USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1088 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 THR OG1 : rot -104:sc= 0 USER MOD Set 1.2: B 133 LYS NZ :NH3+ 177:sc= 1.5 (180deg=1.46) USER MOD Set 2.1: B 97 ASN : amide:sc= 0.446 K(o=0.95,f=-0.23) USER MOD Set 2.2: B 104 TYR OH : rot -177:sc= 0.503 USER MOD Set 3.1: B 83 MET CE :methyl 169:sc= 0 (180deg=-0.107) USER MOD Set 3.2: B 88 CYS SG : rot -100:sc= -0.75 USER MOD Set 4.1: B 84 THR OG1 : rot 180:sc= 0.442 USER MOD Set 4.2: B 111 LYS NZ :NH3+ -162:sc= 0.478 (180deg=0) USER MOD Set 5.1: A 54 THR OG1 : rot 180:sc= 0.538 USER MOD Set 5.2: A 57 THR OG1 : rot 84:sc= 0.59 USER MOD Set 6.1: A 24 GLN : amide:sc= -0.95 K(o=2.1,f=-1.4) USER MOD Set 6.2: A 25 GLN : amide:sc= 1.81 K(o=2.1,f=-4.5) USER MOD Set 6.3: A 28 LYS NZ :NH3+ -136:sc= 1.26 (180deg=0) USER MOD Set 7.1: A 4 ASN : amide:sc= -1.31 K(o=-1.3,f=0.059) USER MOD Set 7.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 158:sc= 1.21 USER MOD Single : A 9 SER OG : rot 180:sc= 0.728 USER MOD Single : A 13 MET CE :methyl 159:sc= -0.263 (180deg=-0.777) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.616 K(o=-0.62,f=-4.9) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 HIS : no HE2:sc= -0.124 K(o=-0.12,f=-1.2) USER MOD Single : A 34 HIS : no HD1:sc= -0.0334 X(o=-0.033,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00035) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0.717 (180deg=0.711) USER MOD Single : A 43 ASN : amide:sc= 0.447 K(o=0.45,f=-0.65) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= 0.663 (180deg=0.552) USER MOD Single : A 53 GLN : amide:sc= -2.69! C(o=-2.7!,f=-5.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.603 K(o=0.6,f=-0.75) USER MOD Single : A 65 MET CE :methyl -172:sc= -0.117 (180deg=-0.199) USER MOD Single : A 72 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.3) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 74 MET CE :methyl 170:sc= 0 (180deg=-0.0358) USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 HIS : no HE2:sc= -0.7 X(o=-0.7,f=-0.42) USER MOD Single : B 80 SER OG : rot 32:sc= 0.488 USER MOD Single : B 93 SER OG : rot 77:sc= 1.01 USER MOD Single : B 98 LYS NZ :NH3+ 147:sc= 1.03 (180deg=0.578) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 110 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 114 CYS SG : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot 130:sc= 0.0958 USER MOD Single : B 119 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 123 THR OG1 : rot 180:sc= 0 USER MOD Single : B 127 THR OG1 : rot 84:sc= 1.18 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 131 THR OG1 : rot -75:sc= 1.16 USER MOD Single : B 134 THR OG1 : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 180:sc= 0 USER MOD Single : B 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.048 -8.061 29.159 1.00 0.00 N ATOM 2 CA MET A 1 -10.973 -8.302 27.702 1.00 0.00 C ATOM 3 C MET A 1 -9.789 -9.212 27.369 1.00 0.00 C ATOM 4 O MET A 1 -9.988 -10.416 27.202 1.00 0.00 O ATOM 5 CB MET A 1 -10.938 -7.007 26.873 1.00 0.00 C ATOM 6 CG MET A 1 -12.195 -6.150 27.028 1.00 0.00 C ATOM 7 SD MET A 1 -12.454 -4.924 25.716 1.00 0.00 S ATOM 8 CE MET A 1 -13.298 -5.970 24.497 1.00 0.00 C ATOM 0 H1 MET A 1 -11.857 -7.442 29.367 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.169 -8.967 29.655 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.171 -7.605 29.481 1.00 0.00 H new ATOM 0 HA MET A 1 -11.895 -8.809 27.419 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.069 -6.419 27.168 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.809 -7.262 25.821 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.063 -6.808 27.066 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.147 -5.631 27.985 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.537 -5.378 23.613 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.647 -6.797 24.215 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.218 -6.364 24.930 1.00 0.00 H new ATOM 20 N GLY A 2 -8.565 -8.672 27.263 1.00 0.00 N ATOM 21 CA GLY A 2 -7.324 -9.430 27.034 1.00 0.00 C ATOM 22 C GLY A 2 -6.741 -9.195 25.639 1.00 0.00 C ATOM 23 O GLY A 2 -6.546 -8.045 25.244 1.00 0.00 O ATOM 0 H GLY A 2 -8.406 -7.667 27.336 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.586 -9.147 27.785 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.522 -10.494 27.167 1.00 0.00 H new ATOM 27 N VAL A 3 -6.425 -10.267 24.915 1.00 0.00 N ATOM 28 CA VAL A 3 -5.898 -10.234 23.539 1.00 0.00 C ATOM 29 C VAL A 3 -6.902 -10.831 22.550 1.00 0.00 C ATOM 30 O VAL A 3 -7.411 -11.930 22.762 1.00 0.00 O ATOM 31 CB VAL A 3 -4.550 -10.982 23.395 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.381 -10.080 23.811 1.00 0.00 C ATOM 33 CG2 VAL A 3 -4.457 -12.330 24.130 1.00 0.00 C ATOM 0 H VAL A 3 -6.529 -11.216 25.275 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.730 -9.182 23.310 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.489 -11.227 22.335 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.444 -10.626 23.702 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.361 -9.194 23.176 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.506 -9.778 24.851 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.473 -12.768 23.963 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.608 -12.173 25.198 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.224 -13.005 23.750 1.00 0.00 H new ATOM 43 N ASN A 4 -7.151 -10.118 21.450 1.00 0.00 N ATOM 44 CA ASN A 4 -8.001 -10.551 20.342 1.00 0.00 C ATOM 45 C ASN A 4 -7.117 -11.004 19.162 1.00 0.00 C ATOM 46 O ASN A 4 -6.341 -10.211 18.635 1.00 0.00 O ATOM 47 CB ASN A 4 -8.915 -9.366 19.962 1.00 0.00 C ATOM 48 CG ASN A 4 -10.085 -9.747 19.061 1.00 0.00 C ATOM 49 OD1 ASN A 4 -11.234 -9.435 19.354 1.00 0.00 O ATOM 50 ND2 ASN A 4 -9.846 -10.413 17.948 1.00 0.00 N ATOM 0 H ASN A 4 -6.752 -9.191 21.302 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.622 -11.402 20.622 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.305 -8.914 20.874 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.317 -8.606 19.460 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.617 -10.668 17.331 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.890 -10.673 17.704 1.00 0.00 H new ATOM 57 N SER A 5 -7.231 -12.252 18.703 1.00 0.00 N ATOM 58 CA SER A 5 -6.469 -12.760 17.544 1.00 0.00 C ATOM 59 C SER A 5 -7.343 -12.900 16.285 1.00 0.00 C ATOM 60 O SER A 5 -8.513 -13.278 16.380 1.00 0.00 O ATOM 61 CB SER A 5 -5.790 -14.095 17.892 1.00 0.00 C ATOM 62 OG SER A 5 -6.719 -15.128 18.176 1.00 0.00 O ATOM 0 H SER A 5 -7.853 -12.945 19.120 1.00 0.00 H new ATOM 0 HA SER A 5 -5.700 -12.023 17.313 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.156 -14.402 17.060 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.138 -13.952 18.754 1.00 0.00 H new ATOM 0 HG SER A 5 -6.235 -15.953 18.389 1.00 0.00 H new ATOM 68 N VAL A 6 -6.797 -12.637 15.091 1.00 0.00 N ATOM 69 CA VAL A 6 -7.531 -12.823 13.821 1.00 0.00 C ATOM 70 C VAL A 6 -6.585 -13.040 12.630 1.00 0.00 C ATOM 71 O VAL A 6 -5.391 -12.740 12.721 1.00 0.00 O ATOM 72 CB VAL A 6 -8.546 -11.667 13.585 1.00 0.00 C ATOM 73 CG1 VAL A 6 -7.919 -10.428 12.934 1.00 0.00 C ATOM 74 CG2 VAL A 6 -9.761 -12.123 12.763 1.00 0.00 C ATOM 0 H VAL A 6 -5.844 -12.293 14.972 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.112 -13.741 13.907 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.879 -11.381 14.583 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.683 -9.662 12.799 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.127 -10.041 13.575 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.501 -10.699 11.964 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.442 -11.283 12.624 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.427 -12.485 11.791 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.277 -12.925 13.291 1.00 0.00 H new ATOM 84 N THR A 7 -7.132 -13.545 11.518 1.00 0.00 N ATOM 85 CA THR A 7 -6.427 -13.773 10.247 1.00 0.00 C ATOM 86 C THR A 7 -7.160 -13.031 9.129 1.00 0.00 C ATOM 87 O THR A 7 -8.386 -12.988 9.099 1.00 0.00 O ATOM 88 CB THR A 7 -6.356 -15.272 9.925 1.00 0.00 C ATOM 89 OG1 THR A 7 -5.928 -16.012 11.049 1.00 0.00 O ATOM 90 CG2 THR A 7 -5.374 -15.577 8.793 1.00 0.00 C ATOM 0 H THR A 7 -8.114 -13.817 11.475 1.00 0.00 H new ATOM 0 HA THR A 7 -5.407 -13.397 10.333 1.00 0.00 H new ATOM 0 HB THR A 7 -7.365 -15.556 9.627 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.216 -16.944 10.956 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.360 -16.650 8.603 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.686 -15.053 7.890 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.376 -15.246 9.078 1.00 0.00 H new ATOM 98 N ILE A 8 -6.427 -12.437 8.193 1.00 0.00 N ATOM 99 CA ILE A 8 -6.963 -11.721 7.025 1.00 0.00 C ATOM 100 C ILE A 8 -6.238 -12.170 5.752 1.00 0.00 C ATOM 101 O ILE A 8 -5.016 -12.283 5.702 1.00 0.00 O ATOM 102 CB ILE A 8 -6.883 -10.195 7.267 1.00 0.00 C ATOM 103 CG1 ILE A 8 -7.750 -9.829 8.498 1.00 0.00 C ATOM 104 CG2 ILE A 8 -7.329 -9.402 6.026 1.00 0.00 C ATOM 105 CD1 ILE A 8 -7.885 -8.334 8.779 1.00 0.00 C ATOM 0 H ILE A 8 -5.407 -12.437 8.221 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.016 -11.966 6.883 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.845 -9.925 7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.747 -10.247 8.357 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.324 -10.310 9.378 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.260 -8.334 6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.684 -9.651 5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.360 -9.658 5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.510 -8.184 9.659 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.898 -7.907 8.958 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.343 -7.842 7.921 1.00 0.00 H new ATOM 117 N SER A 9 -6.990 -12.387 4.682 1.00 0.00 N ATOM 118 CA SER A 9 -6.600 -13.120 3.468 1.00 0.00 C ATOM 119 C SER A 9 -5.565 -12.445 2.538 1.00 0.00 C ATOM 120 O SER A 9 -5.544 -12.734 1.344 1.00 0.00 O ATOM 121 CB SER A 9 -7.893 -13.396 2.691 1.00 0.00 C ATOM 122 OG SER A 9 -8.496 -12.174 2.287 1.00 0.00 O ATOM 0 H SER A 9 -7.947 -12.039 4.627 1.00 0.00 H new ATOM 0 HA SER A 9 -6.079 -14.016 3.804 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.676 -14.009 1.816 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.585 -13.963 3.313 1.00 0.00 H new ATOM 0 HG SER A 9 -9.319 -12.364 1.791 1.00 0.00 H new ATOM 128 N VAL A 10 -4.751 -11.515 3.040 1.00 0.00 N ATOM 129 CA VAL A 10 -4.080 -10.471 2.236 1.00 0.00 C ATOM 130 C VAL A 10 -3.284 -11.026 1.037 1.00 0.00 C ATOM 131 O VAL A 10 -2.227 -11.634 1.201 1.00 0.00 O ATOM 132 CB VAL A 10 -3.221 -9.511 3.093 1.00 0.00 C ATOM 133 CG1 