USER MOD reduce.3.24.130724 H: found=0, std=0, add=1210, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1195 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 218 THR OG1 : rot 40:sc= 0.983 USER MOD Set 1.2: B 246 LYS NZ :NH3+ 161:sc= -6.19! (180deg=-6.64!) USER MOD Set 2.1: B 222 CYS SG : rot -135:sc= -5.31! USER MOD Set 2.2: B 225 CYS SG : rot 148:sc= 0.233 USER MOD Set 2.3: B 240 HIS : no HE2:sc= 0.38 K(o=-8.1,f=-10) USER MOD Set 2.4: B 242 HIS : no HE2:sc= -3.41! C(o=-8.1!,f=-10!) USER MOD Set 3.1: A 40 MET CE :methyl 163:sc= -1.82 (180deg=-2.52) USER MOD Set 3.2: B 239 SER OG : rot 94:sc= -0.443! USER MOD Set 4.1: B 209 CYS SG : rot -178:sc= 0.634 USER MOD Set 4.2: B 212 CYS SG : rot -42:sc= 0.752 USER MOD Set 4.3: B 231 CYS SG : rot -145:sc= -3.39! USER MOD Set 4.4: B 234 CYS SG : rot 88:sc= -2.09! USER MOD Set 5.1: A 98 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=0.049) USER MOD Set 5.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 51 TYR OH : rot -75:sc= 1.07 USER MOD Set 6.2: A 55 GLN : amide:sc= -6.34! C(o=-5.3!,f=-6.9!) USER MOD Single : A 0 SER OG : rot 119:sc= 0.0712 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.0783 (180deg=-0.663) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0995 K(o=-0.099,f=-0.94) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc=-0.00128 USER MOD Single : A -1 GLY N :NH3+ -168:sc= -0.0085 (180deg=-0.192) USER MOD Single : A 10 THR OG1 : rot 63:sc= 0.0777 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= -0.03 (180deg=-0.476) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -0.0578 (180deg=-0.777) USER MOD Single : A 25 LYS NZ :NH3+ -111:sc= -0.587 (180deg=-1.9!) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 31 SER OG : rot 58:sc= 0.936 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-5.7!) USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= -0.965 (180deg=-2.22!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 42 THR OG1 : rot -170:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -4.68! C(o=-4.7!,f=-8.4!) USER MOD Single : A 45 LYS NZ :NH3+ 129:sc= -2.57! (180deg=-3.54!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.802 (180deg=-1.15) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 68:sc= -7.44! USER MOD Single : A 53 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.1!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -6.46! C(o=-6.5!,f=-11!) USER MOD Single : A 61 SER OG : rot 130:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 74 ASN : amide:sc= -0.874! C(o=-0.87!,f=-6.6!) USER MOD Single : A 75 HIS : no HE2:sc= -9.43! C(o=-9.4!,f=-15!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.968 USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0504) USER MOD Single : A 82 MET CE :methyl -123:sc= -0.433 (180deg=-0.705) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -4.56! C(o=-4.6!,f=-4.3!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 95 THR OG1 : rot 125:sc= 1.17 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 202 GLN : amide:sc= -1.08 K(o=-1.1,f=-7.7!) USER MOD Single : B 207 TYR OH : rot 180:sc= 0 USER MOD Single : B 208 THR OG1 : rot 180:sc= 0 USER MOD Single : B 210 ASN : amide:sc= -0.279 K(o=-0.28,f=-1.9!) USER MOD Single : B 213 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 214 HIS : no HE2:sc= -0.595 K(o=-0.59,f=-2.6) USER MOD Single : B 215 HIS : no HE2:sc= -0.036 X(o=-0.036,f=-0.44) USER MOD Single : B 221 HIS : no HE2:sc= -8.54! C(o=-8.5!,f=-12!) USER MOD Single : B 223 THR OG1 : rot 180:sc= 0 USER MOD Single : B 228 TYR OH : rot 180:sc= 0 USER MOD Single : B 233 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.7!) USER MOD Single : B 235 TYR OH : rot 180:sc= 0 USER MOD Single : B 236 ASN : amide:sc= -0.764 K(o=-0.76,f=-1.7!) USER MOD Single : B 237 THR OG1 : rot -84:sc= 0.528 USER MOD Single : B 238 LYS NZ :NH3+ 172:sc= -0.0579 (180deg=-0.125) USER MOD Single : B 243 LYS NZ :NH3+ 165:sc= -0.0191 (180deg=-0.285) USER MOD Single : B 244 MET CE :methyl 171:sc= -0.477 (180deg=-0.866) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 26.655 -16.337 -27.714 1.00 0.00 N ATOM 2 CA GLY A -1 25.974 -15.205 -28.403 1.00 0.00 C ATOM 3 C GLY A -1 24.547 -15.608 -28.756 1.00 0.00 C ATOM 4 O GLY A -1 23.623 -14.800 -28.661 1.00 0.00 O ATOM 0 H1 GLY A -1 27.546 -16.003 -27.295 1.00 0.00 H new ATOM 0 H2 GLY A -1 26.038 -16.709 -26.964 1.00 0.00 H new ATOM 0 H3 GLY A -1 26.857 -17.091 -28.401 1.00 0.00 H new ATOM 0 HA2 GLY A -1 25.966 -14.326 -27.759 1.00 0.00 H new ATOM 0 HA3 GLY A -1 26.520 -14.934 -29.306 1.00 0.00 H new ATOM 10 N SER A 0 24.375 -16.861 -29.165 1.00 0.00 N ATOM 11 CA SER A 0 23.051 -17.359 -29.530 1.00 0.00 C ATOM 12 C SER A 0 22.182 -17.526 -28.287 1.00 0.00 C ATOM 13 O SER A 0 22.689 -17.601 -27.168 1.00 0.00 O ATOM 14 CB SER A 0 23.182 -18.699 -30.253 1.00 0.00 C ATOM 15 OG SER A 0 23.993 -19.573 -29.478 1.00 0.00 O ATOM 0 H SER A 0 25.127 -17.545 -29.252 1.00 0.00 H new ATOM 0 HA SER A 0 22.577 -16.635 -30.193 1.00 0.00 H new ATOM 0 HB2 SER A 0 22.197 -19.140 -30.408 1.00 0.00 H new ATOM 0 HB3 SER A 0 23.624 -18.552 -31.238 1.00 0.00 H new ATOM 0 HG SER A 0 23.473 -20.365 -29.227 1.00 0.00 H new ATOM 21 N MET A 1 20.870 -17.580 -28.492 1.00 0.00 N ATOM 22 CA MET A 1 19.937 -17.733 -27.383 1.00 0.00 C ATOM 23 C MET A 1 20.149 -19.075 -26.687 1.00 0.00 C ATOM 24 O MET A 1 20.077 -19.172 -25.462 1.00 0.00 O ATOM 25 CB MET A 1 18.499 -17.645 -27.896 1.00 0.00 C ATOM 26 CG MET A 1 18.163 -16.188 -28.218 1.00 0.00 C ATOM 27 SD MET A 1 16.445 -16.081 -28.784 1.00 0.00 S ATOM 28 CE MET A 1 16.676 -16.842 -30.413 1.00 0.00 C ATOM 0 H MET A 1 20.431 -17.520 -29.411 1.00 0.00 H new ATOM 0 HA MET A 1 20.117 -16.932 -26.667 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.380 -18.262 -28.786 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.809 -18.032 -27.146 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.306 -15.566 -27.335 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.836 -15.809 -28.987 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.876 -16.523 -31.081 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.637 -16.534 -30.825 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.655 -17.927 -30.314 1.00 0.00 H new ATOM 38 N SER A 2 20.403 -20.107 -27.485 1.00 0.00 N ATOM 39 CA SER A 2 20.618 -21.448 -26.953 1.00 0.00 C ATOM 40 C SER A 2 21.705 -22.171 -27.738 1.00 0.00 C ATOM 41 O SER A 2 21.883 -21.941 -28.934 1.00 0.00 O ATOM 42 CB SER A 2 19.322 -22.255 -27.000 1.00 0.00 C ATOM 43 OG SER A 2 19.547 -23.543 -26.438 1.00 0.00 O ATOM 0 H SER A 2 20.465 -20.041 -28.501 1.00 0.00 H new ATOM 0 HA SER A 2 20.939 -21.353 -25.916 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.538 -21.737 -26.448 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.977 -22.350 -28.030 1.00 0.00 H new ATOM 0 HG SER A 2 18.716 -24.062 -26.466 1.00 0.00 H new ATOM 49 N ASP A 3 22.427 -23.044 -27.050 1.00 0.00 N ATOM 50 CA ASP A 3 23.501 -23.798 -27.679 1.00 0.00 C ATOM 51 C ASP A 3 22.946 -24.670 -28.794 1.00 0.00 C ATOM 52 O ASP A 3 23.582 -24.834 -29.836 1.00 0.00 O ATOM 53 CB ASP A 3 24.212 -24.681 -26.653 1.00 0.00 C ATOM 54 CG ASP A 3 25.284 -23.879 -25.926 1.00 0.00 C ATOM 55 OD1 ASP A 3 25.505 -22.742 -26.306 1.00 0.00 O1- ATOM 56 OD2 ASP A 3 25.871 -24.415 -25.000 1.00 0.00 O ATOM 0 H ASP A 3 22.289 -23.247 -26.060 1.00 0.00 H new ATOM 0 HA ASP A 3 24.217 -23.088 -28.094 1.00 0.00 H new ATOM 0 HB2 ASP A 3 23.490 -25.072 -25.936 1.00 0.00 H new ATOM 0 HB3 ASP A 3 24.664 -25.539 -27.151 1.00 0.00 H new ATOM 61 N GLN A 4 21.770 -25.247 -28.572 1.00 0.00 N ATOM 62 CA GLN A 4 21.184 -26.116 -29.582 1.00 0.00 C ATOM 63 C GLN A 4 20.964 -25.371 -30.886 1.00 0.00 C ATOM 64 O GLN A 4 21.343 -25.875 -31.937 1.00 0.00 O ATOM 65 CB GLN A 4 19.824 -26.620 -29.083 1.00 0.00 C ATOM 66 CG GLN A 4 19.205 -27.594 -30.096 1.00 0.00 C ATOM 67 CD GLN A 4 20.072 -28.842 -30.204 1.00 0.00 C ATOM 68 OE1 GLN A 4 20.619 -29.309 -29.204 1.00 0.00 O ATOM 69 NE2 GLN A 4 20.237 -29.412 -31.365 1.00 0.00 N ATOM 0 H GLN A 4 21.216 -25.132 -27.723 1.00 0.00 H new ATOM 0 HA GLN A 4 21.870 -26.945 -29.757 1.00 0.00 H new ATOM 0 HB2 GLN A 4 19.945 -27.116 -28.120 1.00 0.00 H new ATOM 0 HB3 GLN A 4 19.153 -25.776 -28.925 1.00 0.00 H new ATOM 0 HG2 GLN A 4 18.197 -27.866 -29.784 1.00 0.00 H new ATOM 0 HG3 GLN A 4 19.119 -27.114 -31.071 1.00 0.00 H new ATOM 0 HE21 GLN A 4 19.784 -29.024 -32.192 1.00 0.00 H new ATOM 0 HE22 GLN A 4 20.819 -30.245 -31.446 1.00 0.00 H new ATOM 78 N GLU A 5 20.373 -24.174 -30.805 1.00 0.00 N ATOM 79 CA GLU A 5 20.104 -23.360 -31.995 1.00 0.00 C ATOM 80 C GLU A 5 19.222 -22.163 -31.638 1.00 0.00 C ATOM 81 O GLU A 5 19.679 -21.023 -31.632 1.00 0.00 O ATOM 82 CB GLU A 5 19.395 -24.194 -33.086 1.00 0.00 C ATOM 83 CG GLU A 5 19.123 -23.330 -34.315 1.00 0.00 C ATOM 84 CD GLU A 5 18.462 -24.179 -35.392 1.00 0.00 C ATOM 85 OE1 GLU A 5 18.060 -25.288 -35.081 1.00 0.00 O1- ATOM 86 OE2 GLU A 5 18.380 -23.713 -36.516 1.00 0.00 O ATOM 0 H GLU A 5 20.072 -23.748 -29.929 1.00 0.00 H new ATOM 0 HA GLU A 5 21.063 -23.009 -32.376 1.00 0.00 H new ATOM 0 HB2 GLU A 5 20.014 -25.047 -33.362 1.00 0.00 H new ATOM 0 HB3 GLU A 5 18.458 -24.593 -32.698 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.478 -22.493 -34.049 1.00 0.00 H new ATOM 0 HG3 GLU A 5 20.055 -22.908 -34.690 1.00 0.00 H new ATOM 93 N ALA A 6 17.948 -22.438 -31.359 1.00 0.00 N ATOM 94 CA ALA A 6 17.005 -21.377 -31.024 1.00 0.00 C ATOM 95 C ALA A 6 15.921 -21.886 -30.086 1.00 0.00 C ATOM 96 O ALA A 6 15.594 -23.073 -30.085 1.00 0.00 O ATOM 97 CB ALA A 6 16.357 -20.852 -32.299 1.00 0.00 C ATOM 0 H ALA A 6 17.550 -23.377 -31.359 1.00 0.00 H new ATOM 0 HA ALA A 6 17.552 -20.578 -30.523 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.652 -20.059 -32.049 1.00 0.00 H new ATOM 0 HB2 ALA A 6 17.127 -20.458 -32.962 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.828 -21.663 -32.799 1.00 0.00 H new ATOM 103 N LYS A 7 15.369 -20.984 -29.282 1.00 0.00 N ATOM 104 CA LYS A 7 14.327 -21.373 -28.342 1.00 0.00 C ATOM 105 C LYS A 7 12.969 -21.463 -29.042 1.00 0.00 C ATOM 106 O LYS A 7 12.703 -20.715 -29.982 1.00 0.00 O ATOM 107 CB LYS A 7 14.250 -20.358 -27.201 1.00 0.00 C ATOM 108 CG LYS A 7 15.616 -19.710 -27.020 1.00 0.00 C ATOM 109 CD LYS A 7 15.638 -18.913 -25.720 1.00 0.00 C ATOM 110 CE LYS A 7 16.720 -19.477 -24.799 1.00 0.00 C ATOM 111 NZ LYS A 7 16.952 -18.530 -23.674 1.00 0.00 N1+ ATOM 0 H LYS A 7 15.620 -19.996 -29.262 1.00 0.00 H new ATOM 0 HA LYS A 7 14.577 -22.355 -27.940 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.500 -19.599 -27.423 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.942 -20.851 -26.279 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.393 -20.475 -27.002 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.833 -19.055 -27.863 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.834 -17.861 -25.928 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.665 -18.965 -25.231 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.415 -20.450 -24.413 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.644 -19.631 -25.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.688 -18.911 -23.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.261 -17.611 -24.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.070 -18.405 -23.138 1.00 0.00 H new ATOM 125 N PRO A 8 12.106 -22.350 -28.602 1.00 0.00 N ATOM 126 CA PRO A 8 10.749 -22.513 -29.207 1.00 0.00 C ATOM 127 C PRO A 8 9.872 -21.279 -29.014 1.00 0.00 C ATOM 128 O PRO A 8 8.948 -21.033 -29.788 1.00 0.00 O ATOM 129 CB PRO A 8 10.164 -23.806 -28.428 1.00 0.00 C ATOM 130 CG PRO A 8 10.911 -23.752 -27.141 1.00 0.00 C ATOM 131 CD PRO A 8 12.318 -23.292 -27.488 1.00 0.00 C ATOM 0 HA PRO A 8 10.779 -22.640 -30.289 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.086 -23.740 -28.278 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.354 -24.731 -28.972 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.436 -23.062 -26.444 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.928 -24.730 -26.659 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.803 -22.808 -26.640 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.952 -24.128 -27.784 1.00 0.00 H new ATOM 139 N SER A 9 10.158 -20.517 -27.963 1.00 0.00 N ATOM 140 CA SER A 9 9.382 -19.319 -27.652 1.00 0.00 C ATOM 141 C SER A 9 7.914 -19.670 -27.384 1.00 0.00 C ATOM 142 O SER A 9 7.195 -18.907 -26.739 1.00 0.00 O ATOM 143 CB SER A 9 9.459 -18.336 -28.821 1.00 0.00 C ATOM 144 OG SER A 9 10.776 -18.344 -29.357 1.00 0.00 O ATOM 0 H SER A 9 10.920 -20.706 -27.312 1.00 0.00 H new ATOM 0 HA SER A 9 9.802 -18.865 -26.755 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.739 -18.612 -29.591 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.197 -17.333 -28.485 1.00 0.00 H new ATOM 0 HG SER A 9 10.828 -17.716 -30.108 1.00 0.00 H new ATOM 150 N THR A 10 7.480 -20.830 -27.873 1.00 0.00 N ATOM 151 CA THR A 10 6.110 -21.273 -27.672 1.00 0.00 C ATOM 152 C THR A 10 5.828 -21.483 -26.190 1.00 0.00 C ATOM 153 O THR A 10 4.785 -21.074 -25.681 1.00 0.00 O ATOM 154 CB THR A 10 5.874 -22.579 -28.435 1.00 0.00 C ATOM 155 OG1 THR A 10 6.049 -22.351 -29.826 1.00 0.00 O ATOM 156 CG2 THR A 10 4.451 -23.072 -28.173 1.00 0.00 C ATOM 0 H THR A 10 8.059 -21.476 -28.410 1.00 0.00 H new ATOM 0 HA THR A 10 5.435 -20.505 -28.049 1.00 0.00 H new ATOM 0 HB THR A 10 6.586 -23.332 -28.098 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.976 -22.085 -30.000 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.282 -24.002 -28.716 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.317 -23.246 -27.105 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.738 -22.320 -28.511 1.00 0.00 H new ATOM 164 N GLU A 11 6.763 -22.136 -25.505 1.00 0.00 N ATOM 165 CA GLU A 11 6.600 -22.407 -24.083 1.00 0.00 C ATOM 166 C GLU A 11 6.532 -21.103 -23.298 1.00 0.00 C ATOM 167 O GLU A 11 5.714 -20.955 -22.391 1.00 0.00 O ATOM 168 CB GLU A 11 7.771 -23.255 -23.575 1.00 0.00 C ATOM 169 CG GLU A 11 7.555 -23.596 -22.096 1.00 0.00 C ATOM 170 CD GLU A 11 8.691 -24.477 -21.591 1.00 0.00 C ATOM 171 OE1 GLU A 11 9.682 -24.595 -22.294 1.00 0.00 O ATOM 172 OE2 GLU A 11 8.556 -25.021 -20.505 1.00 0.00 O1- ATOM 0 H GLU A 11 7.633 -22.484 -25.908 1.00 0.00 H new ATOM 0 HA GLU A 11 5.669 -22.954 -23.938 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.852 -24.170 -24.162 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.708 -22.712 -23.700 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.505 -22.680 -21.507 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.602 -24.109 -21.968 1.00 0.00 H new ATOM 179 N ASP A 12 7.392 -20.156 -23.655 1.00 0.00 N ATOM 180 CA ASP A 12 7.414 -18.867 -22.975 1.00 0.00 C ATOM 181 C ASP A 12 6.523 -17.868 -23.705 1.00 0.00 C ATOM 182 O ASP A 12 6.893 -17.352 -24.759 1.00 0.00 O ATOM 183 CB ASP A 12 8.846 -18.332 -22.921 1.00 0.00 C ATOM 184 CG ASP A 12 8.883 -17.021 -22.142 1.00 0.00 C ATOM 185 OD1 ASP A 12 7.823 -16.523 -21.805 1.00 0.00 O1- ATOM 186 OD2 ASP A 12 9.975 -16.533 -21.898 1.00 0.00 O ATOM 0 H ASP A 12 8.077 -20.255 -24.404 1.00 0.00 H new ATOM 0 HA ASP A 12 7.039 -19.001 -21.961 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.499 -19.065 -22.447 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.223 -18.175 -23.932 1.00 0.00 H new ATOM 191 N LEU A 13 5.353 -17.591 -23.134 1.00 0.00 N ATOM 192 CA LEU A 13 4.423 -16.643 -23.737 1.00 0.00 C ATOM 193 C LEU A 13 4.290 -15.399 -22.867 1.00 0.00 C ATOM 194 O LEU A 13 4.021 -15.491 -21.669 1.00 0.00 O ATOM 195 CB LEU A 13 3.051 -17.303 -23.904 1.00 0.00 C ATOM 196 CG LEU A 13 3.188 -18.565 -24.764 1.00 0.00 C ATOM 197 CD1 LEU A 13 1.830 -19.263 -24.870 1.00 0.00 C ATOM 198 CD2 LEU A 13 3.677 -18.193 -26.167 1.00 0.00 C ATOM 0 H LEU A 13 5.029 -18.007 -22.261 1.00 0.00 H new ATOM 0 HA LEU A 13 4.808 -16.348 -24.713 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.638 -17.559 -22.928 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.355 -16.606 -24.371 1.00 0.00 H new ATOM 0 HG LEU A 13 3.910 -19.235 -24.298 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.929 -20.160 -25.482 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.484 -19.539 -23.874 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.109 -18.588 -25.330 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.771 -19.096 -26.771 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.961 -17.517 -26.634 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.647 -17.701 -26.096 1.00 0.00 H new ATOM 210 N GLY A 14 4.477 -14.236 -23.480 1.00 0.00 N ATOM 211 CA GLY A 14 4.372 -12.977 -22.759 1.00 0.00 C ATOM 212 C GLY A 14 5.642 -12.698 -21.963 1.00 0.00 C ATOM 213 O GLY A 14 6.574 -13.504 -21.963 1.00 0.00 O ATOM 0 H GLY A 14 4.701 -14.140 -24.470 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.193 -12.164 -23.463 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.516 -13.009 -22.085 1.00 0.00 H new ATOM 217 N ASP A 15 5.667 -11.562 -21.276 1.00 0.00 N ATOM 218 CA ASP A 15 6.822 -11.200 -20.464 1.00 0.00 C ATOM 219 C ASP A 15 6.382 -10.456 -19.208 1.00 0.00 C ATOM 220 O ASP A 15 6.100 -9.258 -19.257 1.00 0.00 O ATOM 221 CB ASP A 15 7.772 -10.319 -21.276 1.00 0.00 C ATOM 222 CG ASP A 15 9.029 -10.020 -20.469 1.00 0.00 C ATOM 223 OD1 ASP A 15 9.058 -10.373 -19.302 1.00 0.00 O1- ATOM 224 OD2 ASP A 15 9.944 -9.438 -21.029 1.00 0.00 O ATOM 0 H ASP A 15 4.908 -10.881 -21.265 1.00 0.00 H new ATOM 0 HA ASP A 15 7.337 -12.114 -20.168 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.039 -10.820 -22.207 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.274 -9.388 -21.547 1.00 0.00 H new ATOM 229 N LYS A 16 6.334 -11.167 -18.085 1.00 0.00 N ATOM 230 CA LYS A 16 5.938 -10.556 -16.821 1.00 0.00 C ATOM 231 C LYS A 16 6.941 -10.888 -15.723 1.00 0.00 C ATOM 232 O LYS A 16 7.478 -11.994 -15.675 1.00 0.00 O ATOM 233 CB LYS A 16 4.548 -11.057 -16.418 1.00 0.00 C ATOM 234 CG LYS A 16 3.511 -10.547 -17.418 1.00 0.00 C ATOM 235 CD LYS A 16 2.125 -11.063 -17.025 1.00 0.00 C ATOM 236 CE LYS A 16 1.086 -10.544 -18.021 1.00 0.00 C ATOM 237 NZ LYS A 16 -0.263 -11.053 -17.641 1.00 0.00 N1+ ATOM 0 H LYS A 16 6.563 -12.159 -18.024 1.00 0.00 H new ATOM 0 HA LYS A 16 5.913 -9.474 -16.953 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.537 -12.147 -16.390 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.302 -10.710 -15.414 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.513 -9.457 -17.436 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.764 -10.883 -18.424 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.121 -12.153 -17.014 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.875 -10.733 -16.017 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.086 -9.454 -18.029 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.339 -10.870 -19.