0.882 1.00 0.00 C ATOM 0 H ILE A 39 4.759 3.033 -3.194 1.00 0.00 H new ATOM 0 HA ILE A 39 2.965 4.737 -1.584 1.00 0.00 H new ATOM 0 HB ILE A 39 2.355 2.735 -0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.643 1.139 -2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.394 1.410 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.797 1.766 -1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.862 3.541 -2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.720 2.538 -3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.297 -0.776 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.507 0.278 0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.745 0.002 -1.404 1.00 0.00 H new ATOM 630 N GLU A 40 4.485 4.382 0.524 1.00 0.00 N ATOM 631 CA GLU A 40 5.547 4.505 1.519 1.00 0.00 C ATOM 632 C GLU A 40 5.169 3.815 2.828 1.00 0.00 C ATOM 633 O GLU A 40 4.037 3.923 3.298 1.00 0.00 O ATOM 634 CB GLU A 40 5.842 5.983 1.781 1.00 0.00 C ATOM 635 CG GLU A 40 6.520 6.681 0.614 1.00 0.00 C ATOM 636 CD GLU A 40 6.587 8.185 0.795 1.00 0.00 C ATOM 637 OE1 GLU A 40 5.569 8.860 0.537 1.00 0.00 O ATOM 638 OE2 GLU A 40 7.657 8.687 1.193 1.00 0.00 O ATOM 0 H GLU A 40 3.565 4.689 0.841 1.00 0.00 H new ATOM 0 HA GLU A 40 6.437 4.015 1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.908 6.497 2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.476 6.068 2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.530 6.287 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.980 6.453 -0.305 1.00 0.00 H new ATOM 646 N PHE A 41 6.131 3.101 3.407 1.00 0.00 N ATOM 647 CA PHE A 41 5.914 2.385 4.660 1.00 0.00 C ATOM 648 C PHE A 41 6.664 3.045 5.815 1.00 0.00 C ATOM 649 O PHE A 41 7.891 3.142 5.791 1.00 0.00 O ATOM 650 CB PHE A 41 6.375 0.935 4.516 1.00 0.00 C ATOM 651 CG PHE A 41 5.650 0.179 3.440 1.00 0.00 C ATOM 652 CD1 PHE A 41 6.137 0.165 2.144 1.00 0.00 C ATOM 653 CD2 PHE A 41 4.489 -0.521 3.725 1.00 0.00 C ATOM 654 CE1 PHE A 41 5.476 -0.530 1.148 1.00 0.00 C ATOM 655 CE2 PHE A 41 3.824 -1.218 2.734 1.00 0.00 C ATOM 656 CZ PHE A 41 4.318 -1.223 1.444 1.00 0.00 C ATOM 0 H PHE A 41 7.072 3.003 3.026 1.00 0.00 H new ATOM 0 HA PHE A 41 4.847 2.414 4.883 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.444 0.922 4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.235 0.421 5.467 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.043 0.703 1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.099 -0.522 4.732 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.864 -0.531 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.919 -1.758 2.968 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.800 -1.768 0.668 1.00 0.00 H new ATOM 666 N LEU A 42 5.930 3.479 6.836 1.00 0.00 N ATOM 667 CA LEU A 42 6.548 4.105 8.006 1.00 0.00 C ATOM 668 C LEU A 42 6.519 3.167 9.211 1.00 0.00 C ATOM 669 O LEU A 42 6.789 3.570 10.343 1.00 0.00 O ATOM 670 CB LEU A 42 5.858 5.428 8.340 1.00 0.00 C ATOM 671 CG LEU A 42 5.905 6.478 7.229 1.00 0.00 C ATOM 672 CD1 LEU A 42 5.191 7.748 7.664 1.00 0.00 C ATOM 673 CD2 LEU A 42 7.346 6.777 6.842 1.00 0.00 C ATOM 0 H LEU A 42 4.913 3.411 6.879 1.00 0.00 H new ATOM 0 HA LEU A 42 7.590 4.311 7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.815 5.225 8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.320 5.846 9.235 1.00 0.00 H new ATOM 0 HG LEU A 42 5.390 6.080 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.235 8.483 6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.150 7.520 7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.676 8.152 8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.362 7.526 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.885 7.155 7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.824 5.864 6.488 1.00 0.00 H new ATOM 685 N GLU A 43 6.192 1.915 8.942 1.00 0.00 N ATOM 686 CA GLU A 43 6.117 0.876 9.966 1.00 0.00 C ATOM 687 C GLU A 43 7.508 0.447 10.431 1.00 0.00 C ATOM 688 O GLU A 43 8.503 0.719 9.758 1.00 0.00 O ATOM 689 CB GLU A 43 5.360 -0.337 9.424 1.00 0.00 C ATOM 690 CG GLU A 43 6.040 -0.991 8.233 1.00 0.00 C ATOM 691 CD GLU A 43 5.269 -0.795 6.943 1.00 0.00 C ATOM 692 OE1 GLU A 43 5.128 -1.773 6.180 1.00 0.00 O ATOM 693 OE2 GLU A 43 4.807 0.338 6.696 1.00 0.00 O ATOM 0 H GLU A 43 5.969 1.584 8.003 1.00 0.00 H new ATOM 0 HA GLU A 43 5.585 1.290 10.823 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.251 -1.073 10.220 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.355 -0.029 9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.042 -0.578 8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.155 -2.058 8.425 1.00 0.00 H new ATOM 701 N PRO A 44 7.605 -0.202 11.611 1.00 0.00 N ATOM 702 CA PRO A 44 8.864 -0.637 12.187 1.00 0.00 C ATOM 703 C PRO A 44 8.965 -2.164 12.224 1.00 0.00 C ATOM 704 O PRO A 44 8.701 -2.806 13.243 1.00 0.00 O ATOM 705 CB PRO A 44 8.676 -0.106 13.605 1.00 0.00 C ATOM 706 CG PRO A 44 7.206 -0.320 13.888 1.00 0.00 C ATOM 707 CD PRO A 44 6.518 -0.507 12.542 1.00 0.00 C ATOM 0 HA PRO A 44 9.752 -0.301 11.652 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.301 -0.643 14.318 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.946 0.948 13.675 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.058 -1.194 14.522 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.787 0.534 14.420 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.140 -1.521 12.412 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.671 0.167 12.418 1.00 0.00 H new ATOM 715 N VAL A 45 9.345 -2.726 11.082 1.00 0.00 N ATOM 716 CA VAL A 45 9.484 -4.169 10.922 1.00 0.00 C ATOM 717 C VAL A 45 10.710 -4.723 11.646 1.00 0.00 C ATOM 718 O VAL A 45 11.669 -5.156 11.007 1.00 0.00 O ATOM 719 CB VAL A 45 9.543 -4.558 9.432 1.00 0.00 C ATOM 720 CG1 VAL A 45 8.204 -4.294 8.761 1.00 0.00 C ATOM 721 CG2 VAL A 45 10.655 -3.805 8.726 1.00 0.00 C ATOM 0 H VAL A 45 9.566 -2.194 10.240 1.00 0.00 H new ATOM 0 HA VAL A 45 8.599 -4.613 11.377 1.00 0.00 H new ATOM 0 HB VAL A 45 9.758 -5.624 9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.263 -4.574 7.709 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.429 -4.884 9.251 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.959 -3.235 8.841 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.680 -4.094 7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.475 -2.733 8.803 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.611 -4.047 9.191 1.00 0.00 H new ATOM 731 N ASP A 46 10.681 -4.718 12.977 1.00 0.00 N ATOM 732 CA ASP A 46 11.803 -5.238 13.759 1.00 0.00 C ATOM 733 C ASP A 46 12.078 -6.695 13.389 1.00 0.00 C ATOM 734 O ASP A 46 11.493 -7.616 13.960 1.00 0.00 O ATOM 735 CB ASP A 46 11.513 -5.113 15.257 1.00 0.00 C ATOM 736 CG ASP A 46 10.269 -5.873 15.675 1.00 0.00 C ATOM 737 OD1 ASP A 46 9.433 -6.171 14.797 1.00 0.00 O ATOM 738 OD2 ASP A 46 10.130 -6.170 16.880 1.00 0.00 O ATOM 0 H ASP A 46 9.902 -4.364 13.533 1.00 0.00 H new ATOM 0 HA ASP A 46 12.690 -4.648 13.528 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.368 -5.485 15.821 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.395 -4.060 15.514 1.00 0.00 H new ATOM 744 N LEU A 47 12.951 -6.894 12.406 1.00 0.00 N ATOM 745 CA LEU A 47 13.277 -8.237 11.936 1.00 0.00 C ATOM 746 C LEU A 47 14.670 -8.675 12.377 1.00 0.00 C ATOM 747 O LEU A 47 14.985 -9.865 12.359 1.00 0.00 O ATOM 748 CB LEU A 47 13.189 -8.285 10.410 1.00 0.00 C ATOM 749 CG LEU A 47 11.817 -7.949 9.825 1.00 0.00 C ATOM 750 CD1 LEU A 47 11.907 -7.796 8.315 1.00 0.00 C ATOM 751 CD2 LEU A 47 10.802 -9.021 10.195 1.00 0.00 C ATOM 0 H LEU A 47 13.444 -6.145 11.920 1.00 0.00 H new ATOM 0 HA LEU A 47 12.555 -8.924 12.378 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.921 -7.591 9.998 1.00 0.00 H new ATOM 0 HB3 LEU A 47 13.473 -9.283 10.077 1.00 0.00 H new ATOM 0 HG LEU A 47 11.484 -7.001 10.248 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.922 -7.557 7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.603 -6.993 8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.261 -8.728 7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.831 -8.765 9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.129 -9.983 9.800 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.718 -9.084 11.280 1.00 0.00 H new ATOM 763 N ALA A 48 15.503 -7.718 12.768 1.00 0.00 N ATOM 764 CA ALA A 48 16.860 -8.028 13.204 1.00 0.00 C ATOM 765 C ALA A 48 17.640 -8.749 12.105 1.00 0.00 C ATOM 766 O ALA A 48 18.394 -9.685 12.375 1.00 0.00 O ATOM 767 CB ALA A 48 16.824 -8.873 14.468 1.00 0.00 C ATOM 0 H ALA A 48 15.265 -6.726 12.792 1.00 0.00 H new ATOM 0 HA ALA A 48 17.371 -7.090 13.419 1.00 0.00 H new ATOM 0 HB1 ALA A 48 17.843 -9.098 14.784 1.00 0.00 H new ATOM 0 HB2 ALA A 48 16.312 -8.324 15.258 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.292 -9.803 14.269 1.00 0.00 H new ATOM 773 N GLY A 49 17.451 -8.309 10.865 1.00 0.00 N ATOM 774 CA GLY A 49 18.139 -8.924 9.743 1.00 0.00 C ATOM 775 C GLY A 49 17.203 -9.289 8.602 1.00 0.00 C ATOM 776 O GLY A 49 17.607 -9.958 7.652 1.00 0.00 O ATOM 0 H GLY A 49 16.833 -7.537 10.616 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.904 -8.241 9.374 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.652 -9.822 10.086 1.00 0.00 H new ATOM 780 N ILE A 50 15.954 -8.837 8.691 1.00 0.00 N ATOM 781 CA ILE A 50 14.953 -9.103 7.656 1.00 0.00 C ATOM 782 C ILE A 50 14.875 -10.589 7.283 1.00 0.00 C ATOM 783 O ILE A 50 15.397 -11.002 6.245 1.00 0.00 O ATOM 784 CB ILE A 50 15.234 -8.278 6.381 1.00 0.00 C ATOM 785 CG1 ILE A 50 15.452 -6.806 6.735 1.00 0.00 C ATOM 786 CG2 ILE A 50 14.087 -8.419 5.390 1.00 0.00 C ATOM 787 CD1 ILE A 50 16.910 -6.401 6.761 1.00 0.00 C ATOM 0 H ILE A 50 15.608 -8.282 9.473 1.00 0.00 H new ATOM 0 HA ILE A 50 13.995 -8.806 8.082 1.00 0.00 H new ATOM 0 HB ILE A 50 16.142 -8.662 5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.923 -6.185 6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.010 -6.606 7.711 1.00 0.00 H new ATOM 0 HG21 ILE A 50 14.303 -7.831 4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.971 -9.467 5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.165 -8.060 5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.990 -5.345 7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 50 17.440 -6.997 7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 50 17.352 -6.569 5.779 1.00 0.00 H new ATOM 799 N PRO A 51 14.234 -11.423 8.124 1.00 0.00 N ATOM 800 CA PRO A 51 14.095 -12.846 7.884 1.00 0.00 C ATOM 801 C PRO A 