VAL A 10 -2.577 -8.405 2.239 1.00 0.00 C ATOM 134 CG2 VAL A 10 -4.097 -8.813 4.143 1.00 0.00 C ATOM 0 H VAL A 10 -4.530 -11.458 4.034 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.895 -9.883 1.813 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.445 -10.118 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.982 -7.752 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.934 -8.857 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.357 -7.822 1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.482 -8.140 4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.879 -8.242 3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.552 -9.561 4.792 1.00 0.00 H new ATOM 144 N GLU A 11 -3.790 -10.745 -0.174 1.00 0.00 N ATOM 145 CA GLU A 11 -3.206 -11.103 -1.483 1.00 0.00 C ATOM 146 C GLU A 11 -1.929 -10.302 -1.834 1.00 0.00 C ATOM 147 O GLU A 11 -1.319 -10.532 -2.882 1.00 0.00 O ATOM 148 CB GLU A 11 -4.272 -10.874 -2.581 1.00 0.00 C ATOM 149 CG GLU A 11 -5.380 -11.944 -2.666 1.00 0.00 C ATOM 150 CD GLU A 11 -5.052 -13.182 -3.518 1.00 0.00 C ATOM 151 OE1 GLU A 11 -3.970 -13.267 -4.143 1.00 0.00 O ATOM 152 OE2 GLU A 11 -5.928 -14.077 -3.638 1.00 0.00 O ATOM 0 H GLU A 11 -4.667 -10.233 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.907 -12.150 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.740 -9.904 -2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.768 -10.820 -3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.618 -12.275 -1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.279 -11.477 -3.068 1.00 0.00 H new ATOM 159 N GLY A 12 -1.538 -9.329 -1.003 1.00 0.00 N ATOM 160 CA GLY A 12 -0.600 -8.256 -1.350 1.00 0.00 C ATOM 161 C GLY A 12 0.875 -8.646 -1.351 1.00 0.00 C ATOM 162 O GLY A 12 1.531 -8.540 -2.388 1.00 0.00 O ATOM 0 H GLY A 12 -1.876 -9.265 -0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.858 -7.878 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.740 -7.434 -0.648 1.00 0.00 H new ATOM 166 N MET A 13 1.413 -9.061 -0.204 1.00 0.00 N ATOM 167 CA MET A 13 2.836 -9.383 -0.050 1.00 0.00 C ATOM 168 C MET A 13 3.160 -10.704 -0.761 1.00 0.00 C ATOM 169 O MET A 13 2.611 -11.745 -0.393 1.00 0.00 O ATOM 170 CB MET A 13 3.262 -9.478 1.433 1.00 0.00 C ATOM 171 CG MET A 13 2.613 -8.489 2.417 1.00 0.00 C ATOM 172 SD MET A 13 0.848 -8.702 2.819 1.00 0.00 S ATOM 173 CE MET A 13 0.682 -10.506 2.934 1.00 0.00 C ATOM 0 H MET A 13 0.872 -9.185 0.652 1.00 0.00 H new ATOM 0 HA MET A 13 3.397 -8.567 -0.504 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.050 -10.489 1.781 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.343 -9.344 1.483 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.174 -8.532 3.350 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.743 -7.485 2.013 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.204 -10.753 3.519 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.585 -10.927 1.933 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.565 -10.922 3.419 1.00 0.00 H new ATOM 183 N THR A 14 4.073 -10.669 -1.737 1.00 0.00 N ATOM 184 CA THR A 14 4.622 -11.862 -2.418 1.00 0.00 C ATOM 185 C THR A 14 6.144 -11.815 -2.524 1.00 0.00 C ATOM 186 O THR A 14 6.782 -12.853 -2.695 1.00 0.00 O ATOM 187 CB THR A 14 3.994 -12.049 -3.812 1.00 0.00 C ATOM 188 OG1 THR A 14 4.189 -10.909 -4.624 1.00 0.00 O ATOM 189 CG2 THR A 14 2.492 -12.327 -3.727 1.00 0.00 C ATOM 0 H THR A 14 4.464 -9.795 -2.088 1.00 0.00 H new ATOM 0 HA THR A 14 4.360 -12.721 -1.801 1.00 0.00 H new ATOM 0 HB THR A 14 4.496 -12.908 -4.256 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.781 -11.059 -5.502 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.088 -12.453 -4.731 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.322 -13.237 -3.151 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.994 -11.490 -3.238 1.00 0.00 H new ATOM 197 N CYS A 15 6.729 -10.628 -2.422 1.00 0.00 N ATOM 198 CA CYS A 15 8.103 -10.304 -2.723 1.00 0.00 C ATOM 199 C CYS A 15 8.990 -10.181 -1.456 1.00 0.00 C ATOM 200 O CYS A 15 9.833 -11.048 -1.200 1.00 0.00 O ATOM 201 CB CYS A 15 8.000 -9.018 -3.573 1.00 0.00 C ATOM 202 SG CYS A 15 6.785 -7.823 -2.922 1.00 0.00 S ATOM 0 H CYS A 15 6.209 -9.811 -2.102 1.00 0.00 H new ATOM 0 HA CYS A 15 8.617 -11.095 -3.269 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.979 -8.542 -3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.726 -9.286 -4.594 1.00 0.00 H new ATOM 207 N ASN A 16 8.826 -9.086 -0.709 1.00 0.00 N ATOM 208 CA ASN A 16 9.818 -8.520 0.223 1.00 0.00 C ATOM 209 C ASN A 16 9.253 -7.311 1.018 1.00 0.00 C ATOM 210 O ASN A 16 8.320 -7.479 1.798 1.00 0.00 O ATOM 211 CB ASN A 16 11.147 -8.232 -0.522 1.00 0.00 C ATOM 212 CG ASN A 16 10.995 -7.346 -1.758 1.00 0.00 C ATOM 213 OD1 ASN A 16 9.996 -6.664 -1.937 1.00 0.00 O ATOM 214 ND2 ASN A 16 11.979 -7.308 -2.632 1.00 0.00 N ATOM 0 H ASN A 16 7.963 -8.543 -0.735 1.00 0.00 H new ATOM 0 HA ASN A 16 10.047 -9.260 0.990 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.842 -7.755 0.169 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.595 -9.180 -0.821 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.907 -6.711 -3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.814 -7.876 -2.485 1.00 0.00 H new ATOM 221 N SER A 17 9.775 -6.088 0.846 1.00 0.00 N ATOM 222 CA SER A 17 9.484 -4.879 1.646 1.00 0.00 C ATOM 223 C SER A 17 8.030 -4.364 1.599 1.00 0.00 C ATOM 224 O SER A 17 7.702 -3.354 2.217 1.00 0.00 O ATOM 225 CB SER A 17 10.418 -3.741 1.215 1.00 0.00 C ATOM 226 OG SER A 17 11.779 -4.137 1.177 1.00 0.00 O ATOM 0 H SER A 17 10.450 -5.900 0.105 1.00 0.00 H new ATOM 0 HA SER A 17 9.649 -5.191 2.677 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.120 -3.385 0.229 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.306 -2.904 1.904 1.00 0.00 H new ATOM 0 HG SER A 17 12.333 -3.379 0.896 1.00 0.00 H new ATOM 232 N CYS A 18 7.132 -5.053 0.896 1.00 0.00 N ATOM 233 CA CYS A 18 5.696 -4.929 1.057 1.00 0.00 C ATOM 234 C CYS A 18 5.250 -5.404 2.473 1.00 0.00 C ATOM 235 O CYS A 18 4.326 -4.824 3.046 1.00 0.00 O ATOM 236 CB CYS A 18 5.096 -5.699 -0.138 1.00 0.00 C ATOM 237 SG CYS A 18 5.994 -7.209 -0.625 1.00 0.00 S ATOM 0 H CYS A 18 7.398 -5.730 0.181 1.00 0.00 H new ATOM 0 HA CYS A 18 5.332 -3.902 1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.069 -5.970 0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.054 -5.029 -0.996 1.00 0.00 H new ATOM 242 N VAL A 19 5.958 -6.372 3.077 1.00 0.00 N ATOM 243 CA VAL A 19 5.747 -6.785 4.486 1.00 0.00 C ATOM 244 C VAL A 19 6.014 -5.638 5.479 1.00 0.00 C ATOM 245 O VAL A 19 5.260 -5.474 6.441 1.00 0.00 O ATOM 246 CB VAL A 19 6.561 -8.039 4.904 1.00 0.00 C ATOM 247 CG1 VAL A 19 6.275 -9.233 3.973 1.00 0.00 C ATOM 248 CG2 VAL A 19 8.074 -7.800 5.056 1.00 0.00 C ATOM 0 H VAL A 19 6.696 -6.895 2.606 1.00 0.00 H new ATOM 0 HA VAL A 19 4.692 -7.055 4.531 1.00 0.00 H new ATOM 0 HB VAL A 19 6.208 -8.282 5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.861 -10.094 4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.214 -9.481 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.547 -8.970 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.561 -8.730 5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.486 -7.459 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.248 -7.042 5.820 1.00 0.00 H new ATOM 258 N TRP A 20 7.027 -4.797 5.216 1.00 0.00 N ATOM 259 CA TRP A 20 7.360 -3.638 6.051 1.00 0.00 C ATOM 260 C TRP A 20 6.210 -2.627 6.101 1.00 0.00 C ATOM 261 O TRP A 20 5.847 -2.180 7.192 1.00 0.00 O ATOM 262 CB TRP A 20 8.667 -2.992 5.561 1.00 0.00 C ATOM 263 CG TRP A 20 8.833 -1.553 5.939 1.00 0.00 C ATOM 264 CD1 TRP A 20 9.033 -1.093 7.194 1.00 0.00 C ATOM 265 CD2 TRP A 20 8.715 -0.366 5.093 1.00 0.00 C ATOM 266 NE1 TRP A 20 9.041 0.286 7.184 1.00 0.00 N ATOM 267 CE2 TRP A 20 8.834 0.791 5.920 1.00 0.00 C ATOM 268 CE3 TRP A 20 8.495 -0.145 3.715 1.00 0.00 C ATOM 269 CZ2 TRP A 20 8.730 2.093 5.413 1.00 0.00 C ATOM 270 CZ3 TRP A 20 8.407 1.160 3.192 1.00 0.00 C ATOM 271 CH2 TRP A 20 8.522 2.278 4.037 1.00 0.00 C ATOM 0 H TRP A 20 7.642 -4.906 4.410 1.00 0.00 H new ATOM 0 HA TRP A 20 7.513 -3.984 7.073 1.00 0.00 H new ATOM 0 HB2 TRP A 20 9.508 -3.558 5.961 1.00 0.00 H new ATOM 0 HB3 TRP A 20 8.713 -3.076 4.475 1.00 0.00 H new ATOM 0 HD1 TRP A 20 9.166 -1.710 8.070 1.00 0.00 H new ATOM 0 HE1 TRP A 20 9.183 0.863 8.013 1.00 0.00 H new ATOM 0 HE3 TRP A 20 8.393 -0.991 3.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 8.809 2.944 6.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 8.250 1.303 2.133 1.00 0.00 H new ATOM 0 HH2 TRP A 20 8.451 3.275 3.629 1.00 0.00 H new ATOM 282 N THR A 21 5.575 -2.328 4.957 1.00 0.00 N ATOM 283 CA THR A 21 4.386 -1.461 4.908 1.00 0.00 C ATOM 284 C THR A 21 3.249 -2.004 5.774 1.00 0.00 C ATOM 285 O THR A 21 2.570 -1.204 6.407 1.00 0.00 O ATOM 286 CB THR A 21 3.957 -1.204 3.461 1.00 0.00 C ATOM 287 OG1 THR A 21 4.983 -0.473 2.831 1.00 0.00 O ATOM 288 CG2 THR A 21 2.685 -0.362 3.357 1.00 0.00 C ATOM 0 H THR A 21 5.868 -2.678 4.045 1.00 0.00 H new ATOM 0 HA THR A 21 4.655 -0.496 5.338 1.00 0.00 H new ATOM 0 HB THR A 21 3.767 -2.173 2.999 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.711 0.465 2.745 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.432 -0.214 2.307 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.866 -0.877 3.859 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.850 0.606 3.831 1.00 0.00 H new ATOM 296 N ILE A 22 3.070 -3.324 5.903 1.00 0.00 N ATOM 297 CA ILE A 22 2.080 -3.880 6.851 1.00 0.00 C ATOM 298 C ILE A 22 2.472 -3.601 8.308 1.00 0.00 C ATOM 299 O ILE A 22 1.645 -3.084 9.055 1.00 0.00 O ATOM 300 CB ILE A 22 1.806 -5.386 6.617 1.00 0.00 C ATOM 301 CG1 ILE A 22 1.500 -5.737 5.141 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.653 -5.844 7.539 1.00 0.00 C ATOM 303 CD1 ILE A 22 0.291 -5.022 4.526 1.00 0.00 C ATOM 0 H ILE A 22 3.588 -4.025 5.373 1.00 0.00 H new ATOM 0 HA ILE A 22 1.143 -3.360 6.654 1.00 0.00 H new ATOM 0 HB ILE A 22 2.722 -5.923 6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.380 -5.505 4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.339 -6.813 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.457 -6.904 7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.933 -5.681 8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.245 -5.270 7.311 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.168 -5.341 3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.606 -5.272 5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.451 -3.944 4.557 1.00 0.00 H new ATOM 315 N GLU A 23 3.715 -3.885 8.713 1.00 0.00 N ATOM 316 CA GLU A 23 4.190 -3.610 10.081 1.00 0.00 C ATOM 317 C GLU A 23 4.120 -2.108 10.420 1.00 0.00 C ATOM 318 O GLU A 23 3.850 -1.737 11.560 1.00 0.00 O ATOM 319 CB GLU A 23 5.618 -4.169 10.265 