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.970 -10.701 -18.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.258 -12.093 -17.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.503 -10.721 -16.685 1.00 0.00 H new ATOM 251 N LYS A 17 7.184 -9.927 -14.837 1.00 0.00 N ATOM 252 CA LYS A 17 8.121 -10.142 -13.739 1.00 0.00 C ATOM 253 C LYS A 17 7.649 -11.275 -12.835 1.00 0.00 C ATOM 254 O LYS A 17 8.431 -12.143 -12.453 1.00 0.00 O ATOM 255 CB LYS A 17 8.266 -8.854 -12.923 1.00 0.00 C ATOM 256 CG LYS A 17 8.986 -7.787 -13.754 1.00 0.00 C ATOM 257 CD LYS A 17 9.117 -6.502 -12.939 1.00 0.00 C ATOM 258 CE LYS A 17 9.914 -5.474 -13.741 1.00 0.00 C ATOM 259 NZ LYS A 17 9.173 -5.123 -14.979 1.00 0.00 N1+ ATOM 0 H LYS A 17 6.752 -9.003 -14.856 1.00 0.00 H new ATOM 0 HA LYS A 17 9.088 -10.418 -14.160 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.283 -8.491 -12.623 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.825 -9.054 -12.009 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.973 -8.145 -14.047 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.432 -7.592 -14.672 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.130 -6.107 -12.700 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.616 -6.708 -11.992 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.082 -4.580 -13.140 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.895 -5.877 -13.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.530 -4.221 -15.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.309 -5.871 -15.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.160 -5.031 -14.763 1.00 0.00 H new ATOM 273 N GLU A 18 6.366 -11.257 -12.493 1.00 0.00 N ATOM 274 CA GLU A 18 5.803 -12.286 -11.628 1.00 0.00 C ATOM 275 C GLU A 18 6.678 -12.485 -10.396 1.00 0.00 C ATOM 276 O GLU A 18 6.736 -13.580 -9.837 1.00 0.00 O ATOM 277 CB GLU A 18 5.687 -13.605 -12.390 1.00 0.00 C ATOM 278 CG GLU A 18 4.623 -13.473 -13.479 1.00 0.00 C ATOM 279 CD GLU A 18 4.555 -14.755 -14.302 1.00 0.00 C ATOM 280 OE1 GLU A 18 5.316 -15.662 -14.013 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 3.740 -14.812 -15.208 1.00 0.00 O ATOM 0 H GLU A 18 5.701 -10.547 -12.799 1.00 0.00 H new ATOM 0 HA GLU A 18 4.812 -11.963 -11.310 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.647 -13.866 -12.835 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.423 -14.411 -11.705 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.652 -13.270 -13.027 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.857 -12.628 -14.126 1.00 0.00 H new ATOM 288 N GLY A 19 7.351 -11.417 -9.980 1.00 0.00 N ATOM 289 CA GLY A 19 8.225 -11.474 -8.809 1.00 0.00 C ATOM 290 C GLY A 19 7.759 -10.503 -7.731 1.00 0.00 C ATOM 291 O GLY A 19 7.383 -10.911 -6.633 1.00 0.00 O ATOM 0 H GLY A 19 7.310 -10.504 -10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.237 -12.488 -8.409 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.247 -11.234 -9.102 1.00 0.00 H new ATOM 295 N GLU A 20 7.797 -9.213 -8.051 1.00 0.00 N ATOM 296 CA GLU A 20 7.386 -8.193 -7.098 1.00 0.00 C ATOM 297 C GLU A 20 5.909 -8.367 -6.739 1.00 0.00 C ATOM 298 O GLU A 20 5.520 -8.218 -5.580 1.00 0.00 O ATOM 299 CB GLU A 20 7.610 -6.797 -7.694 1.00 0.00 C ATOM 300 CG GLU A 20 7.202 -5.714 -6.686 1.00 0.00 C ATOM 301 CD GLU A 20 8.111 -5.784 -5.463 1.00 0.00 C ATOM 302 OE1 GLU A 20 9.186 -6.345 -5.582 1.00 0.00 O ATOM 303 OE2 GLU A 20 7.716 -5.278 -4.426 1.00 0.00 O1- ATOM 0 H GLU A 20 8.105 -8.854 -8.954 1.00 0.00 H new ATOM 0 HA GLU A 20 7.986 -8.299 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.659 -6.674 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.029 -6.688 -8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.272 -4.729 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.163 -5.854 -6.388 1.00 0.00 H new ATOM 310 N TYR A 21 5.091 -8.668 -7.750 1.00 0.00 N ATOM 311 CA TYR A 21 3.649 -8.845 -7.544 1.00 0.00 C ATOM 312 C TYR A 21 3.330 -10.318 -7.320 1.00 0.00 C ATOM 313 O TYR A 21 4.091 -11.185 -7.747 1.00 0.00 O ATOM 314 CB TYR A 21 2.868 -8.306 -8.737 1.00 0.00 C ATOM 315 CG TYR A 21 3.126 -6.823 -8.873 1.00 0.00 C ATOM 316 CD1 TYR A 21 2.314 -5.894 -8.205 1.00 0.00 C ATOM 317 CD2 TYR A 21 4.181 -6.375 -9.682 1.00 0.00 C ATOM 318 CE1 TYR A 21 2.557 -4.520 -8.350 1.00 0.00 C ATOM 319 CE2 TYR A 21 4.422 -5.005 -9.823 1.00 0.00 C ATOM 320 CZ TYR A 21 3.611 -4.077 -9.157 1.00 0.00 C ATOM 321 OH TYR A 21 3.848 -2.727 -9.303 1.00 0.00 O ATOM 0 H TYR A 21 5.398 -8.794 -8.714 1.00 0.00 H new ATOM 0 HA TYR A 21 3.351 -8.283 -6.659 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.169 -8.824 -9.648 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.802 -8.491 -8.602 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.503 -6.236 -7.580 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.807 -7.089 -10.196 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.931 -3.804 -7.839 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.235 -4.662 -10.446 1.00 0.00 H new ATOM 0 HH TYR A 21 4.617 -2.592 -9.896 1.00 0.00 H new ATOM 331 N ILE A 22 2.219 -10.609 -6.634 1.00 0.00 N ATOM 332 CA ILE A 22 1.839 -11.988 -6.349 1.00 0.00 C ATOM 333 C ILE A 22 0.370 -12.176 -6.667 1.00 0.00 C ATOM 334 O ILE A 22 -0.345 -11.196 -6.853 1.00 0.00 O ATOM 335 CB ILE A 22 2.088 -12.307 -4.871 1.00 0.00 C ATOM 336 CG1 ILE A 22 1.167 -11.461 -3.969 1.00 0.00 C ATOM 337 CG2 ILE A 22 3.547 -11.997 -4.542 1.00 0.00 C ATOM 338 CD1 ILE A 22 1.390 -11.847 -2.513 1.00 0.00 C ATOM 0 H ILE A 22 1.573 -9.909 -6.270 1.00 0.00 H new ATOM 0 HA ILE A 22 2.439 -12.661 -6.962 1.00 0.00 H new ATOM 0 HB ILE A 22 1.874 -13.360 -4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.375 -10.401 -4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.124 -11.621 -4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.738 -12.220 -3.492 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.199 -12.608 -5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.747 -10.942 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.739 -11.249 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.160 -12.904 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.430 -11.664 -2.243 1.00 0.00 H new ATOM 350 N LYS A 23 -0.088 -13.417 -6.698 1.00 0.00 N ATOM 351 CA LYS A 23 -1.499 -13.673 -6.966 1.00 0.00 C ATOM 352 C LYS A 23 -2.235 -14.007 -5.689 1.00 0.00 C ATOM 353 O LYS A 23 -2.254 -15.166 -5.264 1.00 0.00 O ATOM 354 CB LYS A 23 -1.617 -14.835 -7.954 1.00 0.00 C ATOM 355 CG LYS A 23 -3.076 -15.054 -8.350 1.00 0.00 C ATOM 356 CD LYS A 23 -3.147 -16.142 -9.419 1.00 0.00 C ATOM 357 CE LYS A 23 -4.599 -16.345 -9.823 1.00 0.00 C ATOM 358 NZ LYS A 23 -5.123 -15.090 -10.434 1.00 0.00 N1+ ATOM 0 H LYS A 23 0.481 -14.250 -6.545 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.948 -12.776 -7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.020 -14.627 -8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.215 -15.744 -7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.662 -15.345 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.506 -14.127 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.551 -15.857 -10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.729 -17.073 -9.037 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.679 -17.169 -10.532 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.196 -16.615 -8.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.934 -15.314 -11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.426 -14.438 -9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.375 -14.641 -11.001 1.00 0.00 H new ATOM 372 N LEU A 24 -2.871 -12.995 -5.085 1.00 0.00 N ATOM 373 CA LEU A 24 -3.637 -13.197 -3.868 1.00 0.00 C ATOM 374 C LEU A 24 -5.123 -13.017 -4.134 1.00 0.00 C ATOM 375 O LEU A 24 -5.555 -12.008 -4.694 1.00 0.00 O ATOM 376 CB LEU A 24 -3.160 -12.249 -2.756 1.00 0.00 C ATOM 377 CG LEU A 24 -4.082 -12.368 -1.534 1.00 0.00 C ATOM 378 CD1 LEU A 24 -4.142 -13.805 -1.057 1.00 0.00 C ATOM 379 CD2 LEU A 24 -3.509 -11.533 -0.395 1.00 0.00 C ATOM 0 H LEU A 24 -2.865 -12.033 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.474 -14.220 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.136 -12.492 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.155 -11.222 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.077 -12.025 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.799 -13.874 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.528 -14.438 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.142 -14.139 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.158 -11.612 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.514 -11.898 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.444 -10.490 -0.705 1.00 0.00 H new ATOM 391 N LYS A 25 -5.886 -14.027 -3.747 1.00 0.00 N ATOM 392 CA LYS A 25 -7.328 -14.033 -3.954 1.00 0.00 C ATOM 393 C LYS A 25 -8.080 -14.641 -2.778 1.00 0.00 C ATOM 394 O LYS A 25 -7.491 -15.274 -1.902 1.00 0.00 O ATOM 395 CB LYS A 25 -7.644 -14.771 -5.252 1.00 0.00 C ATOM 396 CG LYS A 25 -6.780 -16.029 -5.361 1.00 0.00 C ATOM 397 CD LYS A 25 -7.057 -16.712 -6.695 1.00 0.00 C ATOM 398 CE LYS A 25 -6.124 -17.910 -6.843 1.00 0.00 C ATOM 399 NZ LYS A 25 -6.387 -18.598 -8.137 1.00 0.00 N1+ ATOM 0 H LYS A 25 -5.527 -14.862 -3.283 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.668 -13.000 -4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.700 -15.041 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.460 -14.118 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.725 -15.768 -5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.000 -16.709 -4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.097 -17.036 -6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.903 -16.011 -7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.086 -17.581 -6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.273 -18.603 -6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.818 -19.527 -7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.035 -18.022 -8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.492 -18.726 -8.650 1.00 0.00 H new ATOM 413 N VAL A 26 -9.392 -14.439 -2.782 1.00 0.00 N ATOM 414 CA VAL A 26 -10.230 -14.976 -1.719 1.00 0.00 C ATOM 415 C VAL A 26 -11.480 -15.638 -2.286 1.00 0.00 C ATOM 416 O VAL A 26 -11.960 -15.268 -3.359 1.00 0.00 O ATOM 417 CB VAL A 26 -10.635 -13.852 -0.766 1.00 0.00 C ATOM 418 CG1 VAL A 26 -9.374 -13.224 -0.168 1.00 0.00 C ATOM 419 CG2 VAL A 26 -11.425 -12.790 -1.532 1.00 0.00 C ATOM 0 H VAL A 26 -9.893 -13.914 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.656 -15.730 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.258 -14.254 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.655 -12.421 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.813 -13.983 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.754 -12.820 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.713 -11.989 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.806 -12.382 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.320 -13.241 -1.961 1.00 0.00 H new ATOM 429 N ILE A 27 -12.005 -16.613 -1.551 1.00 0.00 N ATOM 430 CA ILE A 27 -13.204 -17.318 -1.976 1.00 0.00 C ATOM 431 C ILE A 27 -14.064 -17.742 -0.774 1.00 0.00 C ATOM 432 O ILE A 27 -13.902 -18.824 -0.219 1.00 0.00 O ATOM 433 CB ILE A 27 -12.806 -18.542 -2.816 1.00 0.00 C ATOM 434 CG1 ILE A 27 -11.719 -19.353 -2.085 1.00 0.00 C ATOM 435 CG2 ILE A 27 -12.279 -18.095 -4.184 1.00 0.00 C ATOM 436 CD1 ILE A 27 -11.479 -20.670 -2.816 1.00 0.00 C ATOM 0 H ILE A 27 -11.619 -16.930 -0.662 1.00 0.00 H new ATOM 0 HA ILE A 27 -13.807 -16.642 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 27 -13.687 -19.168 -2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.794 -18.779 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.026 -19.547 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.000 -18.971 -4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.056 -17.539 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.406 -17.457 -4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.710 -21.240 -2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.404 -21.246 -2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.152 -20.466 -3.836 1.00 0.00 H new ATOM 448 N GLY A 28 -14.994 -16.893 -0.376 1.00 0.00 N ATOM 449 CA GLY A 28 -15.860 -17.218 0.747 1.00 0.00 C ATOM 450 C GLY A 28 -16.824 -18.332 0.374 1.00 0.00 C ATOM 451 O GLY A 28 -17.032 -18.627 -0.803 1.00 0.00 O ATOM 0 H GLY A 28 -15.169 -15.985 -0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.257 -17.523 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.419 -16.333 1.051 1.00 0.00 H new ATOM 455 N GLN A 29 -17.404 -18.945 1.392 1.00 0.00 N ATOM 456 CA GLN A 29 -18.349 -20.031 1.192 1.00 0.00 C ATOM 457 C GLN A 29 -19.567 -19.539 0.428 1.00 0.00 C ATOM 458 O GLN A 29 -20.140 -20.271 -0.377 1.00 0.00 O ATOM 459 CB GLN A 29 -18.792 -20.617 2.534 1.00 0.00 C ATOM 460 CG GLN A 29 -19.695 -21.832 2.289 1.00 0.00 C ATOM 461 CD GLN A 29 -20.075 -22.476 3.618 1.00 0.00 C ATOM 462 OE1 GLN A 29 -19.467 -22.184 4.647 1.00 0.00 O ATOM 463 NE2 GLN A 29 -21.050 -23.344 3.658 1.00 0.00 N ATOM 0 H GLN A 29 -17.236 -18.708 2.370 1.00 0.00 H new ATOM 0 HA GLN A 29 -17.851 -20.809 0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -17.921 -20.910 3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -19.327 -19.864 3.113 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -20.594 -21.525 1.754 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -19.180 -22.557 1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -21.553 -23.585 2.804 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -21.308 -23.781 4.543 1.00 0.00 H new ATOM 472 N ASP A 30 -19.992 -18.313 0.717 1.00 0.00 N ATOM 473 CA ASP A 30 -21.185 -17.781 0.078 1.00 0.00 C ATOM 474 C ASP A 30 -21.116 -17.897 -1.441 1.00 0.00 C ATOM 475 O ASP A 30 -22.023 -18.465 -2.042 1.00 0.00 O ATOM 476 CB ASP A 30 -21.317 -16.298 0.431 1.00 0.00 C ATOM 477 CG ASP A 30 -20.051 -15.540 0.017 1.00 0.00 C ATOM 478 OD1 ASP A 30 -19.028 -16.178 -0.165 1.00 0.00 O1- ATOM 479 OD2 ASP A 30 -20.117 -14.324 -0.075 1.00 0.00 O ATOM 0 H ASP A 30 -19.537 -17.682 1.376 1.00 0.00 H new ATOM 0 HA ASP A 30 -22.038 -18.358 0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.185 -15.873 -0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.483 -16.185 1.502 1.00 0.00 H new ATOM 484 N SER A 31 -20.026 -17.400 -2.031 1.00 0.00 N ATOM 485 CA SER A 31 -19.824 -17.468 -3.487 1.00 0.00 C ATOM 486 C SER A 31 -19.023 -16.270 -3.992 1.00 0.00 C ATOM 487 O SER A 31 -19.519 -15.476 -4.793 1.00 0.00 O ATOM 488 CB SER A 31 -21.167 -17.517 -4.236 1.00 0.00 C ATOM 489 OG SER A 31 -21.625 -18.860 -4.297 1.00 0.00 O ATOM 0 H SER A 31 -19.267 -16.945 -1.525 1.00 0.00 H new ATOM 0 HA SER A 31 -19.267 -18.384 -3.684 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.902 -16.893 -3.728 1.00 0.00 H new ATOM 0 HB3 SER A 31 -21.049 -17.115 -5.242 1.00 0.00 H new ATOM 0 HG SER A 31 -21.706 -19.220 -3.389 1.00 0.00 H new ATOM 495 N SER A 32 -17.790 -16.136 -3.518 1.00 0.00 N ATOM 496 CA SER A 32 -16.943 -15.023 -3.936 1.00 0.00 C ATOM 497 C SER A 32 -15.790 -15.530 -4.796 1.00 0.00 C ATOM 498 O SER A 32 -15.173 -16.548 -4.487 1.00 0.00 O ATOM 499 CB SER A 32 -16.384 -14.307 -2.708 1.00 0.00 C ATOM 500 OG SER A 32 -17.458 -13.750 -1.959 1.00 0.00 O ATOM 0 H SER A 32 -17.357 -16.775 -2.852 1.00 0.00 H new ATOM 0 HA SER A 32 -17.545 -14.327 -4.521 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.819 -15.006 -2.091 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.693 -13.522 -3.014 1.00 0.00 H new ATOM 0 HG SER A 32 -17.103 -13.291 -1.169 1.00 0.00 H new ATOM 506 N GLU A 33 -15.497 -14.809 -5.873 1.00 0.00 N ATOM 507 CA GLU A 33 -14.404 -15.195 -6.756 1.00 0.00 C ATOM 508 C GLU A 33 -13.669 -13.950 -7.229 1.00 0.00 C ATOM 509 O GLU A 33 -14.161 -13.237 -8.102 1.00 0.00 O ATOM 510 CB GLU A 33 -14.961 -15.955 -7.963 1.00 0.00 C ATOM 511 CG GLU A 33 -13.809 -16.420 -8.854 1.00 0.00 C ATOM 512 CD GLU A 33 -14.352 -17.232 -10.026 1.00 0.00 C ATOM 513 OE1 GLU A 33 -15.523 -17.571 -9.993 1.00 0.00 O1- ATOM 514 OE2 GLU A 33 -13.589 -17.499 -10.938 1.00 0.00 O ATOM 0 H GLU A 33 -15.995 -13.964 -6.153 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.712 -15.840 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.544 -16.813 -7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.636 -15.313 -8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.254 -15.558 -9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.111 -17.024 -8.275 1.00 0.00 H new ATOM 521 N ILE A 34 -12.487 -13.706 -6.666 1.00 0.00 N ATOM 522 CA ILE A 34 -11.699 -12.537 -7.048 1.00 0.00 C ATOM 523 C ILE A 34 -10.314 -12.965 -7.507 1.00 0.00 C ATOM 524 O ILE A 34 -9.634 -13.704 -6.808 1.00 0.00 O ATOM 525 CB ILE A 34 -11.569 -11.598 -5.850 1.00 0.00 C ATOM 526 CG1 ILE A 34 -12.970 -11.227 -5.352 1.00 0.00 C ATOM 527 CG2 ILE A 34 -10.812 -10.329 -6.257 1.00 0.00 C ATOM 528 CD1 ILE A 34 -13.793 -10.527 -6.451 1.00 0.00 C ATOM 0 H ILE A 34 -12.058 -14.295 -5.952 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.202 -12.023 -7.867 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.015 -12.097 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.491 -12.127 -5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.887 -10.572 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.724 -9.666 -5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.817 -10.597 -6.611 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.356 -9.820 -7.053 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.781 -10.278 -6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.284 -9.614 -6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -13.897 -11.193 -7.308 1.00 0.00 H new ATOM 540 N HIS A 35 -9.899 -12.499 -8.680 1.00 0.00 N ATOM 541 CA HIS A 35 -8.580 -12.852 -9.198 1.00 0.00 C ATOM 542 C HIS A 35 -7.786 -11.610 -9.588 1.00 0.00 C ATOM 543 O HIS A 35 -8.047 -11.003 -10.627 1.00 0.00 O ATOM 544 CB HIS A 35 -8.744 -13.746 -10.421 1.00 0.00 C ATOM 545 CG HIS A 35 -9.471 -15.003 -10.029 1.00 0.00 C ATOM 546 ND1 HIS A 35 -8.868 -15.997 -9.275 1.00 0.00 N ATOM 547 CD2 HIS A 35 -10.749 -15.441 -10.273 1.00 0.00 C ATOM 548 CE1 HIS A 35 -9.773 -16.973 -9.094 1.00 0.00 C ATOM 549 NE2 HIS A 35 -10.937 -16.687 -9.683 1.00 0.00 N ATOM 0 H HIS A 35 -10.446 -11.885 -9.283 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.034 -13.375 -8.413 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.299 -13.220 -11.198 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.768 -13.993 -10.838 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.495 -14.901 -10.837 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.582 -17.880 -8.539 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.782 -17.259 -9.697 1.00 0.00 H new ATOM 557 N PHE A 36 -6.808 -11.232 -8.767 1.00 0.00 N ATOM 558 CA PHE A 36 -5.991 -10.068 -9.068 1.00 0.00 C ATOM 559 C PHE A 36 -4.658 -10.185 -8.347 1.00 0.00 C ATOM 560 O PHE A 36 -4.526 -10.958 -7.397 1.00 0.00 O ATOM 561 CB PHE A 36 -6.726 -8.794 -8.636 1.00 0.00 C ATOM 562 CG PHE A 36 -6.764 -8.692 -7.132 1.00 0.00 C ATOM 563 CD1 PHE A 36 -7.463 -9.643 -6.381 1.00 0.00 C ATOM 564 CD2 PHE A 36 -6.071 -7.661 -6.486 1.00 0.00 C ATOM 565 CE1 PHE A 36 -7.485 -9.553 -4.984 1.00 0.00 C ATOM 566 CE2 PHE A 36 -6.097 -7.567 -5.094 1.00 0.00 C ATOM 567 CZ PHE A 36 -6.801 -8.519 -4.341 1.00 0.00 C ATOM 0 H PHE A 36 -6.567 -11.711 -7.899 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.808 -10.016 -10.141 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.227 -7.920 -9.053 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.742 -8.801 -9.032 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.986 -10.446 -6.879 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.516 -6.938 -7.065 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.031 -10.283 -4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.576 -6.762 -4.597 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.814 -8.452 -3.263 1.00 0.00 H new ATOM 577 N LYS A 37 -3.683 -9.409 -8.791 1.00 0.00 N ATOM 578 CA LYS A 37 -2.357 -9.423 -8.174 1.00 0.00 C ATOM 579 C LYS A 37 -2.048 -8.142 -7.398 1.00 0.00 C ATOM 580 O LYS A 37 -2.395 -7.040 -7.824 1.00 0.00 O ATOM 581 CB LYS A 37 -1.285 -9.602 -9.245 1.00 0.00 C ATOM 582 CG LYS A 37 -1.419 -10.958 -9.946 1.00 0.00 C ATOM 583 CD LYS A 37 -0.358 -11.048 -11.039 1.00 0.00 C ATOM 584 CE LYS A 37 -0.540 -12.342 -11.809 1.00 0.00 C ATOM 585 NZ LYS A 37 -0.370 -13.494 -10.882 1.00 0.00 N1+ ATOM 0 H LYS A 37 -3.779 -8.762 -9.573 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.355 -10.256 -7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.365 -8.801 -9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.297 -9.521 -8.791 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.293 -11.769 -9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.415 -11.065 -10.376 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.441 -10.196 -11.713 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.638 -11.011 -10.599 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.529 -12.371 -12.266 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.187 -12.402 -12.