51 12.696 -13.202 7.393 1.00 0.00 C ATOM 802 O PRO A 51 12.169 -14.274 7.692 1.00 0.00 O ATOM 803 CB PRO A 51 14.318 -13.395 9.287 1.00 0.00 C ATOM 804 CG PRO A 51 13.724 -12.354 10.201 1.00 0.00 C ATOM 805 CD PRO A 51 13.598 -11.072 9.399 1.00 0.00 C ATOM 0 HA PRO A 51 14.769 -13.233 7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.830 -14.361 9.417 1.00 0.00 H new ATOM 0 HB3 PRO A 51 15.378 -13.543 9.491 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.749 -12.675 10.568 1.00 0.00 H new ATOM 0 HG3 PRO A 51 14.359 -12.201 11.074 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.557 -10.780 9.265 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.103 -10.238 9.887 1.00 0.00 H new ATOM 813 N LEU A 52 12.103 -12.281 6.640 1.00 0.00 N ATOM 814 CA LEU A 52 10.765 -12.464 6.090 1.00 0.00 C ATOM 815 C LEU A 52 10.725 -13.623 5.098 1.00 0.00 C ATOM 816 O LEU A 52 9.753 -14.377 5.051 1.00 0.00 O ATOM 817 CB LEU A 52 10.287 -11.178 5.413 1.00 0.00 C ATOM 818 CG LEU A 52 9.985 -10.022 6.369 1.00 0.00 C ATOM 819 CD1 LEU A 52 9.756 -8.734 5.596 1.00 0.00 C ATOM 820 CD2 LEU A 52 8.777 -10.348 7.232 1.00 0.00 C ATOM 0 H LEU A 52 12.535 -11.390 6.395 1.00 0.00 H new ATOM 0 HA LEU A 52 10.096 -12.703 6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 52 11.048 -10.854 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.388 -11.400 4.838 1.00 0.00 H new ATOM 0 HG LEU A 52 10.847 -9.881 7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.543 -7.924 6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.649 -8.491 5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.911 -8.861 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.576 -9.515 7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.909 -10.516 6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.978 -11.247 7.815 1.00 0.00 H new ATOM 906 N ILE A 59 8.023 -11.058 0.589 1.00 0.00 N ATOM 907 CA ILE A 59 8.753 -9.853 0.999 1.00 0.00 C ATOM 908 C ILE A 59 8.044 -8.573 0.551 1.00 0.00 C ATOM 909 O ILE A 59 8.680 -7.610 0.124 1.00 0.00 O ATOM 910 CB ILE A 59 10.210 -9.859 0.477 1.00 0.00 C ATOM 911 CG1 ILE A 59 11.007 -8.723 1.125 1.00 0.00 C ATOM 912 CG2 ILE A 59 10.254 -9.750 -1.042 1.00 0.00 C ATOM 913 CD1 ILE A 59 11.281 -8.938 2.598 1.00 0.00 C ATOM 0 HA ILE A 59 8.776 -9.867 2.089 1.00 0.00 H new ATOM 0 HB ILE A 59 10.666 -10.810 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.956 -8.611 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.460 -7.789 0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.291 -9.757 -1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.724 -10.595 -1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.778 -8.820 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.849 -8.094 2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.336 -9.020 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 59 11.855 -9.855 2.731 1.00 0.00 H new ATOM 925 N ILE A 60 6.717 -8.576 0.660 1.00 0.00 N ATOM 926 CA ILE A 60 5.896 -7.427 0.274 1.00 0.00 C ATOM 927 C ILE A 60 5.759 -7.326 -1.242 1.00 0.00 C ATOM 928 O ILE A 60 6.738 -7.453 -1.977 1.00 0.00 O ATOM 929 CB ILE A 60 6.463 -6.094 0.816 1.00 0.00 C ATOM 930 CG1 ILE A 60 6.757 -6.204 2.312 1.00 0.00 C ATOM 931 CG2 ILE A 60 5.490 -4.952 0.551 1.00 0.00 C ATOM 932 CD1 ILE A 60 7.729 -5.157 2.814 1.00 0.00 C ATOM 0 H ILE A 60 6.182 -9.368 1.016 1.00 0.00 H new ATOM 0 HA ILE A 60 4.915 -7.595 0.719 1.00 0.00 H new ATOM 0 HB ILE A 60 7.396 -5.882 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.822 -6.116 2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.160 -7.194 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.906 -4.022 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.326 -4.856 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.541 -5.160 1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.892 -5.294 3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.677 -5.258 2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.318 -4.163 2.634 1.00 0.00 H new ATOM 944 N THR A 61 4.533 -7.089 -1.698 1.00 0.00 N ATOM 945 CA THR A 61 4.249 -6.958 -3.123 1.00 0.00 C ATOM 946 C THR A 61 3.243 -5.837 -3.357 1.00 0.00 C ATOM 947 O THR A 61 2.529 -5.435 -2.440 1.00 0.00 O ATOM 948 CB THR A 61 3.707 -8.276 -3.680 1.00 0.00 C ATOM 949 OG1 THR A 61 3.505 -8.182 -5.080 1.00 0.00 O ATOM 950 CG2 THR A 61 2.396 -8.699 -3.055 1.00 0.00 C ATOM 0 H THR A 61 3.716 -6.983 -1.097 1.00 0.00 H new ATOM 0 HA THR A 61 5.176 -6.714 -3.642 1.00 0.00 H new ATOM 0 HB THR A 61 4.462 -9.023 -3.437 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.160 -9.034 -5.419 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.070 -9.641 -3.496 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.530 -8.829 -1.981 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.642 -7.933 -3.237 1.00 0.00 H new ATOM 958 N PHE A 62 3.191 -5.324 -4.583 1.00 0.00 N ATOM 959 CA PHE A 62 2.269 -4.242 -4.905 1.00 0.00 C ATOM 960 C PHE A 62 1.457 -4.554 -6.159 1.00 0.00 C ATOM 961 O PHE A 62 1.983 -4.558 -7.273 1.00 0.00 O ATOM 962 CB PHE A 62 3.039 -2.933 -5.093 1.00 0.00 C ATOM 963 CG PHE A 62 2.158 -1.750 -5.383 1.00 0.00 C ATOM 964 CD1 PHE A 62 1.831 -1.415 -6.688 1.00 0.00 C ATOM 965 CD2 PHE A 62 1.660 -0.972 -4.350 1.00 0.00 C ATOM 966 CE1 PHE A 62 1.022 -0.327 -6.956 1.00 0.00 C ATOM 967 CE2 PHE A 62 0.850 0.117 -4.612 1.00 0.00 C ATOM 968 CZ PHE A 62 0.530 0.440 -5.917 1.00 0.00 C ATOM 0 H PHE A 62 3.770 -5.637 -5.362 1.00 0.00 H new ATOM 0 HA PHE A 62 1.574 -4.137 -4.072 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.619 -2.731 -4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.750 -3.054 -5.910 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.213 -2.011 -7.504 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.908 -1.219 -3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.774 -0.076 -7.977 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.468 0.715 -3.798 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.103 1.290 -6.124 1.00 0.00 H new ATOM 978 N GLU A 63 0.166 -4.789 -5.963 1.00 0.00 N ATOM 979 CA GLU A 63 -0.749 -5.075 -7.058 1.00 0.00 C ATOM 980 C GLU A 63 -0.965 -3.822 -7.896 1.00 0.00 C ATOM 981 O GLU A 63 -0.446 -2.758 -7.569 1.00 0.00 O ATOM 982 CB GLU A 63 -2.085 -5.586 -6.520 1.00 0.00 C ATOM 983 CG GLU A 63 -2.019 -6.998 -5.963 1.00 0.00 C ATOM 984 CD GLU A 63 -2.554 -8.034 -6.932 1.00 0.00 C ATOM 985 OE1 GLU A 63 -1.891 -8.281 -7.961 1.00 0.00 O ATOM 986 OE2 GLU A 63 -3.635 -8.598 -6.662 1.00 0.00 O ATOM 0 H GLU A 63 -0.274 -4.787 -5.043 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.310 -5.851 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.433 -4.912 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.825 -5.555 -7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.985 -7.238 -5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.589 -7.045 -5.035 1.00 0.00 H new ATOM 994 N PRO A 64 -1.740 -3.907 -8.982 1.00 0.00 N ATOM 995 CA PRO A 64 -1.986 -2.787 -9.857 1.00 0.00 C ATOM 996 C PRO A 64 -3.399 -2.291 -9.649 1.00 0.00 C ATOM 997 O PRO A 64 -4.341 -2.694 -10.331 1.00 0.00 O ATOM 998 CB PRO A 64 -1.851 -3.455 -11.219 1.00 0.00 C ATOM 999 CG PRO A 64 -2.388 -4.849 -11.009 1.00 0.00 C ATOM 1000 CD PRO A 64 -2.401 -5.105 -9.510 1.00 0.00 C ATOM 0 HA PRO A 64 -1.332 -1.928 -9.712 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.419 -2.921 -11.981 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.813 -3.475 -11.550 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.392 -4.941 -11.424 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.764 -5.583 -11.519 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.415 -5.213 -9.125 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.862 -6.016 -9.248 1.00 0.00 H new ATOM 1008 N LYS A 65 -3.490 -1.469 -8.601 1.00 0.00 N ATOM 1009 CA LYS A 65 -4.724 -0.884 -8.070 1.00 0.00 C ATOM 1010 C LYS A 65 -5.063 -1.605 -6.765 1.00 0.00 C ATOM 1011 O LYS A 65 -6.159 -1.459 -6.222 1.00 0.00 O ATOM 1012 CB LYS A 65 -5.912 -0.958 -9.046 1.00 0.00 C ATOM 1013 CG LYS A 65 -5.768 -0.042 -10.250 1.00 0.00 C ATOM 1014 CD LYS A 65 -6.966 -0.146 -11.180 1.00 0.00 C ATOM 1015 CE LYS A 65 -6.993 -1.481 -11.906 1.00 0.00 C ATOM 1016 NZ LYS A 65 -8.265 -1.680 -12.655 1.00 0.00 N ATOM 0 H LYS A 65 -2.666 -1.179 -8.074 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.549 0.179 -7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.023 -1.985 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.827 -0.701 -8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.657 0.988 -9.912 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.860 -0.298 -10.796 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.885 -0.024 -10.607 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.934 0.665 -11.908 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.152 -1.535 -12.597 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.866 -2.289 -11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.244 -2.602 -13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.066 -1.654 -11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.374 -0.924 -13.360 1.00 0.00 H new ATOM 1030 N THR A 66 -4.089 -2.388 -6.266 1.00 0.00 N ATOM 1031 CA THR A 66 -4.256 -3.138 -5.024 1.00 0.00 C ATOM 1032 C THR A 66 -2.914 -3.288 -4.312 1.00 0.00 C ATOM 1033 O THR A 66 -1.866 -3.338 -4.956 1.00 0.00 O ATOM 1034 CB THR A 66 -4.857 -4.515 -5.307 1.00 0.00 C ATOM 1035 OG1 THR A 66 -6.038 -4.397 -6.081 1.00 0.00 O ATOM 1036 CG2 THR A 66 -5.205 -5.285 -4.052 1.00 0.00 C ATOM 0 H THR A 66 -3.179 -2.513 -6.711 1.00 0.00 H new ATOM 0 HA THR A 66 -4.938 -2.586 -4.377 1.00 0.00 H new ATOM 0 HB THR A 66 -4.084 -5.062 -5.847 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.407 -5.289 -6.253 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.627 -6.253 -4.324 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.305 -5.436 -3.456 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.935 -4.722 -3.470 1.00 0.00 H new ATOM 1044 N CYS A 67 -2.945 -3.361 -2.987 1.00 0.00 N ATOM 1045 CA CYS A 67 -1.720 -3.509 -2.209 1.00 0.00 C ATOM 1046 C CYS A 67 -1.740 -4.792 -1.385 1.00 0.00 C ATOM 1047 O CYS A 67 -2.701 -5.068 -0.667 1.00 0.00 O ATOM 1048 CB CYS A 67 -1.527 -2.301 -1.290 1.00 0.00 C ATOM 1049 SG CYS A 67 -1.117 -0.771 -2.162 1.00 0.00 S ATOM 0 H CYS A 67 -3.799 -3.321 -2.431 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.885 -3.566 -2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.440 -2.146 -0.715 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.734 -2.524 -0.576 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.235 -1.020 -3.084 1.00 0.00 H new ATOM 1055 N ILE A 68 -0.665 -5.568 -1.488 1.00 0.00 N ATOM 1056 CA ILE A 68 -0.549 -6.821 -0.752 1.00 0.00 C ATOM 1057 C ILE A 68 0.669 -6.779 0.171 1.00 0.00 C ATOM 1058 O ILE A 68 1.799 -6.599 -0.286 1.00 0.00 O ATOM 1059 CB ILE A 68 -0.432 -8.024 -1.720 1.00 0.00 C ATOM 1060 CG1 ILE A 68 -1.672 -8.101 -2.613 1.00 0.00 C ATOM 1061 CG2 ILE A 68 -0.257 -9.330 -0.954 1.00 0.00 C ATOM 1062 CD1 ILE A 68 -1.539 -9.095 -3.746 1.00 0.00 C ATOM 0 H ILE A 68 0.140 -5.350 -2.076 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.451 -6.946 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 68 0.450 -7.875 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.534 -8.371 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.873 -7.113 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.178 -10.157 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.649 -9.279 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.117 -9.489 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.454 -9.097 -4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.698 -8.814 -4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.369 -10.091 -3.338 1.00 0.00 H new ATOM 1074 N ILE A 69 0.433 -6.928 1.471 1.00 0.00 N ATOM 1075 CA ILE A 69 1.514 -6.890 2.450 1.00 0.00 C ATOM 1076 C ILE A 69 1.909 -8.296 2.909 1.00 0.00 C ATOM 1077 O ILE A 69 3.007 -8.771 2.612 1.00 0.00 O ATOM 1078 CB ILE A 69 1.119 -6.032 3.677 1.00 0.00 C ATOM 1079 CG1 ILE A 69 0.797 -4.603 3.237 1.00 0.00 C ATOM 1080 CG2 ILE A 69 2.231 -6.018 4.721 1.00 0.00 C ATOM 1081 CD1 ILE A 69 0.172 -3.760 4.326 1.00 0.00 C ATOM 0 H ILE A 69 -0.494 -7.076 1.870 1.00 0.00 H new ATOM 0 HA ILE A 69 2.374 -6.435 1.959 1.00 0.00 H new ATOM 0 HB ILE A 69 0.233 -6.478 4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.714 -4.121 2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.120 -4.638 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.925 -5.408 5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.427 -7.036 5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.137 -5.600 4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.029 -2.760 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.762 -4.219 4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.856 -3.693 5.172 1.00 0.00 H new ATOM 1093 N TYR A 70 1.019 -8.947 3.654 1.00 0.00 N ATOM 1094 CA TYR A 70 1.287 -10.284 4.179 1.00 0.00 C ATOM 1095 C TYR A 70 1.538 -11.300 3.064 1.00 0.00 C ATOM 1096 O TYR A 70 2.525 -12.035 3.100 1.00 0.00 O ATOM 1097 CB TYR A 70 0.113 -10.746 5.049 1.00 0.00 C ATOM 1098 CG TYR A 70 0.291 -12.126 5.644 1.00 0.00 C ATOM 1099 CD1 TYR A 70 0.899 -12.299 6.881 1.00 0.00 C ATOM 1100 CD2 TYR A 70 -0.153 -13.258 4.967 1.00 0.00 C ATOM 1101 CE1 TYR A 70 1.061 -13.558 7.428 1.00 0.00 C ATOM 1102 CE2 TYR A 70 0.005 -14.520 5.508 1.00 0.00 C ATOM 1103 CZ TYR A 70 0.613 -14.665 6.737 1.00 0.00 C ATOM 1104 OH TYR A 70 0.772 -15.919 7.277 1.00 0.00 O ATOM 0 H TYR A 70 0.106 -8.571 3.908 1.00 0.00 H new ATOM 0 HA TYR A 70 2.194 -10.225 4.780 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.030 -10.029 5.857 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.797 -10.735 4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.251 -11.435 7.425 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.629 -13.149 4.004 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.536 -13.675 8.391 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.346 -15.389 4.971 1.00 0.00 H new ATOM 0 HH TYR A 70 1.669 -15.997 7.664 1.00 0.00 H new ATOM 1114 N ALA A 71 0.644 -11.341 2.081 1.00 0.00 N ATOM 1115 CA ALA A 71 0.776 -12.279 0.965 1.00 0.00 C ATOM 1116 C ALA A 71 -0.395 -12.161 0.004 1.00 0.00 C ATOM 1117 O ALA A 71 -1.452 -11.640 0.358 1.00 0.00 O ATOM 1118 CB ALA A 71 0.883 -13.712 1.474 1.00 0.00 C ATOM 0 H ALA A 71 -0.178 -10.739 2.032 1.00 0.00 H new ATOM 0 HA ALA A 71 1.690 -12.023 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.980 -14.392 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.758 -13.805 2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.013 -13.964 2.041 1.00 0.00 H new ATOM 1124 N ASN A 72 -0.206 -12.661 -1.212 1.00 0.00 N ATOM 1125 CA ASN A 72 -1.255 -12.631 -2.222 1.00 0.00 C ATOM 1126 C ASN A 72 -2.469 -13.411 -1.733 1.00 0.00 C ATOM 1127 O ASN A 72 -3.600 -12.998 -1.945 1.00 0.00 O ATOM 1128 CB ASN A 72 -0.752 -13.218 -3.540 1.00 0.00 C ATOM 1129 CG ASN A 72 0.263 -12.323 -4.222 1.00 0.00 C ATOM 1130 OD1 ASN A 72 0.331 -11.125 -3.950 1.00 0.00 O ATOM 1131 ND2 ASN A 72 1.059 -12.901 -5.113 1.00 0.00 N ATOM 0 H ASN A 72 0.665 -13.092 -1.522 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.541 -11.593 -2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.304 -14.194 -3.352 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.597 -13.379 -4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.762 -12.348 -5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.968 -13.898 -5.307 1.00 0.00 H new ATOM 1138 N LEU A 73 -2.189 -14.533 -1.071 1.00 0.00 N ATOM 1139 CA LEU A 73 -3.201 -15.432 -0.497 1.00 0.00 C ATOM 1140 C LEU A 73 -3.917 -14.809 0.710 1.00 0.00 C ATOM 1141 O LEU A 73 -3.438 -14.929 1.837 1.00 0.00 O ATOM 1142 CB LEU A 73 -2.554 -16.755 -0.085 1.00 0.00 C ATOM 1143 CG LEU A 73 -3.511 -17.796 0.499 1.00 0.00 C ATOM 1144 CD1 LEU A 73 -3.376 -19.119 -0.243 1.00 0.00 C ATOM 1145 CD2 LEU A 73 -3.247 -17.987 1.984 1.00 0.00 C ATOM 0 H LEU A 73 -1.233 -14.853 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.950 -15.609 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.061 -17.187 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.777 -16.547 0.650 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.532 -17.435 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.064 -19.848 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.614 -18.971 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.354 -19.486 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.936 -18.731 2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.222 -18.327 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.393 -17.040 2.504 1.00 0.00 H new ATOM 1157 N PRO A 74 -5.064 -14.120 0.513 1.00 0.00 N ATOM 1158 CA PRO A 74 -5.794 -13.494 1.621 1.00 0.00 C ATOM 1159 C PRO A 74 -6.502 -14.512 2.507 1.00 0.00 C ATOM 1160 O PRO A 74 -7.551 -14.223 3.083 1.00 0.00 O ATOM 1161 CB PRO A 74 -6.815 -12.607 0.911 1.00 0.00 C ATOM 1162 CG PRO A 74 -7.060 -13.286 -0.390 1.00 0.00 C ATOM 1163 CD PRO A 74 -5.751 -13.921 -0.779 1.00 0.00 C ATOM 0 HA PRO A 74 -5.126 -12.954 2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.734 -12.517 1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.430 -11.598 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -7.845 -14.036 -0.297 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.388 -12.573 -1.147 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.903 -14.865 -1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.175 -13.278 -1.444 1.00 0.00 H new ATOM 1171 N ASN A 75 -5.922 -15.704 2.617 1.00 0.00 N ATOM 1172 CA ASN A 75 -6.507 -16.757 3.441 1.00 0.00 C ATOM 1173 C ASN A 75 -5.676 -16.996 4.698 1.00 0.00 C ATOM 1174 O ASN A 75 -6.224 -17.273 5.757 1.00 0.00 O ATOM 1175 CB ASN A 75 -6.624 -18.055 2.637 1.00 0.00 C ATOM 1176 CG ASN A 75 -7.679 -17.972 1.551 1.00 0.00 C ATOM 1177 OD1 ASN A 75 -8.576 -17.130 1.602 1.00 0.00 O ATOM 1178 ND2 ASN A 75 -7.575 -18.849 0.558 1.00 0.00 N ATOM 0 H ASN A 75 -5.053 -15.964 2.149 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.502 -16.433 3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.660 -18.287 2.185 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.866 -18.876 3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.255 -18.842 -0.202 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.815 -19.530 0.556 1.00 0.00 H new ATOM 1185 N ARG A 76 -4.357 -16.883 4.549 1.00 0.00 N ATOM 1186 CA ARG A 76 -3.385 -17.068 5.639 1.00 0.00 C ATOM 1187 C ARG A 76 -3.426 -15.928 6.667 1.00 0.00 C ATOM 1188 O ARG A 76 -2.745 -14.917 6.489 1.00 0.00 O ATOM 1189 CB ARG A 76 -1.972 -17.201 5.067 1.00 0.00 C ATOM 1190 CG ARG A 76 -1.631 -18.609 4.609 1.00 0.00 C ATOM 1191 CD ARG A 76 -0.962 -19.410 5.714 1.00 0.00 C ATOM 1192 NE ARG A 76 -1.910 -20.274 6.416 1.00 0.00 N ATOM 1193 CZ ARG A 76 -1.802 -21.602 6.478 1.00 0.00 C ATOM 1194 NH1 ARG A 76 -0.791 -22.222 5.882 1.00 0.00 N ATOM 1195 NH2 ARG A 76 -2.709 -22.309 7.139 1.00 0.00 N ATOM 0 H ARG A 76 -3.921 -16.657 3.655 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.662 -17.984 6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.864 -16.518 4.224 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.252 -16.890 5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.540 -19.118 4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.971 -18.561 3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.164 -20.018 5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.498 -18.728 6.426 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.701 -19.835 6.886 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.091 -21.683 5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.714 -23.238 5.933 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.488 -21.837 7.599 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.628 -23.325 7.187 1.00 0.00 H new ATOM 1209 N PRO A 77 -4.217 -16.052 7.754 1.00 0.00 N ATOM 1210 CA PRO A 77 -4.311 -15.008 8.768 1.00 0.00 C ATOM 1211 C PRO A 77 -3.289 -15.192 9.885 1.00 0.00 C ATOM 1212 O PRO A 77 -3.537 -14.830 11.034 1.00 0.00 O ATOM 1213 CB PRO A 77 -5.728 -15.208 9.297 1.00 0.00 C ATOM 1214 CG PRO A 77 -5.963 -16.683 9.202 1.00 0.00 C ATOM 1215 CD PRO A 77 -5.062 -17.207 8.104 1.00 0.00 C ATOM 0 HA PRO A 77 -4.111 -14.012 8.373 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.820 -14.857 10.325 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.454 -14.652 8.704 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.738 -17.171 10.150 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.008 -16.893 8.976 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.463 -18.050 8.448 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.638 -17.554 7.246 1.00 0.00 H new ATOM 1223 N LYS A 78 -2.137 -15.756 9.536 1.00 0.00 N ATOM 1224 CA LYS A 78 -1.071 -15.986 10.506 1.00 0.00 C ATOM 1225 C LYS A 78 -0.611 -14.677 11.142 1.00 0.00 C ATOM 1226 O LYS A 78 -0.344 -14.618 12.343 1.00 0.00 O ATOM 1227 CB LYS A 78 0.113 -16.686 9.839 1.00 0.00 C ATOM 1228 CG LYS A 78 -0.187 -18.113 9.412 1.00 0.00 C ATOM 1229 CD LYS A 78 -0.346 -19.030 10.614 1.00 0.00 C ATOM 1230 CE LYS A 78 -0.646 -20.458 10.188 1.00 0.00 C ATOM 1231 NZ LYS A 78 -0.709 -21.385 11.351 1.00 0.00 N ATOM 0 H LYS A 78 -1.917 -16.062 8.588 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.468 -16.627 11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.419 -16.111 8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.957 -16.692 10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.099 -18.132 8.815 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.618 -18.481 8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.566 -19.011 11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.151 -18.662 11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.594 -20.485 9.651 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.123 -20.798 9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.916 -22.348 11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.204 -21.380 11.