1.00 0.00 C ATOM 320 CG GLU A 23 6.036 -4.250 11.748 1.00 0.00 C ATOM 321 CD GLU A 23 7.398 -4.908 12.003 1.00 0.00 C ATOM 322 OE1 GLU A 23 8.243 -4.989 11.079 1.00 0.00 O ATOM 323 OE2 GLU A 23 7.651 -5.337 13.155 1.00 0.00 O ATOM 0 H GLU A 23 4.419 -4.309 8.109 1.00 0.00 H new ATOM 0 HA GLU A 23 3.527 -4.117 10.782 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.676 -5.162 9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.324 -3.537 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.054 -3.241 12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.273 -4.804 12.295 1.00 0.00 H new ATOM 330 N GLN A 24 4.331 -1.240 9.429 1.00 0.00 N ATOM 331 CA GLN A 24 4.201 0.216 9.527 1.00 0.00 C ATOM 332 C GLN A 24 2.734 0.666 9.667 1.00 0.00 C ATOM 333 O GLN A 24 2.422 1.424 10.584 1.00 0.00 O ATOM 334 CB GLN A 24 4.904 0.819 8.297 1.00 0.00 C ATOM 335 CG GLN A 24 4.971 2.354 8.259 1.00 0.00 C ATOM 336 CD GLN A 24 3.717 3.035 7.700 1.00 0.00 C ATOM 337 OE1 GLN A 24 3.093 3.867 8.338 1.00 0.00 O ATOM 338 NE2 GLN A 24 3.335 2.794 6.466 1.00 0.00 N ATOM 0 H GLN A 24 4.609 -1.545 8.496 1.00 0.00 H new ATOM 0 HA GLN A 24 4.679 0.580 10.437 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.920 0.427 8.253 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.390 0.473 7.400 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.148 2.722 9.270 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.829 2.652 7.657 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.834 2.105 5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.540 3.296 6.071 1.00 0.00 H new ATOM 347 N GLN A 25 1.836 0.195 8.791 1.00 0.00 N ATOM 348 CA GLN A 25 0.414 0.568 8.774 1.00 0.00 C ATOM 349 C GLN A 25 -0.352 0.041 9.995 1.00 0.00 C ATOM 350 O GLN A 25 -1.205 0.747 10.534 1.00 0.00 O ATOM 351 CB GLN A 25 -0.250 0.008 7.499 1.00 0.00 C ATOM 352 CG GLN A 25 0.059 0.802 6.223 1.00 0.00 C ATOM 353 CD GLN A 25 -0.732 2.105 6.168 1.00 0.00 C ATOM 354 OE1 GLN A 25 -0.304 3.132 6.668 1.00 0.00 O ATOM 355 NE2 GLN A 25 -1.922 2.108 5.610 1.00 0.00 N ATOM 0 H GLN A 25 2.083 -0.470 8.058 1.00 0.00 H new ATOM 0 HA GLN A 25 0.371 1.657 8.796 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.074 -1.023 7.358 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.330 -0.014 7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.126 1.021 6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.178 0.195 5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.290 1.255 5.189 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.478 2.963 5.598 1.00 0.00 H new ATOM 364 N ILE A 26 -0.075 -1.199 10.412 1.00 0.00 N ATOM 365 CA ILE A 26 -0.660 -1.820 11.609 1.00 0.00 C ATOM 366 C ILE A 26 -0.069 -1.206 12.884 1.00 0.00 C ATOM 367 O ILE A 26 -0.824 -0.753 13.750 1.00 0.00 O ATOM 368 CB ILE A 26 -0.477 -3.355 11.537 1.00 0.00 C ATOM 369 CG1 ILE A 26 -1.232 -4.001 10.348 1.00 0.00 C ATOM 370 CG2 ILE A 26 -0.881 -4.029 12.855 1.00 0.00 C ATOM 371 CD1 ILE A 26 -2.765 -3.907 10.385 1.00 0.00 C ATOM 0 H ILE A 26 0.574 -1.812 9.919 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.731 -1.619 11.644 1.00 0.00 H new ATOM 0 HB ILE A 26 0.587 -3.521 11.368 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.883 -3.535 9.427 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.955 -5.054 10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.740 -5.107 12.771 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.261 -3.645 13.665 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.929 -3.815 13.067 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.181 -4.393 9.503 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.138 -4.402 11.282 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.065 -2.859 10.397 1.00 0.00 H new ATOM 383 N GLY A 27 1.264 -1.126 12.982 1.00 0.00 N ATOM 384 CA GLY A 27 1.980 -0.471 14.088 1.00 0.00 C ATOM 385 C GLY A 27 1.514 0.962 14.368 1.00 0.00 C ATOM 386 O GLY A 27 1.550 1.407 15.515 1.00 0.00 O ATOM 0 H GLY A 27 1.889 -1.523 12.281 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.854 -1.067 14.992 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.046 -0.458 13.860 1.00 0.00 H new ATOM 390 N LYS A 28 0.963 1.658 13.367 1.00 0.00 N ATOM 391 CA LYS A 28 0.321 2.970 13.523 1.00 0.00 C ATOM 392 C LYS A 28 -0.854 2.948 14.531 1.00 0.00 C ATOM 393 O LYS A 28 -1.064 3.918 15.265 1.00 0.00 O ATOM 394 CB LYS A 28 -0.118 3.454 12.126 1.00 0.00 C ATOM 395 CG LYS A 28 -0.021 4.983 11.968 1.00 0.00 C ATOM 396 CD LYS A 28 -0.355 5.490 10.550 1.00 0.00 C ATOM 397 CE LYS A 28 0.485 4.785 9.476 1.00 0.00 C ATOM 398 NZ LYS A 28 0.352 5.394 8.130 1.00 0.00 N ATOM 0 H LYS A 28 0.950 1.318 12.405 1.00 0.00 H new ATOM 0 HA LYS A 28 1.038 3.672 13.950 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.502 2.975 11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.145 3.139 11.943 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.698 5.455 12.680 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.988 5.301 12.228 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.414 5.328 10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.181 6.565 10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.533 4.805 9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.189 3.737 9.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.246 4.643 7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.485 6.011 8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.201 5.955 7.917 1.00 0.00 H new ATOM 412 N VAL A 29 -1.576 1.826 14.631 1.00 0.00 N ATOM 413 CA VAL A 29 -2.848 1.701 15.377 1.00 0.00 C ATOM 414 C VAL A 29 -2.662 1.548 16.901 1.00 0.00 C ATOM 415 O VAL A 29 -3.585 1.832 17.659 1.00 0.00 O ATOM 416 CB VAL A 29 -3.723 0.557 14.804 1.00 0.00 C ATOM 417 CG1 VAL A 29 -5.152 0.578 15.376 1.00 0.00 C ATOM 418 CG2 VAL A 29 -3.860 0.642 13.269 1.00 0.00 C ATOM 0 H VAL A 29 -1.290 0.954 14.186 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.370 2.647 15.234 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.209 -0.360 15.092 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.728 -0.241 14.946 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.112 0.464 16.459 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.629 1.526 15.128 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.481 -0.180 12.913 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.322 1.591 12.997 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.873 0.575 12.811 1.00 0.00 H new ATOM 428 N ASN A 30 -1.474 1.128 17.365 1.00 0.00 N ATOM 429 CA ASN A 30 -1.035 1.084 18.777 1.00 0.00 C ATOM 430 C ASN A 30 -1.582 -0.114 19.579 1.00 0.00 C ATOM 431 O ASN A 30 -0.873 -0.653 20.430 1.00 0.00 O ATOM 432 CB ASN A 30 -1.375 2.399 19.511 1.00 0.00 C ATOM 433 CG ASN A 30 -0.515 2.615 20.751 1.00 0.00 C ATOM 434 OD1 ASN A 30 -0.995 2.565 21.874 1.00 0.00 O ATOM 435 ND2 ASN A 30 0.772 2.861 20.592 1.00 0.00 N ATOM 0 H ASN A 30 -0.750 0.790 16.732 1.00 0.00 H new ATOM 0 HA ASN A 30 0.046 0.954 18.726 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.239 3.238 18.828 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.426 2.389 19.799 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.367 3.010 21.407 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.171 2.902 19.654 1.00 0.00 H new ATOM 442 N GLY A 31 -2.817 -0.561 19.307 1.00 0.00 N ATOM 443 CA GLY A 31 -3.457 -1.662 20.041 1.00 0.00 C ATOM 444 C GLY A 31 -2.855 -3.030 19.718 1.00 0.00 C ATOM 445 O GLY A 31 -2.798 -3.888 20.593 1.00 0.00 O ATOM 0 H GLY A 31 -3.402 -0.168 18.569 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.368 -1.477 21.111 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.521 -1.676 19.807 1.00 0.00 H new ATOM 449 N VAL A 32 -2.360 -3.220 18.495 1.00 0.00 N ATOM 450 CA VAL A 32 -1.569 -4.393 18.065 1.00 0.00 C ATOM 451 C VAL A 32 -0.581 -4.878 19.145 1.00 0.00 C ATOM 452 O VAL A 32 0.132 -4.089 19.759 1.00 0.00 O ATOM 453 CB VAL A 32 -0.859 -4.143 16.712 1.00 0.00 C ATOM 454 CG1 VAL A 32 0.065 -2.913 16.719 1.00 0.00 C ATOM 455 CG2 VAL A 32 -0.087 -5.393 16.245 1.00 0.00 C ATOM 0 H VAL A 32 -2.499 -2.543 17.744 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.283 -5.203 17.917 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.655 -3.929 15.999 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.528 -2.800 15.739 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.518 -2.021 16.950 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.841 -3.045 17.474 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.400 -5.185 15.292 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.666 -5.654 16.988 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.781 -6.225 16.124 1.00 0.00 H new ATOM 465 N HIS A 33 -0.579 -6.188 19.395 1.00 0.00 N ATOM 466 CA HIS A 33 0.365 -6.893 20.272 1.00 0.00 C ATOM 467 C HIS A 33 1.326 -7.810 19.478 1.00 0.00 C ATOM 468 O HIS A 33 2.459 -8.026 19.911 1.00 0.00 O ATOM 469 CB HIS A 33 -0.429 -7.713 21.307 1.00 0.00 C ATOM 470 CG HIS A 33 -0.960 -6.928 22.488 1.00 0.00 C ATOM 471 ND1 HIS A 33 -1.381 -5.617 22.511 1.00 0.00 N ATOM 472 CD2 HIS A 33 -1.086 -7.403 23.768 1.00 0.00 C ATOM 473 CE1 HIS A 33 -1.724 -5.312 23.774 1.00 0.00 C ATOM 474 NE2 HIS A 33 -1.585 -6.377 24.581 1.00 0.00 N ATOM 0 H HIS A 33 -1.264 -6.817 18.975 1.00 0.00 H new ATOM 0 HA HIS A 33 0.983 -6.151 20.777 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.269 -8.189 20.801 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.211 -8.512 21.681 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -1.425 -4.988 21.710 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.841 -8.403 24.095 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.066 -4.340 24.097 1.00 0.00 H new ATOM 482 N HIS A 34 0.925 -8.330 18.312 1.00 0.00 N ATOM 483 CA HIS A 34 1.816 -9.046 17.390 1.00 0.00 C ATOM 484 C HIS A 34 1.273 -8.985 15.950 1.00 0.00 C ATOM 485 O HIS A 34 0.105 -9.305 15.728 1.00 0.00 O ATOM 486 CB HIS A 34 1.990 -10.504 17.853 1.00 0.00 C ATOM 487 CG HIS A 34 3.061 -11.260 17.101 1.00 0.00 C ATOM 488 ND1 HIS A 34 4.343 -11.506 17.535 1.00 0.00 N ATOM 489 CD2 HIS A 34 2.931 -11.872 15.882 1.00 0.00 C ATOM 490 CE1 HIS A 34 4.962 -12.258 16.612 1.00 0.00 C ATOM 491 NE2 HIS A 34 4.142 -12.507 15.574 1.00 0.00 N ATOM 0 H HIS A 34 -0.037 -8.265 17.978 1.00 0.00 H new ATOM 0 HA HIS A 34 2.792 -8.562 17.397 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.232 -10.511 18.916 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.041 -11.027 17.738 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.046 -11.866 15.263 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.978 -12.614 16.691 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.358 -13.047 14.736 1.00 0.00 H new ATOM 499 N ILE A 35 2.106 -8.611 14.970 1.00 0.00 N ATOM 500 CA ILE