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.176 -14.242 -11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.137 -13.182 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.304 -13.864 -10.613 1.00 0.00 H new ATOM 599 N VAL A 38 -1.406 -8.313 -6.237 1.00 0.00 N ATOM 600 CA VAL A 38 -1.058 -7.184 -5.377 1.00 0.00 C ATOM 601 C VAL A 38 0.423 -7.234 -5.027 1.00 0.00 C ATOM 602 O VAL A 38 0.998 -8.304 -4.860 1.00 0.00 O ATOM 603 CB VAL A 38 -1.871 -7.223 -4.074 1.00 0.00 C ATOM 604 CG1 VAL A 38 -1.343 -8.340 -3.168 1.00 0.00 C ATOM 605 CG2 VAL A 38 -1.748 -5.875 -3.361 1.00 0.00 C ATOM 0 H VAL A 38 -1.119 -9.222 -5.875 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.285 -6.265 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.919 -7.418 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.922 -8.364 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.436 -9.298 -3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.295 -8.154 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.324 -5.899 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.701 -5.679 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.132 -5.085 -4.007 1.00 0.00 H new ATOM 615 N LYS A 39 1.029 -6.062 -4.925 1.00 0.00 N ATOM 616 CA LYS A 39 2.447 -5.955 -4.597 1.00 0.00 C ATOM 617 C LYS A 39 2.732 -6.481 -3.202 1.00 0.00 C ATOM 618 O LYS A 39 1.953 -6.267 -2.272 1.00 0.00 O ATOM 619 CB LYS A 39 2.874 -4.498 -4.710 1.00 0.00 C ATOM 620 CG LYS A 39 2.251 -3.695 -3.570 1.00 0.00 C ATOM 621 CD LYS A 39 2.617 -2.228 -3.732 1.00 0.00 C ATOM 622 CE LYS A 39 1.998 -1.424 -2.593 1.00 0.00 C ATOM 623 NZ LYS A 39 2.377 -0.003 -2.752 1.00 0.00 N1+ ATOM 0 H LYS A 39 0.561 -5.166 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 39 3.017 -6.563 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.961 -4.422 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.560 -4.089 -5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.168 -3.814 -3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.608 -4.067 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.701 -2.109 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.258 -1.856 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.913 -1.529 -2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.346 -1.802 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.960 0.556 -1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.413 0.085 -2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.025 0.350 -3.665 1.00 0.00 H new ATOM 637 N MET A 40 3.859 -7.180 -3.068 1.00 0.00 N ATOM 638 CA MET A 40 4.246 -7.739 -1.782 1.00 0.00 C ATOM 639 C MET A 40 5.354 -6.898 -1.149 1.00 0.00 C ATOM 640 O MET A 40 6.539 -7.222 -1.259 1.00 0.00 O ATOM 641 CB MET A 40 4.710 -9.198 -1.957 1.00 0.00 C ATOM 642 CG MET A 40 4.949 -9.829 -0.584 1.00 0.00 C ATOM 643 SD MET A 40 5.231 -11.605 -0.784 1.00 0.00 S ATOM 644 CE MET A 40 7.010 -11.510 -1.086 1.00 0.00 C ATOM 0 H MET A 40 4.512 -7.369 -3.829 1.00 0.00 H new ATOM 0 HA MET A 40 3.381 -7.725 -1.118 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.957 -9.766 -2.504 1.00 0.00 H new ATOM 0 HB3 MET A 40 5.625 -9.231 -2.548 1.00 0.00 H new ATOM 0 HG2 MET A 40 5.809 -9.364 -0.102 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.089 -9.656 0.063 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.457 -12.494 -0.941 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.188 -11.177 -2.109 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.460 -10.802 -0.390 1.00 0.00 H new ATOM 654 N THR A 41 4.959 -5.817 -0.490 1.00 0.00 N ATOM 655 CA THR A 41 5.925 -4.933 0.164 1.00 0.00 C ATOM 656 C THR A 41 5.307 -4.256 1.380 1.00 0.00 C ATOM 657 O THR A 41 5.948 -3.457 2.062 1.00 0.00 O ATOM 658 CB THR A 41 6.419 -3.883 -0.829 1.00 0.00 C ATOM 659 OG1 THR A 41 5.374 -2.958 -1.089 1.00 0.00 O ATOM 660 CG2 THR A 41 6.830 -4.568 -2.132 1.00 0.00 C ATOM 0 H THR A 41 3.985 -5.529 -0.392 1.00 0.00 H new ATOM 0 HA THR A 41 6.769 -5.533 0.503 1.00 0.00 H new ATOM 0 HB THR A 41 7.277 -3.357 -0.410 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.687 -2.281 -1.725 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.183 -3.819 -2.841 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.629 -5.282 -1.931 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.972 -5.092 -2.554 1.00 0.00 H new ATOM 668 N THR A 42 4.061 -4.608 1.650 1.00 0.00 N ATOM 669 CA THR A 42 3.370 -4.052 2.805 1.00 0.00 C ATOM 670 C THR A 42 2.453 -5.072 3.476 1.00 0.00 C ATOM 671 O THR A 42 1.967 -5.996 2.823 1.00 0.00 O ATOM 672 CB THR A 42 2.543 -2.851 2.365 1.00 0.00 C ATOM 673 OG1 THR A 42 1.537 -3.288 1.463 1.00 0.00 O ATOM 674 CG2 THR A 42 3.446 -1.841 1.655 1.00 0.00 C ATOM 0 H THR A 42 3.513 -5.266 1.096 1.00 0.00 H new ATOM 0 HA THR A 42 4.127 -3.756 3.532 1.00 0.00 H new ATOM 0 HB THR A 42 2.086 -2.382 3.237 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.104 -2.510 1.054 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.854 -0.982 1.340 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.230 -1.511 2.337 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.899 -2.309 0.781 1.00 0.00 H new ATOM 682 N HIS A 43 2.245 -4.903 4.785 1.00 0.00 N ATOM 683 CA HIS A 43 1.397 -5.820 5.550 1.00 0.00 C ATOM 684 C HIS A 43 0.221 -6.255 4.686 1.00 0.00 C ATOM 685 O HIS A 43 -0.360 -5.452 3.957 1.00 0.00 O ATOM 686 CB HIS A 43 0.869 -5.120 6.807 1.00 0.00 C ATOM 687 CG HIS A 43 1.796 -3.995 7.180 1.00 0.00 C ATOM 688 ND1 HIS A 43 2.071 -2.957 6.304 1.00 0.00 N ATOM 689 CD2 HIS A 43 2.511 -3.726 8.320 1.00 0.00 C ATOM 690 CE1 HIS A 43 2.923 -2.120 6.923 1.00 0.00 C ATOM 691 NE2 HIS A 43 3.224 -2.540 8.156 1.00 0.00 N ATOM 0 H HIS A 43 2.650 -4.144 5.334 1.00 0.00 H new ATOM 0 HA HIS A 43 1.984 -6.690 5.844 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.135 -4.734 6.627 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.794 -5.832 7.629 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.520 -4.340 9.209 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.316 -1.218 6.478 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.842 -2.090 8.831 1.00 0.00 H new ATOM 699 N LEU A 44 -0.106 -7.538 4.756 1.00 0.00 N ATOM 700 CA LEU A 44 -1.199 -8.085 3.958 1.00 0.00 C ATOM 701 C LEU A 44 -2.457 -7.237 4.126 1.00 0.00 C ATOM 702 O LEU A 44 -3.459 -7.438 3.438 1.00 0.00 O ATOM 703 CB LEU A 44 -1.477 -9.534 4.391 1.00 0.00 C ATOM 704 CG LEU A 44 -2.229 -9.564 5.740 1.00 0.00 C ATOM 705 CD1 LEU A 44 -3.716 -9.321 5.501 1.00 0.00 C ATOM 706 CD2 LEU A 44 -2.040 -10.922 6.418 1.00 0.00 C ATOM 0 H LEU A 44 0.366 -8.218 5.353 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.912 -8.071 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.068 -10.040 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.537 -10.079 4.480 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.828 -8.783 6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.246 -9.342 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.855 -8.348 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.112 -10.099 4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.574 -10.932 7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.432 -11.708 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.979 -11.095 6.597 1.00 0.00 H new ATOM 718 N LYS A 45 -2.403 -6.313 5.078 1.00 0.00 N ATOM 719 CA LYS A 45 -3.537 -5.462 5.377 1.00 0.00 C ATOM 720 C LYS A 45 -3.905 -4.615 4.177 1.00 0.00 C ATOM 721 O LYS A 45 -5.076 -4.436 3.859 1.00 0.00 O ATOM 722 CB LYS A 45 -3.214 -4.552 6.559 1.00 0.00 C ATOM 723 CG LYS A 45 -4.473 -3.770 6.952 1.00 0.00 C ATOM 724 CD LYS A 45 -4.192 -2.924 8.191 1.00 0.00 C ATOM 725 CE LYS A 45 -5.456 -2.160 8.597 1.00 0.00 C ATOM 726 NZ LYS A 45 -5.790 -1.155 7.548 1.00 0.00 N1+ ATOM 0 H LYS A 45 -1.581 -6.137 5.655 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.383 -6.102 5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.861 -5.144 7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.411 -3.863 6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.787 -3.130 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.293 -4.460 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.863 -3.562 9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.382 -2.223 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.286 -2.854 8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.301 -1.663 9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.787 -1.260 7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.633 -0.197 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.183 -1.306 6.717 1.00 0.00 H new ATOM 740 N LYS A 46 -2.894 -4.099 3.510 1.00 0.00 N ATOM 741 CA LYS A 46 -3.107 -3.258 2.348 1.00 0.00 C ATOM 742 C LYS A 46 -3.721 -4.052 1.230 1.00 0.00 C ATOM 743 O LYS A 46 -3.816 -3.563 0.106 1.00 0.00 O ATOM 744 CB LYS A 46 -1.783 -2.663 1.884 1.00 0.00 C ATOM 745 CG LYS A 46 -1.164 -1.840 3.020 1.00 0.00 C ATOM 746 CD LYS A 46 -1.813 -0.452 3.146 1.00 0.00 C ATOM 747 CE LYS A 46 -1.217 0.499 2.100 1.00 0.00 C ATOM 748 NZ LYS A 46 -1.815 1.848 2.268 1.00 0.00 N1+ ATOM 0 H LYS A 46 -1.914 -4.247 3.752 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.788 -2.453 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.101 -3.458 1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.943 -2.032 1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.276 -2.379 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.095 -1.725 2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.891 -0.531 3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.650 -0.054 4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.134 0.552 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.414 0.124 1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.414 2.496 1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.845 1.790 2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.605 2.204 3.222 1.00 0.00 H new ATOM 762 N LEU A 47 -4.171 -5.259 1.542 1.00 0.00 N ATOM 763 CA LEU A 47 -4.818 -6.079 0.548 1.00 0.00 C ATOM 764 C LEU A 47 -6.254 -6.366 0.946 1.00 0.00 C ATOM 765 O LEU A 47 -7.187 -5.998 0.232 1.00 0.00 O ATOM 766 CB LEU A 47 -4.046 -7.396 0.349 1.00 0.00 C ATOM 767 CG LEU A 47 -4.583 -8.194 -0.844 1.00 0.00 C ATOM 768 CD1 LEU A 47 -5.957 -8.804 -0.533 1.00 0.00 C ATOM 769 CD2 LEU A 47 -4.693 -7.322 -2.083 1.00 0.00 C ATOM 0 H LEU A 47 -4.098 -5.682 2.467 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.822 -5.533 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.989 -7.178 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.119 -8.000 1.253 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.872 -8.998 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.311 -9.364 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.872 -9.474 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.665 -8.008 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.077 -7.916 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.372 -6.493 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.709 -6.931 -2.341 1.00 0.00 H new ATOM 781 N LYS A 48 -6.434 -7.025 2.083 1.00 0.00 N ATOM 782 CA LYS A 48 -7.766 -7.354 2.553 1.00 0.00 C ATOM 783 C LYS A 48 -8.521 -6.108 2.989 1.00 0.00 C ATOM 784 O LYS A 48 -9.745 -6.100 3.036 1.00 0.00 O ATOM 785 CB LYS A 48 -7.671 -8.343 3.714 1.00 0.00 C ATOM 786 CG LYS A 48 -6.836 -7.732 4.859 1.00 0.00 C ATOM 787 CD LYS A 48 -7.748 -7.112 5.929 1.00 0.00 C ATOM 788 CE LYS A 48 -6.959 -6.900 7.225 1.00 0.00 C ATOM 789 NZ LYS A 48 -7.322 -5.583 7.809 1.00 0.00 N1+ ATOM 0 H LYS A 48 -5.678 -7.339 2.691 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.318 -7.809 1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.669 -8.592 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.213 -9.272 3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.210 -8.502 5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.166 -6.970 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.145 -6.161 5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.601 -7.764 6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.179 -7.698 7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.889 -6.939 7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.613 -5.311 8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.350 -4.866 7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.257 -5.649 8.260 1.00 0.00 H new ATOM 803 N GLU A 49 -7.784 -5.062 3.310 1.00 0.00 N ATOM 804 CA GLU A 49 -8.401 -3.819 3.748 1.00 0.00 C ATOM 805 C GLU A 49 -9.269 -3.237 2.633 1.00 0.00 C ATOM 806 O GLU A 49 -10.381 -2.777 2.875 1.00 0.00 O ATOM 807 CB GLU A 49 -7.309 -2.807 4.129 1.00 0.00 C ATOM 808 CG GLU A 49 -7.948 -1.520 4.647 1.00 0.00 C ATOM 809 CD GLU A 49 -6.861 -0.514 5.029 1.00 0.00 C ATOM 810 OE1 GLU A 49 -5.706 -0.775 4.730 1.00 0.00 O1- ATOM 811 OE2 GLU A 49 -7.201 0.503 5.611 1.00 0.00 O ATOM 0 H GLU A 49 -6.765 -5.045 3.277 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.029 -4.024 4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.658 -3.232 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.685 -2.590 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.598 -1.093 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.574 -1.738 5.512 1.00 0.00 H new ATOM 818 N SER A 50 -8.769 -3.298 1.407 1.00 0.00 N ATOM 819 CA SER A 50 -9.537 -2.802 0.266 1.00 0.00 C ATOM 820 C SER A 50 -10.740 -3.688 0.002 1.00 0.00 C ATOM 821 O SER A 50 -11.862 -3.207 -0.180 1.00 0.00 O ATOM 822 CB SER A 50 -8.636 -2.734 -0.970 1.00 0.00 C ATOM 823 OG SER A 50 -7.607 -1.776 -0.739 1.00 0.00 O ATOM 0 H SER A 50 -7.851 -3.678 1.175 1.00 0.00 H new ATOM 0 HA SER A 50 -9.902 -1.801 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.201 -3.713 -1.174 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.220 -2.456 -1.847 1.00 0.00 H new ATOM 0 HG SER A 50 -7.024 -1.727 -1.525 1.00 0.00 H new ATOM 829 N TYR A 51 -10.500 -4.993 0.010 1.00 0.00 N ATOM 830 CA TYR A 51 -11.559 -5.958 -0.200 1.00 0.00 C ATOM 831 C TYR A 51 -12.584 -5.874 0.921 1.00 0.00 C ATOM 832 O TYR A 51 -13.792 -5.895 0.693 1.00 0.00 O ATOM 833 CB TYR A 51 -10.997 -7.378 -0.322 1.00 0.00 C ATOM 834 CG TYR A 51 -12.128 -8.369 -0.481 1.00 0.00 C ATOM 835 CD1 TYR A 51 -12.724 -8.564 -1.736 1.00 0.00 C ATOM 836 CD2 TYR A 51 -12.563 -9.106 0.617 1.00 0.00 C ATOM 837 CE1 TYR A 51 -13.761 -9.495 -1.879 1.00 0.00 C ATOM 838 CE2 TYR A 51 -13.598 -10.036 0.477 1.00 0.00 C ATOM 839 CZ TYR A 51 -14.196 -10.234 -0.773 1.00 0.00 C ATOM 840 OH TYR A 51 -15.227 -11.144 -0.914 1.00 0.00 O ATOM 0 H TYR A 51 -9.578 -5.403 0.160 1.00 0.00 H new ATOM 0 HA TYR A 51 -12.056 -5.718 -1.140 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -10.325 -7.440 -1.178 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.409 -7.623 0.563 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.384 -7.997 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.099 -8.959 1.581 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -14.225 -9.642 -2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -13.936 -10.601 1.333 1.00 0.00 H new ATOM 0 HH TYR A 51 -16.079 -10.665 -0.987 1.00 0.00 H new ATOM 850 N CYS A 52 -12.077 -5.848 2.144 1.00 0.00 N ATOM 851 CA CYS A 52 -12.944 -5.818 3.316 1.00 0.00 C ATOM 852 C CYS A 52 -13.770 -4.540 3.395 1.00 0.00 C ATOM 853 O CYS A 52 -14.969 -4.573 3.656 1.00 0.00 O ATOM 854 CB CYS A 52 -12.090 -5.895 4.583 1.00 0.00 C ATOM 855 SG CYS A 52 -11.299 -7.515 4.687 1.00 0.00 S ATOM 0 H CYS A 52 -11.078 -5.847 2.352 1.00 0.00 H new ATOM 0 HA CYS A 52 -13.620 -6.668 3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.333 -5.110 4.571 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -12.711 -5.726 5.463 1.00 0.00 H new ATOM 0 HG CYS A 52 -10.417 -7.629 3.739 1.00 0.00 H new ATOM 861 N GLN A 53 -13.125 -3.408 3.176 1.00 0.00 N ATOM 862 CA GLN A 53 -13.820 -2.131 3.239 1.00 0.00 C ATOM 863 C GLN A 53 -14.830 -1.977 2.112 1.00 0.00 C ATOM 864 O GLN A 53 -15.914 -1.428 2.304 1.00 0.00 O ATOM 865 CB GLN A 53 -12.814 -0.988 3.175 1.00 0.00 C ATOM 866 CG GLN A 53 -11.994 -0.943 4.467 1.00 0.00 C ATOM 867 CD GLN A 53 -10.869 0.080 4.330 1.00 0.00 C ATOM 868 OE1 GLN A 53 -10.353 0.289 3.231 1.00 