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.460 -21.076 12.001 1.00 0.00 H new ATOM 1245 N ARG A 79 -0.521 -13.629 10.329 1.00 0.00 N ATOM 1246 CA ARG A 79 -0.090 -12.320 10.810 1.00 0.00 C ATOM 1247 C ARG A 79 1.322 -12.399 11.402 1.00 0.00 C ATOM 1248 O ARG A 79 2.308 -12.218 10.689 1.00 0.00 O ATOM 1249 CB ARG A 79 -1.086 -11.776 11.843 1.00 0.00 C ATOM 1250 CG ARG A 79 -2.426 -11.378 11.245 1.00 0.00 C ATOM 1251 CD ARG A 79 -3.375 -10.847 12.307 1.00 0.00 C ATOM 1252 NE ARG A 79 -2.842 -9.659 12.972 1.00 0.00 N ATOM 1253 CZ ARG A 79 -3.441 -9.044 13.992 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -4.593 -9.501 14.468 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -2.885 -7.971 14.537 1.00 0.00 N ATOM 0 H ARG A 79 -0.741 -13.660 9.333 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.063 -11.632 9.965 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.250 -12.532 12.610 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -0.647 -10.910 12.338 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.272 -10.617 10.480 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.876 -12.240 10.752 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.334 -10.606 11.849 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.562 -11.624 13.048 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.958 -9.278 12.635 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.025 -10.327 14.053 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.047 -9.026 15.249 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.999 -7.616 14.176 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.343 -7.500 15.317 1.00 0.00 H new ATOM 1269 N GLY A 80 1.415 -12.672 12.702 1.00 0.00 N ATOM 1270 CA GLY A 80 2.712 -12.772 13.348 1.00 0.00 C ATOM 1271 C GLY A 80 3.196 -11.442 13.892 1.00 0.00 C ATOM 1272 O GLY A 80 2.513 -10.426 13.767 1.00 0.00 O ATOM 0 H GLY A 80 0.616 -12.825 13.318 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.653 -13.494 14.163 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.441 -13.155 12.634 1.00 0.00 H new ATOM 1276 N GLU A 81 4.379 -11.452 14.497 1.00 0.00 N ATOM 1277 CA GLU A 81 4.959 -10.242 15.067 1.00 0.00 C ATOM 1278 C GLU A 81 6.284 -9.902 14.392 1.00 0.00 C ATOM 1279 O GLU A 81 7.087 -10.788 14.097 1.00 0.00 O ATOM 1280 CB GLU A 81 5.169 -10.412 16.572 1.00 0.00 C ATOM 1281 CG GLU A 81 3.874 -10.450 17.367 1.00 0.00 C ATOM 1282 CD GLU A 81 4.107 -10.619 18.855 1.00 0.00 C ATOM 1283 OE1 GLU A 81 4.052 -9.606 19.584 1.00 0.00 O ATOM 1284 OE2 GLU A 81 4.346 -11.764 19.292 1.00 0.00 O ATOM 0 H GLU A 81 4.956 -12.286 14.605 1.00 0.00 H new ATOM 0 HA GLU A 81 4.264 -9.421 14.895 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.723 -11.334 16.751 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.787 -9.592 16.939 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.318 -9.529 17.193 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.254 -11.270 17.005 1.00 0.00 H new ATOM 1292 N GLY A 82 6.508 -8.614 14.151 1.00 0.00 N ATOM 1293 CA GLY A 82 7.737 -8.180 13.514 1.00 0.00 C ATOM 1294 C GLY A 82 7.492 -7.250 12.342 1.00 0.00 C ATOM 1295 O GLY A 82 8.078 -6.171 12.269 1.00 0.00 O ATOM 0 H GLY A 82 5.859 -7.863 14.386 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.363 -7.674 14.249 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.291 -9.053 13.170 1.00 0.00 H new ATOM 1299 N ILE A 83 6.623 -7.664 11.426 1.00 0.00 N ATOM 1300 CA ILE A 83 6.309 -6.849 10.258 1.00 0.00 C ATOM 1301 C ILE A 83 4.990 -6.102 10.450 1.00 0.00 C ATOM 1302 O ILE A 83 3.918 -6.706 10.485 1.00 0.00 O ATOM 1303 CB ILE A 83 6.240 -7.708 8.975 1.00 0.00 C ATOM 1304 CG1 ILE A 83 6.028 -6.822 7.744 1.00 0.00 C ATOM 1305 CG2 ILE A 83 5.138 -8.751 9.079 1.00 0.00 C ATOM 1306 CD1 ILE A 83 6.191 -7.561 6.433 1.00 0.00 C ATOM 0 H ILE A 83 6.126 -8.554 11.469 1.00 0.00 H new ATOM 0 HA ILE A 83 7.114 -6.122 10.146 1.00 0.00 H new ATOM 0 HB ILE A 83 7.191 -8.229 8.865 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.029 -6.389 7.786 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.736 -5.994 7.776 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.110 -9.343 8.164 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.335 -9.405 9.928 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.178 -8.254 9.219 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.027 -6.872 5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 83 7.199 -7.972 6.370 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.465 -8.372 6.380 1.00 0.00 H new ATOM 1318 N ASN A 84 5.082 -4.782 10.573 1.00 0.00 N ATOM 1319 CA ASN A 84 3.905 -3.940 10.759 1.00 0.00 C ATOM 1320 C ASN A 84 3.449 -3.343 9.432 1.00 0.00 C ATOM 1321 O ASN A 84 4.266 -3.055 8.561 1.00 0.00 O ATOM 1322 CB ASN A 84 4.205 -2.822 11.760 1.00 0.00 C ATOM 1323 CG ASN A 84 4.602 -3.356 13.122 1.00 0.00 C ATOM 1324 OD1 ASN A 84 5.664 -3.021 13.648 1.00 0.00 O ATOM 1325 ND2 ASN A 84 3.751 -4.193 13.701 1.00 0.00 N ATOM 0 H ASN A 84 5.964 -4.270 10.547 1.00 0.00 H new ATOM 0 HA ASN A 84 3.101 -4.563 11.152 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.007 -2.195 11.371 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.326 -2.186 11.864 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.966 -4.586 14.618 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.882 -4.444 13.230 1.00 0.00 H new ATOM 1332 N VAL A 85 2.141 -3.159 9.282 1.00 0.00 N ATOM 1333 CA VAL A 85 1.594 -2.592 8.055 1.00 0.00 C ATOM 1334 C VAL A 85 1.162 -1.144 8.265 1.00 0.00 C ATOM 1335 O VAL A 85 0.206 -0.674 7.648 1.00 0.00 O ATOM 1336 CB VAL A 85 0.389 -3.409 7.550 1.00 0.00 C ATOM 1337 CG1 VAL A 85 0.835 -4.786 7.084 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.670 -3.525 8.634 1.00 0.00 C ATOM 0 H VAL A 85 1.445 -3.393 9.990 1.00 0.00 H new ATOM 0 HA VAL A 85 2.386 -2.627 7.307 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.049 -2.886 6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.029 -5.348 6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.555 -4.680 6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.300 -5.318 7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.513 -4.105 8.259 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.246 -4.024 9.505 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.012 -2.529 8.917 1.00 0.00 H new ATOM 1348 N ARG A 86 1.883 -0.438 9.131 1.00 0.00 N ATOM 1349 CA ARG A 86 1.585 0.961 9.418 1.00 0.00 C ATOM 1350 C ARG A 86 2.153 1.865 8.323 1.00 0.00 C ATOM 1351 O ARG A 86 3.056 2.665 8.567 1.00 0.00 O ATOM 1352 CB ARG A 86 2.156 1.355 10.782 1.00 0.00 C ATOM 1353 CG ARG A 86 1.887 2.802 11.162 1.00 0.00 C ATOM 1354 CD ARG A 86 2.470 3.137 12.526 1.00 0.00 C ATOM 1355 NE ARG A 86 2.217 4.526 12.904 1.00 0.00 N ATOM 1356 CZ ARG A 86 2.412 5.011 14.131 1.00 0.00 C ATOM 1357 NH1 ARG A 86 2.864 4.225 15.101 1.00 0.00 N ATOM 1358 NH2 ARG A 86 2.155 6.286 14.387 1.00 0.00 N ATOM 0 H ARG A 86 2.679 -0.813 9.647 1.00 0.00 H new ATOM 0 HA ARG A 86 0.503 1.087 9.442 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.732 0.703 11.546 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.232 1.184 10.779 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.316 3.463 10.409 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.812 2.984 11.170 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.041 2.473 13.277 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.544 2.954 12.516 1.00 0.00 H new ATOM 0 HE ARG A 86 1.871 5.163 12.186 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.065 3.243 14.910 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.011 4.603 16.037 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.808 6.895 13.646 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.304 6.658 15.325 1.00 0.00 H new ATOM 1372 N ALA A 87 1.624 1.725 7.112 1.00 0.00 N ATOM 1373 CA ALA A 87 2.087 2.522 5.982 1.00 0.00 C ATOM 1374 C ALA A 87 0.921 3.047 5.152 1.00 0.00 C ATOM 1375 O ALA A 87 -0.188 2.518 5.213 1.00 0.00 O ATOM 1376 CB ALA A 87 3.023 1.701 5.111 1.00 0.00 C ATOM 0 H ALA A 87 0.876 1.069 6.888 1.00 0.00 H new ATOM 0 HA ALA A 87 2.627 3.382 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.362 2.306 4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.883 1.383 5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.496 0.824 4.737 1.00 0.00 H new ATOM 1382 N ARG A 88 1.187 4.091 4.373 1.00 0.00 N ATOM 1383 CA ARG A 88 0.168 4.691 3.521 1.00 0.00 C ATOM 1384 C ARG A 88 0.430 4.351 2.058 1.00 0.00 C ATOM 1385 O ARG A 88 1.547 4.510 1.564 1.00 0.00 O ATOM 1386 CB ARG A 88 0.148 6.209 3.709 1.00 0.00 C ATOM 1387 CG ARG A 88 -0.378 6.651 5.064 1.00 0.00 C ATOM 1388 CD ARG A 88 -0.376 8.164 5.197 1.00 0.00 C ATOM 1389 NE ARG A 88 -0.880 8.602 6.498 1.00 0.00 N ATOM 1390 CZ ARG A 88 -0.770 9.847 6.960 1.00 0.00 C ATOM 1391 NH1 ARG A 88 -0.176 10.784 6.231 1.00 0.00 N ATOM 1392 NH2 ARG A 88 -1.257 10.155 8.153 1.00 0.00 N ATOM 0 H ARG A 88 2.101 4.539 4.315 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.803 4.286 3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.159 6.596 3.578 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.467 6.655 2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.391 