A 35 1.795 -8.690 13.526 1.00 0.00 C ATOM 501 C ILE A 35 2.682 -9.735 12.832 1.00 0.00 C ATOM 502 O ILE A 35 3.904 -9.742 13.002 1.00 0.00 O ATOM 503 CB ILE A 35 1.864 -7.284 12.849 1.00 0.00 C ATOM 504 CG1 ILE A 35 1.575 -7.327 11.326 1.00 0.00 C ATOM 505 CG2 ILE A 35 3.147 -6.499 13.174 1.00 0.00 C ATOM 506 CD1 ILE A 35 2.775 -7.521 10.380 1.00 0.00 C ATOM 0 H ILE A 35 3.036 -8.236 15.157 1.00 0.00 H new ATOM 0 HA ILE A 35 0.765 -9.028 13.413 1.00 0.00 H new ATOM 0 HB ILE A 35 1.050 -6.720 13.304 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.867 -8.134 11.141 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.077 -6.397 11.052 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.121 -5.534 12.668 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.215 -6.342 14.251 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.015 -7.064 12.834 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.426 -7.532 9.347 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.482 -6.702 10.516 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.268 -8.467 10.606 1.00 0.00 H new ATOM 518 N LYS A 36 2.081 -10.600 12.012 1.00 0.00 N ATOM 519 CA LYS A 36 2.766 -11.529 11.101 1.00 0.00 C ATOM 520 C LYS A 36 2.135 -11.497 9.691 1.00 0.00 C ATOM 521 O LYS A 36 0.922 -11.335 9.558 1.00 0.00 O ATOM 522 CB LYS A 36 2.712 -12.944 11.714 1.00 0.00 C ATOM 523 CG LYS A 36 3.538 -13.962 10.912 1.00 0.00 C ATOM 524 CD LYS A 36 3.515 -15.356 11.546 1.00 0.00 C ATOM 525 CE LYS A 36 4.176 -16.388 10.621 1.00 0.00 C ATOM 526 NZ LYS A 36 5.626 -16.140 10.437 1.00 0.00 N ATOM 0 H LYS A 36 1.065 -10.678 11.960 1.00 0.00 H new ATOM 0 HA LYS A 36 3.806 -11.226 10.982 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.081 -12.907 12.739 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.675 -13.277 11.761 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.150 -14.021 9.895 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.569 -13.615 10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.036 -15.333 12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.486 -15.651 11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.031 -17.386 11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.682 -16.370 9.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.028 -16.873 9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.766 -15.206 10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.103 -16.167 11.361 1.00 0.00 H new ATOM 540 N VAL A 37 2.936 -11.681 8.639 1.00 0.00 N ATOM 541 CA VAL A 37 2.487 -11.774 7.237 1.00 0.00 C ATOM 542 C VAL A 37 3.226 -12.893 6.495 1.00 0.00 C ATOM 543 O VAL A 37 4.447 -12.876 6.352 1.00 0.00 O ATOM 544 CB VAL A 37 2.606 -10.422 6.489 1.00 0.00 C ATOM 545 CG1 VAL A 37 1.389 -9.546 6.799 1.00 0.00 C ATOM 546 CG2 VAL A 37 3.886 -9.630 6.800 1.00 0.00 C ATOM 0 H VAL A 37 3.947 -11.773 8.736 1.00 0.00 H new ATOM 0 HA VAL A 37 1.427 -12.026 7.257 1.00 0.00 H new ATOM 0 HB VAL A 37 2.652 -10.678 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.479 -8.597 6.270 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.482 -10.056 6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.339 -9.360 7.872 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.885 -8.699 6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.925 -9.406 7.866 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.757 -10.223 6.522 1.00 0.00 H new ATOM 556 N SER A 38 2.462 -13.883 6.031 1.00 0.00 N ATOM 557 CA SER A 38 2.958 -15.113 5.393 1.00 0.00 C ATOM 558 C SER A 38 2.882 -14.988 3.860 1.00 0.00 C ATOM 559 O SER A 38 1.953 -15.470 3.207 1.00 0.00 O ATOM 560 CB SER A 38 2.182 -16.334 5.918 1.00 0.00 C ATOM 561 OG SER A 38 2.299 -16.451 7.334 1.00 0.00 O ATOM 0 H SER A 38 1.444 -13.854 6.089 1.00 0.00 H new ATOM 0 HA SER A 38 4.006 -15.258 5.653 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.131 -16.245 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.560 -17.240 5.443 1.00 0.00 H new ATOM 0 HG SER A 38 1.795 -17.234 7.640 1.00 0.00 H new ATOM 567 N LEU A 39 3.863 -14.291 3.278 1.00 0.00 N ATOM 568 CA LEU A 39 3.956 -13.944 1.853 1.00 0.00 C ATOM 569 C LEU A 39 4.055 -15.137 0.878 1.00 0.00 C ATOM 570 O LEU A 39 3.843 -14.969 -0.324 1.00 0.00 O ATOM 571 CB LEU A 39 5.152 -12.987 1.666 1.00 0.00 C ATOM 572 CG LEU A 39 6.546 -13.641 1.820 1.00 0.00 C ATOM 573 CD1 LEU A 39 7.593 -12.728 1.165 1.00 0.00 C ATOM 574 CD2 LEU A 39 6.961 -13.892 3.280 1.00 0.00 C ATOM 0 H LEU A 39 4.655 -13.935 3.814 1.00 0.00 H new ATOM 0 HA LEU A 39 3.011 -13.470 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.086 -12.537 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.066 -12.177 2.390 1.00 0.00 H new ATOM 0 HG LEU A 39 6.488 -14.616 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.581 -13.177 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.357 -12.604 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.585 -11.755 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.949 -14.352 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.989 -12.945 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.240 -14.557 3.754 1.00 0.00 H new ATOM 586 N GLU A 40 4.394 -16.331 1.367 1.00 0.00 N ATOM 587 CA GLU A 40 4.421 -17.582 0.588 1.00 0.00 C ATOM 588 C GLU A 40 3.115 -18.385 0.709 1.00 0.00 C ATOM 589 O GLU A 40 3.025 -19.508 0.214 1.00 0.00 O ATOM 590 CB GLU A 40 5.660 -18.419 0.947 1.00 0.00 C ATOM 591 CG GLU A 40 5.701 -18.989 2.370 1.00 0.00 C ATOM 592 CD GLU A 40 6.006 -17.918 3.410 1.00 0.00 C ATOM 593 OE1 GLU A 40 7.204 -17.708 3.715 1.00 0.00 O ATOM 594 OE2 GLU A 40 5.037 -17.329 3.945 1.00 0.00 O ATOM 0 H GLU A 40 4.666 -16.464 2.341 1.00 0.00 H new ATOM 0 HA GLU A 40 4.498 -17.309 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.729 -19.248 0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.546 -17.801 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.743 -19.455 2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.457 -19.772 2.424 1.00 0.00 H new ATOM 601 N GLU A 41 2.125 -17.805 1.390 1.00 0.00 N ATOM 602 CA GLU A 41 0.758 -18.331 1.553 1.00 0.00 C ATOM 603 C GLU A 41 -0.338 -17.336 1.118 1.00 0.00 C ATOM 604 O GLU A 41 -1.432 -17.750 0.717 1.00 0.00 O ATOM 605 CB GLU A 41 0.505 -18.652 3.033 1.00 0.00 C ATOM 606 CG GLU A 41 1.543 -19.583 3.666 1.00 0.00 C ATOM 607 CD GLU A 41 1.212 -19.905 5.123 1.00 0.00 C ATOM 608 OE1 GLU A 41 0.024 -20.063 5.486 1.00 0.00 O ATOM 609 OE2 GLU A 41 2.163 -20.007 5.934 1.00 0.00 O ATOM 0 H GLU A 41 2.255 -16.913 1.868 1.00 0.00 H new ATOM 0 HA GLU A 41 0.700 -19.214 0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.481 -17.719 3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.480 -19.108 3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.596 -20.509 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.527 -19.118 3.612 1.00 0.00 H new ATOM 616 N LYS A 42 -0.064 -16.032 1.254 1.00 0.00 N ATOM 617 CA LYS A 42 -0.964 -14.884 1.058 1.00 0.00 C ATOM 618 C LYS A 42 -2.033 -14.772 2.164 1.00 0.00 C ATOM 619 O LYS A 42 -3.241 -14.759 1.911 1.00 0.00 O ATOM 620 CB LYS A 42 -1.513 -14.823 -0.374 1.00 0.00 C ATOM 621 CG LYS A 42 -0.383 -14.600 -1.395 1.00 0.00 C ATOM 622 CD LYS A 42 -0.929 -14.435 -2.814 1.00 0.00 C ATOM 623 CE LYS A 42 -1.585 -15.724 -3.317 1.00 0.00 C ATOM 624 NZ LYS A 42 -2.163 -15.544 -4.664 1.00 0.00 N ATOM 0 H LYS A 42 0.870 -15.726 1.527 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.368 -13.978 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.037 -15.750 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.242 -14.016 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.187 -13.713 -1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.306 -15.444 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.657 -13.624 -2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.119 -14.152 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.846 -16.525 -3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.366 -16.032 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.644 -16.419 -4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.848 -14.762 -4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.404 -15.324 -5.341 1.00 0.00 H new ATOM 638 N ASN A 43 -1.567 -14.682 3.413 1.00 0.00 N ATOM 639 CA ASN A 43 -2.373 -14.312 4.582 1.00 0.00 C ATOM 640 C ASN A 43 -1.589 -13.424 5.566 1.00 0.00 C ATOM 641 O ASN A 43 -0.356 -13.405 5.567 1.00 0.00 O ATOM 642 CB ASN A 43 -2.952 -15.554 5.285 1.00 0.00 C ATOM 643 CG ASN A 43 -1.900 -16.516 5.828 1.00 0.00 C ATOM 644 OD1 ASN A 43 -1.192 -16.208 6.776 1.00 0.00 O ATOM 645 ND2 ASN A 43 -1.771 -17.687 5.236 1.00 0.00 N ATOM 0 H ASN A 43 -0.592 -14.870 3.646 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.211 -13.720 4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.588 -15.228 6.108 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.590 -16.090 4.582 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.072 -18.352 5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.370 -17.928 4.446 1.00 0.00 H new ATOM 652 N ALA A 44 -2.331 -12.695 6.398 1.00 0.00 N ATOM 653 CA ALA A 44 -1.854 -11.818 7.461 1.00 0.00 C ATOM 654 C ALA A 44 -2.473 -12.275 8.793 1.00 0.00 C ATOM 655 O ALA A 44 -3.700 -12.355 8.888 1.00 0.00 O ATOM 656 CB ALA A 44 -2.287 -10.390 7.084 1.00 0.00 C ATOM 0 H ALA A 44 -3.349 -12.703 6.342 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.771 -11.849 7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.952 -9.693 7.852 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.843 -10.116 6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.373 -10.348 7.005 1.00 0.00 H new ATOM 662 N THR A 45 -1.654 -12.576 9.807 1.00 0.00 N ATOM 663 CA THR A 45 -2.092 -13.090 11.119 1.00 0.00 C ATOM 664 C THR A 45 -1.711 -12.086 12.196 1.00 0.00 C ATOM 665 O THR A 45 -0.562 -11.658 12.261 1.00 0.00 O ATOM 666 CB THR A 45 -1.457 -14.453 11.423 1.00 0.00 C ATOM 667 OG1 THR A 45 -1.622 -15.313 10.322 1.00 0.00 O ATOM 668 CG2 THR A 45 -2.122 -15.120 12.626 1.00 0.00 C ATOM 0 H THR A 45 -0.642 -12.468 9.741 1.00 0.00 H new ATOM 0 HA THR A 45 -3.173 -13.225 11.100 1.00 0.00 H new ATOM 0 HB THR A 45 -0.402 -14.279 11.634 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.213 -16.181 10.521 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.649 -16.084 12.815 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.010 -14.483 13.503 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.182 -15.270 12.419 1.00 0.00 H new ATOM 676 N ILE A 46 -2.650 -11.703 13.057 1.00 0.00 N ATOM 677 CA ILE A 46 -2.461 -10.594 14.006 1.00 0.00 C ATOM 678 C ILE A 46 -3.157 -10.838 15.349 1.00 0.00 C ATOM 679 O ILE A 46 -4.279 -11.356 15.414 1.00 0.00 O ATOM 680 CB ILE A 46 -2.876 -9.256 13.336 1.00 0.00 C ATOM 681 CG1 ILE A 46 -2.579 -8.023 14.225 