0.00 O ATOM 869 NE2 GLN A 53 -10.451 0.728 5.383 1.00 0.00 N ATOM 0 H GLN A 53 -12.131 -3.344 2.955 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.362 -2.101 4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.153 -1.121 2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.335 -0.041 3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.637 -0.680 5.307 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.578 -1.928 4.679 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.879 0.554 6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.696 1.409 5.297 1.00 0.00 H new ATOM 878 N ARG A 54 -14.451 -2.428 0.922 1.00 0.00 N ATOM 879 CA ARG A 54 -15.319 -2.283 -0.231 1.00 0.00 C ATOM 880 C ARG A 54 -16.461 -3.303 -0.150 1.00 0.00 C ATOM 881 O ARG A 54 -17.397 -3.266 -0.950 1.00 0.00 O ATOM 882 CB ARG A 54 -14.519 -2.465 -1.535 1.00 0.00 C ATOM 883 CG ARG A 54 -14.401 -3.939 -1.902 1.00 0.00 C ATOM 884 CD ARG A 54 -13.425 -4.129 -3.057 1.00 0.00 C ATOM 885 NE ARG A 54 -13.551 -5.497 -3.565 1.00 0.00 N ATOM 886 CZ ARG A 54 -14.444 -5.795 -4.513 1.00 0.00 C ATOM 887 NH1 ARG A 54 -15.260 -4.880 -4.970 1.00 0.00 N ATOM 888 NH2 ARG A 54 -14.531 -7.010 -4.969 1.00 0.00 N ATOM 0 H ARG A 54 -13.561 -2.890 0.735 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.743 -1.279 -0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.008 -1.923 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.524 -2.035 -1.419 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.063 -4.509 -1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.380 -4.330 -2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.635 -3.412 -3.850 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.404 -3.944 -2.722 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.950 -6.231 -3.191 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.218 -3.929 -4.602 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.938 -5.117 -5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.917 -7.737 -4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.213 -7.235 -5.693 1.00 0.00 H new ATOM 902 N GLN A 55 -16.380 -4.210 0.832 1.00 0.00 N ATOM 903 CA GLN A 55 -17.426 -5.224 1.021 1.00 0.00 C ATOM 904 C GLN A 55 -17.886 -5.264 2.472 1.00 0.00 C ATOM 905 O GLN A 55 -18.999 -4.852 2.791 1.00 0.00 O ATOM 906 CB GLN A 55 -16.952 -6.629 0.602 1.00 0.00 C ATOM 907 CG GLN A 55 -16.751 -6.673 -0.906 1.00 0.00 C ATOM 908 CD GLN A 55 -16.442 -8.091 -1.356 1.00 0.00 C ATOM 909 OE1 GLN A 55 -16.464 -9.012 -0.544 1.00 0.00 O ATOM 910 NE2 GLN A 55 -16.172 -8.317 -2.612 1.00 0.00 N ATOM 0 H GLN A 55 -15.611 -4.263 1.500 1.00 0.00 H new ATOM 0 HA GLN A 55 -18.259 -4.936 0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -16.020 -6.876 1.110 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -17.686 -7.376 0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -17.647 -6.312 -1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.935 -6.008 -1.191 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -16.157 -7.544 -3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.976 -9.267 -2.929 1.00 0.00 H new ATOM 919 N GLY A 56 -17.016 -5.757 3.342 1.00 0.00 N ATOM 920 CA GLY A 56 -17.346 -5.840 4.764 1.00 0.00 C ATOM 921 C GLY A 56 -16.093 -5.978 5.610 1.00 0.00 C ATOM 922 O GLY A 56 -15.035 -6.359 5.113 1.00 0.00 O ATOM 0 H GLY A 56 -16.088 -6.102 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.895 -4.948 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.002 -6.693 4.939 1.00 0.00 H new ATOM 926 N VAL A 57 -16.206 -5.665 6.895 1.00 0.00 N ATOM 927 CA VAL A 57 -15.047 -5.768 7.762 1.00 0.00 C ATOM 928 C VAL A 57 -15.018 -7.139 8.436 1.00 0.00 C ATOM 929 O VAL A 57 -16.054 -7.603 8.879 1.00 0.00 O ATOM 930 CB VAL A 57 -15.106 -4.670 8.830 1.00 0.00 C ATOM 931 CG1 VAL A 57 -16.234 -4.957 9.795 1.00 0.00 C ATOM 932 CG2 VAL A 57 -13.792 -4.595 9.611 1.00 0.00 C ATOM 0 H VAL A 57 -17.063 -5.347 7.347 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.143 -5.647 7.165 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.274 -3.717 8.328 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -16.273 -4.174 10.553 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.179 -4.984 9.252 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.065 -5.920 10.277 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.860 -3.808 10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.605 -5.550 10.102 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -12.974 -4.373 8.926 1.00 0.00 H new ATOM 942 N PRO A 58 -13.868 -7.774 8.550 1.00 0.00 N ATOM 943 CA PRO A 58 -13.729 -9.102 9.228 1.00 0.00 C ATOM 944 C PRO A 58 -14.014 -9.044 10.702 1.00 0.00 C ATOM 945 O PRO A 58 -14.231 -10.068 11.348 1.00 0.00 O ATOM 946 CB PRO A 58 -12.288 -9.508 8.958 1.00 0.00 C ATOM 947 CG PRO A 58 -11.570 -8.242 8.685 1.00 0.00 C ATOM 948 CD PRO A 58 -12.568 -7.337 8.009 1.00 0.00 C ATOM 0 HA PRO A 58 -14.454 -9.820 8.845 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.858 -10.027 9.815 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.223 -10.188 8.108 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.201 -7.796 9.608 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.704 -8.414 8.046 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.373 -6.289 8.235 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.531 -7.441 6.925 1.00 0.00 H new ATOM 956 N MET A 59 -13.989 -7.851 11.234 1.00 0.00 N ATOM 957 CA MET A 59 -14.229 -7.679 12.651 1.00 0.00 C ATOM 958 C MET A 59 -15.683 -7.989 13.016 1.00 0.00 C ATOM 959 O MET A 59 -16.388 -7.137 13.555 1.00 0.00 O ATOM 960 CB MET A 59 -13.928 -6.251 13.057 1.00 0.00 C ATOM 961 CG MET A 59 -12.437 -5.971 12.846 1.00 0.00 C ATOM 962 SD MET A 59 -12.040 -4.298 13.423 1.00 0.00 S ATOM 963 CE MET A 59 -10.331 -4.245 12.825 1.00 0.00 C ATOM 0 H MET A 59 -13.807 -6.990 10.719 1.00 0.00 H new ATOM 0 HA MET A 59 -13.575 -8.373 13.179 1.00 0.00 H new ATOM 0 HB2 MET A 59 -14.527 -5.558 12.466 1.00 0.00 H new ATOM 0 HB3 MET A 59 -14.196 -6.093 14.102 1.00 0.00 H new ATOM 0 HG2 MET A 59 -11.839 -6.704 13.388 1.00 0.00 H new ATOM 0 HG3 MET A 59 -12.184 -6.071 11.790 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.887 -3.283 13.078 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.757 -5.044 13.293 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.320 -4.376 11.743 1.00 0.00 H new ATOM 973 N ASN A 60 -16.115 -9.216 12.733 1.00 0.00 N ATOM 974 CA ASN A 60 -17.477 -9.627 13.053 1.00 0.00 C ATOM 975 C ASN A 60 -17.725 -11.052 12.556 1.00 0.00 C ATOM 976 O ASN A 60 -17.572 -12.021 13.303 1.00 0.00 O ATOM 977 CB ASN A 60 -18.493 -8.689 12.394 1.00 0.00 C ATOM 978 CG ASN A 60 -18.053 -8.359 10.973 1.00 0.00 C ATOM 979 OD1 ASN A 60 -17.032 -8.988 10.460 1.00 0.00 O ATOM 980 ND2 ASN A 60 -18.647 -7.506 10.317 1.00 0.00 N ATOM 0 H ASN A 60 -15.547 -9.936 12.287 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.598 -9.585 14.136 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -19.477 -9.158 12.379 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -18.586 -7.773 12.977 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -18.342 -7.288 9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -19.445 -7.016 10.721 1.00 0.00 H new ATOM 987 N SER A 61 -18.111 -11.165 11.284 1.00 0.00 N ATOM 988 CA SER A 61 -18.385 -12.473 10.679 1.00 0.00 C ATOM 989 C SER A 61 -17.247 -12.920 9.769 1.00 0.00 C ATOM 990 O SER A 61 -16.730 -14.030 9.902 1.00 0.00 O ATOM 991 CB SER A 61 -19.678 -12.420 9.869 1.00 0.00 C ATOM 992 OG SER A 61 -20.721 -11.910 10.690 1.00 0.00 O ATOM 0 H SER A 61 -18.241 -10.373 10.655 1.00 0.00 H new ATOM 0 HA SER A 61 -18.483 -13.193 11.492 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.546 -11.787 8.992 1.00 0.00 H new ATOM 0 HB3 SER A 61 -19.936 -13.415 9.508 1.00 0.00 H new ATOM 0 HG SER A 61 -21.184 -11.186 10.219 1.00 0.00 H new ATOM 998 N LEU A 62 -16.870 -12.057 8.834 1.00 0.00 N ATOM 999 CA LEU A 62 -15.805 -12.374 7.891 1.00 0.00 C ATOM 1000 C LEU A 62 -14.491 -12.616 8.621 1.00 0.00 C ATOM 1001 O LEU A 62 -14.162 -11.948 9.602 1.00 0.00 O ATOM 1002 CB LEU A 62 -15.662 -11.211 6.899 1.00 0.00 C ATOM 1003 CG LEU A 62 -16.665 -11.345 5.759 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -17.096 -9.949 5.316 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -15.998 -12.049 4.571 1.00 0.00 C ATOM 0 H LEU A 62 -17.285 -11.134 8.708 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.057 -13.288 7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.817 -10.264 7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -14.649 -11.192 6.498 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.526 -11.922 6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -17.814 -10.032 4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -17.558 -9.428 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.224 -9.390 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.715 -12.145 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.142 -11.463 4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -15.662 -13.040 4.877 1.00 0.00 H new ATOM 1017 N ARG A 63 -13.768 -13.613 8.141 1.00 0.00 N ATOM 1018 CA ARG A 63 -12.492 -14.009 8.727 1.00 0.00 C ATOM 1019 C ARG A 63 -11.452 -14.298 7.660 1.00 0.00 C ATOM 1020 O ARG A 63 -11.768 -14.826 6.608 1.00 0.00 O ATOM 1021 CB ARG A 63 -12.679 -15.241 9.623 1.00 0.00 C ATOM 1022 CG ARG A 63 -11.302 -15.776 10.063 1.00 0.00 C ATOM 1023 CD ARG A 63 -11.482 -16.880 11.099 1.00 0.00 C ATOM 1024 NE ARG A 63 -11.946 -16.318 12.363 1.00 0.00 N ATOM 1025 CZ ARG A 63 -12.324 -17.105 13.364 1.00 0.00 C ATOM 1026 NH1 ARG A 63 -12.296 -18.400 13.221 1.00 0.00 N ATOM 1027 NH2 ARG A 63 -12.716 -16.578 14.493 1.00 0.00 N ATOM 0 H ARG A 63 -14.046 -14.173 7.335 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.132 -13.175 9.329 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.275 -14.980 10.497 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -13.226 -16.015 9.084 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.759 -16.160 9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.704 -14.966 10.481 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.199 -17.616 10.735 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.538 -17.403 11.251 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.981 -15.305 12.480 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.984 -18.809 12.340 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.586 -19.004 13.990 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.731 -15.564 14.604 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.007 -17.180 15.263 1.00 0.00 H new ATOM 1041 N PHE A 64 -10.205 -13.956 7.955 1.00 0.00 N ATOM 1042 CA PHE A 64 -9.105 -14.211 7.029 1.00 0.00 C ATOM 1043 C PHE A 64 -8.159 -15.260 7.592 1.00 0.00 C ATOM 1044 O PHE A 64 -7.475 -15.005 8.583 1.00 0.00 O ATOM 1045 CB PHE A 64 -8.340 -12.910 6.759 1.00 0.00 C ATOM 1046 CG PHE A 64 -9.153 -12.043 5.845 1.00 0.00 C ATOM 1047 CD1 PHE A 64 -10.192 -11.267 6.353 1.00 0.00 C ATOM 1048 CD2 PHE A 64 -8.877 -12.035 4.474 1.00 0.00 C ATOM 1049 CE1 PHE A 64 -10.955 -10.475 5.490 1.00 0.00 C ATOM 1050 CE2 PHE A 64 -9.639 -11.248 3.614 1.00 0.00 C ATOM 1051 CZ PHE A 64 -10.677 -10.470 4.122 1.00 0.00 C ATOM 0 H PHE A 64 -9.928 -13.502 8.826 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.520 -14.587 6.094 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.143 -12.388 7.696 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.373 -13.130 6.307 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -10.408 -11.277 7.411 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.072 -12.639 4.082 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -11.758 -9.868 5.881 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.426 -11.241 2.555 1.00 0.00 H new ATOM 0 HZ PHE A 64 -11.269 -9.861 3.455 1.00 0.00 H new ATOM 1061 N LEU A 65 -8.103 -16.445 6.969 1.00 0.00 N ATOM 1062 CA LEU A 65 -7.218 -17.484 7.455 1.00 0.00 C ATOM 1063 C LEU A 65 -6.058 -17.616 6.471 1.00 0.00 C ATOM 1064 O LEU A 65 -6.240 -18.071 5.341 1.00 0.00 O ATOM 1065 CB LEU A 65 -7.979 -18.813 7.503 1.00 0.00 C ATOM 1066 CG LEU A 65 -7.293 -19.771 8.476 1.00 0.00 C ATOM 1067 CD1 LEU A 65 -7.759 -19.481 9.910 1.00 0.00 C ATOM 1068 CD2 LEU A 65 -7.638 -21.216 8.115 1.00 0.00 C ATOM 0 H LEU A 65 -8.652 -16.694 6.146 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.853 -17.235 8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.009 -18.641 7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.016 -19.257 6.508 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.214 -19.628 8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.266 -20.167 10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.503 -18.455 10.175 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.839 -19.614 9.976 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.145 -21.893 8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.717 -21.358 8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.298 -21.429 7.102 1.00 0.00 H new ATOM 1080 N PHE A 66 -4.882 -17.175 6.894 1.00 0.00 N ATOM 1081 CA PHE A 66 -3.706 -17.203 6.033 1.00 0.00 C ATOM 1082 C PHE A 66 -3.333 -18.643 5.694 1.00 0.00 C ATOM 1083 O PHE A 66 -3.007 -18.953 4.547 1.00 0.00 O ATOM 1084 CB PHE A 66 -2.539 -16.493 6.719 1.00 0.00 C ATOM 1085 CG PHE A 66 -1.529 -16.052 5.683 1.00 0.00 C ATOM 1086 CD1 PHE A 66 -1.892 -15.056 4.768 1.00 0.00 C ATOM 1087 CD2 PHE A 66 -0.239 -16.601 5.641 1.00 0.00 C ATOM 1088 CE1 PHE A 66 -0.982 -14.619 3.809 1.00 0.00 C ATOM 1089 CE2 PHE A 66 0.672 -16.160 4.674 1.00 0.00 C ATOM 1090 CZ PHE A 66 0.299 -15.169 3.760 1.00 0.00 C ATOM 0 H PHE A 66 -4.716 -16.794 7.826 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.935 -16.680 5.104 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.903 -15.630 7.276 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.067 -17.161 7.439 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.882 -14.625 4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.050 -17.361 6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.268 -13.854 3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.664 -16.585 4.634 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.004 -14.829 3.015 1.00 0.00 H new ATOM 1100 N GLU A 67 -3.377 -19.520 6.695 1.00 0.00 N ATOM 1101 CA GLU A 67 -3.041 -20.922 6.491 1.00 0.00 C ATOM 1102 C GLU A 67 -3.960 -21.824 7.319 1.00 0.00 C ATOM 1103 O GLU A 67 -4.921 -22.395 6.803 1.00 0.00 O ATOM 1104 CB GLU A 67 -1.576 -21.173 6.880 1.00 0.00 C ATOM 1105 CG GLU A 67 -1.171 -20.258 8.048 1.00 0.00 C ATOM 1106 CD GLU A 67 0.264 -20.538 8.465 1.00 0.00 C ATOM 1107 OE1 GLU A 67 0.682 -21.678 8.360 1.00 0.00 O1- ATOM 1108 OE2 GLU A 67 0.924 -19.604 8.894 1.00 0.00 O ATOM 0 H GLU A 67 -3.641 -19.283 7.651 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.179 -21.159 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.441 -22.217 7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.928 -20.989 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.274 -19.214 7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.840 -20.418 8.893 1.00 0.00 H new ATOM 1115 N GLY A 68 -3.646 -21.950 8.604 1.00 0.00 N ATOM 1116 CA GLY A 68 -4.425 -22.779 9.518 1.00 0.00 C ATOM 1117 C GLY A 68 -4.580 -22.079 10.868 1.00 0.00 C ATOM 1118 O GLY A 68 -4.610 -22.729 11.912 1.00 0.00 O ATOM 0 H GLY A 68 -2.850 -21.484 9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.407 -22.980 9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.934 -23.742 9.654 1.00 0.00 H new ATOM 1122 N GLN A 69 -4.678 -20.754 10.838 1.00 0.00 N ATOM 1123 CA GLN A 69 -4.822 -19.982 12.067 1.00 0.00 C ATOM 1124 C GLN A 69 -5.204 -18.538 11.757 1.00 0.00 C ATOM 1125 O GLN A 69 -5.527 -18.206 10.618 1.00 0.00 O ATOM 1126 CB GLN A 69 -3.526 -20.028 12.874 1.00 0.00 C ATOM 1127 CG GLN A 69 -2.397 -19.408 12.056 1.00 0.00 C ATOM 1128 CD GLN A 69 -1.077 -19.540 12.805 1.00 0.00 C ATOM 1129 OE1 GLN A 69 -0.990 -20.283 13.782 1.00 0.00 O ATOM 1130 NE2 GLN A 69 -0.034 -18.874 12.392 1.00 0.00 N ATOM 0 H GLN A 69 -4.661 -20.196 9.984 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.621 -20.426 12.661 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.650 -19.487 13.812 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.281 -21.059 13.130 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.326 -19.902 11.087 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.612 -18.357 11.863 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.110 -18.259 11.582 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.857 -18.968 12.879 1.00 0.00 H new ATOM 1139 N ARG A 70 -5.137 -17.686 12.771 1.00 0.00 N ATOM 1140 CA ARG A 70 -5.466 -16.273 12.592 1.00 0.00 C ATOM 1141 C ARG A 70 -4.233 -15.411 12.845 1.00 0.00 C ATOM 1142 O ARG A 70 -3.456 -15.677 13.764 1.00 0.00 O ATOM 1143 CB ARG A 70 -6.576 -15.868 13.563 1.00 0.00 C ATOM 1144 CG ARG A 70 -7.839 -16.668 13.261 1.00 0.00 C ATOM 1145 CD ARG A 70 -8.908 -16.333 14.302 1.00 0.00 C ATOM 1146 NE ARG A 70 -9.338 -14.948 14.156 1.00 0.00 N ATOM 1147 CZ ARG A 70 -10.198 -14.404 15.009 1.00 0.00 C ATOM 1148 NH1 ARG A 70 -10.670 -15.112 16.000 1.00 0.00 N ATOM 1149 NH2 ARG A 70 -10.572 -13.164 14.854 1.00 0.00 N ATOM 0 H ARG A 70 -4.861 -17.942 13.719 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.807 -16.121 11.568 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.257 -16.047 14.590 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.780 -14.801 13.474 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.202 -16.433 12.261 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.620 -17.736 13.278 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.762 -17.000 14.185 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.512 -16.495 15.305 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.972 -14.388 13.386 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.378 -16.082 16.118 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.331 -14.695 16.656 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.204 -12.613 14.078 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.233 -12.745 15.509 1.00 0.00 H new ATOM 1163 N ILE A 71 -4.060 -14.382 12.018 1.00 0.00 N ATOM 1164 CA ILE A 71 -2.914 -13.484 12.146 1.00 0.00 C ATOM 1165 C ILE A 71 -3.365 -12.028 12.223 1.00 0.00 C ATOM 1166 O ILE A 71 -4.447 -11.675 11.752 1.00 0.00 O ATOM 1167 CB ILE A 71 -1.977 -13.673 10.942 1.00 0.00 C ATOM 1168 CG1 ILE A 71 -2.730 -13.350 9.638 1.00 0.00 C ATOM 1169 CG2 ILE A 71 -1.485 -15.121 10.902 1.00 0.00 C ATOM 1170 CD1 ILE A 71 -1.752 -13.320 8.462 1.00 0.00 C ATOM 0 H ILE A 71 -4.696 -14.150 11.255 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.386 -13.727 