6.274 5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.235 6.215 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.638 8.539 5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.988 8.598 4.407 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.344 7.912 7.088 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.200 10.553 5.311 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.095 11.735 6.591 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.716 9.439 8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.173 11.108 8.508 1.00 0.00 H new ATOM 1406 N ILE A 89 -0.602 3.875 1.371 1.00 0.00 N ATOM 1407 CA ILE A 89 -0.478 3.502 -0.032 1.00 0.00 C ATOM 1408 C ILE A 89 -1.180 4.502 -0.946 1.00 0.00 C ATOM 1409 O ILE A 89 -2.342 4.844 -0.734 1.00 0.00 O ATOM 1410 CB ILE A 89 -1.055 2.094 -0.288 1.00 0.00 C ATOM 1411 CG1 ILE A 89 -2.538 2.047 0.086 1.00 0.00 C ATOM 1412 CG2 ILE A 89 -0.271 1.051 0.495 1.00 0.00 C ATOM 1413 CD1 ILE A 89 -3.234 0.778 -0.357 1.00 0.00 C ATOM 0 H ILE A 89 -1.534 3.738 1.763 1.00 0.00 H new ATOM 0 HA ILE A 89 0.588 3.503 -0.262 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.963 1.868 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.635 2.146 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.044 2.904 -0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.689 0.063 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.773 1.070 0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.334 1.273 1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.282 0.814 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.169 0.687 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.753 -0.082 0.109 1.00 0.00 H new ATOM 1425 N THR A 90 -0.466 4.959 -1.970 1.00 0.00 N ATOM 1426 CA THR A 90 -1.020 5.910 -2.925 1.00 0.00 C ATOM 1427 C THR A 90 -1.318 5.220 -4.253 1.00 0.00 C ATOM 1428 O THR A 90 -0.422 4.671 -4.893 1.00 0.00 O ATOM 1429 CB THR A 90 -0.050 7.072 -3.144 1.00 0.00 C ATOM 1430 OG1 THR A 90 0.251 7.712 -1.917 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.581 8.126 -4.092 1.00 0.00 C ATOM 0 H THR A 90 0.498 4.685 -2.159 1.00 0.00 H new ATOM 0 HA THR A 90 -1.952 6.302 -2.518 1.00 0.00 H new ATOM 0 HB THR A 90 0.840 6.624 -3.586 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.874 8.451 -2.078 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.157 8.921 -4.202 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.777 7.675 -5.065 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.506 8.542 -3.692 1.00 0.00 H new ATOM 1439 N CYS A 91 -2.583 5.246 -4.657 1.00 0.00 N ATOM 1440 CA CYS A 91 -3.000 4.617 -5.905 1.00 0.00 C ATOM 1441 C CYS A 91 -2.797 5.553 -7.091 1.00 0.00 C ATOM 1442 O CYS A 91 -2.909 6.771 -6.962 1.00 0.00 O ATOM 1443 CB CYS A 91 -4.467 4.194 -5.822 1.00 0.00 C ATOM 1444 SG CYS A 91 -4.787 2.876 -4.627 1.00 0.00 S ATOM 0 H CYS A 91 -3.338 5.696 -4.139 1.00 0.00 H new ATOM 0 HA CYS A 91 -2.379 3.734 -6.057 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -5.070 5.063 -5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -4.795 3.864 -6.808 1.00 0.00 H new ATOM 0 HG CYS A 91 -5.917 3.101 -4.025 1.00 0.00 H new ATOM 1450 N PHE A 92 -2.498 4.971 -8.248 1.00 0.00 N ATOM 1451 CA PHE A 92 -2.279 5.745 -9.464 1.00 0.00 C ATOM 1452 C PHE A 92 -3.604 6.230 -10.047 1.00 0.00 C ATOM 1453 O PHE A 92 -4.675 5.781 -9.641 1.00 0.00 O ATOM 1454 CB PHE A 92 -1.526 4.905 -10.497 1.00 0.00 C ATOM 1455 CG PHE A 92 -2.294 3.703 -10.969 1.00 0.00 C ATOM 1456 CD1 PHE A 92 -2.177 2.490 -10.311 1.00 0.00 C ATOM 1457 CD2 PHE A 92 -3.130 3.788 -12.069 1.00 0.00 C ATOM 1458 CE1 PHE A 92 -2.881 1.382 -10.743 1.00 0.00 C ATOM 1459 CE2 PHE A 92 -3.835 2.683 -12.506 1.00 0.00 C ATOM 1460 CZ PHE A 92 -3.711 1.479 -11.843 1.00 0.00 C ATOM 0 H PHE A 92 -2.402 3.963 -8.369 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.677 6.617 -9.209 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.284 5.531 -11.356 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.581 4.576 -10.066 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.529 2.409 -9.451 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.232 4.728 -12.591 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.782 0.442 -10.221 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.483 2.761 -13.366 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.262 0.615 -12.183 1.00 0.00 H new ATOM 1470 N ASN A 93 -3.521 7.160 -10.992 1.00 0.00 N ATOM 1471 CA ASN A 93 -4.701 7.720 -11.625 1.00 0.00 C ATOM 1472 C ASN A 93 -5.294 6.748 -12.631 1.00 0.00 C ATOM 1473 O ASN A 93 -4.746 6.528 -13.711 1.00 0.00 O ATOM 1474 CB ASN A 93 -4.355 9.038 -12.318 1.00 0.00 C ATOM 1475 CG ASN A 93 -4.050 10.147 -11.332 1.00 0.00 C ATOM 1476 OD1 ASN A 93 -4.501 10.116 -10.187 1.00 0.00 O ATOM 1477 ND2 ASN A 93 -3.280 11.135 -11.771 1.00 0.00 N ATOM 0 H ASN A 93 -2.640 7.542 -11.336 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.443 7.907 -10.849 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.494 8.888 -12.969 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.187 9.340 -12.954 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.040 11.909 -11.151 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.928 11.120 -12.728 1.00 0.00 H new ATOM 1484 N CYS A 94 -6.426 6.181 -12.258 1.00 0.00 N ATOM 1485 CA CYS A 94 -7.139 5.230 -13.106 1.00 0.00 C ATOM 1486 C CYS A 94 -8.136 5.948 -14.022 1.00 0.00 C ATOM 1487 O CYS A 94 -8.843 5.313 -14.804 1.00 0.00 O ATOM 1488 CB CYS A 94 -7.877 4.204 -12.244 1.00 0.00 C ATOM 1489 SG CYS A 94 -6.791 3.047 -11.378 1.00 0.00 S ATOM 0 H CYS A 94 -6.880 6.362 -11.363 1.00 0.00 H new ATOM 0 HA CYS A 94 -6.405 4.718 -13.728 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.485 4.733 -11.510 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -8.561 3.639 -12.877 1.00 0.00 H new ATOM 0 HG CYS A 94 -5.632 3.018 -11.965 1.00 0.00 H new ATOM 1495 N TYR A 95 -8.194 7.271 -13.911 1.00 0.00 N ATOM 1496 CA TYR A 95 -9.104 8.081 -14.721 1.00 0.00 C ATOM 1497 C TYR A 95 -9.038 7.731 -16.216 1.00 0.00 C ATOM 1498 O TYR A 95 -10.074 7.609 -16.869 1.00 0.00 O ATOM 1499 CB TYR A 95 -8.808 9.570 -14.524 1.00 0.00 C ATOM 1500 CG TYR A 95 -10.021 10.456 -14.705 1.00 0.00 C ATOM 1501 CD1 TYR A 95 -10.954 10.611 -13.685 1.00 0.00 C ATOM 1502 CD2 TYR A 95 -10.239 11.132 -15.899 1.00 0.00 C ATOM 1503 CE1 TYR A 95 -12.066 11.414 -13.851 1.00 0.00 C ATOM 1504 CE2 TYR A 95 -11.348 11.938 -16.072 1.00 0.00 C ATOM 1505 CZ TYR A 95 -12.258 12.075 -15.046 1.00 0.00 C ATOM 1506 OH TYR A 95 -13.365 12.875 -15.214 1.00 0.00 O ATOM 0 H TYR A 95 -7.618 7.810 -13.264 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.114 7.856 -14.379 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.403 9.722 -13.524 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.036 9.875 -15.231 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.807 10.095 -12.748 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.529 11.026 -16.706 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.781 11.523 -13.049 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -11.501 12.458 -17.006 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.351 13.269 -16.111 1.00 0.00 H new ATOM 1766 N GLN A 111 -16.564 13.068 -13.776 1.00 0.00 N ATOM 1767 CA GLN A 111 -17.531 12.200 -14.437 1.00 0.00 C ATOM 1768 C GLN A 111 -17.632 10.849 -13.734 1.00 0.00 C ATOM 1769 O GLN A 111 -18.723 10.300 -13.583 1.00 0.00 O ATOM 1770 CB GLN A 111 -17.137 11.996 -15.902 1.00 0.00 C ATOM 1771 CG GLN A 111 -18.103 11.115 -16.678 1.00 0.00 C ATOM 1772 CD GLN A 111 -19.509 11.682 -16.714 1.00 0.00 C ATOM 1773 OE1 GLN A 111 -19.724 12.811 -17.157 1.00 0.00 O ATOM 1774 NE2 GLN A 111 -20.475 10.902 -16.246 1.00 0.00 N ATOM 0 HA GLN A 111 -18.507 12.683 -14.388 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -17.073 12.968 -16.391 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -16.142 11.553 -15.943 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -17.738 10.993 -17.698 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -18.127 10.123 -16.227 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -20.252 9.973 -15.888 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -21.440 11.231 -16.244 1.00 0.00 H new ATOM 1783 N LEU A 112 -16.491 10.318 -13.299 1.00 0.00 N ATOM 1784 CA LEU A 112 -16.474 9.030 -12.610 1.00 0.00 C ATOM 1785 C LEU A 112 -15.650 9.096 -11.325 1.00 0.00 C ATOM 1786 O LEU A 112 -15.306 8.064 -10.749 1.00 0.00 O ATOM 1787 CB LEU A 112 -15.904 7.948 -13.532 1.00 0.00 C ATOM 1788 CG LEU A 112 -14.470 8.189 -14.006 1.00 0.00 C ATOM 1789 CD1 LEU A 112 -13.634 6.931 -13.834 1.00 0.00 C ATOM 1790 CD2 LEU A 112 -14.458 8.645 -15.457 1.00 0.00 C ATOM 0 H LEU A 112 -15.576 10.754 -13.410 1.00 0.00 H new ATOM 0 HA LEU A 112 -17.501 8.781 -12.344 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -15.942 6.991 -13.011 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -16.549 7.861 -14.406 1.00 0.00 H new ATOM 0 HG LEU A 112 -14.033 8.978 -13.395 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.617 7.121 -14.176 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -13.616 6.647 -12.782 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -14.069 6.122 -14.421 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -13.430 8.812 -15.777 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.913 7.878 -16.083 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.022 9.573 -15.552 1.00 0.00 H new ATOM 1802 N VAL A 113 -15.342 10.309 -10.875 1.00 0.00 N ATOM 1803 CA VAL A 113 -14.562 10.492 -9.656 1.00 0.00 C ATOM 1804 C VAL A 113 -15.350 10.008 -8.440 1.00 0.00 C ATOM 1805 O VAL A 113 -14.802 9.371 -7.542 1.00 0.00 O ATOM 1806 CB VAL A 113 -14.171 11.977 -9.463 1.00 0.00 C ATOM 1807 CG1 VAL A 113 -13.363 12.174 -8.188 1.00 0.00 C ATOM 1808 CG2 VAL A 113 -13.400 12.484 -10.672 1.00 0.00 C ATOM 0 H VAL A 113 -15.620 11.176 -11.334 1.00 0.00 H new ATOM 0 HA VAL A 113 -13.651 9.901 -9.753 1.00 0.00 H new ATOM 0 HB VAL A 113 -15.089 12.558 -9.367 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -13.104 13.227 -8.081 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.955 11.857 -7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.451 11.579 -8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -13.132 13.530 -10.521 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.494 11.892 -10.800 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -14.021 