1.00 0.00 C ATOM 682 CG2 ILE A 46 -4.348 -9.270 12.892 1.00 0.00 C ATOM 683 CD1 ILE A 46 -3.026 -6.677 13.646 1.00 0.00 C ATOM 0 H ILE A 46 -3.565 -12.148 13.122 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.402 -10.530 14.255 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.256 -9.163 12.444 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.066 -8.165 15.190 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.506 -7.981 14.413 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.597 -8.316 12.428 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.504 -10.074 12.173 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.988 -9.430 13.760 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.773 -5.879 14.344 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.520 -6.503 12.697 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.104 -6.690 13.485 1.00 0.00 H new ATOM 695 N ILE A 47 -2.493 -10.397 16.420 1.00 0.00 N ATOM 696 CA ILE A 47 -3.064 -10.211 17.760 1.00 0.00 C ATOM 697 C ILE A 47 -3.078 -8.718 18.107 1.00 0.00 C ATOM 698 O ILE A 47 -2.054 -8.045 17.974 1.00 0.00 O ATOM 699 CB ILE A 47 -2.277 -11.022 18.820 1.00 0.00 C ATOM 700 CG1 ILE A 47 -2.190 -12.518 18.433 1.00 0.00 C ATOM 701 CG2 ILE A 47 -2.958 -10.851 20.189 1.00 0.00 C ATOM 702 CD1 ILE A 47 -1.607 -13.430 19.520 1.00 0.00 C ATOM 0 H ILE A 47 -1.504 -10.150 16.378 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.088 -10.585 17.762 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.256 -10.643 18.871 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.189 -12.872 18.179 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.580 -12.612 17.534 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.410 -11.419 20.941 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.964 -9.796 20.463 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.983 -11.217 20.134 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.585 -14.458 19.159 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.594 -13.108 19.760 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.227 -13.372 20.414 1.00 0.00 H new ATOM 714 N TYR A 48 -4.212 -8.212 18.596 1.00 0.00 N ATOM 715 CA TYR A 48 -4.422 -6.813 18.985 1.00 0.00 C ATOM 716 C TYR A 48 -5.272 -6.653 20.263 1.00 0.00 C ATOM 717 O TYR A 48 -6.063 -7.521 20.624 1.00 0.00 O ATOM 718 CB TYR A 48 -5.037 -6.041 17.803 1.00 0.00 C ATOM 719 CG TYR A 48 -6.414 -6.513 17.360 1.00 0.00 C ATOM 720 CD1 TYR A 48 -7.571 -5.978 17.959 1.00 0.00 C ATOM 721 CD2 TYR A 48 -6.541 -7.483 16.344 1.00 0.00 C ATOM 722 CE1 TYR A 48 -8.848 -6.408 17.552 1.00 0.00 C ATOM 723 CE2 TYR A 48 -7.814 -7.922 15.936 1.00 0.00 C ATOM 724 CZ TYR A 48 -8.971 -7.382 16.538 1.00 0.00 C ATOM 725 OH TYR A 48 -10.195 -7.816 16.144 1.00 0.00 O ATOM 0 H TYR A 48 -5.043 -8.787 18.738 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.447 -6.392 19.232 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.103 -4.987 18.074 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.358 -6.110 16.953 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.478 -5.233 18.735 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.657 -7.891 15.877 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.732 -5.994 18.015 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.906 -8.671 15.163 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.092 -8.486 15.436 1.00 0.00 H new ATOM 735 N ASP A 49 -5.114 -5.514 20.940 1.00 0.00 N ATOM 736 CA ASP A 49 -5.906 -5.088 22.097 1.00 0.00 C ATOM 737 C ASP A 49 -7.289 -4.559 21.650 1.00 0.00 C ATOM 738 O ASP A 49 -7.347 -3.525 20.973 1.00 0.00 O ATOM 739 CB ASP A 49 -5.109 -4.002 22.844 1.00 0.00 C ATOM 740 CG ASP A 49 -5.760 -3.468 24.122 1.00 0.00 C ATOM 741 OD1 ASP A 49 -6.820 -3.982 24.547 1.00 0.00 O ATOM 742 OD2 ASP A 49 -5.180 -2.540 24.730 1.00 0.00 O ATOM 0 H ASP A 49 -4.399 -4.833 20.686 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.089 -5.933 22.760 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.129 -4.405 23.098 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.943 -3.166 22.165 1.00 0.00 H new ATOM 747 N PRO A 50 -8.403 -5.218 22.021 1.00 0.00 N ATOM 748 CA PRO A 50 -9.747 -4.823 21.601 1.00 0.00 C ATOM 749 C PRO A 50 -10.264 -3.543 22.284 1.00 0.00 C ATOM 750 O PRO A 50 -11.324 -3.048 21.901 1.00 0.00 O ATOM 751 CB PRO A 50 -10.629 -6.037 21.909 1.00 0.00 C ATOM 752 CG PRO A 50 -9.939 -6.660 23.120 1.00 0.00 C ATOM 753 CD PRO A 50 -8.465 -6.450 22.797 1.00 0.00 C ATOM 0 HA PRO A 50 -9.756 -4.560 20.543 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.655 -5.745 22.134 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.672 -6.729 21.068 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.226 -6.168 24.049 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.185 -7.716 23.230 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.872 -6.369 23.708 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.065 -7.290 22.230 1.00 0.00 H new ATOM 761 N LYS A 51 -9.547 -2.970 23.265 1.00 0.00 N ATOM 762 CA LYS A 51 -9.941 -1.698 23.894 1.00 0.00 C ATOM 763 C LYS A 51 -9.877 -0.499 22.922 1.00 0.00 C ATOM 764 O LYS A 51 -10.690 0.420 23.042 1.00 0.00 O ATOM 765 CB LYS A 51 -9.094 -1.449 25.160 1.00 0.00 C ATOM 766 CG LYS A 51 -9.372 -2.491 26.260 1.00 0.00 C ATOM 767 CD LYS A 51 -8.760 -2.144 27.629 1.00 0.00 C ATOM 768 CE LYS A 51 -7.239 -1.922 27.653 1.00 0.00 C ATOM 769 NZ LYS A 51 -6.473 -3.143 27.317 1.00 0.00 N ATOM 0 H LYS A 51 -8.687 -3.370 23.641 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.988 -1.788 24.182 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.036 -1.473 24.898 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.304 -0.451 25.545 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.450 -2.602 26.375 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.984 -3.457 25.936 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.244 -1.242 28.003 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.001 -2.947 28.326 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.981 -1.132 26.948 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.943 -1.575 28.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.464 -2.907 27.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.602 -3.851 28.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.815 -3.530 26.414 1.00 0.00 H new ATOM 783 N LEU A 52 -8.946 -0.509 21.953 1.00 0.00 N ATOM 784 CA LEU A 52 -8.683 0.597 21.020 1.00 0.00 C ATOM 785 C LEU A 52 -8.460 0.176 19.552 1.00 0.00 C ATOM 786 O LEU A 52 -7.914 0.959 18.773 1.00 0.00 O ATOM 787 CB LEU A 52 -7.566 1.489 21.585 1.00 0.00 C ATOM 788 CG LEU A 52 -6.122 0.962 21.514 1.00 0.00 C ATOM 789 CD1 LEU A 52 -5.266 1.931 22.322 1.00 0.00 C ATOM 790 CD2 LEU A 52 -5.984 -0.445 22.095 1.00 0.00 C ATOM 0 H LEU A 52 -8.338 -1.312 21.794 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.599 1.185 20.953 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.601 2.443 21.059 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.797 1.693 22.630 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.810 0.899 20.472 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.227 1.601 22.304 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.338 2.928 21.888 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.620 1.957 23.353 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.946 -0.769 22.020 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.287 -0.438 23.142 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.620 -1.133 21.538 1.00 0.00 H new ATOM 802 N GLN A 53 -8.852 -1.041 19.158 1.00 0.00 N ATOM 803 CA GLN A 53 -8.639 -1.569 17.806 1.00 0.00 C ATOM 804 C GLN A 53 -9.738 -2.589 17.436 1.00 0.00 C ATOM 805 O GLN A 53 -10.208 -3.342 18.294 1.00 0.00 O ATOM 806 CB GLN A 53 -7.198 -2.122 17.727 1.00 0.00 C ATOM 807 CG GLN A 53 -6.746 -2.579 16.327 1.00 0.00 C ATOM 808 CD GLN A 53 -5.217 -2.633 16.158 1.00 0.00 C ATOM 809 OE1 GLN A 53 -4.422 -2.242 17.001 1.00 0.00 O ATOM 810 NE2 GLN A 53 -4.717 -3.086 15.030 1.00 0.00 N ATOM 0 H GLN A 53 -9.332 -1.695 19.777 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.729 -0.785 17.054 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.511 -1.353 18.080 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.112 -2.965 18.412 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.160 -3.567 16.126 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.161 -1.901 15.581 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.339 -3.424 14.296 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.707 -3.100 14.889 1.00 0.00 H new ATOM 819 N THR A 54 -10.165 -2.593 16.162 1.00 0.00 N ATOM 820 CA THR A 54 -11.247 -3.443 15.619 1.00 0.00 C ATOM 821 C THR A 54 -10.833 -4.096 14.294 1.00 0.00 C ATOM 822 O THR A 54 -9.923 -3.573 13.642 1.00 0.00 O ATOM 823 CB THR A 54 -12.537 -2.640 15.382 1.00 0.00 C ATOM 824 OG1 THR A 54 -12.305 -1.648 14.409 1.00 0.00 O ATOM 825 CG2 THR A 54 -13.114 -2.016 16.649 1.00 0.00 C ATOM 0 H THR A 54 -9.754 -1.984 15.454 1.00 0.00 H new ATOM 0 HA THR A 54 -11.434 -4.214 16.367 1.00 0.00 H new ATOM 0 HB THR A 54 -13.287 -3.349 15.030 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.129 -1.139 14.258 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.022 -1.466 16.403 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.349 -2.802 17.367 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.383 -1.334 17.084 1.00 0.00 H new ATOM 833 N PRO A 55 -11.505 -5.176 13.838 1.00 0.00 N ATOM 834 CA PRO A 55 -11.231 -5.777 12.534 1.00 0.00 C ATOM 835 C PRO A 55 -11.456 -4.803 11.366 1.00 0.00 C ATOM 836 O PRO A 55 -10.742 -4.868 10.366 1.00 0.00 O ATOM 837 CB PRO A 55 -12.147 -6.999 12.424 1.00 0.00 C ATOM 838 CG PRO A 55 -12.655 -7.265 13.837 1.00 0.00 C ATOM 839 CD PRO A 55 -12.569 -5.903 14.519 1.00 0.00 C ATOM 0 HA PRO A 55 -10.179 -6.055 12.466 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.974 -6.808 11.741 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.605 -7.861 12.035 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.677 -7.645 13.830 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.043 -8.008 14.349 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.516 -5.369 14.443 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.349 -6.012 15.581 1.00 0.00 H new ATOM 847 N LYS A 56 -12.387 -3.848 11.495 1.00 0.00 N ATOM 848 CA LYS A 56 -12.560 -2.774 10.511 1.00 0.00 C ATOM 849 C LYS A 56 -11.287 -1.918 10.371 1.00 0.00 C ATOM 850 O LYS A 56 -10.872 -1.614 9.251 1.00 0.00 O ATOM 851 CB LYS A 56 -13.787 -1.934 10.911 1.00 0.00 C ATOM 852 CG LYS A 56 -14.176 -0.847 9.896 1.00 0.00 C ATOM 853 CD LYS A 56 -14.621 -1.424 8.547 1.00 0.00 C ATOM 854 CE LYS A 56 -15.070 -0.302 7.607 1.00 0.00 C ATOM 855 NZ LYS A 56 -15.431 -0.841 6.280 