13.068 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.125 -13.000 11.040 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.503 -14.098 9.460 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.233 -12.387 9.728 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.821 -15.256 10.049 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.945 -15.347 11.822 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.338 -15.793 10.807 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.294 -13.091 7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.995 -12.555 8.637 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.269 -14.293 8.365 1.00 0.00 H new ATOM 1182 N ALA A 72 -2.521 -11.186 12.804 1.00 0.00 N ATOM 1183 CA ALA A 72 -2.823 -9.765 12.924 1.00 0.00 C ATOM 1184 C ALA A 72 -2.549 -9.049 11.603 1.00 0.00 C ATOM 1185 O ALA A 72 -1.833 -9.559 10.743 1.00 0.00 O ATOM 1186 CB ALA A 72 -2.007 -9.133 14.056 1.00 0.00 C ATOM 0 H ALA A 72 -1.622 -11.462 13.200 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.881 -9.657 13.164 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.247 -8.072 14.129 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.249 -9.626 14.998 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.944 -9.251 13.848 1.00 0.00 H new ATOM 1192 N ASP A 73 -3.149 -7.877 11.446 1.00 0.00 N ATOM 1193 CA ASP A 73 -2.995 -7.090 10.221 1.00 0.00 C ATOM 1194 C ASP A 73 -1.989 -5.952 10.423 1.00 0.00 C ATOM 1195 O ASP A 73 -1.974 -4.988 9.658 1.00 0.00 O ATOM 1196 CB ASP A 73 -4.352 -6.522 9.804 1.00 0.00 C ATOM 1197 CG ASP A 73 -4.887 -5.584 10.875 1.00 0.00 C ATOM 1198 OD1 ASP A 73 -4.258 -5.491 11.914 1.00 0.00 O ATOM 1199 OD2 ASP A 73 -5.915 -4.971 10.641 1.00 0.00 O1- ATOM 0 H ASP A 73 -3.748 -7.446 12.150 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.615 -7.742 9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.255 -5.987 8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.058 -7.335 9.638 1.00 0.00 H new ATOM 1204 N ASN A 74 -1.170 -6.070 11.467 1.00 0.00 N ATOM 1205 CA ASN A 74 -0.166 -5.046 11.778 1.00 0.00 C ATOM 1206 C ASN A 74 1.257 -5.573 11.590 1.00 0.00 C ATOM 1207 O ASN A 74 2.221 -4.999 12.100 1.00 0.00 O ATOM 1208 CB ASN A 74 -0.370 -4.560 13.205 1.00 0.00 C ATOM 1209 CG ASN A 74 -0.144 -5.703 14.182 1.00 0.00 C ATOM 1210 OD1 ASN A 74 0.317 -6.776 13.791 1.00 0.00 O ATOM 1211 ND2 ASN A 74 -0.470 -5.544 15.431 1.00 0.00 N ATOM 0 H ASN A 74 -1.179 -6.860 12.112 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.295 -4.215 11.085 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.319 -3.744 13.422 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.379 -4.165 13.322 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.344 -6.310 16.092 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.851 -4.653 15.749 1.00 0.00 H new ATOM 1218 N HIS A 75 1.369 -6.676 10.868 1.00 0.00 N ATOM 1219 CA HIS A 75 2.674 -7.279 10.628 1.00 0.00 C ATOM 1220 C HIS A 75 2.786 -7.786 9.200 1.00 0.00 C ATOM 1221 O HIS A 75 1.781 -8.090 8.554 1.00 0.00 O ATOM 1222 CB HIS A 75 2.887 -8.458 11.581 1.00 0.00 C ATOM 1223 CG HIS A 75 1.840 -9.505 11.311 1.00 0.00 C ATOM 1224 ND1 HIS A 75 1.975 -10.454 10.307 1.00 0.00 N ATOM 1225 CD2 HIS A 75 0.640 -9.770 11.911 1.00 0.00 C ATOM 1226 CE1 HIS A 75 0.881 -11.234 10.338 1.00 0.00 C ATOM 1227 NE2 HIS A 75 0.035 -10.860 11.298 1.00 0.00 N ATOM 0 H HIS A 75 0.584 -7.169 10.442 1.00 0.00 H new ATOM 0 HA HIS A 75 3.431 -6.513 10.797 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.883 -8.878 11.443 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.824 -8.121 12.616 1.00 0.00 H new ATOM 0 HD1 HIS A 75 2.761 -10.543 9.663 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.224 -9.214 12.739 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.708 -12.063 9.667 1.00 0.00 H new ATOM 1235 N THR A 76 4.028 -7.875 8.722 1.00 0.00 N ATOM 1236 CA THR A 76 4.309 -8.349 7.373 1.00 0.00 C ATOM 1237 C THR A 76 5.379 -9.447 7.389 1.00 0.00 C ATOM 1238 O THR A 76 5.273 -10.424 6.651 1.00 0.00 O ATOM 1239 CB THR A 76 4.789 -7.192 6.479 1.00 0.00 C ATOM 1240 OG1 THR A 76 6.206 -7.158 6.453 1.00 0.00 O ATOM 1241 CG2 THR A 76 4.254 -5.870 7.021 1.00 0.00 C ATOM 0 H THR A 76 4.859 -7.622 9.257 1.00 0.00 H new ATOM 0 HA THR A 76 3.383 -8.758 6.970 1.00 0.00 H new ATOM 0 HB THR A 76 4.417 -7.345 5.466 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.505 -6.421 5.881 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.595 -5.052 6.387 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.164 -5.894 7.028 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.620 -5.718 8.036 1.00 0.00 H new ATOM 1249 N PRO A 77 6.416 -9.301 8.193 1.00 0.00 N ATOM 1250 CA PRO A 77 7.528 -10.282 8.274 1.00 0.00 C ATOM 1251 C PRO A 77 7.249 -11.396 9.277 1.00 0.00 C ATOM 1252 O PRO A 77 8.087 -12.267 9.497 1.00 0.00 O ATOM 1253 CB PRO A 77 8.735 -9.328 8.604 1.00 0.00 C ATOM 1254 CG PRO A 77 8.145 -8.243 9.441 1.00 0.00 C ATOM 1255 CD PRO A 77 6.651 -8.197 9.151 1.00 0.00 C ATOM 0 HA PRO A 77 7.710 -10.874 7.377 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.523 -9.857 9.140 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.183 -8.927 7.695 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.324 -8.436 10.499 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.610 -7.285 9.209 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.067 -8.333 10.061 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.360 -7.236 8.726 1.00 0.00 H new ATOM 1263 N LYS A 78 6.060 -11.376 9.862 1.00 0.00 N ATOM 1264 CA LYS A 78 5.691 -12.413 10.819 1.00 0.00 C ATOM 1265 C LYS A 78 5.668 -13.785 10.161 1.00 0.00 C ATOM 1266 O LYS A 78 6.238 -14.743 10.683 1.00 0.00 O ATOM 1267 CB LYS A 78 4.317 -12.096 11.401 1.00 0.00 C ATOM 1268 CG LYS A 78 3.929 -13.152 12.434 1.00 0.00 C ATOM 1269 CD LYS A 78 4.838 -13.036 13.657 1.00 0.00 C ATOM 1270 CE LYS A 78 4.210 -13.808 14.813 1.00 0.00 C ATOM 1271 NZ LYS A 78 4.245 -15.269 14.518 1.00 0.00 N1+ ATOM 0 H LYS A 78 5.345 -10.668 9.696 1.00 0.00 H new ATOM 0 HA LYS A 78 6.436 -12.432 11.614 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.328 -11.109 11.864 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.574 -12.065 10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.888 -13.020 12.729 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.014 -14.148 11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.827 -13.434 13.431 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.971 -11.989 13.930 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.749 -13.601 15.737 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.181 -13.482 14.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.910 -15.799 15.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.629 -15.474 13.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.220 -15.555 14.295 1.00 0.00 H new ATOM 1285 N GLU A 79 5.015 -13.865 9.012 1.00 0.00 N ATOM 1286 CA GLU A 79 4.916 -15.125 8.276 1.00 0.00 C ATOM 1287 C GLU A 79 4.879 -14.904 6.771 1.00 0.00 C ATOM 1288 O GLU A 79 5.798 -15.330 6.073 1.00 0.00 O ATOM 1289 CB GLU A 79 3.654 -15.893 8.726 1.00 0.00 C ATOM 1290 CG GLU A 79 3.560 -17.244 8.004 1.00 0.00 C ATOM 1291 CD GLU A 79 4.673 -18.175 8.482 1.00 0.00 C ATOM 1292 OE1 GLU A 79 5.374 -17.803 9.408 1.00 0.00 O1- ATOM 1293 OE2 GLU A 79 4.816 -19.237 7.901 1.00 0.00 O ATOM 0 H GLU A 79 4.545 -13.077 8.566 1.00 0.00 H new ATOM 0 HA GLU A 79 5.807 -15.712 8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.683 -16.052 9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.765 -15.299 8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.588 -17.699 8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.637 -17.095 6.927 1.00 0.00 H new ATOM 1300 N LEU A 80 3.804 -14.242 6.330 1.00 0.00 N ATOM 1301 CA LEU A 80 3.569 -13.940 4.901 1.00 0.00 C ATOM 1302 C LEU A 80 4.680 -14.607 4.082 1.00 0.00 C ATOM 1303 O LEU A 80 4.758 -15.840 4.050 1.00 0.00 O ATOM 1304 CB LEU A 80 3.607 -12.437 4.654 1.00 0.00 C ATOM 1305 CG LEU A 80 2.327 -11.802 5.172 1.00 0.00 C ATOM 1306 CD1 LEU A 80 2.181 -12.055 6.677 1.00 0.00 C ATOM 1307 CD2 LEU A 80 2.393 -10.308 4.892 1.00 0.00 C ATOM 0 H LEU A 80 3.069 -13.898 6.948 1.00 0.00 H new ATOM 0 HA LEU A 80 2.588 -14.315 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.471 -11.998 5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.719 -12.236 3.589 1.00 0.00 H new ATOM 0 HG LEU A 80 1.462 -12.239 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.260 -11.595 7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.147 -13.128 6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.032 -11.622 7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.484 -9.829 5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.257 -9.880 5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.486 -10.143 3.819 1.00 0.00 H new ATOM 1319 N GLY A 81 5.561 -13.818 3.445 1.00 0.00 N ATOM 1320 CA GLY A 81 6.668 -14.401 2.694 1.00 0.00 C ATOM 1321 C GLY A 81 6.168 -15.241 1.528 1.00 0.00 C ATOM 1322 O GLY A 81 6.686 -16.327 1.263 1.00 0.00 O ATOM 0 H GLY A 81 5.525 -12.799 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.315 -13.607 2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.273 -15.020 3.357 1.00 0.00 H new ATOM 1326 N MET A 82 5.145 -14.743 0.855 1.00 0.00 N ATOM 1327 CA MET A 82 4.564 -15.473 -0.265 1.00 0.00 C ATOM 1328 C MET A 82 5.376 -15.224 -1.530 1.00 0.00 C ATOM 1329 O MET A 82 6.031 -14.188 -1.667 1.00 0.00 O ATOM 1330 CB MET A 82 3.115 -15.052 -0.483 1.00 0.00 C ATOM 1331 CG MET A 82 2.345 -15.245 0.828 1.00 0.00 C ATOM 1332 SD MET A 82 2.582 -16.919 1.499 1.00 0.00 S ATOM 1333 CE MET A 82 1.667 -17.831 0.245 1.00 0.00 C ATOM 0 H MET A 82 4.702 -13.847 1.059 1.00 0.00 H new ATOM 0 HA MET A 82 4.585 -16.538 -0.033 1.00 0.00 H new ATOM 0 HB2 MET A 82 3.068 -14.010 -0.799 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.664 -15.647 -1.277 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.678 -14.508 1.559 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.283 -15.067 0.657 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.876 -18.410 0.721 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.227 -17.131 -0.465 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.343 -18.504 -0.281 1.00 0.00 H new ATOM 1343 N GLU A 83 5.329 -16.176 -2.453 1.00 0.00 N ATOM 1344 CA GLU A 83 6.069 -16.041 -3.705 1.00 0.00 C ATOM 1345 C GLU A 83 5.167 -15.541 -4.829 1.00 0.00 C ATOM 1346 O GLU A 83 5.491 -14.568 -5.509 1.00 0.00 O ATOM 1347 CB GLU A 83 6.671 -17.394 -4.095 1.00 0.00 C ATOM 1348 CG GLU A 83 7.763 -17.791 -3.097 1.00 0.00 C ATOM 1349 CD GLU A 83 7.131 -18.404 -1.852 1.00 0.00 C ATOM 1350 OE1 GLU A 83 5.914 -18.407 -1.769 1.00 0.00 O1- ATOM 1351 OE2 GLU A 83 7.874 -18.867 -1.002 1.00 0.00 O ATOM 0 H GLU A 83 4.794 -17.040 -2.363 1.00 0.00 H new ATOM 0 HA GLU A 83 6.864 -15.310 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.891 -18.156 -4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.089 -17.339 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.446 -18.505 -3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.353 -16.916 -2.823 1.00 0.00 H new ATOM 1358 N GLU A 84 4.042 -16.217 -5.025 1.00 0.00 N ATOM 1359 CA GLU A 84 3.111 -15.828 -6.075 1.00 0.00 C ATOM 1360 C GLU A 84 1.719 -16.378 -5.787 1.00 0.00 C ATOM 1361 O GLU A 84 0.738 -15.638 -5.797 1.00 0.00 O ATOM 1362 CB GLU A 84 3.601 -16.357 -7.427 1.00 0.00 C ATOM 1363 CG GLU A 84 2.653 -15.893 -8.540 1.00 0.00 C ATOM 1364 CD GLU A 84 3.162 -16.372 -9.894 1.00 0.00 C ATOM 1365 OE1 GLU A 84 4.314 -16.770 -9.964 1.00 0.00 O ATOM 1366 OE2 GLU A 84 2.395 -16.331 -10.842 1.00 0.00 O1- ATOM 0 H GLU A 84 3.755 -17.028 -4.477 1.00 0.00 H new ATOM 0 HA GLU A 84 3.060 -14.740 -6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.611 -15.998 -7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.648 -17.446 -7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.651 -16.283 -8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.578 -14.806 -8.535 1.00 0.00 H new ATOM 1373 N GLU A 85 1.638 -17.685 -5.560 1.00 0.00 N ATOM 1374 CA GLU A 85 0.348 -18.315 -5.303 1.00 0.00 C ATOM 1375 C GLU A 85 -0.054 -18.153 -3.844 1.00 0.00 C ATOM 1376 O GLU A 85 0.160 -19.047 -3.025 1.00 0.00 O ATOM 1377 CB GLU A 85 0.431 -19.807 -5.651 1.00 0.00 C ATOM 1378 CG GLU A 85 0.603 -19.984 -7.162 1.00 0.00 C ATOM 1379 CD GLU A 85 0.760 -21.461 -7.505 1.00 0.00 C ATOM 1380 OE1 GLU A 85 0.783 -22.261 -6.584 1.00 0.00 O1- ATOM 1381 OE2 GLU A 85 0.851 -21.771 -8.681 1.00 0.00 O ATOM 0 H GLU A 85 2.436 -18.320 -5.549 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.406 -17.830 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.269 -20.265 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.472 -20.317 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.260 -19.572 -7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.477 -19.429 -7.503 1.00 0.00 H new ATOM 1388 N ASP A 86 -0.655 -17.011 -3.537 1.00 0.00 N ATOM 1389 CA ASP A 86 -1.107 -16.734 -2.187 1.00 0.00 C ATOM 1390 C ASP A 86 -2.620 -16.929 -2.095 1.00 0.00 C ATOM 1391 O ASP A 86 -3.376 -16.255 -2.781 1.00 0.00 O ATOM 1392 CB ASP A 86 -0.707 -15.316 -1.766 1.00 0.00 C ATOM 1393 CG ASP A 86 -1.078 -15.094 -0.301 1.00 0.00 C ATOM 1394 OD1 ASP A 86 -1.378 -16.067 0.372 1.00 0.00 O ATOM 1395 OD2 ASP A 86 -1.055 -13.951 0.126 1.00 0.00 O1- ATOM 0 H ASP A 86 -0.839 -16.264 -4.207 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.627 -17.432 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.364 -15.172 -1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.212 -14.583 -2.395 1.00 0.00 H new ATOM 1400 N VAL A 87 -3.062 -17.873 -1.272 1.00 0.00 N ATOM 1401 CA VAL A 87 -4.496 -18.138 -1.134 1.00 0.00 C ATOM 1402 C VAL A 87 -4.956 -17.972 0.313 1.00 0.00 C ATOM 1403 O VAL A 87 -4.369 -18.544 1.231 1.00 0.00 O ATOM 1404 CB VAL A 87 -4.807 -19.556 -1.599 1.00 0.00 C ATOM 1405 CG1 VAL A 87 -6.233 -19.931 -1.190 1.00 0.00 C ATOM 1406 CG2 VAL A 87 -4.671 -19.645 -3.119 1.00 0.00 C ATOM 0 H VAL A 87 -2.461 -18.462 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.030 -17.416 -1.752 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.103 -20.247 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.452 -20.945 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.326 -19.878 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.937 -19.238 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.894 -20.661 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.369 -18.951 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.653 -19.387 -3.409 1.00 0.00 H new ATOM 1416 N ILE A 88 -6.026 -17.202 0.492 1.00 0.00 N ATOM 1417 CA ILE A 88 -6.608 -16.966 1.815 1.00 0.00 C ATOM 1418 C ILE A 88 -8.071 -17.397 1.855 1.00 0.00 C ATOM 1419 O ILE A 88 -8.873 -16.984 1.019 1.00 0.00 O ATOM 1420 CB ILE A 88 -6.487 -15.490 2.203 1.00 0.00 C ATOM 1421 CG1 ILE A 88 -5.006 -15.123 2.383 1.00 0.00 C ATOM 1422 CG2 ILE A 88 -7.254 -15.223 3.498 1.00 0.00 C ATOM 1423 CD1 ILE A 88 -4.844 -13.602 2.498 1.00 0.00 C ATOM 0 H ILE A 88 -6.513 -16.726 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.051 -17.566 2.535 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.914 -14.876 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.611 -15.606 3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.427 -15.494 1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.162 -14.170 3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.306 -15.470 3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.842 -15.838 4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.790 -13.357 2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.220 -13.126 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.407 -13.240 3.358 1.00 0.00 H new ATOM 1435 N GLU A 89 -8.407 -18.216 2.842 1.00 0.00 N ATOM 1436 CA GLU A 89 -9.778 -18.697 3.010 1.00 0.00 C ATOM 1437 C GLU A 89 -10.534 -17.811 3.974 1.00 0.00 C ATOM 1438 O GLU A 89 -9.977 -17.347 4.971 1.00 0.00 O ATOM 1439 CB GLU A 89 -9.762 -20.130 3.541 1.00 0.00 C ATOM 1440 CG GLU A 89 -9.208 -21.056 2.471 1.00 0.00 C ATOM 1441 CD GLU A 89 -9.106 -22.484 3.004 1.00 0.00 C ATOM 1442 OE1 GLU A 89 -9.405 -22.683 4.170 1.00 0.00 O1- ATOM 1443 OE2 GLU A 89 -8.737 -23.357 2.235 1.00 0.00 O ATOM 0 H GLU A 89 -7.751 -18.564 3.541 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.277 -18.672 2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.151 -20.189 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.770 -20.438 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.853 -21.034 1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.225 -20.708 2.154 1.00 0.00 H new ATOM 1450 N VAL A 90 -11.810 -17.590 3.678 1.00 0.00 N ATOM 1451 CA VAL A 90 -12.640 -16.766 4.539 1.00 0.00 C ATOM 1452 C VAL A 90 -13.980 -17.437 4.793 1.00 0.00 C ATOM 1453 O VAL A 90 -14.432 -18.256 3.993 1.00 0.00 O ATOM 1454 CB VAL A 90 -12.869 -15.393 3.890 1.00 0.00 C ATOM 1455 CG1 VAL A 90 -11.535 -14.675 3.692 1.00 0.00 C ATOM 1456 CG2 VAL A 90 -13.537 -15.575 2.524 1.00 0.00 C ATOM 0 H VAL A 90 -12.285 -17.966 2.858 1.00 0.00 H new ATOM 0 HA VAL A 90 -12.125 -16.637 5.491 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.509 -14.800 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.710 -13.703 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.049 -14.537 4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.893 -15.273 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.699 -14.600 2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.894 -16.176 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -14.495 -16.079 2.652 1.00 0.00 H new ATOM 1466 N TYR A 91 -14.621 -17.070 5.899 1.00 0.00 N ATOM 1467 CA TYR A 91 -15.923 -17.633 6.234 1.00 0.00 C ATOM 1468 C TYR A 91 -16.934 -16.518 6.443 1.00 0.00 C ATOM 1469 O TYR A 91 -16.642 -15.530 7.116 1.00 0.00 O ATOM 1470 CB TYR A 91 -15.814 -18.478 7.507 1.00 0.00 C ATOM 1471 CG TYR A 91 -14.870 -19.630 7.258 1.00 0.00 C ATOM 1472 CD1 TYR A 91 -15.343 -20.802 6.655 1.00 0.00 C ATOM 1473 CD2 TYR A 91 -13.522 -19.528 7.629 1.00 0.00 C ATOM 1474 CE1 TYR A 91 -14.469 -21.871 6.423 1.00 0.00 C ATOM 1475 CE2 TYR A 91 -12.650 -20.596 7.397 1.00 0.00 C ATOM 1476 CZ TYR A 91 -13.122 -21.768 6.794 1.00 0.00 C ATOM 1477 OH TYR A 91 -12.261 -22.821 6.565 1.00 0.00 O ATOM 0 H TYR A 91 -14.264 -16.392 6.572 1.00 0.00 H new ATOM 0 HA TYR A 91 -16.256 -18.266 5.411 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -15.451 -17.867 8.334 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -16.796 -18.853 7.795 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -16.381 -20.881 6.369 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.157 -18.624 8.094 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.833 -22.775 5.958 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.612 -20.517 7.683 1.00 0.00 H new ATOM 0 HH TYR A 91 -11.364 -22.585 6.881 1.00 0.00 H new ATOM 1487 N GLN A 92 -18.125 -16.684 5.875 1.00 0.00 N ATOM 1488 CA GLN A 92 -19.168 -15.677 6.017 1.00 0.00 C ATOM 1489 C GLN A 92 -20.401 -16.271 6.690 1.00 0.00 C ATOM 1490 O GLN A 92 -21.207 -16.946 6.049 1.00 0.00 O ATOM 1491 CB GLN A 92 -19.550 -15.138 4.638 1.00 0.00 C ATOM 1492 CG GLN A 92 -18.361 -14.410 4.019 1.00 0.00 C ATOM 1493 CD GLN A 92 -18.749 -13.814 2.663 1.00 0.00 C ATOM 1494 OE1 GLN A 92 -19.897 -13.938 2.235 1.00 0.00 O ATOM 1495 NE2 GLN A 92 -17.854 -13.165 1.963 1.00 0.00 N ATOM 0 H GLN A 92 -18.389 -17.497 5.318 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.787 -14.866 6.638 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -19.863 -15.958 3.991 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -20.398 -14.459 4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -18.022 -13.619 4.688 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -17.527 -15.101 3.895 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.904 -13.063 2.319 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -18.107 -12.761 1.061 1.00 0.00 H new ATOM 1504 N GLU A 93 -20.547 -16.000 7.981 1.00 0.00 N ATOM 1505 CA GLU A 93 -21.691 -16.495 8.739 1.00 0.00 C ATOM 1506 C GLU A 93 -22.986 -15.868 8.230 1.00 0.00 C ATOM 1507 O GLU A 93 -24.020 -16.529 8.148 1.00 0.00 O ATOM 1508 CB GLU A 93 -21.515 -16.181 10.225 1.00 0.00 C ATOM 1509 CG GLU A 93 -20.376 -17.031 10.793 1.00 0.00 C ATOM 1510 CD GLU A 93 -20.149 -16.682 12.260 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -20.830 -15.798 12.752 1.00 0.00 O1- ATOM 1512 OE2 GLU A 93 -19.302 -17.310 12.874 1.00 0.00 O ATOM 0 H GLU A 93 -19.889 -15.441 8.525 1.00 0.00 H new ATOM 0 HA GLU A 93 -21.748 -17.575 8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -21.296 -15.122 10.361 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -22.440 -16.386 10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.617 -18.090 10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.463 -16.858 10.224 1.00 0.00 H new ATOM 1519 N GLN A 94 -22.915 -14.583 7.893 1.00 0.00 N ATOM 1520 CA GLN A 94 -24.080 -13.862 7.398 1.00 0.00 C ATOM 1521 C GLN A 94 -23.681 -12.871 6.311 1.00 0.00 C ATOM 1522 O GLN A 94 -22.539 -12.412 6.262 1.00 0.00 O ATOM 1523 CB GLN A 94 -24.752 -13.122 8.554 1.00 0.00 C ATOM 1524 CG GLN A 94 -23.785 -12.097 9.138 1.00 0.00 C ATOM 1525 CD GLN A 94 -24.421 -11.433 10.347 1.00 0.00 C ATOM 1526 OE1 GLN A 94 -24.778 -10.187 10.273 1.00 0.00 O ATOM 1527 NE2 GLN A 94 -24.614 -12.073 11.381 1.00 0.00 N ATOM 0 H GLN A 94 -22.065 -14.023 7.954 1.00 0.00 H new ATOM 0 HA GLN A 94 -24.778 -14.580 6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -25.657 -12.625 8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -25.056 -13.830 9.325 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -22.853 -12.583 9.425 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -23.536 -11.347 8.387 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -24.332 -13.052 11.435 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -25.056 -11.624 12.183 1.00 0.00 H new ATOM 1536 N THR A 95 -24.632 -12.545 5.443 1.00 0.00 N ATOM 1537 CA THR A 95 -24.378 -11.606 4.359 1.00 0.00 C ATOM 1538 C THR A 95 -24.194 -10.195 4.908 1.00 0.00 C ATOM 1539 O THR A 95 -23.552 -9.354 4.280 1.00 0.00 O ATOM 1540 CB THR A 95 -25.534 -11.626 3.357 1.00 0.00 C ATOM 1541 OG1 THR A 95 -26.738 -11.261 4.018 1.00 0.00 O ATOM 1542 CG2 THR A 95 -25.678 -13.031 2.770 1.00 0.00 C ATOM 0 H THR A 95 -25.582 -12.916 5.469 1.00 0.00 H new ATOM 0 HA THR A 95 -23.462 -11.908 3.851 1.00 0.00 H new ATOM 0 HB THR A 95 -25.331 -10.918 2.553 1.00 0.00 H new ATOM 0 HG1 THR A 95 -27.149 -10.502 3.554 1.00 0.00 H new ATOM 0 HG21 THR A 95 -26.502 -13.044 2.056 1.00 0.00 H new ATOM 0 HG22 THR A 95 -24.754 -13.310 2.263 1.00 0.00 H new ATOM 0 HG23 THR A 95 -25.881 -13.741 3.572 1.00 0.00 H new ATOM 1550 N GLY A 96 -24.769 -9.944 6.079 1.00 0.00 N ATOM 1551 CA GLY A 96 -24.670 -8.628 6.700 1.00 0.00 C ATOM 1552 C GLY A 96 -25.710 -7.668 6.126 1.00 0.00 C ATOM 1553 O GLY A 96 -25.726 -6.485 6.460 1.00 0.00 O ATOM 0 H GLY A 96 -25.304 -10.628 6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -24.811 -8.719 7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -23.671 -8.223 6.542 1.00 0.00 H new ATOM 1557 N GLY A 97 -26.575 -8.184 5.260 1.00 0.00 N ATOM 1558 CA GLY A 97 -27.611 -7.363 4.648 1.00 0.00 C ATOM 1559 C GLY A 97 -28.609 -8.241 3.912 1.00 0.00 C ATOM 1560 O GLY A 97 -28.436 -9.457 3.845 1.00 0.00 O ATOM 0 H GLY A 97 -26.579 -9.161 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -28.123 -6.780 5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -27.160 -6.652 3.955 1.00 0.00 H new ATOM 1564 N HIS A 98 -29.653 -7.620 3.369 1.00 0.00 N ATOM 1565 CA HIS A 98 -30.683 -8.355 2.641 1.00 0.00 C ATOM 1566 C HIS A 98 -31.334 -9.416 3.529 1.00 0.00 C ATOM 1567 O HIS A 98 -32.489 -9.273 3.935 1.00 0.00 O ATOM 1568 CB HIS A 98 -30.087 -9.005 1.386 1.00 0.00 C ATOM 1569 CG HIS A 98 -31.086 -9.962 0.799 1.00 0.00 C ATOM 1570 ND1 HIS A 98 -32.216 -9.530 0.125 1.00 0.00 N ATOM 1571 CD2 HIS A 98 -31.139 -11.336 0.778 1.00 0.00 C ATOM 1572 CE1 HIS A 98 -32.894 -10.623 -0.272 1.00 0.00 C ATOM 1573 NE2 HIS A 98 -32.283 -11.749 0.101 1.00 0.00 N ATOM 0 H HIS A 98 -29.808 -6.613 3.419 1.00 0.00 H new ATOM 0 HA HIS A 98 -31.454 -7.646 2.340 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -29.827 -8.240 0.655 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -29.166 -9.532 1.638 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -30.405 -11.994 1.219 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -33.821 -10.592 -0.826 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -32.589 -12.707 -0.073 1.00 0.00 H new ATOM 1581 N SER A 99 -30.591 -10.474 3.830 1.00 0.00 N ATOM 1582 CA SER A 99 -31.101 -11.545 4.667 1.00 0.00 C ATOM 1583 C SER A 99 -31.289 -11.057 6.098 1.00 0.00 C ATOM 1584 O SER A 99 -30.529 -10.218 6.583 1.00 0.00 O ATOM 1585 CB SER A 99 -30.120 -12.715 4.652 1.00 0.00 C ATOM 1586 OG SER A 99 -30.010 -13.220 3.326 1.00 0.00 O ATOM 0 H SER A 99 -29.634 -10.610 3.505 1.00 0.00 H new ATOM 0 HA SER A 99 -32.066 -11.868 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 99 -29.144 -12.390 5.012 1.00 0.00 H new ATOM 0 HB3 SER A 99 -30.463 -13.501 5.325 1.00 0.00 H new ATOM 0 HG SER A 99 -29.380 -13.970 3.313 1.00 0.00 H new ATOM 1592 N THR A 100 -32.302 -11.588 6.764 1.00 0.00 N ATOM 1593 CA THR A 100 -32.584 -11.205 8.140 1.00 0.00 C ATOM 1594 C THR A 100 -31.467 -11.668 9.069 1.00 0.00 C ATOM 1595 O THR A 100 -31.118 -10.979 10.028 1.00 0.00 O ATOM 1596 CB THR A 100 -33.912 -11.815 8.585 1.00 0.00 C ATOM 1597 OG1 THR A 100 -34.265 -11.298 9.862 1.00 0.00 O ATOM 1598 CG2 THR A 100 -33.783 -13.337 8.672 1.00 0.00 C ATOM 0 H THR A 100 -32.941 -12.283 6.377 1.00 0.00 H new ATOM 0 HA THR A 100 -32.648 -10.118 8.190 1.00 0.00 H new ATOM 0 HB THR A 100 -34.684 -11.561 7.859 1.00 0.00 H new ATOM 0 HG1 THR A 100 -35.118 -11.687 10.148 1.00 0.00 H new ATOM 0 HG21 THR A 100 -34.734 -13.765 8.990 1.00 0.00 H new ATOM 0 HG22 THR A 100 -33.514 -13.736 7.694 1.00 0.00 H new ATOM 0 HG23 THR A 100 -33.009 -13.596 9.394 1.00 0.00 H new ATOM 1606 N VAL A 101 -30.910 -12.842 8.778 1.00 0.00 N ATOM 1607 CA VAL A 101 -29.836 -13.392 9.595 1.00 0.00 C ATOM 1608 C VAL A 101 -28.490 -13.216 8.899 1.00 0.00 C ATOM 1609 O VAL A 101 -29.130 -12.744 7.962 1.00 0.00 O ATOM 1610 CB VAL A 101 -30.089 -14.879 9.853 1.00 0.00 C ATOM 1611 CG1 VAL A 101 -30.081 -15.639 8.526 1.00 0.00 C ATOM 1612 CG2 VAL A 101 -28.987 -15.431 10.762 1.00 0.00 C ATOM 0 H VAL A 101 -31.184 -13.426 7.988 1.00 0.00 H new ATOM 0 HA VAL A 101 -29.814 -12.856 10.544 1.00 0.00 H new ATOM 0 HB VAL A 101 -31.059 -15.004 10.335 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -30.261 -16.698 8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -30.864 -15.246 7.877 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -29.112 -15.516 8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -29.165 -16.490 10.947 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -28.019 -15.305 10.278 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -28.992 -14.891 11.709 1.00 0.00 H new ATOM 1623 N GLY B 201 31.273 -18.251 7.228 1.00 0.00 N ATOM 1624 CA GLY B 201 31.464 -17.759 8.624 1.00 0.00 C ATOM 1625 C GLY B 201 30.295 -16.865 9.032 1.00 0.00 C ATOM 1626 O GLY B 201 29.437 -16.533 8.214 1.00 0.00 O ATOM 0 HA2 GLY B 201 31.541 -18.604 9.308 1.00 0.00 H new ATOM 0 HA3 GLY B 201 32.399 -17.204 8.697 1.00 0.00 H new ATOM 1629 N GLN B 202 30.276 -16.490 10.284 1.00 0.00 N ATOM 1630 CA GLN B 202 29.184 -15.611 10.794 1.00 0.00 C ATOM 1631 C GLN B 202 29.800 -14.473 11.604 1.00 0.00 C ATOM 1632 O GLN B 202 30.701 -14.694 12.413 1.00 0.00 O ATOM 1633 CB GLN B 202 28.227 -16.415 11.682 1.00 0.00 C ATOM 1634 CG GLN B 202 27.083 -15.513 12.155 1.00 0.00 C ATOM 1635 CD GLN B 202 27.331 -15.065 13.588 1.00 0.00 C ATOM 1636 OE1 GLN B 202 28.130 -14.164 13.827 1.00 0.00 O ATOM 1637 NE2 GLN B 202 26.690 -15.648 14.563 1.00 0.00 N ATOM 0 H GLN B 202 30.974 -16.757 10.978 1.00 0.00 H new ATOM 0 HA GLN B 202 28.623 -15.207 9.951 1.00 0.00 H new ATOM 0 HB2 GLN B 202 27.828 -17.265 11.128 1.00 0.00 H new ATOM 0 HB3 GLN B 202 28.764 -16.818 12.540 1.00 0.00 H new ATOM 0 HG2 GLN B 202 27.001 -14.644 11.503 1.00 0.00 H new ATOM 0 HG3 GLN B 202 26.136 -16.049 12.092 1.00 0.00 H new ATOM 0 HE21 GLN B 202 26.027 -16.396 14.362 1.00 0.00 H new ATOM 0 HE22 GLN B 202 26.852 -15.356 15.527 1.00 0.00 H new ATOM 1646 N ASP B 203 29.324 -13.278 11.386 1.00 0.00 N ATOM 1647 CA ASP B 203 29.875 -12.108 12.131 1.00 0.00 C ATOM 1648 C ASP B 203 28.767 -11.086 12.386 1.00 0.00 C ATOM 1649 O ASP B 203 27.584 -11.429 12.423 1.00 0.00 O ATOM 1650 CB ASP B 203 31.030 -11.458 11.371 1.00 0.00 C ATOM 1651 CG ASP B 203 31.891 -10.658 12.347 1.00 0.00 C ATOM 1652 OD1 ASP B 203 32.449 -11.261 13.246 1.00 0.00 O1- ATOM 1653 OD2 ASP B 203 31.972 -9.454 12.183 1.00 0.00 O ATOM 0 H ASP B 203 28.578 -13.060 10.725 1.00 0.00 H new ATOM 0 HA ASP B 203 30.264 -12.464 13.085 1.00 0.00 H new ATOM 0 HB2 ASP B 203 31.632 -12.222 10.879 1.00 0.00 H new ATOM 0 HB3 ASP B 203 30.644 -10.804 10.589 1.00 0.00 H new ATOM 1658 N ARG B 204 29.157 -9.852 12.581 1.00 0.00 N ATOM 1659 CA ARG B 204 28.140 -8.772 12.865 1.00 0.00 C ATOM 1660 C ARG B 204 27.344 -8.476 11.578 1.00 0.00 C ATOM 1661 O ARG B 204 27.296 -9.307 10.673 1.00 0.00 O ATOM 1662 CB ARG B 204 28.820 -7.472 13.378 1.00 0.00 C ATOM 1663 CG ARG B 204 28.136 -6.946 14.670 1.00 0.00 C ATOM 1664 CD ARG B 204 26.719 -6.490 14.363 1.00 0.00 C ATOM 1665 NE ARG B 204 26.714 -5.289 13.477 1.00 0.00 N ATOM 1666 CZ ARG B 204 26.792 -4.088 13.996 1.00 0.00 C ATOM 1667 NH1 ARG B 204 26.893 -3.936 15.290 1.00 0.00 N ATOM 1668 NH2 ARG B 204 26.767 -3.043 13.218 1.00 0.00 N ATOM 0 H ARG B 204 30.127 -9.538 12.558 1.00 0.00 H new ATOM 0 HA ARG B 204 27.468 -9.126 13.647 1.00 0.00 H new ATOM 0 HB2 ARG B 204 29.874 -7.665 13.575 1.00 0.00 H new ATOM 0 HB3 ARG B 204 28.776 -6.706 12.603 1.00 0.00 H new ATOM 0 HG2 ARG B 204 28.118 -7.731 15.426 1.00 0.00 H new ATOM 0 HG3 ARG B 204 28.711 -6.118 15.084 1.00 0.00 H new ATOM 0 HD2 ARG B 204 26.170 -7.300 13.883 1.00 0.00 H new ATOM 0 HD3 ARG B 204 26.199 -6.260 15.293 1.00 0.00 H new ATOM 0 HE ARG B 204 26.650 -5.403 12.465 1.00 0.00 H new ATOM 0 HH11 ARG B 204 26.911 -4.754 15.900 1.00 0.00 H new ATOM 0 HH12 ARG B 204 26.954 -3.000 15.690 1.00 0.00 H new ATOM 0 HH21 ARG B 204 26.687 -3.161 12.208 1.00 0.00 H new ATOM 0 HH22 ARG B 204 26.828 -2.107 13.619 1.00 0.00 H new ATOM 1682 N PHE B 205 26.712 -7.318 11.514 1.00 0.00 N ATOM 1683 CA PHE B 205 25.910 -6.957 10.287 1.00 0.00 C ATOM 1684 C PHE B 205 26.363 -5.603 9.753 1.00 0.00 C ATOM 1685 O PHE B 205 25.667 -4.991 8.947 1.00 0.00 O ATOM 1686 CB PHE B 205 24.416 -6.862 10.610 1.00 0.00 C ATOM 1687 CG PHE B 205 24.222 -5.921 11.771 1.00 0.00 C ATOM 1688 CD1 PHE B 205 24.231 -4.535 11.569 1.00 0.00 C ATOM 1689 CD2 PHE B 205 24.030 -6.433 13.052 1.00 0.00 C ATOM 1690 CE1 PHE B 205 24.057 -3.667 12.650 1.00 0.00 C ATOM 1691 CE2 PHE B 205 23.852 -5.568 14.136 1.00 0.00 C ATOM 1692 CZ PHE B 205 23.868 -4.182 13.935 1.00 0.00 C ATOM 0 H PHE B 205 26.716 -6.613 12.251 1.00 0.00 H new ATOM 0 HA PHE B 205 26.072 -7.740 9.546 1.00 0.00 H new ATOM 0 HB2 PHE B 205 23.865 -6.505 9.740 1.00 0.00 H new ATOM 0 HB3 PHE B 205 24.021 -7.848 10.855 1.00 0.00 H new ATOM 0 HD1 PHE B 205 24.373 -4.136 10.575 1.00 0.00 H new ATOM 0 HD2 PHE B 205 24.019 -7.502 13.208 1.00 0.00 H new ATOM 0 HE1 PHE B 205 24.069 -2.599 12.492 1.00 0.00 H new ATOM 0 HE2 PHE B 205 23.702 -5.968 15.128 1.00 0.00 H new ATOM 0 HZ PHE B 205 23.734 -3.512 14.772 1.00 0.00 H new ATOM 1702 N VAL B 206 27.470 -5.115 10.236 1.00 0.00 N ATOM 1703 CA VAL B 206 27.925 -3.756 9.821 1.00 0.00 C ATOM 1704 C VAL B 206 27.941 -3.631 8.302 1.00 0.00 C ATOM 1705 O VAL B 206 28.954 -3.867 7.645 1.00 0.00 O ATOM 1706 CB VAL B 206 29.338 -3.520 10.356 1.00 0.00 C ATOM 1707 CG1 VAL B 206 29.937 -2.271 9.709 1.00 0.00 C ATOM 1708 CG2 VAL B 206 29.289 -3.324 11.870 1.00 0.00 C ATOM 0 H VAL B 206 28.079 -5.595 10.898 1.00 0.00 H new ATOM 0 HA VAL B 206 27.234 -3.016 10.225 1.00 0.00 H new ATOM 0 HB VAL B 206 29.956 -4.386 10.117 1.00 0.00 H new ATOM 0 HG11 VAL B 206 30.944 -2.109 10.095 1.00 0.00 H new ATOM 0 HG12 VAL B 206 29.980 -2.406 8.628 1.00 0.00 H new ATOM 0 HG13 VAL B 206 29.315 -1.407 9.942 1.00 0.00 H new ATOM 0 HG21 VAL B 206 30.297 -3.156 12.248 1.00 0.00 H new ATOM 0 HG22 VAL B 206 28.665 -2.462 12.105 1.00 0.00 H new ATOM 0 HG23 VAL B 206 28.869 -4.214 12.339 1.00 0.00 H new ATOM 1718 N TYR B 207 26.804 -3.256 7.769 1.00 0.00 N ATOM 1719 CA TYR B 207 26.675 -3.088 6.297 1.00 0.00 C ATOM 1720 C TYR B 207 25.458 -2.224 5.980 1.00 0.00 C ATOM 1721 O TYR B 207 24.805 -1.709 6.880 1.00 0.00 O ATOM 1722 CB TYR B 207 26.519 -4.441 5.633 1.00 0.00 C ATOM 1723 CG TYR B 207 27.874 -5.018 5.304 1.00 0.00 C ATOM 1724 CD1 TYR B 207 28.609 -4.502 4.230 1.00 0.00 C ATOM 1725 CD2 TYR B 207 28.388 -6.080 6.056 1.00 0.00 C ATOM 1726 CE1 TYR B 207 29.857 -5.048 3.908 1.00 0.00 C ATOM 1727 CE2 TYR B 207 29.639 -6.621 5.734 1.00 0.00 C ATOM 1728 CZ TYR B 207 30.369 -6.106 4.660 1.00 0.00 C ATOM 1729 OH TYR B 207 31.597 -6.648 4.340 1.00 0.00 O ATOM 0 H TYR B 207 25.955 -3.059 8.299 1.00 0.00 H new ATOM 0 HA TYR B 207 27.574 -2.602 5.917 1.00 0.00 H new ATOM 0 HB2 TYR B 207 25.978 -5.118 6.293 1.00 0.00 H new ATOM 0 HB3 TYR B 207 25.927 -4.342 4.723 1.00 0.00 H new ATOM 0 HD1 TYR B 207 28.213 -3.682 3.649 1.00 0.00 H new ATOM 0 HD2 TYR B 207 27.821 -6.482 6.883 1.00 0.00 H new ATOM 0 HE1 TYR B 207 30.423 -4.651 3.078 1.00 0.00 H new ATOM 0 HE2 TYR B 207 30.040 -7.437 6.317 1.00 0.00 H new ATOM 0 HH TYR B 207 31.806 -7.375 4.963 1.00 0.00 H new ATOM 1739 N THR B 208 25.166 -2.072 4.706 1.00 0.00 N ATOM 1740 CA THR B 208 23.986 -1.250 4.305 1.00 0.00 C ATOM 1741 C THR B 208 23.239 -1.899 3.138 1.00 0.00 C ATOM 1742 O THR B 208 23.749 -2.807 2.484 1.00 0.00 O ATOM 1743 CB THR B 208 24.401 0.164 3.921 1.00 0.00 C ATOM 1744 OG1 THR B 208 25.083 0.144 2.672 1.00 0.00 O ATOM 1745 CG2 THR B 208 25.324 0.735 5.001 1.00 0.00 C ATOM 0 H THR B 208 25.693 -2.481 3.935 1.00 0.00 H new ATOM 0 HA THR B 208 23.322 -1.197 5.168 1.00 0.00 H new ATOM 0 HB THR B 208 23.512 0.789 3.833 1.00 0.00 H new ATOM 0 HG1 THR B 208 25.346 1.056 2.428 1.00 0.00 H new ATOM 0 HG21 THR B 208 25.622 1.747 4.727 1.00 0.00 H new ATOM 0 HG22 THR B 208 24.797 0.757 5.955 1.00 0.00 H new ATOM 0 HG23 THR B 208 26.211 0.108 5.091 1.00 0.00 H new ATOM 1753 N CYS B 209 22.038 -1.424 2.908 1.00 0.00 N ATOM 1754 CA CYS B 209 21.185 -1.962 1.805 1.00 0.00 C ATOM 1755 C CYS B 209 20.862 -0.855 0.806 1.00 0.00 C ATOM 1756 O CYS B 209 20.404 0.220 1.171 1.00 0.00 O ATOM 1757 CB CYS B 209 19.937 -2.569 2.415 1.00 0.00 C ATOM 1758 SG CYS B 209 18.551 -2.572 1.246 1.00 0.00 S ATOM 0 H CYS B 209 21.607 -0.674 3.448 1.00 0.00 H new ATOM 0 HA CYS B 209 21.712 -2.740 1.253 1.00 0.00 H new ATOM 0 HB2 CYS B 209 20.147 -3.590 2.733 1.00 0.00 H new ATOM 0 HB3 CYS B 209 19.659 -2.009 3.308 1.00 0.00 H new ATOM 0 HG CYS B 209 17.496 -3.065 1.825 1.00 0.00 H new ATOM 1763 N ASN B 210 21.174 -1.127 -0.433 1.00 0.00 N ATOM 1764 CA ASN B 210 20.994 -0.132 -1.523 1.00 0.00 C ATOM 1765 C ASN B 210 19.589 -0.178 -2.106 1.00 0.00 C ATOM 1766 O ASN B 210 19.292 0.538 -3.062 1.00 0.00 O ATOM 1767 CB ASN B 210 22.017 -0.389 -2.631 1.00 0.00 C ATOM 1768 CG ASN B 210 22.178 0.862 -3.487 1.00 0.00 C ATOM 1769 OD1 ASN B 210 22.063 1.979 -2.984 1.00 0.00 O ATOM 1770 ND2 ASN B 210 22.448 0.743 -4.759 1.00 0.00 N ATOM 0 H ASN B 210 21.556 -2.022 -0.740 1.00 0.00 H new ATOM 0 HA ASN B 210 21.146 0.859 -1.095 1.00 0.00 H new ATOM 0 HB2 ASN B 210 22.976 -0.668 -2.195 1.00 0.00 H new ATOM 0 HB3 ASN B 210 21.693 -1.225 -3.251 1.00 0.00 H new ATOM 0 HD21 ASN B 210 22.564 1.576 -5.336 1.00 0.00 H new ATOM 0 HD22 ASN B 210 22.543 -0.183 -5.176 1.00 0.00 H new ATOM 1777 N GLU B 211 18.736 -0.984 -1.551 1.00 0.00 N ATOM 1778 CA GLU B 211 17.350 -1.047 -2.083 1.00 0.00 C ATOM 1779 C GLU B 211 16.462 -0.013 -1.378 1.00 0.00 C ATOM 1780 O GLU B 211 15.606 0.596 -2.021 1.00 0.00 O ATOM 1781 CB GLU B 211 16.780 -2.456 -1.897 1.00 0.00 C ATOM 1782 CG GLU B 211 17.449 -3.457 -2.853 1.00 0.00 C ATOM 1783 CD GLU B 211 17.178 -3.077 -4.307 1.00 0.00 C ATOM 1784 OE1 GLU B 211 16.024 -2.863 -4.637 1.00 0.00 O1- ATOM 1785 OE2 GLU B 211 18.131 -3.014 -5.070 1.00 0.00 O ATOM 0 H GLU B 211 18.933 -1.597 -0.760 1.00 0.00 H new ATOM 0 HA GLU B 211 17.371 -0.816 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU B 211 16.929 -2.778 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU B 211 15.705 -2.443 -2.075 1.00 0.00 H new ATOM 0 HG2 GLU B 211 18.524 -3.478 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU B 211 17.073 -4.461 -2.658 1.00 0.00 H new ATOM 1792 N CYS B 212 16.665 0.193 -0.092 1.00 0.00 N ATOM 1793 CA CYS B 212 15.835 1.202 0.649 1.00 0.00 C ATOM 1794 C CYS B 212 16.737 2.154 1.441 1.00 0.00 C ATOM 1795 O CYS B 212 16.256 3.122 2.033 1.00 0.00 O ATOM 1796 CB CYS B 212 14.847 0.504 1.597 1.00 0.00 C ATOM 1797 SG CYS B 212 15.738 -0.571 2.752 1.00 0.00 S ATOM 0 H CYS B 212 17.364 -0.291 0.471 1.00 0.00 H new ATOM 0 HA CYS B 212 15.266 1.777 -0.082 1.00 0.00 H new ATOM 0 HB2 CYS B 212 14.275 1.249 2.150 1.00 0.00 H new ATOM 0 HB3 CYS B 212 14.132 -0.083 1.021 1.00 0.00 H new ATOM 0 HG CYS B 212 16.678 -1.206 2.117 1.00 0.00 H new ATOM 1802 N LYS B 213 18.015 1.872 1.455 1.00 0.00 N ATOM 1803 CA LYS B 213 18.991 2.741 2.205 1.00 0.00 C ATOM 1804 C LYS B 213 18.669 2.733 3.706 1.00 0.00 C ATOM 1805 O LYS B 213 18.711 3.764 4.379 1.00 0.00 O ATOM 1806 CB LYS B 213 18.992 4.190 1.650 1.00 0.00 C ATOM 1807 CG LYS B 213 20.065 4.365 0.546 1.00 0.00 C ATOM 1808 CD LYS B 213 21.312 5.059 1.124 1.00 0.00 C ATOM 1809 CE LYS B 213 21.978 4.162 2.170 1.00 0.00 C ATOM 1810 NZ LYS B 213 23.217 4.821 2.674 1.00 0.00 N1+ ATOM 0 H LYS B 213 18.433 1.073 0.978 1.00 0.00 H new ATOM 0 HA LYS B 213 19.991 2.330 2.062 1.00 0.00 H new ATOM 0 HB2 LYS B 213 18.008 4.428 1.246 1.00 0.00 H new ATOM 0 HB3 LYS B 213 19.182 4.893 2.461 1.00 0.00 H new ATOM 0 HG2 LYS B 213 20.338 3.393 0.136 1.00 0.00 H new ATOM 0 HG3 LYS B 213 19.659 4.955 -0.276 1.00 0.00 H new ATOM 0 HD2 LYS B 213 22.017 5.282 0.323 1.00 0.00 H new ATOM 0 HD3 LYS B 213 21.031 6.010 1.576 1.00 0.00 H new ATOM 0 HE2 LYS B 213 21.291 3.976 2.995 1.00 0.00 H new ATOM 0 HE3 LYS B 213 22.221 3.194 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 213 23.670 4.212 3.