12.394 -11.563 1.00 0.00 H new ATOM 1818 N LYS A 114 -16.644 10.319 -8.424 1.00 0.00 N ATOM 1819 CA LYS A 114 -17.517 9.921 -7.325 1.00 0.00 C ATOM 1820 C LYS A 114 -17.577 8.403 -7.182 1.00 0.00 C ATOM 1821 O LYS A 114 -17.595 7.876 -6.069 1.00 0.00 O ATOM 1822 CB LYS A 114 -18.925 10.478 -7.539 1.00 0.00 C ATOM 1823 CG LYS A 114 -19.011 11.987 -7.385 1.00 0.00 C ATOM 1824 CD LYS A 114 -20.429 12.490 -7.605 1.00 0.00 C ATOM 1825 CE LYS A 114 -20.514 14.000 -7.451 1.00 0.00 C ATOM 1826 NZ LYS A 114 -21.878 14.514 -7.759 1.00 0.00 N ATOM 0 H LYS A 114 -17.111 10.846 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 114 -17.101 10.333 -6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -19.268 10.203 -8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -19.604 10.009 -6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -18.673 12.272 -6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -18.339 12.465 -8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -20.767 12.205 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -21.101 12.012 -6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -20.243 14.277 -6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -19.789 14.474 -8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -21.894 15.547 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -22.127 14.272 -8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -22.567 14.082 -7.111 1.00 0.00 H new ATOM 1840 N ARG A 115 -17.629 7.706 -8.312 1.00 0.00 N ATOM 1841 CA ARG A 115 -17.707 6.251 -8.307 1.00 0.00 C ATOM 1842 C ARG A 115 -16.492 5.628 -7.625 1.00 0.00 C ATOM 1843 O ARG A 115 -16.618 4.657 -6.880 1.00 0.00 O ATOM 1844 CB ARG A 115 -17.821 5.723 -9.738 1.00 0.00 C ATOM 1845 CG ARG A 115 -19.148 6.048 -10.405 1.00 0.00 C ATOM 1846 CD ARG A 115 -20.279 5.204 -9.841 1.00 0.00 C ATOM 1847 NE ARG A 115 -21.557 5.502 -10.486 1.00 0.00 N ATOM 1848 CZ ARG A 115 -22.391 6.458 -10.077 1.00 0.00 C ATOM 1849 NH1 ARG A 115 -22.089 7.211 -9.027 1.00 0.00 N ATOM 1850 NH2 ARG A 115 -23.532 6.659 -10.723 1.00 0.00 N ATOM 0 H ARG A 115 -17.619 8.125 -9.242 1.00 0.00 H new ATOM 0 HA ARG A 115 -18.596 5.970 -7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -17.012 6.142 -10.336 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -17.684 4.642 -9.729 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -19.377 7.104 -10.265 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -19.067 5.879 -11.479 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -20.044 4.148 -9.972 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -20.364 5.381 -8.769 1.00 0.00 H new ATOM 0 HE ARG A 115 -21.826 4.945 -11.297 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -21.213 7.060 -8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -22.733 7.940 -8.721 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -23.769 6.083 -11.530 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -24.172 7.390 -10.412 1.00 0.00 H new ATOM 1864 N HIS A 116 -15.315 6.192 -7.884 1.00 0.00 N ATOM 1865 CA HIS A 116 -14.086 5.683 -7.289 1.00 0.00 C ATOM 1866 C HIS A 116 -14.132 5.777 -5.768 1.00 0.00 C ATOM 1867 O HIS A 116 -13.695 4.864 -5.067 1.00 0.00 O ATOM 1868 CB HIS A 116 -12.875 6.452 -7.824 1.00 0.00 C ATOM 1869 CG HIS A 116 -12.571 6.161 -9.262 1.00 0.00 C ATOM 1870 ND1 HIS A 116 -12.047 4.958 -9.691 1.00 0.00 N ATOM 1871 CD2 HIS A 116 -12.717 6.922 -10.371 1.00 0.00 C ATOM 1872 CE1 HIS A 116 -11.884 4.994 -11.001 1.00 0.00 C ATOM 1873 NE2 HIS A 116 -12.282 6.173 -11.437 1.00 0.00 N ATOM 0 H HIS A 116 -15.188 6.996 -8.498 1.00 0.00 H new ATOM 0 HA HIS A 116 -13.991 4.633 -7.565 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -13.053 7.521 -7.707 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.002 6.206 -7.219 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -11.821 4.165 -9.090 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -13.103 7.930 -10.411 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -11.492 4.194 -11.611 1.00 0.00 H new ATOM 1882 N ILE A 117 -14.665 6.886 -5.263 1.00 0.00 N ATOM 1883 CA ILE A 117 -14.760 7.094 -3.824 1.00 0.00 C ATOM 1884 C ILE A 117 -15.790 6.148 -3.206 1.00 0.00 C ATOM 1885 O ILE A 117 -15.571 5.597 -2.129 1.00 0.00 O ATOM 1886 CB ILE A 117 -15.137 8.561 -3.498 1.00 0.00 C ATOM 1887 CG1 ILE A 117 -14.076 9.511 -4.058 1.00 0.00 C ATOM 1888 CG2 ILE A 117 -15.284 8.774 -1.995 1.00 0.00 C ATOM 1889 CD1 ILE A 117 -12.689 9.255 -3.511 1.00 0.00 C ATOM 0 H ILE A 117 -15.036 7.651 -5.827 1.00 0.00 H new ATOM 0 HA ILE A 117 -13.781 6.881 -3.395 1.00 0.00 H new ATOM 0 HB ILE A 117 -16.098 8.774 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -14.053 9.418 -5.144 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -14.363 10.538 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -15.549 9.813 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -16.067 8.121 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -14.341 8.540 -1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -11.988 9.964 -3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -12.697 9.377 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -12.382 8.239 -3.760 1.00 0.00 H new ATOM 1901 N GLU A 118 -16.913 5.965 -3.894 1.00 0.00 N ATOM 1902 CA GLU A 118 -17.970 5.088 -3.403 1.00 0.00 C ATOM 1903 C GLU A 118 -17.477 3.649 -3.261 1.00 0.00 C ATOM 1904 O GLU A 118 -17.813 2.964 -2.296 1.00 0.00 O ATOM 1905 CB GLU A 118 -19.171 5.132 -4.348 1.00 0.00 C ATOM 1906 CG GLU A 118 -19.922 6.453 -4.315 1.00 0.00 C ATOM 1907 CD GLU A 118 -21.107 6.474 -5.260 1.00 0.00 C ATOM 1908 OE1 GLU A 118 -22.246 6.274 -4.789 1.00 0.00 O ATOM 1909 OE2 GLU A 118 -20.896 6.692 -6.472 1.00 0.00 O ATOM 0 H GLU A 118 -17.114 6.410 -4.789 1.00 0.00 H new ATOM 0 HA GLU A 118 -18.269 5.445 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -18.829 4.943 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -19.858 4.326 -4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -20.269 6.644 -3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -19.239 7.261 -4.576 1.00 0.00 H new ATOM 1917 N ARG A 119 -16.682 3.196 -4.225 1.00 0.00 N ATOM 1918 CA ARG A 119 -16.153 1.837 -4.197 1.00 0.00 C ATOM 1919 C ARG A 119 -15.200 1.638 -3.024 1.00 0.00 C ATOM 1920 O ARG A 119 -15.220 0.600 -2.364 1.00 0.00 O ATOM 1921 CB ARG A 119 -15.436 1.522 -5.511 1.00 0.00 C ATOM 1922 CG ARG A 119 -16.374 1.393 -6.700 1.00 0.00 C ATOM 1923 CD ARG A 119 -15.614 1.083 -7.980 1.00 0.00 C ATOM 1924 NE ARG A 119 -16.507 0.961 -9.131 1.00 0.00 N ATOM 1925 CZ ARG A 119 -16.535 1.826 -10.145 1.00 0.00 C ATOM 1926 NH1 ARG A 119 -15.723 2.876 -10.156 1.00 0.00 N ATOM 1927 NH2 ARG A 119 -17.377 1.638 -11.152 1.00 0.00 N ATOM 0 H ARG A 119 -16.391 3.747 -5.032 1.00 0.00 H new ATOM 0 HA ARG A 119 -16.993 1.153 -4.072 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -14.709 2.308 -5.716 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -14.878 0.593 -5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -17.101 0.604 -6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -16.935 2.319 -6.824 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -14.885 1.871 -8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -15.055 0.155 -7.854 1.00 0.00 H new ATOM 0 HE ARG A 119 -17.147 0.167 -9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -15.072 3.025 -9.385 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -15.750 3.534 -10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -18.002 0.832 -11.150 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -17.399 2.299 -11.928 1.00 0.00 H new ATOM 1941 N LEU A 120 -14.365 2.638 -2.766 1.00 0.00 N ATOM 1942 CA LEU A 120 -13.408 2.567 -1.668 1.00 0.00 C ATOM 1943 C LEU A 120 -14.105 2.668 -0.314 1.00 0.00 C ATOM 1944 O LEU A 120 -13.736 1.979 0.637 1.00 0.00 O ATOM 1945 CB LEU A 120 -12.350 3.664 -1.804 1.00 0.00 C ATOM 1946 CG LEU A 120 -12.887 5.097 -1.827 1.00 0.00 C ATOM 1947 CD1 LEU A 120 -13.149 5.597 -0.415 1.00 0.00 C ATOM 1948 CD2 LEU A 120 -11.907 6.014 -2.545 1.00 0.00 C ATOM 0 H LEU A 120 -14.331 3.506 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 120 -12.916 1.596 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -11.647 3.571 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -11.787 3.490 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 120 -13.832 5.103 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.530 6.617 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -13.884 4.954 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.220 5.579 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -12.300 7.031 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.949 6.001 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.769 5.668 -3.570 1.00 0.00 H new ATOM 1960 N LYS A 121 -15.107 3.539 -0.231 1.00 0.00 N ATOM 1961 CA LYS A 121 -15.839 3.745 1.010 1.00 0.00 C ATOM 1962 C LYS A 121 -16.520 2.461 1.476 1.00 0.00 C ATOM 1963 O LYS A 121 -16.531 2.157 2.670 1.00 0.00 O ATOM 1964 CB LYS A 121 -16.881 4.844 0.809 1.00 0.00 C ATOM 1965 CG LYS A 121 -17.524 5.309 2.100 1.00 0.00 C ATOM 1966 CD LYS A 121 -18.545 6.401 1.841 1.00 0.00 C ATOM 1967 CE LYS A 121 -18.522 7.439 2.944 1.00 0.00 C ATOM 1968 NZ LYS A 121 -19.459 8.564 2.673 1.00 0.00 N ATOM 0 H LYS A 121 -15.429 4.113 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 121 -15.129 4.044 1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -16.409 5.696 0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -17.657 4.479 0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -18.007 4.466 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -16.756 5.679 2.779 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -18.337 6.878 0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -19.541 5.963 1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -18.786 6.968 3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -17.510 7.829 3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -19.411 9.251 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -19.192 9.031 1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -20.429 8.197 2.594 1.00 0.00 H new ATOM 1982 N LYS A 122 -17.084 1.709 0.536 1.00 0.00 N ATOM 1983 CA LYS A 122 -17.760 0.460 0.868 1.00 0.00 C ATOM 1984 C LYS A 122 -16.753 -0.591 1.319 1.00 0.00 C ATOM 1985 O LYS A 122 -17.020 -1.371 2.229 1.00 0.00 O ATOM 1986 CB LYS A 122 -18.544 -0.040 -0.341 1.00 0.00 C ATOM 1987 CG LYS A 122 -17.670 -0.313 -1.551 1.00 0.00 C ATOM 1988 CD LYS A 122 -18.421 -0.052 -2.842 1.00 0.00 C ATOM 1989 CE LYS A 122 -17.752 -0.733 -4.026 1.00 0.00 C ATOM 1990 NZ LYS A 122 -18.535 -0.559 -5.280 1.00 0.00 N ATOM 0 H LYS A 122 -17.087 1.941 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 122 -18.452 0.643 1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -19.073 -0.954 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -19.300 0.699 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -16.782 0.317 -1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -17.328 -1.348 -1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -19.446 -0.411 -2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -18.475 1.022 -3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -16.751 -0.323 -4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.635 -1.796 -3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.038 -1.023 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -19.476 -0.987 -5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -18.639 0.455 -5.486 1.00 0.00 H new ATOM 2004 N ASN A 123 -15.589 -0.586 0.677 1.00 0.00 N ATOM 2005 CA ASN A 123 -14.510 -1.520 0.994 1.00 0.00 C ATOM 2006 C ASN A 123 -13.983 -1.285 2.408 1.00 0.00 C ATOM 2007 O ASN A 123 -13.210 -0.356 2.636 1.00 0.00 O ATOM 2008 CB ASN A 123 -13.371 -1.376 -0.017 1.00 0.00 C ATOM 2009 CG ASN A 123 -13.659 -2.094 -1.321 1.00 0.00 C ATOM 2010 OD1 ASN A 123 -14.875 -1.932 -1.829 1.00 0.00 O flip ATOM 2011 ND2 ASN A 123 -12.800 -2.787 -1.865 1.00 0.00 N flip ATOM 0 H ASN A 123 -15.366 0.064 -0.077 1.00 0.00 H new ATOM 0 HA ASN A 123 -14.911 -2.532 0.939 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -13.199 -0.319 -0.218 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -12.452 -1.771 0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -11.878 -2.884 -1.439 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -13.010 -3.265 -2.742 1.00 0.00 H new ATOM 2018 N PRO A 124 -14.401 -2.109 3.393 1.00 0.00 N ATOM 2019 CA PRO A 124 -13.967 -1.945 4.776 1.00 0.00 C ATOM 2020 C PRO A 124 -12.688 -2.721 5.076 1.00 0.00 C ATOM 2021 O PRO A 124 -12.469 -3.170 6.202 1.00 0.00 O ATOM 2022 CB PRO A 124 -15.139 -2.538 5.552 1.00 0.00 C ATOM 2023 CG PRO A 124 -15.658 -3.631 4.676 1.00 0.00 C ATOM 2024 CD PRO A 124 -15.337 -3.241 3.249 1.00 0.00 C ATOM 0 HA PRO A 124 -13.734 -0.910 5.025 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -14.819 -2.924 6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -15.906 -1.788 5.746 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -15.192 -4.583 4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -16.733 -3.756 4.810 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -14.884 -4.067 2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -16.234 -2.951 2.703 1.00 0.00 H new ATOM 2032 N ASN A 125 -11.834 -2.845 4.064 1.00 0.00 N ATOM 2033 CA ASN A 125 -10.561 -3.540 4.217 1.00 0.00 C ATOM 2034 C ASN A 125 -9.412 -2.533 4.289 1.00 0.00 C ATOM 2035 O ASN A 125 -8.359 -2.814 4.861 1.00 0.00 O ATOM 2036 CB ASN A 125 -10.337 -4.503 3.050 1.00 0.00 C ATOM 2037 CG ASN A 125 -11.278 -5.690 3.094 1.00 0.00 C ATOM 2038 OD1 ASN A 125 -11.839 -6.015 4.141 1.00 0.00 O ATOM 2039 ND2 ASN A 125 -11.458 -6.345 1.953 1.00 0.00 N ATOM 0 H ASN A 125 -12.001 -2.473 3.129 1.00 0.00 H new ATOM 0 HA ASN A 125 -10.589 -4.111 5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -10.474 -3.969 2.110 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -9.307 -4.858 3.068 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -12.081 -7.152 1.921 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -10.973 -6.041 1.109 1.00 0.00 H new ATOM 2046 N SER A 126 -9.635 -1.356 3.710 1.00 0.00 N ATOM 2047 CA SER A 126 -8.638 -0.293 3.706 1.00 0.00 C ATOM 2048 C SER A 126 -9.259 1.018 4.176 1.00 0.00 C ATOM 2049 O SER A 126 -10.395 1.335 3.828 1.00 0.00 O ATOM 2050 CB SER A 126 -8.048 -0.120 2.304 1.00 0.00 C ATOM 2051 OG SER A 126 -7.076 0.910 2.284 1.00 0.00 O ATOM 0 H SER A 126 -10.505 -1.115 3.235 1.00 0.00 H new ATOM 0 HA SER A 126 -7.837 -0.569 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.596 -1.057 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.844 0.113 1.597 1.00 0.00 H new ATOM 0 HG SER A 126 -7.521 1.778 2.195 1.00 0.00 H new ATOM 2057 N LYS A 127 -8.513 1.776 4.973 1.00 0.00 N ATOM 2058 CA LYS A 127 -9.005 3.047 5.489 1.00 0.00 C ATOM 2059 C LYS A 127 -8.762 4.178 4.495 1.00 0.00 C ATOM 2060 O LYS A 127 -7.681 4.291 3.918 1.00 0.00 O ATOM 2061 CB LYS A 127 -8.336 3.375 6.825 1.00 0.00 C ATOM 2062 CG LYS A 127 -8.771 2.466 7.962 1.00 0.00 C ATOM 2063 CD LYS A 127 -8.077 2.832 9.264 1.00 0.00 C ATOM 2064 CE LYS A 127 -8.512 1.922 10.402 1.00 0.00 C ATOM 2065 NZ LYS A 127 -9.832 2.328 10.963 1.00 0.00 N ATOM 0 H LYS A 127 -7.569 1.533 5.274 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.080 2.951 5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -7.255 3.304 6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -8.561 4.408 7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -9.851 2.535 8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -8.547 1.430 7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -6.997 2.763 9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -8.302 3.868 9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -8.570 0.894 10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -7.760 1.942 11.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -10.094 1.684 11.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.770 3.300 11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -10.555 2.284 10.216 1.00 0.00 H new ATOM 2079 N PHE A 128 -9.779 5.013 4.303 1.00 0.00 N ATOM 2080 CA PHE A 128 -9.685 6.142 3.383 1.00 0.00 C ATOM 2081 C PHE A 128 -9.011 7.331 4.063 1.00 0.00 C ATOM 2082 O PHE A 128 -9.526 7.870 5.043 1.00 0.00 O ATOM 2083 CB PHE A 128 -11.089 6.530 2.907 1.00 0.00 C ATOM 2084 CG PHE A 128 -11.123 7.707 1.976 1.00 0.00 C ATOM 2085 CD1 PHE A 128 -11.028 7.532 0.606 1.00 0.00 C ATOM 2086 CD2 PHE A 128 -11.261 8.992 2.474 1.00 0.00 C ATOM 2087 CE1 PHE A 128 -11.067 8.616 -0.250 1.00 0.00 C ATOM 2088 CE2 PHE A 128 -11.300 10.080 1.625 1.00 0.00 C ATOM 2089 CZ PHE A 128 -11.203 9.892 0.260 1.00 0.00 C ATOM 0 H PHE A 128 -10.680 4.929 4.774 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.080 5.852 2.524 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -11.540 5.673 2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -11.706 6.752 3.777 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -10.922 6.536 0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -11.339 9.145 3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -10.991 8.465 -1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -11.406 11.077 2.027 1.00 0.00 H new ATOM 0 HZ PHE A 128 -11.233 10.741 -0.407 1.00 0.00 H new ATOM 2099 N GLU A 129 -7.860 7.738 3.538 1.00 0.00 N ATOM 2100 CA GLU A 129 -7.124 8.865 4.100 1.00 0.00 C ATOM 2101 C GLU A 129 -7.533 10.178 3.433 1.00 0.00 C ATOM 2102 O GLU A 129 -8.322 10.946 3.983 1.00 0.00 O ATOM 2103 CB GLU A 129 -5.615 8.641 3.960 1.00 0.00 C ATOM 2104 CG GLU A 129 -4.775 9.775 4.528 1.00 0.00 C ATOM 2105 CD GLU A 129 -3.283 9.535 4.382 1.00 0.00 C ATOM 2106 OE1 GLU A 129 -2.895 8.406 4.011 1.00 0.00 O ATOM 2107 OE2 GLU A 129 -2.503 10.476 4.636 1.00 0.00 O ATOM 0 H GLU A 129 -7.418 7.306 2.727 1.00 0.00 H new ATOM 0 HA GLU A 129 -7.371 8.934 5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.346 7.713 4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -5.372 8.513 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -5.040 10.704 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.015 9.905 5.583 1.00 0.00 H new ATOM 2115 N SER A 130 -6.983 10.434 2.248 1.00 0.00 N ATOM 2116 CA SER A 130 -7.288 11.655 1.510 1.00 0.00 C ATOM 2117 C SER A 130 -7.384 11.390 0.010 1.00 0.00 C ATOM 2118 O SER A 130 -6.587 10.636 -0.550 1.00 0.00 O ATOM 2119 CB SER A 130 -6.222 12.718 1.782 1.00 0.00 C ATOM 2120 OG SER A 130 -6.160 13.037 3.161 1.00 0.00 O ATOM 0 H SER A 130 -6.324 9.812 1.780 1.00 0.00 H new ATOM 0 HA SER A 130 -8.257 12.018 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 130 -5.250 12.357 1.445 1.00 0.00 H new ATOM 0 HB3 SER A 130 -6.445 13.617 1.207 1.00 0.00 H new ATOM 0 HG SER A 130 -5.470 13.717 3.309 1.00 0.00 H new ATOM 2126 N TYR A 131 -8.356 12.025 -0.637 1.00 0.00 N ATOM 2127 CA TYR A 131 -8.548 11.869 -2.076 1.00 0.00 C ATOM 2128 C TYR A 131 -8.432 13.218 -2.779 1.00 0.00 C ATOM 2129 O TYR A 131 -9.052 14.198 -2.364 1.00 0.00 O ATOM 2130 CB TYR A 131 -9.912 11.241 -2.368 1.00 0.00 C ATOM 2131 CG TYR A 131 -10.189 11.044 -3.841 1.00 0.00 C ATOM 2132 CD1 TYR A 131 -9.832 9.865 -4.484 1.00 0.00 C ATOM 2133 CD2 TYR A 131 -10.809 12.037 -4.590 1.00 0.00 C ATOM 2134 CE1 TYR A 131 -10.083 9.681 -5.830 1.00 0.00 C ATOM 2135 CE2 TYR A 131 -11.064 11.860 -5.937 1.00 0.00 C ATOM 2136 CZ TYR A 131 -10.700 10.681 -6.552 1.00 0.00 C ATOM 2137 OH TYR A 131 -10.951 10.501 -7.893 1.00 0.00 O ATOM 0 H TYR A 131 -9.023 12.653 -0.188 1.00 0.00 H new ATOM 0 HA TYR A 131 -7.769 11.208 -2.456 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -9.973 10.276 -1.864 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -10.691 11.873 -1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.350 9.079 -3.922 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -11.096 12.962 -4.112 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -9.798 8.759 -6.314 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -11.546 12.642 -6.505 1.00 0.00 H new ATOM 0 HH TYR A 131 -10.595 11.262 -8.397 1.00 0.00 H new ATOM 2147 N ASP A 132 -7.637 13.267 -3.844 1.00 0.00 N ATOM 2148 CA ASP A 132 -7.450 14.501 -4.597 1.00 0.00 C ATOM 2149 C ASP A 132 -8.112 14.408 -5.967 1.00 0.00 C ATOM 2150 O ASP A 132 -7.692 13.626 -6.818 1.00 0.00 O ATOM 2151 CB ASP A 132 -5.960 14.805 -4.757 1.00 0.00 C ATOM 2152 CG ASP A 132 -5.306 15.210 -3.450 1.00 0.00 C ATOM 2153 OD1 ASP A 132 -6.036 15.623 -2.525 1.00 0.00 O ATOM 2154 OD2 ASP A 132 -4.064 15.114 -3.353 1.00 0.00 O ATOM 0 H ASP A 132 -7.114 12.469 -4.203 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.921 15.311 -4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -5.454 13.926 -5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -5.832 15.605 -5.487 1.00 0.00 H new ATOM 2160 N ALA A 133 -9.151 15.212 -6.171 1.00 0.00 N ATOM 2161 CA ALA A 133 -9.876 15.224 -7.437 1.00 0.00 C