1.00 0.00 N ATOM 0 H LYS A 56 -13.037 -3.799 12.280 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.733 -3.207 9.526 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.637 -2.601 11.053 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.589 -1.461 11.873 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.982 -0.241 10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.326 -0.182 9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.800 -1.980 8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.438 -2.129 8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.925 0.219 8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.271 0.431 7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.732 -0.063 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.606 -1.317 5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.209 -1.523 6.382 1.00 0.00 H new ATOM 869 N THR A 57 -10.616 -1.604 11.487 1.00 0.00 N ATOM 870 CA THR A 57 -9.340 -0.860 11.532 1.00 0.00 C ATOM 871 C THR A 57 -8.186 -1.646 10.914 1.00 0.00 C ATOM 872 O THR A 57 -7.311 -1.039 10.298 1.00 0.00 O ATOM 873 CB THR A 57 -9.030 -0.454 12.977 1.00 0.00 C ATOM 874 OG1 THR A 57 -10.172 0.171 13.505 1.00 0.00 O ATOM 875 CG2 THR A 57 -7.880 0.540 13.093 1.00 0.00 C ATOM 0 H THR A 57 -10.952 -1.866 12.414 1.00 0.00 H new ATOM 0 HA THR A 57 -9.453 0.039 10.926 1.00 0.00 H new ATOM 0 HB THR A 57 -8.746 -1.360 13.512 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.795 -0.510 13.834 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.714 0.784 14.142 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.975 0.099 12.676 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.128 1.449 12.544 1.00 0.00 H new ATOM 883 N LEU A 58 -8.204 -2.982 11.003 1.00 0.00 N ATOM 884 CA LEU A 58 -7.260 -3.853 10.291 1.00 0.00 C ATOM 885 C LEU A 58 -7.489 -3.777 8.772 1.00 0.00 C ATOM 886 O LEU A 58 -6.546 -3.526 8.028 1.00 0.00 O ATOM 887 CB LEU A 58 -7.395 -5.307 10.790 1.00 0.00 C ATOM 888 CG LEU A 58 -6.599 -5.705 12.046 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.821 -4.819 13.273 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.992 -7.133 12.443 1.00 0.00 C ATOM 0 H LEU A 58 -8.878 -3.492 11.574 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.247 -3.508 10.498 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.450 -5.499 10.986 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.096 -5.970 9.978 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.551 -5.598 11.766 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.214 -5.186 14.101 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.533 -3.794 13.039 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.874 -4.845 13.555 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.436 -7.430 13.332 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.061 -7.171 12.654 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.759 -7.815 11.625 1.00 0.00 H new ATOM 902 N GLN A 59 -8.729 -3.948 8.309 1.00 0.00 N ATOM 903 CA GLN A 59 -9.090 -3.860 6.885 1.00 0.00 C ATOM 904 C GLN A 59 -8.745 -2.482 6.286 1.00 0.00 C ATOM 905 O GLN A 59 -8.180 -2.412 5.193 1.00 0.00 O ATOM 906 CB GLN A 59 -10.592 -4.162 6.735 1.00 0.00 C ATOM 907 CG GLN A 59 -10.947 -5.635 7.003 1.00 0.00 C ATOM 908 CD GLN A 59 -10.646 -6.517 5.794 1.00 0.00 C ATOM 909 OE1 GLN A 59 -9.534 -6.983 5.611 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.602 -6.736 4.919 1.00 0.00 N ATOM 0 H GLN A 59 -9.523 -4.154 8.916 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.506 -4.595 6.330 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.153 -3.529 7.423 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.910 -3.897 5.727 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.384 -5.994 7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.004 -5.714 7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.532 -6.346 5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.414 -7.296 4.087 1.00 0.00 H new ATOM 919 N GLU A 60 -9.021 -1.404 7.030 1.00 0.00 N ATOM 920 CA GLU A 60 -8.723 -0.009 6.687 1.00 0.00 C ATOM 921 C GLU A 60 -7.214 0.297 6.604 1.00 0.00 C ATOM 922 O GLU A 60 -6.820 1.228 5.894 1.00 0.00 O ATOM 923 CB GLU A 60 -9.429 0.873 7.736 1.00 0.00 C ATOM 924 CG GLU A 60 -9.292 2.380 7.504 1.00 0.00 C ATOM 925 CD GLU A 60 -10.300 3.157 8.351 1.00 0.00 C ATOM 926 OE1 GLU A 60 -11.467 3.287 7.913 1.00 0.00 O ATOM 927 OE2 GLU A 60 -9.948 3.639 9.456 1.00 0.00 O ATOM 0 H GLU A 60 -9.483 -1.486 7.936 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.093 0.201 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.488 0.617 7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.028 0.633 8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.280 2.700 7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.448 2.605 6.449 1.00 0.00 H new ATOM 934 N ALA A 61 -6.359 -0.486 7.275 1.00 0.00 N ATOM 935 CA ALA A 61 -4.902 -0.401 7.135 1.00 0.00 C ATOM 936 C ALA A 61 -4.435 -0.911 5.761 1.00 0.00 C ATOM 937 O ALA A 61 -3.516 -0.344 5.170 1.00 0.00 O ATOM 938 CB ALA A 61 -4.248 -1.207 8.268 1.00 0.00 C ATOM 0 H ALA A 61 -6.663 -1.202 7.935 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.600 0.644 7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.163 -1.152 8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.551 -0.794 9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.565 -2.248 8.204 1.00 0.00 H new ATOM 944 N ILE A 62 -5.058 -1.989 5.264 1.00 0.00 N ATOM 945 CA ILE A 62 -4.779 -2.576 3.941 1.00 0.00 C ATOM 946 C ILE A 62 -5.321 -1.726 2.787 1.00 0.00 C ATOM 947 O ILE A 62 -4.710 -1.685 1.720 1.00 0.00 O ATOM 948 CB ILE A 62 -5.315 -4.029 3.836 1.00 0.00 C ATOM 949 CG1 ILE A 62 -5.060 -4.913 5.078 1.00 0.00 C ATOM 950 CG2 ILE A 62 -4.721 -4.708 2.585 1.00 0.00 C ATOM 951 CD1 ILE A 62 -3.605 -4.962 5.558 1.00 0.00 C ATOM 0 H ILE A 62 -5.784 -2.488 5.778 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.693 -2.597 3.847 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.399 -3.937 3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.683 -4.551 5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.386 -5.929 4.854 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.097 -5.728 2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.011 -4.149 1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.634 -4.727 2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.532 -5.608 6.433 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.973 -5.356 4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.274 -3.957 5.820 1.00 0.00 H new ATOM 963 N ASP A 63 -6.479 -1.088 2.971 1.00 0.00 N ATOM 964 CA ASP A 63 -7.242 -0.407 1.911 1.00 0.00 C ATOM 965 C ASP A 63 -6.506 0.808 1.303 1.00 0.00 C ATOM 966 O ASP A 63 -6.744 1.150 0.145 1.00 0.00 O ATOM 967 CB ASP A 63 -8.618 -0.020 2.491 1.00 0.00 C ATOM 968 CG ASP A 63 -9.714 0.225 1.445 1.00 0.00 C ATOM 969 OD1 ASP A 63 -9.583 1.129 0.590 1.00 0.00 O ATOM 970 OD2 ASP A 63 -10.745 -0.486 1.491 1.00 0.00 O ATOM 0 H ASP A 63 -6.928 -1.026 3.885 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.364 -1.093 1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.948 -0.812 3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.502 0.882 3.093 1.00 0.00 H new ATOM 975 N ASP A 64 -5.564 1.403 2.047 1.00 0.00 N ATOM 976 CA ASP A 64 -4.638 2.448 1.578 1.00 0.00 C ATOM 977 C ASP A 64 -3.842 2.010 0.334 1.00 0.00 C ATOM 978 O ASP A 64 -3.694 2.792 -0.608 1.00 0.00 O ATOM 979 CB ASP A 64 -3.630 2.773 2.698 1.00 0.00 C ATOM 980 CG ASP A 64 -4.074 3.835 3.704 1.00 0.00 C ATOM 981 OD1 ASP A 64 -5.292 4.060 3.907 1.00 0.00 O ATOM 982 OD2 ASP A 64 -3.177 4.450 4.325 1.00 0.00 O ATOM 0 H ASP A 64 -5.419 1.163 3.028 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.240 3.318 1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.410 1.854 3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.698 3.102 2.238 1.00 0.00 H new ATOM 987 N MET A 65 -3.361 0.760 0.331 1.00 0.00 N ATOM 988 CA MET A 65 -2.678 0.128 -0.801 1.00 0.00 C ATOM 989 C MET A 65 -3.702 -0.339 -1.862 1.00 0.00 C ATOM 990 O MET A 65 -4.892 -0.015 -1.819 1.00 0.00 O ATOM 991 CB MET A 65 -1.774 -1.032 -0.297 1.00 0.00 C ATOM 992 CG MET A 65 -0.555 -0.611 0.547 1.00 0.00 C ATOM 993 SD MET A 65 -0.879 -0.120 2.262 1.00 0.00 S ATOM 994 CE MET A 65 -1.151 -1.753 2.989 1.00 0.00 C ATOM 0 H MET A 65 -3.440 0.144 1.140 1.00 0.00 H new ATOM 0 HA MET A 65 -2.031 0.858 -1.287 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.385 -1.713 0.295 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.418 -1.593 -1.161 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.153 -1.440 0.559 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.063 0.221 0.043 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.504 -1.641 4.014 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.897 -2.292 2.405 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.216 -2.313 2.987 1.00 0.00 H new ATOM 1004 N GLY A 66 -3.233 -1.125 -2.833 1.00 0.00 N ATOM 1005 CA GLY A 66 -4.056 -1.847 -3.807 1.00 0.00 C ATOM 1006 C GLY A 66 -3.977 -3.353 -3.578 1.00 0.00 C ATOM 1007 O GLY A 66 -3.541 -4.072 -4.477 1.00 0.00 O ATOM 0 H GLY A 66 -2.234 -1.282 -2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.092 -1.517 -3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.722 -1.611 -4.817 1.00 0.00 H new ATOM 1011 N PHE A 67 -4.341 -3.808 -2.373 1.00 0.00 N ATOM 1012 CA PHE A 67 -4.225 -5.200 -1.929 1.00 0.00 C ATOM 1013 C PHE A 67 -5.583 -5.739 -1.451 1.00 0.00 C ATOM 1014 O PHE A 67 -6.268 -5.088 -0.658 1.00 0.00 O ATOM 1015 CB PHE A 67 -3.204 -5.288 -0.779 1.00 0.00 C ATOM 1016 CG PHE A 67 -1.745 -4.953 -1.066 1.00 0.00 C ATOM 1017 CD1 PHE A 67 -1.147 -5.237 -2.312 1.00 0.00 C ATOM 1018 CD2 PHE A 67 -0.944 -4.460 -0.017 1.00 0.00 C ATOM 1019 CE1 PHE A 67 0.235 -5.051 -2.491 1.00 0.00 C ATOM 1020 CE2 PHE A 67 0.433 -4.250 -0.206 1.00 0.00 C ATOM 1021 CZ PHE A 67 1.026 -4.551 -1.444 1.00 0.00 C ATOM 0 H PHE A 67 -4.737 -3.197 -1.658 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.890 -5.805 -2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.545 -4.625 0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.238 -6.303 -0.384 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.752 -5.598 -3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.392 -4.241 0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.691 -5.294 -3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.035 -3.857 0.600 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.085 -4.398 -1.590 1.00 0.00 H new ATOM 1031 N ASP A 68 -5.963 -6.937 -1.900 1.00 0.00 N ATOM 1032 CA ASP A 68 -7.264 -7.539 -1.593 1.00 0.00 C ATOM 1033 C ASP A 68 -7.250 -8.289 -0.256 1.00 0.00 C ATOM 1034 O ASP A 68 -6.360 -9.110 -0.010 1.00 0.00 O ATOM 