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 213 23.874 4.977 1.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 213 22.973 5.735 3.106 1.00 0.00 H new ATOM 1824 N HIS B 214 18.368 1.570 4.220 1.00 0.00 N ATOM 1825 CA HIS B 214 18.062 1.469 5.687 1.00 0.00 C ATOM 1826 C HIS B 214 18.640 0.177 6.261 1.00 0.00 C ATOM 1827 O HIS B 214 17.914 -0.803 6.433 1.00 0.00 O ATOM 1828 CB HIS B 214 16.546 1.458 5.908 1.00 0.00 C ATOM 1829 CG HIS B 214 16.261 1.738 7.357 1.00 0.00 C ATOM 1830 ND1 HIS B 214 16.619 0.852 8.363 1.00 0.00 N ATOM 1831 CD2 HIS B 214 15.649 2.792 7.985 1.00 0.00 C ATOM 1832 CE1 HIS B 214 16.226 1.388 9.533 1.00 0.00 C ATOM 1833 NE2 HIS B 214 15.629 2.569 9.358 1.00 0.00 N ATOM 0 H HIS B 214 18.320 0.694 3.700 1.00 0.00 H new ATOM 0 HA HIS B 214 18.508 2.329 6.187 1.00 0.00 H new ATOM 0 HB2 HIS B 214 16.068 2.209 5.278 1.00 0.00 H new ATOM 0 HB3 HIS B 214 16.131 0.491 5.623 1.00 0.00 H new ATOM 0 HD1 HIS B 214 17.093 -0.042 8.238 1.00 0.00 H new ATOM 0 HD2 HIS B 214 15.244 3.662 7.490 1.00 0.00 H new ATOM 0 HE1 HIS B 214 16.375 0.920 10.495 1.00 0.00 H new ATOM 1841 N HIS B 215 19.923 0.141 6.517 1.00 0.00 N ATOM 1842 CA HIS B 215 20.512 -1.129 7.019 1.00 0.00 C ATOM 1843 C HIS B 215 19.764 -1.573 8.258 1.00 0.00 C ATOM 1844 O HIS B 215 19.242 -0.759 9.022 1.00 0.00 O ATOM 1845 CB HIS B 215 21.978 -0.943 7.390 1.00 0.00 C ATOM 1846 CG HIS B 215 22.110 -0.731 8.865 1.00 0.00 C ATOM 1847 ND1 HIS B 215 21.819 0.480 9.477 1.00 0.00 N ATOM 1848 CD2 HIS B 215 22.521 -1.572 9.864 1.00 0.00 C ATOM 1849 CE1 HIS B 215 22.057 0.329 10.795 1.00 0.00 C ATOM 1850 NE2 HIS B 215 22.487 -0.903 11.080 1.00 0.00 N ATOM 0 H HIS B 215 20.573 0.919 6.402 1.00 0.00 H new ATOM 0 HA HIS B 215 20.433 -1.875 6.228 1.00 0.00 H new ATOM 0 HB2 HIS B 215 22.552 -1.819 7.087 1.00 0.00 H new ATOM 0 HB3 HIS B 215 22.392 -0.089 6.853 1.00 0.00 H new ATOM 0 HD1 HIS B 215 21.487 1.327 9.015 1.00 0.00 H new ATOM 0 HD2 HIS B 215 22.825 -2.599 9.727 1.00 0.00 H new ATOM 0 HE1 HIS B 215 21.917 1.108 11.530 1.00 0.00 H new ATOM 1858 N VAL B 216 19.711 -2.859 8.430 1.00 0.00 N ATOM 1859 CA VAL B 216 18.988 -3.425 9.616 1.00 0.00 C ATOM 1860 C VAL B 216 19.758 -4.625 10.157 1.00 0.00 C ATOM 1861 O VAL B 216 20.038 -5.544 9.410 1.00 0.00 O ATOM 1862 CB VAL B 216 17.585 -3.886 9.203 1.00 0.00 C ATOM 1863 CG1 VAL B 216 16.886 -2.792 8.398 1.00 0.00 C ATOM 1864 CG2 VAL B 216 17.697 -5.151 8.359 1.00 0.00 C ATOM 0 H VAL B 216 20.133 -3.548 7.808 1.00 0.00 H new ATOM 0 HA VAL B 216 18.910 -2.654 10.382 1.00 0.00 H new ATOM 0 HB VAL B 216 16.999 -4.093 10.099 1.00 0.00 H new ATOM 0 HG11 VAL B 216 15.891 -3.131 8.111 1.00 0.00 H new ATOM 0 HG12 VAL B 216 16.801 -1.891 9.006 1.00 0.00 H new ATOM 0 HG13 VAL B 216 17.467 -2.572 7.502 1.00 0.00 H new ATOM 0 HG21 VAL B 216 16.701 -5.481 8.064 1.00 0.00 H new ATOM 0 HG22 VAL B 216 18.289 -4.943 7.468 1.00 0.00 H new ATOM 0 HG23 VAL B 216 18.181 -5.935 8.941 1.00 0.00 H new ATOM 1874 N GLU B 217 20.066 -4.577 11.434 1.00 0.00 N ATOM 1875 CA GLU B 217 20.823 -5.676 12.153 1.00 0.00 C ATOM 1876 C GLU B 217 20.932 -6.983 11.333 1.00 0.00 C ATOM 1877 O GLU B 217 20.610 -8.060 11.835 1.00 0.00 O ATOM 1878 CB GLU B 217 20.100 -5.963 13.477 1.00 0.00 C ATOM 1879 CG GLU B 217 20.903 -6.951 14.332 1.00 0.00 C ATOM 1880 CD GLU B 217 20.006 -8.112 14.749 1.00 0.00 C ATOM 1881 OE1 GLU B 217 18.874 -7.855 15.121 1.00 0.00 O1- ATOM 1882 OE2 GLU B 217 20.467 -9.240 14.689 1.00 0.00 O ATOM 0 H GLU B 217 19.817 -3.793 12.037 1.00 0.00 H new ATOM 0 HA GLU B 217 21.843 -5.328 12.314 1.00 0.00 H new ATOM 0 HB2 GLU B 217 19.955 -5.033 14.027 1.00 0.00 H new ATOM 0 HB3 GLU B 217 19.110 -6.371 13.275 1.00 0.00 H new ATOM 0 HG2 GLU B 217 21.759 -7.323 13.769 1.00 0.00 H new ATOM 0 HG3 GLU B 217 21.297 -6.447 15.215 1.00 0.00 H new ATOM 1889 N THR B 218 21.357 -6.884 10.100 1.00 0.00 N ATOM 1890 CA THR B 218 21.472 -8.098 9.232 1.00 0.00 C ATOM 1891 C THR B 218 21.841 -7.664 7.806 1.00 0.00 C ATOM 1892 O THR B 218 21.339 -6.643 7.335 1.00 0.00 O ATOM 1893 CB THR B 218 20.126 -8.835 9.225 1.00 0.00 C ATOM 1894 OG1 THR B 218 20.119 -9.802 10.264 1.00 0.00 O ATOM 1895 CG2 THR B 218 19.887 -9.519 7.872 1.00 0.00 C ATOM 0 H THR B 218 21.631 -6.009 9.653 1.00 0.00 H new ATOM 0 HA THR B 218 22.246 -8.763 9.615 1.00 0.00 H new ATOM 0 HB THR B 218 19.326 -8.113 9.387 1.00 0.00 H new ATOM 0 HG1 THR B 218 20.550 -9.429 11.061 1.00 0.00 H new ATOM 0 HG21 THR B 218 18.927 -10.035 7.890 1.00 0.00 H new ATOM 0 HG22 THR B 218 19.881 -8.769 7.081 1.00 0.00 H new ATOM 0 HG23 THR B 218 20.683 -10.239 7.683 1.00 0.00 H new ATOM 1903 N ARG B 219 22.631 -8.443 7.093 1.00 0.00 N ATOM 1904 CA ARG B 219 22.919 -8.056 5.665 1.00 0.00 C ATOM 1905 C ARG B 219 23.282 -9.303 4.862 1.00 0.00 C ATOM 1906 O ARG B 219 24.210 -10.034 5.208 1.00 0.00 O ATOM 1907 CB ARG B 219 24.017 -6.940 5.552 1.00 0.00 C ATOM 1908 CG ARG B 219 24.910 -7.057 4.272 1.00 0.00 C ATOM 1909 CD ARG B 219 24.282 -6.336 3.056 1.00 0.00 C ATOM 1910 NE ARG B 219 24.921 -5.009 2.829 1.00 0.00 N ATOM 1911 CZ ARG B 219 26.032 -4.915 2.148 1.00 0.00 C ATOM 1912 NH1 ARG B 219 26.629 -5.988 1.703 1.00 0.00 N ATOM 1913 NH2 ARG B 219 26.542 -3.737 1.908 1.00 0.00 N ATOM 0 H ARG B 219 23.075 -9.300 7.422 1.00 0.00 H new ATOM 0 HA ARG B 219 22.015 -7.617 5.242 1.00 0.00 H new ATOM 0 HB2 ARG B 219 23.531 -5.964 5.556 1.00 0.00 H new ATOM 0 HB3 ARG B 219 24.656 -6.982 6.434 1.00 0.00 H new ATOM 0 HG2 ARG B 219 25.893 -6.633 4.476 1.00 0.00 H new ATOM 0 HG3 ARG B 219 25.061 -8.109 4.031 1.00 0.00 H new ATOM 0 HD2 ARG B 219 24.394 -6.954 2.165 1.00 0.00 H new ATOM 0 HD3 ARG B 219 23.212 -6.205 3.220 1.00 0.00 H new ATOM 0 HE ARG B 219 24.487 -4.167 3.208 1.00 0.00 H new ATOM 0 HH11 ARG B 219 26.228 -6.908 1.886 1.00 0.00 H new ATOM 0 HH12 ARG B 219 27.496 -5.906 1.172 1.00 0.00 H new ATOM 0 HH21 ARG B 219 26.073 -2.899 2.252 1.00 0.00 H new ATOM 0 HH22 ARG B 219 27.409 -3.655 1.377 1.00 0.00 H new ATOM 1927 N TRP B 220 22.562 -9.505 3.787 1.00 0.00 N ATOM 1928 CA TRP B 220 22.829 -10.674 2.903 1.00 0.00 C ATOM 1929 C TRP B 220 23.359 -10.175 1.558 1.00 0.00 C ATOM 1930 O TRP B 220 22.763 -9.296 0.933 1.00 0.00 O ATOM 1931 CB TRP B 220 21.536 -11.456 2.705 1.00 0.00 C ATOM 1932 CG TRP B 220 21.168 -12.094 3.997 1.00 0.00 C ATOM 1933 CD1 TRP B 220 20.237 -11.625 4.857 1.00 0.00 C ATOM 1934 CD2 TRP B 220 21.717 -13.297 4.592 1.00 0.00 C ATOM 1935 NE1 TRP B 220 20.181 -12.463 5.952 1.00 0.00 N ATOM 1936 CE2 TRP B 220 21.077 -13.521 5.835 1.00 0.00 C ATOM 1937 CE3 TRP B 220 22.700 -14.205 4.169 1.00 0.00 C ATOM 1938 CZ2 TRP B 220 21.415 -14.623 6.635 1.00 0.00 C ATOM 1939 CZ3 TRP B 220 23.039 -15.308 4.966 1.00 0.00 C ATOM 1940 CH2 TRP B 220 22.400 -15.517 6.194 1.00 0.00 C ATOM 0 H TRP B 220 21.796 -8.904 3.484 1.00 0.00 H new ATOM 0 HA TRP B 220 23.573 -11.328 3.358 1.00 0.00 H new ATOM 0 HB2 TRP B 220 20.739 -10.792 2.370 1.00 0.00 H new ATOM 0 HB3 TRP B 220 21.666 -12.213 1.932 1.00 0.00 H new ATOM 0 HD1 TRP B 220 19.636 -10.740 4.711 1.00 0.00 H new ATOM 0 HE1 TRP B 220 19.559 -12.324 6.749 1.00 0.00 H new ATOM 0 HE3 TRP B 220 23.199 -14.053 3.223 1.00 0.00 H new ATOM 0 HZ2 TRP B 220 20.921 -14.781 7.582 1.00 0.00 H new ATOM 0 HZ3 TRP B 220 23.797 -16.000 4.631 1.00 0.00 H new ATOM 0 HH2 TRP B 220 22.667 -16.369 6.802 1.00 0.00 H new ATOM 1951 N HIS B 221 24.474 -10.721 1.138 1.00 0.00 N ATOM 1952 CA HIS B 221 25.088 -10.288 -0.152 1.00 0.00 C ATOM 1953 C HIS B 221 24.921 -11.394 -1.192 1.00 0.00 C ATOM 1954 O HIS B 221 25.544 -12.451 -1.099 1.00 0.00 O ATOM 1955 CB HIS B 221 26.576 -9.986 0.064 1.00 0.00 C ATOM 1956 CG HIS B 221 27.137 -9.308 -1.161 1.00 0.00 C ATOM 1957 ND1 HIS B 221 27.657 -8.023 -1.115 1.00 0.00 N ATOM 1958 CD2 HIS B 221 27.244 -9.704 -2.473 1.00 0.00 C ATOM 1959 CE1 HIS B 221 28.048 -7.698 -2.362 1.00 0.00 C ATOM 1960 NE2 HIS B 221 27.819 -8.684 -3.224 1.00 0.00 N ATOM 0 H HIS B 221 24.985 -11.450 1.636 1.00 0.00 H new ATOM 0 HA HIS B 221 24.592 -9.386 -0.510 1.00 0.00 H new ATOM 0 HB2 HIS B 221 26.705 -9.346 0.937 1.00 0.00 H new ATOM 0 HB3 HIS B 221 27.120 -10.910 0.262 1.00 0.00 H new ATOM 0 HD1 HIS B 221 27.730 -7.432 -0.287 1.00 0.00 H new ATOM 0 HD2 HIS B 221 26.930 -10.661 -2.862 1.00 0.00 H new ATOM 0 HE1 HIS B 221 28.494 -6.751 -2.629 1.00 0.00 H new ATOM 1968 N CYS B 222 24.087 -11.142 -2.168 1.00 0.00 N ATOM 1969 CA CYS B 222 23.838 -12.147 -3.245 1.00 0.00 C ATOM 1970 C CYS B 222 25.051 -12.202 -4.181 1.00 0.00 C ATOM 1971 O CYS B 222 25.519 -11.167 -4.648 1.00 0.00 O ATOM 1972 CB CYS B 222 22.574 -11.732 -4.022 1.00 0.00 C ATOM 1973 SG CYS B 222 22.275 -12.909 -5.356 1.00 0.00 S ATOM 0 H CYS B 222 23.562 -10.273 -2.266 1.00 0.00 H new ATOM 0 HA CYS B 222 23.688 -13.137 -2.815 1.00 0.00 H new ATOM 0 HB2 CYS B 222 21.716 -11.701 -3.351 1.00 0.00 H new ATOM 0 HB3 CYS B 222 22.697 -10.728 -4.429 1.00 0.00 H new ATOM 0 HG CYS B 222 21.983 -12.264 -6.446 1.00 0.00 H new ATOM 1978 N THR B 223 25.560 -13.390 -4.454 1.00 0.00 N ATOM 1979 CA THR B 223 26.747 -13.487 -5.353 1.00 0.00 C ATOM 1980 C THR B 223 26.305 -13.389 -6.808 1.00 0.00 C ATOM 1981 O THR B 223 26.704 -12.461 -7.499 1.00 0.00 O ATOM 1982 CB THR B 223 27.477 -14.813 -5.128 1.00 0.00 C ATOM 1983 OG1 THR B 223 27.659 -15.022 -3.735 1.00 0.00 O ATOM 1984 CG2 THR B 223 28.844 -14.770 -5.816 1.00 0.00 C ATOM 0 H THR B 223 25.206 -14.277 -4.096 1.00 0.00 H new ATOM 0 HA THR B 223 27.425 -12.665 -5.124 1.00 0.00 H new ATOM 0 HB THR B 223 26.885 -15.627 -5.546 1.00 0.00 H new ATOM 0 HG1 THR B 223 28.125 -15.872 -3.590 1.00 0.00 H new ATOM 0 HG21 THR B 223 29.362 -15.715 -5.655 1.00 0.00 H new ATOM 0 HG22 THR B 223 28.708 -14.609 -6.885 1.00 0.00 H new ATOM 0 HG23 THR B 223 29.436 -13.956 -5.398 1.00 0.00 H new ATOM 1992 N VAL B 224 25.575 -14.372 -7.281 1.00 0.00 N ATOM 1993 CA VAL B 224 25.162 -14.399 -8.721 1.00 0.00 C ATOM 1994 C VAL B 224 24.983 -12.976 -9.276 1.00 0.00 C ATOM 1995 O VAL B 224 25.474 -12.664 -10.362 1.00 0.00 O ATOM 1996 CB VAL B 224 23.847 -15.214 -8.877 1.00 0.00 C ATOM 1997 CG1 VAL B 224 24.094 -16.720 -8.762 1.00 0.00 C ATOM 1998 CG2 VAL B 224 22.848 -14.777 -7.801 1.00 0.00 C ATOM 0 H VAL B 224 25.245 -15.162 -6.727 1.00 0.00 H new ATOM 0 HA VAL B 224 25.952 -14.881 -9.296 1.00 0.00 H new ATOM 0 HB VAL B 224 23.445 -15.016 -9.871 1.00 0.00 H new ATOM 0 HG11 VAL B 224 23.150 -17.253 -8.877 1.00 0.00 H new ATOM 0 HG12 VAL B 224 24.786 -17.036 -9.542 1.00 0.00 H new ATOM 0 HG13 VAL B 224 24.522 -16.945 -7.785 1.00 0.00 H new ATOM 0 HG21 VAL B 224 21.925 -15.347 -7.908 1.00 0.00 H new ATOM 0 HG22 VAL B 224 23.274 -14.958 -6.814 1.00 0.00 H new ATOM 0 HG23 VAL B 224 22.633 -13.714 -7.914 1.00 0.00 H new ATOM 2008 N CYS B 225 24.268 -12.143 -8.566 1.00 0.00 N ATOM 2009 CA CYS B 225 24.011 -10.751 -9.067 1.00 0.00 C ATOM 2010 C CYS B 225 25.194 -9.827 -8.752 1.00 0.00 C ATOM 2011 O CYS B 225 25.368 -8.793 -9.395 1.00 0.00 O ATOM 2012 CB CYS B 225 22.819 -10.306 -8.451 1.00 0.00 C ATOM 2013 SG CYS B 225 21.401 -11.411 -8.691 1.00 0.00 S ATOM 0 H CYS B 225 23.850 -12.362 -7.662 1.00 0.00 H new ATOM 0 HA CYS B 225 23.901 -10.740 -10.151 1.00 0.00 H new ATOM 0 HB2 CYS B 225 22.997 -10.189 -7.382 1.00 0.00 H new ATOM 0 HB3 CYS B 225 22.567 -9.320 -8.842 1.00 0.00 H new ATOM 0 HG CYS B 225 20.630 -11.361 -7.646 1.00 0.00 H new ATOM 2018 N GLU B 226 26.005 -10.236 -7.817 1.00 0.00 N ATOM 2019 CA GLU B 226 27.231 -9.457 -7.435 1.00 0.00 C ATOM 2020 C GLU B 226 26.905 -7.988 -7.134 1.00 0.00 C ATOM 2021 O GLU B 226 25.981 -7.403 -7.694 1.00 0.00 O ATOM 2022 CB GLU B 226 28.263 -9.532 -8.568 1.00 0.00 C ATOM 2023 CG GLU B 226 28.775 -10.969 -8.723 1.00 0.00 C ATOM 2024 CD GLU B 226 29.846 -11.025 -9.807 1.00 0.00 C ATOM 2025 OE1 GLU B 226 30.144 -9.984 -10.368 1.00 0.00 O ATOM 2026 OE2 GLU B 226 30.355 -12.106 -10.056 1.00 0.00 O1- ATOM 0 H GLU B 226 25.872 -11.097 -7.286 1.00 0.00 H new ATOM 0 HA GLU B 226 27.637 -9.902 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU B 226 27.813 -9.196 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU B 226 29.096 -8.862 -8.356 1.00 0.00 H new ATOM 0 HG2 GLU B 226 29.184 -11.322 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU B 226 27.950 -11.633 -8.981 1.00 0.00 H new ATOM 2033 N ASP B 227 27.687 -7.417 -6.255 1.00 0.00 N ATOM 2034 CA ASP B 227 27.488 -5.985 -5.882 1.00 0.00 C ATOM 2035 C ASP B 227 26.026 -5.753 -5.568 1.00 0.00 C ATOM 2036 O ASP B 227 25.519 -4.637 -5.707 1.00 0.00 O ATOM 2037 CB ASP B 227 27.900 -5.064 -7.032 1.00 0.00 C ATOM 2038 CG ASP B 227 29.417 -5.059 -7.174 1.00 0.00 C ATOM 2039 OD1 ASP B 227 30.082 -5.516 -6.253 1.00 0.00 O ATOM 2040 OD2 ASP B 227 29.897 -4.605 -8.198 1.00 0.00 O1- ATOM 0 H ASP B 227 28.458 -7.883 -5.777 1.00 0.00 H new ATOM 0 HA ASP B 227 28.106 -5.762 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP B 227 27.440 -5.400 -7.961 1.00 0.00 H new ATOM 0 HB3 ASP B 227 27.540 -4.052 -6.846 1.00 0.00 H new ATOM 2045 N TYR B 228 25.367 -6.791 -5.147 1.00 0.00 N ATOM 2046 CA TYR B 228 23.924 -6.666 -4.809 1.00 0.00 C ATOM 2047 C TYR B 228 23.787 -6.919 -3.314 1.00 0.00 C ATOM 2048 O TYR B 228 24.186 -7.976 -2.824 1.00 0.00 O ATOM 2049 CB TYR B 228 23.129 -7.693 -5.615 1.00 0.00 C ATOM 2050 CG TYR B 228 21.691 -7.258 -5.735 1.00 0.00 C ATOM 2051 CD1 TYR B 228 21.368 -6.144 -6.518 1.00 0.00 C ATOM 2052 CD2 TYR B 228 20.681 -7.973 -5.083 1.00 0.00 C ATOM 2053 CE1 TYR B 228 20.035 -5.740 -6.647 1.00 0.00 C ATOM 2054 CE2 TYR B 228 19.346 -7.570 -5.212 1.00 0.00 C ATOM 2055 CZ TYR B 228 19.024 -6.454 -5.994 1.00 0.00 C ATOM 2056 OH TYR B 228 17.708 -6.061 -6.124 1.00 0.00 O ATOM 0 H TYR B 228 25.764 -7.722 -5.022 1.00 0.00 H new ATOM 0 HA TYR B 228 23.538 -5.676 -5.053 1.00 0.00 H new ATOM 0 HB2 TYR B 228 23.567 -7.806 -6.607 1.00 0.00 H new ATOM 0 HB3 TYR B 228 23.183 -8.668 -5.130 1.00 0.00 H new ATOM 0 HD1 TYR B 228 22.149 -5.595 -7.023 1.00 0.00 H new ATOM 0 HD2 TYR B 228 20.930 -8.834 -4.481 1.00 0.00 H new ATOM 0 HE1 TYR B 228 19.787 -4.879 -7.249 1.00 0.00 H new ATOM 0 HE2 TYR B 228 18.565 -8.120 -4.708 1.00 0.00 H new ATOM 0 HH TYR B 228 17.134 -6.664 -5.608 1.00 0.00 H new ATOM 2066 N ASP B 229 23.250 -5.956 -2.606 1.00 0.00 N ATOM 2067 CA ASP B 229 23.096 -6.123 -1.115 1.00 0.00 C ATOM 2068 C ASP B 229 21.633 -5.937 -0.721 1.00 0.00 C ATOM 2069 O ASP B 229 20.944 -5.061 -1.239 1.00 0.00 O ATOM 2070 CB ASP B 229 24.026 -5.162 -0.332 1.00 0.00 C ATOM 2071 CG ASP B 229 25.476 -5.477 -0.656 1.00 0.00 C ATOM 2072 OD1 ASP B 229 25.832 -6.633 -0.579 1.00 0.00 O ATOM 2073 OD2 ASP B 229 26.207 -4.553 -0.983 1.00 0.00 O1- ATOM 0 H ASP B 229 22.914 -5.070 -2.984 1.00 0.00 H new ATOM 0 HA ASP B 229 23.400 -7.135 -0.848 1.00 0.00 H new ATOM 0 HB2 ASP B 229 23.801 -4.128 -0.594 1.00 0.00 H new ATOM 0 HB3 ASP B 229 23.852 -5.264 0.739 1.00 0.00 H new ATOM 2078 N LEU B 230 21.168 -6.792 0.163 1.00 0.00 N ATOM 2079 CA LEU B 230 19.737 -6.739 0.598 1.00 0.00 C ATOM 2080 C LEU B 230 19.612 -6.760 2.137 1.00 0.00 C ATOM 2081 O LEU B 230 20.408 -7.392 2.827 1.00 0.00 O ATOM 2082 CB LEU B 230 19.003 -7.948 -0.001 1.00 0.00 C ATOM 2083 CG LEU B 230 19.016 -7.864 -1.533 1.00 0.00 C ATOM 2084 CD1 LEU B 230 18.429 -9.150 -2.126 1.00 0.00 C ATOM 2085 CD2 LEU B 230 18.180 -6.670 -2.000 1.00 0.00 C ATOM 0 H LEU B 230 21.723 -7.527 0.602 1.00 0.00 H new ATOM 0 HA LEU B 230 19.294 -5.807 0.246 1.00 0.00 H new ATOM 0 HB2 LEU B 230 19.481 -8.872 0.325 1.00 0.00 H new ATOM 0 HB3 LEU B 230 17.975 -7.976 0.361 1.00 0.00 H new ATOM 0 HG LEU B 230 20.045 -7.739 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU B 230 18.440 -9.087 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU B 230 19.026 -10.004 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU B 230 17.403 -9.275 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU B 230 18.195 -6.619 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU B 230 17.152 -6.789 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU B 230 18.596 -5.751 -1.588 1.00 0.00 H new ATOM 2097 N CYS B 231 18.587 -6.092 2.639 1.00 0.00 N ATOM 2098 CA CYS B 231 18.329 -6.065 4.128 1.00 0.00 C ATOM 2099 C CYS B 231 17.191 -7.042 4.452 1.00 0.00 C ATOM 2100 O CYS B 231 16.706 -7.749 3.569 1.00 0.00 O ATOM 2101 CB CYS B 231 17.814 -4.135 5.005 1.00 0.00 C ATOM 2102 SG CYS B 231 16.396 -4.110 3.883 1.00 0.00 S ATOM 0 H CYS B 231 17.917 -5.563 2.080 1.00 0.00 H new ATOM 0 HA CYS B 231 19.287 -6.338 4.570 1.00 0.00 H new ATOM 0 HB2 CYS B 231 17.572 -4.151 6.068 1.00 0.00 H new ATOM 0 HB3 CYS B 231 18.545 -3.341 4.856 1.00 0.00 H new ATOM 0 HG CYS B 231 16.170 -2.890 3.496 1.00 0.00 H new ATOM 2107 N ILE B 232 16.795 -7.089 5.702 1.00 0.00 N ATOM 2108 CA ILE B 232 15.702 -8.024 6.130 1.00 0.00 C ATOM 2109 C ILE B 232 14.357 -7.600 5.498 1.00 0.00 C ATOM 2110 O ILE B 232 13.463 -8.417 5.294 1.00 0.00 O ATOM 2111 CB ILE B 232 15.591 -8.010 7.665 1.00 0.00 C ATOM 2112 CG1 ILE B 232 14.966 -9.319 8.163 1.00 0.00 C ATOM 2113 CG2 ILE B 232 14.748 -6.815 8.136 1.00 0.00 C ATOM 2114 CD1 ILE B 232 15.850 -10.526 7.819 1.00 0.00 C ATOM 0 H ILE B 232 17.184 -6.516 6.451 1.00 0.00 H new ATOM 0 HA ILE B 232 15.940 -9.033 5.793 1.00 0.00 H new ATOM 0 HB ILE B 232 16.594 -7.914 8.080 1.00 0.00 H new ATOM 0 HG12 ILE B 232 14.821 -9.268 9.242 1.00 0.00 H new ATOM 0 HG13 ILE B 232 13.981 -9.448 7.715 1.00 0.00 H new ATOM 0 HG21 ILE B 232 14.681 -6.823 9.224 1.00 0.00 H new ATOM 0 HG22 ILE B 232 15.217 -5.887 7.808 1.00 0.00 H new ATOM 0 HG23 ILE B 232 13.747 -6.886 7.711 1.00 0.00 H new ATOM 0 HD11 ILE B 232 15.379 -11.438 8.186 1.00 0.00 H new ATOM 0 HD12 ILE B 232 15.973 -10.590 6.738 1.00 0.00 H new ATOM 0 HD13 ILE B 232 16.826 -10.408 8.289 1.00 0.00 H new ATOM 2126 N ASN B 233 14.236 -6.334 5.202 1.00 0.00 N ATOM 2127 CA ASN B 233 12.966 -5.815 4.592 1.00 0.00 C ATOM 2128 C ASN