ATOM 2162 C ALA A 133 -9.036 15.829 -8.559 1.00 0.00 C ATOM 2163 O ALA A 133 -9.060 15.350 -9.693 1.00 0.00 O ATOM 2164 CB ALA A 133 -11.183 15.986 -7.285 1.00 0.00 C ATOM 0 H ALA A 133 -9.510 15.865 -5.474 1.00 0.00 H new ATOM 0 HA ALA A 133 -10.094 14.191 -7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -11.715 15.988 -8.236 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -11.799 15.504 -6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -10.973 17.012 -6.984 1.00 0.00 H new ATOM 2170 N ASP A 134 -8.305 16.890 -8.237 1.00 0.00 N ATOM 2171 CA ASP A 134 -7.467 17.573 -9.220 1.00 0.00 C ATOM 2172 C ASP A 134 -6.407 16.641 -9.799 1.00 0.00 C ATOM 2173 O ASP A 134 -6.125 16.678 -10.995 1.00 0.00 O ATOM 2174 CB ASP A 134 -6.795 18.793 -8.588 1.00 0.00 C ATOM 2175 CG ASP A 134 -7.782 19.905 -8.289 1.00 0.00 C ATOM 2176 OD1 ASP A 134 -7.460 20.774 -7.451 1.00 0.00 O ATOM 2177 OD2 ASP A 134 -8.877 19.907 -8.891 1.00 0.00 O ATOM 0 H ASP A 134 -8.275 17.297 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 134 -8.114 17.897 -10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -6.298 18.494 -7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -6.022 19.167 -9.259 1.00 0.00 H new ATOM 2183 N SER A 135 -5.819 15.808 -8.946 1.00 0.00 N ATOM 2184 CA SER A 135 -4.786 14.874 -9.384 1.00 0.00 C ATOM 2185 C SER A 135 -5.352 13.469 -9.591 1.00 0.00 C ATOM 2186 O SER A 135 -4.687 12.602 -10.157 1.00 0.00 O ATOM 2187 CB SER A 135 -3.645 14.830 -8.364 1.00 0.00 C ATOM 2188 OG SER A 135 -2.386 14.756 -9.011 1.00 0.00 O ATOM 0 H SER A 135 -6.039 15.760 -7.951 1.00 0.00 H new ATOM 0 HA SER A 135 -4.403 15.229 -10.341 1.00 0.00 H new ATOM 0 HB2 SER A 135 -3.682 15.718 -7.734 1.00 0.00 H new ATOM 0 HB3 SER A 135 -3.772 13.968 -7.708 1.00 0.00 H new ATOM 0 HG SER A 135 -1.674 14.731 -8.339 1.00 0.00 H new ATOM 2194 N GLY A 136 -6.577 13.249 -9.124 1.00 0.00 N ATOM 2195 CA GLY A 136 -7.204 11.948 -9.265 1.00 0.00 C ATOM 2196 C GLY A 136 -6.586 10.905 -8.353 1.00 0.00 C ATOM 2197 O GLY A 136 -7.210 9.891 -8.045 1.00 0.00 O ATOM 0 H GLY A 136 -7.147 13.950 -8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -8.268 12.035 -9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -7.119 11.617 -10.300 1.00 0.00 H new ATOM 2201 N THR A 137 -5.355 11.160 -7.920 1.00 0.00 N ATOM 2202 CA THR A 137 -4.648 10.240 -7.036 1.00 0.00 C ATOM 2203 C THR A 137 -5.111 10.417 -5.593 1.00 0.00 C ATOM 2204 O THR A 137 -5.331 11.538 -5.135 1.00 0.00 O ATOM 2205 CB THR A 137 -3.137 10.462 -7.131 1.00 0.00 C ATOM 2206 OG1 THR A 137 -2.717 10.472 -8.484 1.00 0.00 O ATOM 2207 CG2 THR A 137 -2.331 9.403 -6.411 1.00 0.00 C ATOM 0 H THR A 137 -4.826 11.997 -8.167 1.00 0.00 H new ATOM 0 HA THR A 137 -4.875 9.222 -7.353 1.00 0.00 H new ATOM 0 HB THR A 137 -2.955 11.424 -6.652 1.00 0.00 H new ATOM 0 HG1 THR A 137 -3.474 10.244 -9.063 1.00 0.00 H new ATOM 0 HG21 THR A 137 -1.268 9.620 -6.517 1.00 0.00 H new ATOM 0 HG22 THR A 137 -2.597 9.400 -5.354 1.00 0.00 H new ATOM 0 HG23 THR A 137 -2.547 8.426 -6.842 1.00 0.00 H new ATOM 2215 N TYR A 138 -5.261 9.305 -4.881 1.00 0.00 N ATOM 2216 CA TYR A 138 -5.702 9.343 -3.491 1.00 0.00 C ATOM 2217 C TYR A 138 -4.769 8.520 -2.605 1.00 0.00 C ATOM 2218 O TYR A 138 -4.086 7.614 -3.080 1.00 0.00 O ATOM 2219 CB TYR A 138 -7.141 8.828 -3.368 1.00 0.00 C ATOM 2220 CG TYR A 138 -7.288 7.340 -3.609 1.00 0.00 C ATOM 2221 CD1 TYR A 138 -7.179 6.439 -2.558 1.00 0.00 C ATOM 2222 CD2 TYR A 138 -7.532 6.838 -4.882 1.00 0.00 C ATOM 2223 CE1 TYR A 138 -7.309 5.080 -2.765 1.00 0.00 C ATOM 2224 CE2 TYR A 138 -7.663 5.478 -5.098 1.00 0.00 C ATOM 2225 CZ TYR A 138 -7.549 4.604 -4.037 1.00 0.00 C ATOM 2226 OH TYR A 138 -7.679 3.251 -4.247 1.00 0.00 O ATOM 0 H TYR A 138 -5.084 8.368 -5.243 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.673 10.379 -3.154 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.515 9.063 -2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.769 9.364 -4.079 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -6.989 6.808 -1.561 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.621 7.520 -5.715 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -7.223 4.394 -1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.854 5.102 -6.092 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.243 3.007 -5.090 1.00 0.00 H new ATOM 2236 N VAL A 139 -4.740 8.848 -1.317 1.00 0.00 N ATOM 2237 CA VAL A 139 -3.886 8.138 -0.373 1.00 0.00 C ATOM 2238 C VAL A 139 -4.726 7.288 0.579 1.00 0.00 C ATOM 2239 O VAL A 139 -5.620 7.792 1.257 1.00 0.00 O ATOM 2240 CB VAL A 139 -3.019 9.121 0.443 1.00 0.00 C ATOM 2241 CG1 VAL A 139 -2.084 8.375 1.385 1.00 0.00 C ATOM 2242 CG2 VAL A 139 -2.232 10.033 -0.487 1.00 0.00 C ATOM 0 H VAL A 139 -5.296 9.598 -0.905 1.00 0.00 H new ATOM 0 HA VAL A 139 -3.228 7.488 -0.950 1.00 0.00 H new ATOM 0 HB VAL A 139 -3.683 9.736 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -1.486 9.092 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -2.671 7.771 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -1.425 7.727 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 139 -1.626 10.720 0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -1.583 9.431 -1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -2.923 10.602 -1.109 1.00 0.00 H new ATOM 2252 N PHE A 140 -4.430 5.993 0.614 1.00 0.00 N ATOM 2253 CA PHE A 140 -5.152 5.059 1.473 1.00 0.00 C ATOM 2254 C PHE A 140 -4.243 4.517 2.571 1.00 0.00 C ATOM 2255 O PHE A 140 -3.061 4.263 2.340 1.00 0.00 O ATOM 2256 CB PHE A 140 -5.714 3.901 0.644 1.00 0.00 C ATOM 2257 CG PHE A 140 -7.203 3.963 0.440 1.00 0.00 C ATOM 2258 CD1 PHE A 140 -7.838 5.168 0.184 1.00 0.00 C ATOM 2259 CD2 PHE A 140 -7.968 2.809 0.504 1.00 0.00 C ATOM 2260 CE1 PHE A 140 -9.205 5.220 -0.005 1.00 0.00 C ATOM 2261 CE2 PHE A 140 -9.335 2.855 0.316 1.00 0.00 C ATOM 2262 CZ PHE A 140 -9.954 4.063 0.061 1.00 0.00 C ATOM 0 H PHE A 140 -3.692 5.564 0.055 1.00 0.00 H new ATOM 0 HA PHE A 140 -5.977 5.597 1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 140 -5.224 3.893 -0.330 1.00 0.00 H new ATOM 0 HB3 PHE A 140 -5.463 2.961 1.135 1.00 0.00 H new ATOM 0 HD1 PHE A 140 -7.257 6.077 0.132 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -7.489 1.862 0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 140 -9.687 6.165 -0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -9.919 1.948 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 140 -11.023 4.102 -0.087 1.00 0.00 H new ATOM 2272 N ILE A 141 -4.796 4.348 3.768 1.00 0.00 N ATOM 2273 CA ILE A 141 -4.028 3.839 4.899 1.00 0.00 C ATOM 2274 C ILE A 141 -4.635 2.537 5.420 1.00 0.00 C ATOM 2275 O ILE A 141 -5.822 2.479 5.745 1.00 0.00 O ATOM 2276 CB ILE A 141 -3.971 4.881 6.042 1.00 0.00 C ATOM 2277 CG1 ILE A 141 -3.313 6.169 5.548 1.00 0.00 C ATOM 2278 CG2 ILE A 141 -3.210 4.337 7.248 1.00 0.00 C ATOM 2279 CD1 ILE A 141 -3.429 7.321 6.524 1.00 0.00 C ATOM 0 H ILE A 141 -5.772 4.556 3.980 1.00 0.00 H new ATOM 0 HA ILE A 141 -3.014 3.644 4.551 1.00 0.00 H new ATOM 0 HB ILE A 141 -4.993 5.095 6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -2.259 5.976 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -3.767 6.459 4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.187 5.092 8.034 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -3.708 3.441 7.619 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -2.190 4.089 6.953 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -2.940 8.202 6.107 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -4.481 7.541 6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -2.949 7.051 7.465 1.00 0.00 H new ATOM 2291 N VAL A 142 -3.814 1.496 5.501 1.00 0.00 N ATOM 2292 CA VAL A 142 -4.270 0.199 5.988 1.00 0.00 C ATOM 2293 C VAL A 142 -3.369 -0.306 7.111 1.00 0.00 C ATOM 2294 O VAL A 142 -2.471 -1.116 6.884 1.00 0.00 O ATOM 2295 CB VAL A 142 -4.296 -0.845 4.854 1.00 0.00 C ATOM 2296 CG1 VAL A 142 -4.968 -2.126 5.317 1.00 0.00 C ATOM 2297 CG2 VAL A 142 -4.992 -0.284 3.622 1.00 0.00 C ATOM 0 H VAL A 142 -2.829 1.525 5.236 1.00 0.00 H new ATOM 0 HA VAL A 142 -5.282 0.335 6.369 1.00 0.00 H new ATOM 0 HB VAL A 142 -3.267 -1.081 4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -4.975 -2.849 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -4.419 -2.540 6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -5.993 -1.910 5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -4.999 -1.037 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -6.017 -0.013 3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -4.459 0.601 3.274 1.00 0.00 H new ATOM 2307 N ASN A 143 -3.613 0.178 8.326 1.00 0.00 N ATOM 2308 CA ASN A 143 -2.817 -0.225 9.480 1.00 0.00 C ATOM 2309 C ASN A 143 -3.518 -1.320 10.281 1.00 0.00 C ATOM 2310 O ASN A 143 -4.580 -1.096 10.861 1.00 0.00 O ATOM 2311 CB ASN A 143 -2.545 0.983 10.379 1.00 0.00 C ATOM 2312 CG ASN A 143 -1.601 0.658 11.519 1.00 0.00 C ATOM 2313 OD1 ASN A 143 -1.421 -0.505 11.878 1.00 0.00 O ATOM 2314 ND2 ASN A 143 -0.992 1.688 12.096 1.00 0.00 N ATOM 0 H ASN A 143 -4.353 0.848 8.536 1.00 0.00 H new ATOM 0 HA ASN A 143 -1.871 -0.624 9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -2.122 1.789 9.780 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -3.488 1.349 10.786 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -0.346 1.530 12.869 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -1.171 2.636 11.766 1.00 0.00 H new ATOM 2321 N HIS A 144 -2.910 -2.503 10.312 1.00 0.00 N ATOM 2322 CA HIS A 144 -3.468 -3.635 11.050 1.00 0.00 C ATOM 2323 C HIS A 144 -2.739 -3.848 12.377 1.00 0.00 C ATOM 2324 O HIS A 144 -2.965 -4.846 13.062 1.00 0.00 O ATOM 2325 CB HIS A 144 -3.392 -4.911 10.209 1.00 0.00 C ATOM 2326 CG HIS A 144 -4.348 -4.931 9.058 1.00 0.00 C ATOM 2327 ND1 HIS A 144 -5.623 -5.381 8.975 1.00 0.00 N flip ATOM 2328 CD2 HIS A 144 -4.031 -4.450 7.806 1.00 0.00 C flip ATOM 2329 CE1 HIS A 144 -6.046 -5.168 7.687 1.00 0.00 C flip ATOM 2330 NE2 HIS A 144 -5.069 -4.604 7.002 1.00 0.00 N flip ATOM 0 H HIS A 144 -2.031 -2.704 9.835 1.00 0.00 H new ATOM 0 HA HIS A 144 -4.512 -3.406 11.264 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -2.377 -5.025 9.829 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -3.591 -5.770 10.850 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -6.167 -5.800 9.729 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -3.083 -4.015 7.526 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -7.021 -5.421 7.297 1.00 0.00 H new