1035 CB ASP A 68 -7.720 -8.455 -2.739 1.00 0.00 C ATOM 1036 CG ASP A 68 -9.108 -9.042 -2.467 1.00 0.00 C ATOM 1037 OD1 ASP A 68 -10.068 -8.252 -2.322 1.00 0.00 O ATOM 1038 OD2 ASP A 68 -9.237 -10.288 -2.395 1.00 0.00 O ATOM 0 H ASP A 68 -5.373 -7.522 -2.491 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.985 -6.728 -1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.738 -7.892 -3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.001 -9.263 -2.869 1.00 0.00 H new ATOM 1043 N ALA A 69 -8.263 -8.041 0.583 1.00 0.00 N ATOM 1044 CA ALA A 69 -8.316 -8.491 1.973 1.00 0.00 C ATOM 1045 C ALA A 69 -9.757 -8.722 2.464 1.00 0.00 C ATOM 1046 O ALA A 69 -10.601 -7.829 2.372 1.00 0.00 O ATOM 1047 CB ALA A 69 -7.620 -7.422 2.824 1.00 0.00 C ATOM 0 H ALA A 69 -9.087 -7.509 0.304 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.814 -9.454 2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.639 -7.722 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.586 -7.312 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.140 -6.471 2.710 1.00 0.00 H new ATOM 1053 N VAL A 70 -10.014 -9.906 3.017 1.00 0.00 N ATOM 1054 CA VAL A 70 -11.274 -10.354 3.627 1.00 0.00 C ATOM 1055 C VAL A 70 -10.913 -11.078 4.930 1.00 0.00 C ATOM 1056 O VAL A 70 -9.836 -11.675 5.031 1.00 0.00 O ATOM 1057 CB VAL A 70 -12.048 -11.310 2.681 1.00 0.00 C ATOM 1058 CG1 VAL A 70 -13.462 -11.609 3.203 1.00 0.00 C ATOM 1059 CG2 VAL A 70 -12.189 -10.722 1.265 1.00 0.00 C ATOM 0 H VAL A 70 -9.299 -10.632 3.056 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.922 -9.499 3.818 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.462 -12.228 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.970 -12.282 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.396 -12.079 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.024 -10.679 3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.737 -11.422 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.731 -9.778 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.199 -10.550 0.842 1.00 0.00 H new ATOM 1069 N ILE A 71 -11.769 -11.006 5.950 1.00 0.00 N ATOM 1070 CA ILE A 71 -11.455 -11.576 7.268 1.00 0.00 C ATOM 1071 C ILE A 71 -11.682 -13.093 7.270 1.00 0.00 C ATOM 1072 O ILE A 71 -12.688 -13.591 6.758 1.00 0.00 O ATOM 1073 CB ILE A 71 -12.213 -10.835 8.391 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -11.820 -9.334 8.389 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -11.870 -11.482 9.748 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -12.694 -8.446 9.275 1.00 0.00 C ATOM 0 H ILE A 71 -12.685 -10.560 5.893 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.396 -11.425 7.477 1.00 0.00 H new ATOM 0 HB ILE A 71 -13.287 -10.911 8.223 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.784 -9.243 8.715 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.866 -8.961 7.366 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.403 -10.962 10.544 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.168 -12.531 9.737 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.797 -11.411 9.924 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.347 -7.415 9.212 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.729 -8.502 8.938 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.630 -8.788 10.308 1.00 0.00 H new ATOM 1088 N HIS A 72 -10.738 -13.831 7.848 1.00 0.00 N ATOM 1089 CA HIS A 72 -10.677 -15.286 7.793 1.00 0.00 C ATOM 1090 C HIS A 72 -10.107 -15.874 9.108 1.00 0.00 C ATOM 1091 O HIS A 72 -10.164 -15.227 10.159 1.00 0.00 O ATOM 1092 CB HIS A 72 -9.855 -15.642 6.537 1.00 0.00 C ATOM 1093 CG HIS A 72 -10.084 -17.038 6.023 1.00 0.00 C ATOM 1094 ND1 HIS A 72 -9.122 -17.969 5.711 1.00 0.00 N ATOM 1095 CD2 HIS A 72 -11.295 -17.576 5.690 1.00 0.00 C ATOM 1096 CE1 HIS A 72 -9.734 -19.046 5.194 1.00 0.00 C ATOM 1097 NE2 HIS A 72 -11.065 -18.846 5.134 1.00 0.00 N ATOM 0 H HIS A 72 -9.973 -13.420 8.383 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.667 -15.733 7.709 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -10.096 -14.932 5.746 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.796 -15.520 6.763 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.258 -17.108 5.829 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -9.231 -19.946 4.872 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -11.765 -19.487 4.760 1.00 0.00 H new ATOM 1105 N ASN A 73 -9.549 -17.092 9.062 1.00 0.00 N ATOM 1106 CA ASN A 73 -9.036 -17.829 10.224 1.00 0.00 C ATOM 1107 C ASN A 73 -7.756 -18.620 9.914 1.00 0.00 C ATOM 1108 O ASN A 73 -6.796 -18.512 10.712 1.00 0.00 O ATOM 1109 CB ASN A 73 -10.179 -18.686 10.819 1.00 0.00 C ATOM 1110 CG ASN A 73 -10.789 -19.709 9.873 1.00 0.00 C ATOM 1111 OD1 ASN A 73 -10.377 -20.858 9.801 1.00 0.00 O ATOM 1112 ND2 ASN A 73 -11.791 -19.335 9.118 1.00 0.00 N ATOM 1113 OXT ASN A 73 -7.665 -19.282 8.853 1.00 0.00 O ATOM 0 H ASN A 73 -9.439 -17.607 8.188 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.717 -17.119 10.987 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.799 -19.209 11.696 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.969 -18.019 11.163 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.222 -20.000 8.476 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.141 -18.378 9.172 1.00 0.00 H new TER 1120 ASN A 73 ATOM 1121 N MET B 74 -3.447 16.942 -21.286 1.00 0.00 N ATOM 1122 CA MET B 74 -3.181 17.375 -19.899 1.00 0.00 C ATOM 1123 C MET B 74 -1.679 17.572 -19.691 1.00 0.00 C ATOM 1124 O MET B 74 -0.900 17.049 -20.492 1.00 0.00 O ATOM 1125 CB MET B 74 -3.772 16.396 -18.867 1.00 0.00 C ATOM 1126 CG MET B 74 -5.301 16.405 -18.882 1.00 0.00 C ATOM 1127 SD MET B 74 -6.026 18.041 -18.603 1.00 0.00 S ATOM 1128 CE MET B 74 -7.767 17.653 -18.919 1.00 0.00 C ATOM 0 HA MET B 74 -3.681 18.330 -19.740 1.00 0.00 H new ATOM 0 HB2 MET B 74 -3.413 15.388 -19.076 1.00 0.00 H new ATOM 0 HB3 MET B 74 -3.417 16.661 -17.871 1.00 0.00 H new ATOM 0 HG2 MET B 74 -5.648 16.023 -19.842 1.00 0.00 H new ATOM 0 HG3 MET B 74 -5.666 15.721 -18.116 1.00 0.00 H new ATOM 0 HE1 MET B 74 -8.388 18.498 -18.622 1.00 0.00 H new ATOM 0 HE2 MET B 74 -7.908 17.454 -19.981 1.00 0.00 H new ATOM 0 HE3 MET B 74 -8.054 16.773 -18.344 1.00 0.00 H new ATOM 1140 N PRO B 75 -1.261 18.318 -18.649 1.00 0.00 N ATOM 1141 CA PRO B 75 0.135 18.419 -18.238 1.00 0.00 C ATOM 1142 C PRO B 75 0.759 17.041 -18.013 1.00 0.00 C ATOM 1143 O PRO B 75 0.138 16.157 -17.424 1.00 0.00 O ATOM 1144 CB PRO B 75 0.134 19.263 -16.960 1.00 0.00 C ATOM 1145 CG PRO B 75 -1.089 20.154 -17.162 1.00 0.00 C ATOM 1146 CD PRO B 75 -2.078 19.199 -17.827 1.00 0.00 C ATOM 0 HA PRO B 75 0.744 18.884 -19.013 1.00 0.00 H new ATOM 0 HB2 PRO B 75 0.045 18.647 -16.065 1.00 0.00 H new ATOM 0 HB3 PRO B 75 1.049 19.846 -16.856 1.00 0.00 H new ATOM 0 HG2 PRO B 75 -1.470 20.542 -16.218 1.00 0.00 H new ATOM 0 HG3 PRO B 75 -0.866 21.014 -17.793 1.00 0.00 H new ATOM 0 HD2 PRO B 75 -2.641 18.635 -17.084 1.00 0.00 H new ATOM 0 HD3 PRO B 75 -2.804 19.742 -18.432 1.00 0.00 H new ATOM 1154 N LYS B 76 1.988 16.871 -18.503 1.00 0.00 N ATOM 1155 CA LYS B 76 2.749 15.619 -18.449 1.00 0.00 C ATOM 1156 C LYS B 76 4.014 15.777 -17.583 1.00 0.00 C ATOM 1157 O LYS B 76 4.691 16.811 -17.626 1.00 0.00 O ATOM 1158 CB LYS B 76 3.061 15.197 -19.895 1.00 0.00 C ATOM 1159 CG LYS B 76 3.628 13.775 -19.957 1.00 0.00 C ATOM 1160 CD LYS B 76 4.122 13.426 -21.359 1.00 0.00 C ATOM 1161 CE LYS B 76 4.729 12.024 -21.329 1.00 0.00 C ATOM 1162 NZ LYS B 76 5.422 11.714 -22.604 1.00 0.00 N ATOM 0 H LYS B 76 2.499 17.624 -18.963 1.00 0.00 H new ATOM 0 HA LYS B 76 2.167 14.832 -17.970 1.00 0.00 H new ATOM 0 HB2 LYS B 76 2.153 15.254 -20.495 1.00 0.00 H new ATOM 0 HB3 LYS B 76 3.776 15.894 -20.332 1.00 0.00 H new ATOM 0 HG2 LYS B 76 4.450 13.679 -19.247 1.00 0.00 H new ATOM 0 HG3 LYS B 76 2.860 13.063 -19.654 1.00 0.00 H new ATOM 0 HD2 LYS B 76 3.298 13.466 -22.071 1.00 0.00 H new ATOM 0 HD3 LYS B 76 4.864 14.152 -21.690 1.00 0.00 H new ATOM 0 HE2 LYS B 76 5.433 11.947 -20.501 1.00 0.00 H new ATOM 0 HE3 LYS B 76 3.945 11.289 -21.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 5.825 10.756 -22.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 4.743 11.765 -23.390 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 6.185 12.403 -22.761 1.00 0.00 H new ATOM 1176 N HIS B 77 4.342 14.770 -16.781 1.00 0.00 N ATOM 1177 CA HIS B 77 5.263 14.894 -15.641 1.00 0.00 C ATOM 1178 C HIS B 77 5.881 13.538 -15.233 1.00 0.00 C ATOM 1179 O HIS B 77 5.401 12.480 -15.653 1.00 0.00 O ATOM 1180 CB HIS B 77 4.551 15.626 -14.474 1.00 0.00 C ATOM 1181 CG HIS B 77 3.054 15.407 -14.358 1.00 0.00 C ATOM 1182 ND1 HIS B 77 2.106 16.362 -14.063 1.00 0.00 N ATOM 1183 CD2 HIS B 77 2.371 14.256 -14.634 1.00 0.00 C ATOM 1184 CE1 HIS B 77 0.892 15.795 -14.163 1.00 0.00 C ATOM 1185 NE2 HIS B 77 1.001 14.502 -14.512 1.00 0.00 N ATOM 0 H HIS B 77 3.973 13.827 -16.901 1.00 0.00 H new ATOM 0 HA HIS B 77 6.115 15.503 -15.941 1.00 0.00 H new ATOM 0 HB2 HIS B 77 5.016 15.313 -13.539 1.00 0.00 H new ATOM 0 HB3 HIS B 77 4.733 16.696 -14.579 1.00 0.00 H new ATOM 0 HD1 HIS B 77 2.293 17.333 -13.812 1.00 0.00 H new ATOM 0 HD2 HIS B 77 2.818 13.310 -14.903 1.00 0.00 H new ATOM 0 HE1 HIS B 77 -0.042 16.308 -13.987 1.00 0.00 H new ATOM 1193 N GLU B 78 6.959 13.563 -14.440 1.00 0.00 N ATOM 1194 CA GLU B 78 7.737 12.380 -14.054 1.00 0.00 C ATOM 1195 C GLU B 78 7.923 12.295 -12.534 1.00 0.00 C ATOM 1196 O GLU B 78 8.157 13.302 -11.865 1.00 0.00 O ATOM 1197 CB GLU B 78 9.091 12.437 -14.774 1.00 0.00 C ATOM 1198 CG GLU B 78 9.960 11.184 -14.589 1.00 0.00 C ATOM 1199 CD GLU B 78 10.999 11.094 -15.704 1.00 0.00 C ATOM 1200 OE1 GLU B 78 10.610 10.762 -16.846 1.00 0.00 O ATOM 1201 OE2 GLU B 78 12.199 11.388 -15.498 1.00 0.00 O ATOM 0 H GLU B 78 7.323 14.427 -14.039 1.00 0.00 H new ATOM 0 HA GLU B 78 7.197 11.481 -14.349 1.00 0.00 H new ATOM 0 HB2 GLU B 78 8.916 12.590 -15.839 1.00 0.00 H new ATOM 0 HB3 GLU B 78 9.644 13.305 -14.414 1.00 0.00 H new ATOM 0 HG2 GLU B 78 10.458 11.218 -13.620 1.00 0.00 H new ATOM 0 HG3 GLU B 78 9.332 10.293 -14.594 1.00 0.00 H new ATOM 1208 N PHE B 79 7.835 11.075 -12.001 1.00 0.00 N ATOM 1209 CA PHE B 79 7.923 10.762 -10.574 1.00 0.00 C ATOM 1210 C PHE B 79 8.745 9.485 -10.338 1.00 0.00 C ATOM 1211 O PHE B 79 8.917 8.662 -11.243 1.00 0.00 O ATOM 1212 CB PHE B 79 6.502 10.589 -10.002 1.00 0.00 C ATOM 1213 CG PHE B 79 5.601 11.808 -10.108 1.00 0.00 C ATOM 1214 CD1 PHE B 79 4.811 12.012 -11.257 1.00 0.00 C ATOM 1215 CD2 PHE B 79 5.535 12.733 -9.048 1.00 0.00 C ATOM 1216 CE1 PHE B 79 3.970 13.135 -11.348 1.00 0.00 C ATOM 1217 CE2 PHE B 79 4.695 13.857 -9.141 1.00 0.00 C ATOM 1218 CZ PHE B 79 3.916 14.061 -10.293 1.00 0.00 C ATOM 0 H PHE B 79 7.695 10.244 -12.576 1.00 0.00 H new ATOM 0 HA PHE B 79 8.427 11.584 -10.066 1.00 0.00 H new ATOM 0 HB2 