B 233 12.870 -6.160 3.101 1.00 0.00 C ATOM 2129 O ASN B 233 11.901 -6.783 2.663 1.00 0.00 O ATOM 2130 CB ASN B 233 12.885 -4.292 4.765 1.00 0.00 C ATOM 2131 CG ASN B 233 12.550 -3.936 6.215 1.00 0.00 C ATOM 2132 OD1 ASN B 233 11.958 -4.810 6.982 1.00 0.00 O ATOM 2133 ND2 ASN B 233 12.840 -2.826 6.658 1.00 0.00 N ATOM 0 H ASN B 233 14.960 -5.632 5.354 1.00 0.00 H new ATOM 0 HA ASN B 233 12.134 -6.295 5.108 1.00 0.00 H new ATOM 0 HB2 ASN B 233 13.834 -3.837 4.482 1.00 0.00 H new ATOM 0 HB3 ASN B 233 12.125 -3.884 4.099 1.00 0.00 H new ATOM 0 HD21 ASN B 233 12.618 -2.589 7.625 1.00 0.00 H new ATOM 0 HD22 ASN B 233 13.303 -2.143 6.059 1.00 0.00 H new ATOM 2140 N CYS B 234 13.821 -5.709 2.336 1.00 0.00 N ATOM 2141 CA CYS B 234 13.770 -5.938 0.859 1.00 0.00 C ATOM 2142 C CYS B 234 13.789 -7.445 0.576 1.00 0.00 C ATOM 2143 O CYS B 234 13.062 -7.939 -0.283 1.00 0.00 O ATOM 2144 CB CYS B 234 14.783 -5.298 0.422 1.00 0.00 C ATOM 2145 SG CYS B 234 14.939 -3.506 0.521 1.00 0.00 S ATOM 0 H CYS B 234 14.635 -5.190 2.666 1.00 0.00 H new ATOM 0 HA CYS B 234 12.865 -5.585 0.364 1.00 0.00 H new ATOM 0 HB2 CYS B 234 15.652 -5.711 0.933 1.00 0.00 H new ATOM 0 HB3 CYS B 234 14.880 -5.558 -0.632 1.00 0.00 H new ATOM 0 HG CYS B 234 15.484 -3.180 1.655 1.00 0.00 H new ATOM 2150 N TYR B 235 14.615 -8.144 1.298 1.00 0.00 N ATOM 2151 CA TYR B 235 14.727 -9.622 1.119 1.00 0.00 C ATOM 2152 C TYR B 235 13.384 -10.307 1.366 1.00 0.00 C ATOM 2153 O TYR B 235 12.952 -11.144 0.573 1.00 0.00 O ATOM 2154 CB TYR B 235 15.774 -10.183 2.083 1.00 0.00 C ATOM 2155 CG TYR B 235 15.680 -11.688 2.100 1.00 0.00 C ATOM 2156 CD1 TYR B 235 16.121 -12.422 0.992 1.00 0.00 C ATOM 2157 CD2 TYR B 235 15.151 -12.355 3.213 1.00 0.00 C ATOM 2158 CE1 TYR B 235 16.036 -13.816 0.997 1.00 0.00 C ATOM 2159 CE2 TYR B 235 15.064 -13.752 3.217 1.00 0.00 C ATOM 2160 CZ TYR B 235 15.507 -14.483 2.106 1.00 0.00 C ATOM 2161 OH TYR B 235 15.423 -15.859 2.110 1.00 0.00 O ATOM 0 H TYR B 235 15.226 -7.753 2.014 1.00 0.00 H new ATOM 0 HA TYR B 235 15.031 -9.819 0.091 1.00 0.00 H new ATOM 0 HB2 TYR B 235 16.772 -9.873 1.774 1.00 0.00 H new ATOM 0 HB3 TYR B 235 15.612 -9.786 3.085 1.00 0.00 H new ATOM 0 HD1 TYR B 235 16.527 -11.909 0.133 1.00 0.00 H new ATOM 0 HD2 TYR B 235 14.810 -11.791 4.068 1.00 0.00 H new ATOM 0 HE1 TYR B 235 16.380 -14.380 0.142 1.00 0.00 H new ATOM 0 HE2 TYR B 235 14.656 -14.266 4.075 1.00 0.00 H new ATOM 0 HH TYR B 235 15.033 -16.160 2.957 1.00 0.00 H new ATOM 2171 N ASN B 236 12.739 -9.958 2.440 1.00 0.00 N ATOM 2172 CA ASN B 236 11.420 -10.575 2.762 1.00 0.00 C ATOM 2173 C ASN B 236 10.360 -10.149 1.743 1.00 0.00 C ATOM 2174 O ASN B 236 9.524 -10.953 1.330 1.00 0.00 O ATOM 2175 CB ASN B 236 10.980 -10.160 4.172 1.00 0.00 C ATOM 2176 CG ASN B 236 11.758 -10.946 5.226 1.00 0.00 C ATOM 2177 OD1 ASN B 236 12.171 -12.160 4.958 1.00 0.00 O ATOM 2178 ND2 ASN B 236 11.985 -10.447 6.328 1.00 0.00 N ATOM 0 H ASN B 236 13.068 -9.268 3.115 1.00 0.00 H new ATOM 0 HA ASN B 236 11.527 -11.659 2.720 1.00 0.00 H new ATOM 0 HB2 ASN B 236 11.144 -9.092 4.311 1.00 0.00 H new ATOM 0 HB3 ASN B 236 9.911 -10.337 4.293 1.00 0.00 H new ATOM 0 HD21 ASN B 236 12.495 -10.979 7.033 1.00 0.00 H new ATOM 0 HD22 ASN B 236 11.663 -9.502 6.536 1.00 0.00 H new ATOM 2185 N THR B 237 10.380 -8.897 1.377 1.00 0.00 N ATOM 2186 CA THR B 237 9.359 -8.384 0.416 1.00 0.00 C ATOM 2187 C THR B 237 9.668 -8.828 -1.015 1.00 0.00 C ATOM 2188 O THR B 237 8.799 -9.362 -1.705 1.00 0.00 O ATOM 2189 CB THR B 237 9.319 -6.852 0.471 1.00 0.00 C ATOM 2190 OG1 THR B 237 10.624 -6.344 0.238 1.00 0.00 O ATOM 2191 CG2 THR B 237 8.830 -6.392 1.847 1.00 0.00 C ATOM 0 H THR B 237 11.058 -8.207 1.700 1.00 0.00 H new ATOM 0 HA THR B 237 8.391 -8.795 0.704 1.00 0.00 H new ATOM 0 HB THR B 237 8.635 -6.480 -0.292 1.00 0.00 H new ATOM 0 HG1 THR B 237 11.131 -6.348 1.077 1.00 0.00 H new ATOM 0 HG21 THR B 237 8.804 -5.303 1.879 1.00 0.00 H new ATOM 0 HG22 THR B 237 7.829 -6.784 2.027 1.00 0.00 H new ATOM 0 HG23 THR B 237 9.508 -6.761 2.616 1.00 0.00 H new ATOM 2199 N LYS B 238 10.874 -8.599 -1.454 1.00 0.00 N ATOM 2200 CA LYS B 238 11.245 -8.994 -2.858 1.00 0.00 C ATOM 2201 C LYS B 238 11.274 -10.517 -2.996 1.00 0.00 C ATOM 2202 O LYS B 238 10.829 -11.055 -4.008 1.00 0.00 O ATOM 2203 CB LYS B 238 12.614 -8.427 -3.242 1.00 0.00 C ATOM 2204 CG LYS B 238 12.504 -6.908 -3.443 1.00 0.00 C ATOM 2205 CD LYS B 238 13.853 -6.315 -3.877 1.00 0.00 C ATOM 2206 CE LYS B 238 13.715 -4.823 -4.200 1.00 0.00 C ATOM 2207 NZ LYS B 238 13.777 -4.027 -2.946 1.00 0.00 N1+ ATOM 0 H LYS B 238 11.619 -8.160 -0.913 1.00 0.00 H new ATOM 0 HA LYS B 238 10.490 -8.583 -3.528 1.00 0.00 H new ATOM 0 HB2 LYS B 238 13.343 -8.649 -2.462 1.00 0.00 H new ATOM 0 HB3 LYS B 238 12.971 -8.900 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS B 238 11.747 -6.690 -4.196 1.00 0.00 H new ATOM 0 HG3 LYS B 238 12.176 -6.437 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS B 238 14.588 -6.453 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS B 238 14.225 -6.848 -4.752 1.00 0.00 H new ATOM 0 HE2 LYS B 238 14.511 -4.513 -4.877 1.00 0.00 H new ATOM 0 HE3 LYS B 238 12.771 -4.638 -4.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 238 13.819 -3.014 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS B 238 12.930 -4.215 -2.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 238 14.625 -4.294 -2.407 1.00 0.00 H new ATOM 2221 N SER B 239 11.809 -11.196 -2.007 1.00 0.00 N ATOM 2222 CA SER B 239 11.896 -12.686 -2.085 1.00 0.00 C ATOM 2223 C SER B 239 13.078 -13.074 -2.980 1.00 0.00 C ATOM 2224 O SER B 239 12.962 -13.944 -3.844 1.00 0.00 O ATOM 2225 CB SER B 239 10.595 -13.266 -2.647 1.00 0.00 C ATOM 2226 OG SER B 239 9.527 -12.354 -2.422 1.00 0.00 O ATOM 0 H SER B 239 12.187 -10.783 -1.154 1.00 0.00 H new ATOM 0 HA SER B 239 12.048 -13.092 -1.085 1.00 0.00 H new ATOM 0 HB2 SER B 239 10.703 -13.459 -3.714 1.00 0.00 H new ATOM 0 HB3 SER B 239 10.376 -14.222 -2.171 1.00 0.00 H new ATOM 0 HG SER B 239 9.414 -11.782 -3.210 1.00 0.00 H new ATOM 2232 N HIS B 240 14.191 -12.421 -2.779 1.00 0.00 N ATOM 2233 CA HIS B 240 15.406 -12.700 -3.610 1.00 0.00 C ATOM 2234 C HIS B 240 16.259 -13.765 -2.923 1.00 0.00 C ATOM 2235 O HIS B 240 16.987 -13.455 -1.980 1.00 0.00 O ATOM 2236 CB HIS B 240 16.449 -11.252 -3.472 1.00 0.00 C ATOM 2237 CG HIS B 240 17.352 -11.416 -4.661 1.00 0.00 C ATOM 2238 ND1 HIS B 240 16.892 -11.228 -5.960 1.00 0.00 N ATOM 2239 CD2 HIS B 240 18.703 -11.646 -4.770 1.00 0.00 C ATOM 2240 CE1 HIS B 240 17.949 -11.326 -6.784 1.00 0.00 C ATOM 2241 NE2 HIS B 240 19.069 -11.569 -6.105 1.00 0.00 N ATOM 0 H HIS B 240 14.315 -11.699 -2.069 1.00 0.00 H new ATOM 0 HA HIS B 240 15.098 -12.978 -4.618 1.00 0.00 H new ATOM 0 HB2 HIS B 240 15.874 -10.327 -3.518 1.00 0.00 H new ATOM 0 HB3 HIS B 240 17.005 -11.235 -2.535 1.00 0.00 H new ATOM 0 HD1 HIS B 240 15.927 -11.048 -6.237 1.00 0.00 H new ATOM 0 HD2 HIS B 240 19.372 -11.853 -3.948 1.00 0.00 H new ATOM 0 HE1 HIS B 240 17.897 -11.221 -7.858 1.00 0.00 H new ATOM 2249 N ALA B 241 16.174 -14.998 -3.358 1.00 0.00 N ATOM 2250 CA ALA B 241 16.988 -16.052 -2.675 1.00 0.00 C ATOM 2251 C ALA B 241 18.451 -15.973 -3.127 1.00 0.00 C ATOM 2252 O ALA B 241 19.211 -15.179 -2.578 1.00 0.00 O ATOM 2253 CB ALA B 241 16.417 -17.433 -3.015 1.00 0.00 C ATOM 0 H ALA B 241 15.594 -15.315 -4.134 1.00 0.00 H new ATOM 0 HA ALA B 241 16.946 -15.891 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA B 241 17.008 -18.203 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA B 241 15.383 -17.493 -2.675 1.00 0.00 H new ATOM 0 HB3 ALA B 241 16.453 -17.586 -4.094 1.00 0.00 H new ATOM 2259 N HIS B 242 18.841 -16.786 -4.089 1.00 0.00 N ATOM 2260 CA HIS B 242 20.253 -16.804 -4.562 1.00 0.00 C ATOM 2261 C HIS B 242 21.173 -17.059 -3.362 1.00 0.00 C ATOM 2262 O HIS B 242 21.169 -16.313 -2.398 1.00 0.00 O ATOM 2263 CB HIS B 242 20.639 -15.509 -5.288 1.00 0.00 C ATOM 2264 CG HIS B 242 19.810 -15.417 -6.548 1.00 0.00 C ATOM 2265 ND1 HIS B 242 19.949 -14.386 -7.457 1.00 0.00 N ATOM 2266 CD2 HIS B 242 18.801 -16.209 -7.047 1.00 0.00 C ATOM 2267 CE1 HIS B 242 19.054 -14.559 -8.442 1.00 0.00 C ATOM 2268 NE2 HIS B 242 18.326 -15.661 -8.241 1.00 0.00 N ATOM 0 H HIS B 242 18.225 -17.444 -4.567 1.00 0.00 H new ATOM 0 HA HIS B 242 20.365 -17.606 -5.291 1.00 0.00 H new ATOM 0 HB2 HIS B 242 20.458 -14.645 -4.649 1.00 0.00 H new ATOM 0 HB3 HIS B 242 21.702 -15.510 -5.530 1.00 0.00 H new ATOM 0 HD1 HIS B 242 20.620 -13.621 -7.391 1.00 0.00 H new ATOM 0 HD2 HIS B 242 18.433 -17.114 -6.587 1.00 0.00 H new ATOM 0 HE1 HIS B 242 18.938 -13.895 -9.286 1.00 0.00 H new ATOM 2276 N LYS B 243 21.911 -18.138 -3.399 1.00 0.00 N ATOM 2277 CA LYS B 243 22.796 -18.481 -2.238 1.00 0.00 C ATOM 2278 C LYS B 243 23.561 -17.253 -1.751 1.00 0.00 C ATOM 2279 O LYS B 243 24.628 -16.918 -2.268 1.00 0.00 O ATOM 2280 CB LYS B 243 23.791 -19.568 -2.648 1.00 0.00 C ATOM 2281 CG LYS B 243 24.605 -20.027 -1.432 1.00 0.00 C ATOM 2282 CD LYS B 243 25.558 -21.159 -1.838 1.00 0.00 C ATOM 2283 CE LYS B 243 26.383 -21.631 -0.631 1.00 0.00 C ATOM 2284 NZ LYS B 243 25.492 -22.232 0.401 1.00 0.00 N1+ ATOM 0 H LYS B 243 21.942 -18.796 -4.178 1.00 0.00 H new ATOM 0 HA LYS B 243 22.166 -18.843 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS B 243 23.258 -20.416 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS B 243 24.460 -19.187 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS B 243 25.173 -19.190 -1.027 1.00 0.00 H new ATOM 0 HG3 LYS B 243 23.935 -20.369 -0.643 1.00 0.00 H new ATOM 0 HD2 LYS B 243 24.987 -21.994 -2.244 1.00 0.00 H new ATOM 0 HD3 LYS B 243 26.225 -20.814 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS B 243 27.124 -22.363 -0.952 1.00 0.00 H new ATOM 0 HE3 LYS B 243 26.930 -20.790 -0.204 1.00 0.00 H new ATOM 0 HZ1 LYS B 243 26.064 -22.769 1.084 1.00 0.00 H new ATOM 0 HZ2 LYS B 243 24.978 -21.477 0.898 1.00 0.00 H new ATOM 0 HZ3 LYS B 243 24.811 -22.871 -0.058 1.00 0.00 H new ATOM 2298 N MET B 244 23.005 -16.596 -0.770 1.00 0.00 N ATOM 2299 CA MET B 244 23.658 -15.375 -0.216 1.00 0.00 C ATOM 2300 C MET B 244 24.602 -15.754 0.911 1.00 0.00 C ATOM 2301 O MET B 244 24.385 -16.739 1.616 1.00 0.00 O ATOM 2302 CB MET B 244 22.618 -14.391 0.307 1.00 0.00 C ATOM 2303 CG MET B 244 21.486 -14.311 -0.697 1.00 0.00 C ATOM 2304 SD MET B 244 20.515 -12.814 -0.398 1.00 0.00 S ATOM 2305 CE MET B 244 19.495 -13.464 0.946 1.00 0.00 C ATOM 0 H MET B 244 22.123 -16.853 -0.326 1.00 0.00 H new ATOM 0 HA MET B 244 24.219 -14.899 -1.020 1.00 0.00 H new ATOM 0 HB2 MET B 244 22.242 -14.717 1.277 1.00 0.00 H new ATOM 0 HB3 MET B 244 23.066 -13.408 0.452 1.00 0.00 H new ATOM 0 HG2 MET B 244 21.886 -14.301 -1.711 1.00 0.00 H new ATOM 0 HG3 MET B 244 20.850 -15.192 -0.614 1.00 0.00 H new ATOM 0 HE1 MET B 244 18.924 -12.651 1.395 1.00 0.00 H new ATOM 0 HE2 MET B 244 18.810 -14.215 0.552 1.00 0.00 H new ATOM 0 HE3 MET B 244 20.136 -13.918 1.702 1.00 0.00 H new ATOM 2315 N VAL B 245 25.620 -14.953 1.084 1.00 0.00 N ATOM 2316 CA VAL B 245 26.600 -15.206 2.178 1.00 0.00 C ATOM 2317 C VAL B 245 26.534 -14.035 3.163 1.00 0.00 C ATOM 2318 O VAL B 245 26.761 -12.885 2.785 1.00 0.00 O ATOM 2319 CB VAL B 245 28.011 -15.345 1.584 1.00 0.00 C ATOM 2320 CG1 VAL B 245 28.217 -16.781 1.100 1.00 0.00 C ATOM 2321 CG2 VAL B 245 28.172 -14.394 0.392 1.00 0.00 C ATOM 0 H VAL B 245 25.815 -14.131 0.512 1.00 0.00 H new ATOM 0 HA VAL B 245 26.362 -16.132 2.702 1.00 0.00 H new ATOM 0 HB VAL B 245 28.746 -15.098 2.350 1.00 0.00 H new ATOM 0 HG11 VAL B 245 29.217 -16.883 0.678 1.00 0.00 H new ATOM 0 HG12 VAL B 245 28.106 -17.467 1.939 1.00 0.00 H new ATOM 0 HG13 VAL B 245 27.475 -17.018 0.337 1.00 0.00 H new ATOM 0 HG21 VAL B 245 29.174 -14.498 -0.024 1.00 0.00 H new ATOM 0 HG22 VAL B 245 27.435 -14.640 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL B 245 28.022 -13.367 0.723 1.00 0.00 H new ATOM 2331 N LYS B 246 26.225 -14.330 4.404 1.00 0.00 N ATOM 2332 CA LYS B 246 26.132 -13.244 5.429 1.00 0.00 C ATOM 2333 C LYS B 246 27.524 -12.653 5.606 1.00 0.00 C ATOM 2334 O LYS B 246 28.459 -13.367 5.964 1.00 0.00 O ATOM 2335 CB LYS B 246 25.602 -13.852 6.767 1.00 0.00 C ATOM 2336 CG LYS B 246 25.901 -12.942 7.997 1.00 0.00 C ATOM 2337 CD LYS B 246 25.069 -11.644 7.937 1.00 0.00 C ATOM 2338 CE LYS B 246 23.972 -11.622 9.024 1.00 0.00 C ATOM 2339 NZ LYS B 246 22.725 -11.045 8.454 1.00 0.00 N1+ ATOM 0 H LYS B 246 26.034 -15.271 4.749 1.00 0.00 H new ATOM 0 HA LYS B 246 25.443 -12.458 5.118 1.00 0.00 H new ATOM 0 HB2 LYS B 246 24.526 -14.010 6.689 1.00 0.00 H new ATOM 0 HB3 LYS B 246 26.058 -14.830 6.923 1.00 0.00 H new ATOM 0 HG2 LYS B 246 25.675 -13.481 8.917 1.00 0.00 H new ATOM 0 HG3 LYS B 246 26.963 -12.697 8.024 1.00 0.00 H new ATOM 0 HD2 LYS B 246 25.726 -10.784 8.065 1.00 0.00 H new ATOM 0 HD3 LYS B 246 24.609 -11.551 6.953 1.00 0.00 H new ATOM 0 HE2 LYS B 246 23.785 -12.632 9.389 1.00 0.00 H new ATOM 0 HE3 LYS B 246 24.302 -11.031 9.878 1.00 0.00 H new ATOM 0 HZ1 LYS B 246 21.915 -11.314 9.048 1.00 0.00 H new ATOM 0 HZ2 LYS B 246 22.804 -10.008 8.425 1.00 0.00 H new ATOM 0 HZ3 LYS B 246 22.583 -11.408 7.490 1.00 0.00 H new ATOM 2353 N TRP B 247 27.645 -11.364 5.396 1.00 0.00 N ATOM 2354 CA TRP B 247 28.965 -10.701 5.569 1.00 0.00 C ATOM 2355 C TRP B 247 28.860 -9.707 6.712 1.00 0.00 C ATOM 2356 O TRP B 247 27.922 -8.913 6.777 1.00 0.00 O ATOM 2357 CB TRP B 247 29.360 -9.941 4.292 1.00 0.00 C ATOM 2358 CG TRP B 247 29.626 -10.879 3.141 1.00 0.00 C ATOM 2359 CD1 TRP B 247 29.751 -12.231 3.213 1.00 0.00 C ATOM 2360 CD2 TRP B 247 29.815 -10.538 1.736 1.00 0.00 C ATOM 2361 NE1 TRP B 247 29.980 -12.728 1.944 1.00 0.00 N ATOM 2362 CE2 TRP B 247 30.032 -11.729 1.004 1.00 0.00 C ATOM 2363 CE3 TRP B 247 29.816 -9.322 1.031 1.00 0.00 C ATOM 2364 CZ2 TRP B 247 30.236 -11.720 -0.369 1.00 0.00 C ATOM 2365 CZ3 TRP B 247 30.028 -9.307 -0.357 1.00 0.00 C ATOM 2366 CH2 TRP B 247 30.239 -10.504 -1.057 1.00 0.00 C ATOM 0 H TRP B 247 26.884 -10.747 5.112 1.00 0.00 H new ATOM 0 HA TRP B 247 29.720 -11.459 5.778 1.00 0.00 H new ATOM 0 HB2 TRP B 247 28.563 -9.249 4.020 1.00 0.00 H new ATOM 0 HB3 TRP B 247 30.250 -9.342 4.486 1.00 0.00 H new ATOM 0 HD1 TRP B 247 29.682 -12.821 4.115 1.00 0.00 H new ATOM 0 HE1 TRP B 247 30.096 -13.719 1.731 1.00 0.00 H new ATOM 0 HE3 TRP B 247 29.653 -8.394 1.560 1.00 0.00 H new ATOM 0 HZ2 TRP B 247 30.391 -12.647 -0.902 1.00 0.00 H new ATOM 0 HZ3 TRP B 247 30.029 -8.367 -0.889 1.00 0.00 H new ATOM 0 HH2 TRP B 247 30.403 -10.486 -2.124 1.00 0.00 H new ATOM 2377 N GLY B 248 29.810 -9.756 7.592 1.00 0.00 N ATOM 2378 CA GLY B 248 29.806 -8.829 8.754 1.00 0.00 C ATOM 2379 C GLY B 248 31.250 -8.592 9.182 1.00 0.00 C ATOM 2380 O GLY B 248 32.162 -9.281 8.721 1.00 0.00 O ATOM 0 H GLY B 248 30.598 -10.403 7.559 1.00 0.00 H new ATOM 0 HA2 GLY B 248 29.330 -7.886 8.486 1.00 0.00 H new ATOM 0 HA3 GLY B 248 29.231 -9.254 9.577 1.00 0.00 H new ATOM 2384 N LEU B 249 31.455 -7.640 10.046 1.00 0.00 N ATOM 2385 CA LEU B 249 32.848 -7.353 10.504 1.00 0.00 C ATOM 2386 C LEU B 249 32.824 -6.449 11.749 1.00 0.00 C ATOM 2387 O LEU B 249 33.771 -5.694 11.973 1.00 0.00 O ATOM 2388 CB LEU B 249 33.647 -6.669 9.382 1.00 0.00 C ATOM 2389 CG LEU B 249 32.818 -5.568 8.711 1.00 0.00 C ATOM 2390 CD1 LEU B 249 33.605 -4.259 8.735 1.00 0.00 C ATOM 2391 CD2 LEU B 249 32.541 -5.962 7.258 1.00 0.00 C ATOM 0 H LEU B 249 30.729 -7.051 10.454 1.00 0.00 H new ATOM 0 HA LEU B 249 33.329 -8.297 10.759 1.00 0.00 H new ATOM 0 HB2 LEU B 249 34.563 -6.242 9.791 1.00 0.00 H new ATOM 0 HB3 LEU B 249 33.945 -7.409 8.639 1.00 0.00 H new ATOM 0 HG LEU B 249 31.876 -5.440 9.245 1.00 0.00 H new ATOM 0 HD11 LEU B 249 33.019 -3.473 8.259 1.00 0.00 H new ATOM 0 HD12 LEU B 249 33.815 -3.980 9.767 1.00 0.00 H new ATOM 0 HD13 LEU B 249 34.544 -4.389 8.196 1.00 0.00 H new ATOM 0 HD21 LEU B 249 31.951 -5.182 6.776 1.00 0.00 H new ATOM 0 HD22 LEU B 249 33.485 -6.083 6.728 1.00 0.00 H new ATOM 0 HD23 LEU B 249 31.989 -6.901 7.235 1.00 0.00 H new ATOM 2403 N GLY B 250 31.755 -6.508 12.532 1.00 0.00 N ATOM 2404 CA GLY B 250 31.661 -5.631 13.749 1.00 0.00 C ATOM 2405 C GLY B 250 31.638 -6.454 15.038 1.00 0.00 C ATOM 2406 O GLY B 250 32.246 -7.523 15.130 1.00 0.00 O ATOM 0 H GLY B 250 30.955 -7.121 12.377 1.00 0.00 H new ATOM 0 HA2 GLY B 250 32.508 -4.945 13.770 1.00 0.00 H new ATOM 0 HA3 GLY B 250 30.759 -5.022 13.690 1.00 0.00 H new ATOM 2410 N LEU B 251 30.949 -5.930 16.025 1.00 0.00 N ATOM 2411 CA LEU B 251 30.861 -6.620 17.350 1.00 0.00 C ATOM 2412 C LEU B 251 29.459 -7.207 17.506 1.00 0.00 C ATOM 2413 O LEU B 251 28.464 -6.490 17.402 1.00 0.00 O ATOM 2414 CB LEU B 251 31.115 -5.627 18.504 1.00 0.00 C ATOM 2415 CG LEU B 251 31.479 -4.228 17.973 1.00 0.00 C ATOM 2416 CD1 LEU B 251 30.208 -3.502 17.521 1.00 0.00 C ATOM 2417 CD2 LEU B 251 32.138 -3.418 19.093 1.00 0.00 C ATOM 0 H LEU B 251 30.441 -5.048 15.968 1.00 0.00 H new ATOM 0 HA LEU B 251 31.617 -7.404 17.389 1.00 0.00 H new ATOM 0 HB2 LEU B 251 30.225 -5.560 19.130 1.00 0.00 H new ATOM 0 HB3 LEU B 251 31.922 -5.999 19.135 1.00 0.00 H new ATOM 0 HG LEU B 251 32.164 -4.330 17.131 1.00 0.00 H new ATOM 0 HD11 LEU B 251 30.468 -2.512 17.146 1.00 0.00 H new ATOM 0 HD12 LEU B 251 29.724 -4.074 16.730 1.00 0.00 H new ATOM 0 HD13 LEU B 251 29.526 -3.402 18.366 1.00 0.00 H new ATOM 0 HD21 LEU B 251 32.397 -2.427 18.721 1.00 0.00 H new ATOM 0 HD22 LEU B 251 31.445 -3.322 19.929 1.00 0.00 H new ATOM 0 HD23 LEU B 251 33.042 -3.928 19.427 1.00 0.00 H new ATOM 2429 N ASP B 252 29.379 -8.492 17.750 1.00 0.00 N ATOM 2430 CA ASP B 252 28.039 -9.140 17.907 1.00 0.00 C ATOM 2431 C ASP B 252 27.625 -9.132 19.371 1.00 0.00 C ATOM 2432 O ASP B 252 28.200 -9.845 20.196 1.00 0.00 O ATOM 2433 CB ASP B 252 28.082 -10.576 17.382 1.00 0.00 C ATOM 2434 CG ASP B 252 26.673 -11.154 17.343 1.00 0.00 C ATOM 2435 OD1 ASP B 252 26.058 -11.235 18.394 1.00 0.00 O ATOM 2436 OD2 ASP B 252 26.225 -11.503 16.265 1.00 0.00 O1- ATOM 0 H ASP B 252 30.179 -9.118 17.847 1.00 0.00 H new ATOM 0 HA ASP B 252 27.306 -8.577 17.329 1.00 0.00 H new ATOM 0 HB2 ASP B 252 28.520 -10.595 16.384 1.00 0.00 H new ATOM 0 HB3 ASP B 252 28.718 -11.188 18.022 1.00 0.00 H new ATOM 2441 N ASP B 253 26.638 -8.333 19.675 1.00 0.00 N ATOM 2442 CA ASP B 253 26.143 -8.242 21.078 1.00 0.00 C ATOM 2443 C ASP B 253 25.233 -7.027 21.211 1.00 0.00 C ATOM 2444 O ASP B 253 25.009 -6.303 20.244 1.00 0.00 O ATOM 2445 CB ASP B 253 27.320 -8.116 22.044 1.00 0.00 C ATOM 2446 CG ASP B 253 26.899 -7.332 23.281 1.00 0.00 C ATOM 2447 OD1 ASP B 253 26.121 -7.864 24.056 1.00 0.00 O1- ATOM 2448 OD2 ASP B 253 27.355 -6.213 23.433 1.00 0.00 O ATOM 0 H ASP B 253 26.151 -7.736 19.007 1.00 0.00 H new ATOM 0 HA ASP B 253 25.585 -9.146 21.323 1.00 0.00 H new ATOM 0 HB2 ASP B 253 27.671 -9.107 22.333 1.00 0.00 H new ATOM 0 HB3 ASP B 253 28.153 -7.614 21.552 1.00 0.00 H new