PHE B 79 6.021 9.757 -10.517 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.584 10.309 -8.952 1.00 0.00 H new ATOM 0 HD1 PHE B 79 4.852 11.303 -12.071 1.00 0.00 H new ATOM 0 HD2 PHE B 79 6.131 12.579 -8.161 1.00 0.00 H new ATOM 0 HE1 PHE B 79 3.365 13.286 -12.230 1.00 0.00 H new ATOM 0 HE2 PHE B 79 4.648 14.564 -8.326 1.00 0.00 H new ATOM 0 HZ PHE B 79 3.277 14.928 -10.367 1.00 0.00 H new ATOM 1228 N SER B 80 9.206 9.264 -9.109 1.00 0.00 N ATOM 1229 CA SER B 80 9.868 8.016 -8.703 1.00 0.00 C ATOM 1230 C SER B 80 9.643 7.660 -7.231 1.00 0.00 C ATOM 1231 O SER B 80 9.326 8.524 -6.412 1.00 0.00 O ATOM 1232 CB SER B 80 11.362 8.074 -9.007 1.00 0.00 C ATOM 1233 OG SER B 80 11.889 6.768 -8.939 1.00 0.00 O ATOM 0 H SER B 80 9.132 9.949 -8.357 1.00 0.00 H new ATOM 0 HA SER B 80 9.406 7.223 -9.291 1.00 0.00 H new ATOM 0 HB2 SER B 80 11.530 8.498 -9.997 1.00 0.00 H new ATOM 0 HB3 SER B 80 11.868 8.723 -8.292 1.00 0.00 H new ATOM 0 HG SER B 80 11.203 6.124 -9.214 1.00 0.00 H new ATOM 1239 N VAL B 81 9.809 6.381 -6.893 1.00 0.00 N ATOM 1240 CA VAL B 81 9.360 5.774 -5.630 1.00 0.00 C ATOM 1241 C VAL B 81 10.318 4.675 -5.173 1.00 0.00 C ATOM 1242 O VAL B 81 10.924 3.993 -5.994 1.00 0.00 O ATOM 1243 CB VAL B 81 7.928 5.183 -5.740 1.00 0.00 C ATOM 1244 CG1 VAL B 81 6.849 6.260 -5.568 1.00 0.00 C ATOM 1245 CG2 VAL B 81 7.675 4.437 -7.066 1.00 0.00 C ATOM 0 H VAL B 81 10.274 5.713 -7.508 1.00 0.00 H new ATOM 0 HA VAL B 81 9.348 6.577 -4.894 1.00 0.00 H new ATOM 0 HB VAL B 81 7.862 4.462 -4.925 1.00 0.00 H new ATOM 0 HG11 VAL B 81 5.863 5.804 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL B 81 6.952 6.724 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL B 81 6.965 7.018 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL B 81 6.656 4.050 -7.077 1.00 0.00 H new ATOM 0 HG22 VAL B 81 7.811 5.124 -7.901 1.00 0.00 H new ATOM 0 HG23 VAL B 81 8.379 3.610 -7.158 1.00 0.00 H new ATOM 1255 N ASP B 82 10.399 4.467 -3.856 1.00 0.00 N ATOM 1256 CA ASP B 82 11.156 3.391 -3.187 1.00 0.00 C ATOM 1257 C ASP B 82 10.483 1.999 -3.339 1.00 0.00 C ATOM 1258 O ASP B 82 10.287 1.254 -2.376 1.00 0.00 O ATOM 1259 CB ASP B 82 11.363 3.822 -1.723 1.00 0.00 C ATOM 1260 CG ASP B 82 12.271 2.890 -0.915 1.00 0.00 C ATOM 1261 OD1 ASP B 82 13.293 2.408 -1.459 1.00 0.00 O ATOM 1262 OD2 ASP B 82 11.986 2.678 0.290 1.00 0.00 O ATOM 0 H ASP B 82 9.917 5.071 -3.190 1.00 0.00 H new ATOM 0 HA ASP B 82 12.126 3.256 -3.665 1.00 0.00 H new ATOM 0 HB2 ASP B 82 11.787 4.826 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP B 82 10.391 3.879 -1.232 1.00 0.00 H new ATOM 1267 N MET B 83 10.056 1.673 -4.564 1.00 0.00 N ATOM 1268 CA MET B 83 9.229 0.512 -4.914 1.00 0.00 C ATOM 1269 C MET B 83 10.035 -0.795 -4.945 1.00 0.00 C ATOM 1270 O MET B 83 10.365 -1.327 -6.009 1.00 0.00 O ATOM 1271 CB MET B 83 8.491 0.803 -6.232 1.00 0.00 C ATOM 1272 CG MET B 83 7.360 -0.195 -6.516 1.00 0.00 C ATOM 1273 SD MET B 83 6.027 -0.246 -5.286 1.00 0.00 S ATOM 1274 CE MET B 83 5.313 1.407 -5.489 1.00 0.00 C ATOM 0 H MET B 83 10.289 2.240 -5.379 1.00 0.00 H new ATOM 0 HA MET B 83 8.485 0.354 -4.133 1.00 0.00 H new ATOM 0 HB2 MET B 83 8.079 1.811 -6.197 1.00 0.00 H new ATOM 0 HB3 MET B 83 9.205 0.779 -7.055 1.00 0.00 H new ATOM 0 HG2 MET B 83 6.925 0.044 -7.486 1.00 0.00 H new ATOM 0 HG3 MET B 83 7.792 -1.192 -6.597 1.00 0.00 H new ATOM 0 HE1 MET B 83 4.368 1.464 -4.948 1.00 0.00 H new ATOM 0 HE2 MET B 83 6.003 2.152 -5.094 1.00 0.00 H new ATOM 0 HE3 MET B 83 5.137 1.600 -6.547 1.00 0.00 H new ATOM 1284 N THR B 84 10.354 -1.306 -3.757 1.00 0.00 N ATOM 1285 CA THR B 84 11.003 -2.601 -3.522 1.00 0.00 C ATOM 1286 C THR B 84 9.906 -3.648 -3.344 1.00 0.00 C ATOM 1287 O THR B 84 9.426 -3.884 -2.232 1.00 0.00 O ATOM 1288 CB THR B 84 11.958 -2.473 -2.329 1.00 0.00 C ATOM 1289 OG1 THR B 84 12.877 -1.455 -2.662 1.00 0.00 O ATOM 1290 CG2 THR B 84 12.754 -3.750 -2.070 1.00 0.00 C ATOM 0 H THR B 84 10.159 -0.807 -2.889 1.00 0.00 H new ATOM 0 HA THR B 84 11.619 -2.922 -4.362 1.00 0.00 H new ATOM 0 HB THR B 84 11.374 -2.262 -1.433 1.00 0.00 H new ATOM 0 HG1 THR B 84 13.512 -1.333 -1.925 1.00 0.00 H new ATOM 0 HG21 THR B 84 13.413 -3.601 -1.215 1.00 0.00 H new ATOM 0 HG22 THR B 84 12.068 -4.570 -1.861 1.00 0.00 H new ATOM 0 HG23 THR B 84 13.351 -3.992 -2.950 1.00 0.00 H new ATOM 1298 N CYS B 85 9.458 -4.220 -4.469 1.00 0.00 N ATOM 1299 CA CYS B 85 8.360 -5.180 -4.561 1.00 0.00 C ATOM 1300 C CYS B 85 8.177 -5.818 -5.962 1.00 0.00 C ATOM 1301 O CYS B 85 8.674 -5.324 -6.976 1.00 0.00 O ATOM 1302 CB CYS B 85 7.062 -4.488 -4.080 1.00 0.00 C ATOM 1303 SG CYS B 85 5.854 -5.714 -3.495 1.00 0.00 S ATOM 0 H CYS B 85 9.872 -4.014 -5.378 1.00 0.00 H new ATOM 0 HA CYS B 85 8.610 -6.023 -3.916 1.00 0.00 H new ATOM 0 HB2 CYS B 85 7.294 -3.788 -3.277 1.00 0.00 H new ATOM 0 HB3 CYS B 85 6.631 -3.907 -4.895 1.00 0.00 H new ATOM 1308 N GLY B 86 7.376 -6.886 -5.990 1.00 0.00 N ATOM 1309 CA GLY B 86 6.663 -7.382 -7.169 1.00 0.00 C ATOM 1310 C GLY B 86 5.196 -6.953 -7.113 1.00 0.00 C ATOM 1311 O GLY B 86 4.745 -6.157 -7.936 1.00 0.00 O ATOM 0 H GLY B 86 7.200 -7.451 -5.159 1.00 0.00 H new ATOM 0 HA2 GLY B 86 7.129 -6.995 -8.075 1.00 0.00 H new ATOM 0 HA3 GLY B 86 6.731 -8.469 -7.215 1.00 0.00 H new ATOM 1315 N GLY B 87 4.457 -7.425 -6.101 1.00 0.00 N ATOM 1316 CA GLY B 87 3.005 -7.223 -5.985 1.00 0.00 C ATOM 1317 C GLY B 87 2.584 -5.759 -5.863 1.00 0.00 C ATOM 1318 O GLY B 87 1.541 -5.366 -6.392 1.00 0.00 O ATOM 0 H GLY B 87 4.854 -7.964 -5.331 1.00 0.00 H new ATOM 0 HA2 GLY B 87 2.518 -7.658 -6.858 1.00 0.00 H new ATOM 0 HA3 GLY B 87 2.642 -7.768 -5.113 1.00 0.00 H new ATOM 1322 N CYS B 88 3.405 -4.914 -5.231 1.00 0.00 N ATOM 1323 CA CYS B 88 3.089 -3.498 -5.063 1.00 0.00 C ATOM 1324 C CYS B 88 3.120 -2.698 -6.385 1.00 0.00 C ATOM 1325 O CYS B 88 2.509 -1.631 -6.445 1.00 0.00 O ATOM 1326 CB CYS B 88 3.953 -2.897 -3.945 1.00 0.00 C ATOM 1327 SG CYS B 88 3.190 -1.355 -3.360 1.00 0.00 S ATOM 0 H CYS B 88 4.299 -5.192 -4.826 1.00 0.00 H new ATOM 0 HA CYS B 88 2.049 -3.419 -4.748 1.00 0.00 H new ATOM 0 HB2 CYS B 88 4.047 -3.605 -3.122 1.00 0.00 H new ATOM 0 HB3 CYS B 88 4.960 -2.701 -4.313 1.00 0.00 H new ATOM 0 HG CYS B 88 3.797 -0.339 -3.898 1.00 0.00 H new ATOM 1333 N ALA B 89 3.722 -3.215 -7.466 1.00 0.00 N ATOM 1334 CA ALA B 89 3.637 -2.610 -8.804 1.00 0.00 C ATOM 1335 C ALA B 89 2.203 -2.662 -9.377 1.00 0.00 C ATOM 1336 O ALA B 89 1.697 -1.674 -9.916 1.00 0.00 O ATOM 1337 CB ALA B 89 4.642 -3.318 -9.723 1.00 0.00 C ATOM 0 H ALA B 89 4.283 -4.066 -7.437 1.00 0.00 H new ATOM 0 HA ALA B 89 3.889 -1.552 -8.734 1.00 0.00 H new ATOM 0 HB1 ALA B 89 4.593 -2.882 -10.721 1.00 0.00 H new ATOM 0 HB2 ALA B 89 5.649 -3.197 -9.323 1.00 0.00 H new ATOM 0 HB3 ALA B 89 4.399 -4.379 -9.779 1.00 0.00 H new ATOM 1343 N GLU B 90 1.509 -3.788 -9.183 1.00 0.00 N ATOM 1344 CA GLU B 90 0.079 -3.891 -9.494 1.00 0.00 C ATOM 1345 C GLU B 90 -0.740 -3.055 -8.497 1.00 0.00 C ATOM 1346 O GLU B 90 -1.646 -2.324 -8.892 1.00 0.00 O ATOM 1347 CB GLU B 90 -0.370 -5.364 -9.524 1.00 0.00 C ATOM 1348 CG GLU B 90 0.404 -6.175 -10.577 1.00 0.00 C ATOM 1349 CD GLU B 90 -0.178 -7.573 -10.776 1.00 0.00 C ATOM 1350 OE1 GLU B 90 -1.161 -7.723 -11.536 1.00 0.00 O ATOM 1351 OE2 GLU B 90 0.365 -8.550 -10.208 1.00 0.00 O ATOM 0 H GLU B 90 1.917 -4.645 -8.810 1.00 0.00 H new ATOM 0 HA GLU B 90 -0.099 -3.486 -10.490 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -0.221 -5.810 -8.540 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -1.437 -5.414 -9.739 1.00 0.00 H new ATOM 0 HG2 GLU B 90 0.390 -5.640 -11.526 1.00 0.00 H new ATOM 0 HG3 GLU B 90 1.447 -6.258 -10.273 1.00 0.00 H new ATOM 1358 N ALA B 91 -0.370 -3.057 -7.210 1.00 0.00 N ATOM 1359 CA ALA B 91 -1.051 -2.251 -6.195 1.00 0.00 C ATOM 1360 C ALA B 91 -0.985 -0.738 -6.472 1.00 0.00 C ATOM 1361 O ALA B 91 -2.023 -0.082 -6.435 1.00 0.00 O ATOM 1362 CB ALA B 91 -0.482 -2.598 -4.820 1.00 0.00 C ATOM 0 H ALA B 91 0.404 -3.614 -6.847 1.00 0.00 H new ATOM 0 HA ALA B 91 -2.112 -2.498 -6.227 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -0.984 -2.002 -4.058 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -0.642 -3.657 -4.617 1.00 0.00 H new ATOM 0 HB3 ALA B 91 0.586 -2.383 -4.804 1.00 0.00 H new ATOM 1368 N VAL B 92 0.189 -0.176 -6.789 1.00 0.00 N ATOM 1369 CA VAL B 92 0.319 1.257 -7.119 1.00 0.00 C ATOM 1370 C VAL B 92 -0.447 1.612 -8.400 1.00 0.00 C ATOM 1371 O VAL B 92 -0.981 2.710 -8.500 1.00 0.00 O ATOM 1372 CB VAL B 92 1.789 1.743 -7.172 1.00 0.00 C ATOM 1373 CG1 VAL B 92 2.569 1.229 -8.389 1.00 0.00 C ATOM 1374 CG2 VAL B 92 1.881 3.280 -7.139 1.00 0.00 C ATOM 0 H VAL B 92 1.068 -0.691 -6.825 1.00 0.00 H new ATOM 0 HA VAL B 92 -0.143 1.800 -6.295 1.00 0.00 H new ATOM 0 HB VAL B 92 2.250 1.320 -6.279 1.00 0.00 H new ATOM 0 HG11 VAL B 92 3.589 1.612 -8.356 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.590 0.139 -8.374 1.00 0.00 H new ATOM 0 HG13 VAL B 92 2.083 1.570 -9.303 1.00 0.00 H new ATOM 0 HG21 VAL B 92 2.927 3.583 -7.178 1.00 0.00 H new ATOM 0 HG22 VAL B 92 1.351 3.695 -7.997 1.00 0.00 H new ATOM 0 HG23 VAL B 92 1.430 3.652 -6.219 1.00 0.00 H new ATOM 1384 N SER B 93 -0.601 0.669 -9.336 1.00 0.00 N ATOM 1385 CA SER B 93 -1.474 0.844 -10.505 1.00 0.00 C ATOM 1386 C SER B 93 -2.953 0.953 -10.066 1.00 0.00 C ATOM 1387 O SER B 93 -3.631 1.927 -10.399 1.00 0.00 O ATOM 1388 CB SER B 93 -1.234 -0.297 -11.515 1.00 0.00 C ATOM 1389 OG SER B 93 0.137 -0.410 -11.892 1.00 0.00 O ATOM 0 H SER B 93 -0.127 -0.234 -9.306 1.00 0.00 H new ATOM 0 HA SER B 93 -1.229 1.779 -11.009 1.00 0.00 H new ATOM 0 HB2 SER B 93 -1.567 -1.239 -11.080 1.00 0.00 H new ATOM 0 HB3 SER B 93 -1.840 -0.124 -12.405 1.00 0.00 H new ATOM 0 HG SER B 93 0.638 -0.853 -11.175 1.00 0.00 H new ATOM 1395 N ARG B 94 -3.433 0.045 -9.202 1.00 0.00 N ATOM 1396 CA ARG B 94 -4.782 0.118 -8.604 1.00 0.00 C ATOM 1397 C ARG B 94 -4.996 1.379 -7.745 1.00 0.00 C ATOM 1398 O ARG B 94 -6.083 1.960 -7.773 1.00 0.00 O ATOM 1399 CB ARG B 94 -5.054 -1.135 -7.756 1.00 0.00 C ATOM 1400 CG ARG B 94 -5.082 -2.439 -8.568 1.00 0.00 C ATOM 1401 CD ARG B 94 -5.129 -3.640 -7.618 1.00 0.00 C ATOM 1402 NE ARG B 94 -4.846 -4.901 -8.328 1.00 0.00 N ATOM 1403 CZ ARG B 94 -4.004 -5.852 -7.946 1.00 0.00 C ATOM 1404 NH1 ARG B 94 -3.363 -5.815 -6.796 1.00 0.00 N ATOM 1405 NH2 ARG B 94 -3.791 -6.876 -8.739 1.00 0.00 N ATOM 0 H ARG B 94 -2.896 -0.766 -8.895 1.00 0.00 H new ATOM 0 HA ARG B 94 -5.486 0.172 -9.434 1.00 0.00 H new ATOM 0 HB2 ARG B 94 -4.287 -1.214 -6.985 1.00 0.00 H new ATOM 0 HB3 ARG B 94 -6.009 -1.016 -7.244 1.00 0.00 H new ATOM 0 HG2 ARG B 94 -5.951 -2.450 -9.226 1.00 0.00 H new ATOM 0 HG3 ARG B 94 -4.199 -2.501 -9.204 1.00 0.00 H new ATOM 0 HD2 ARG B 94 -4.402 -3.501 -6.817 1.00 0.00 H new ATOM 0 HD3 ARG B 94 -6.112 -3.697 -7.150 1.00 0.00 H new ATOM 0 HE ARG B 94 -5.349 -5.058 -9.202 1.00 0.00 H new ATOM 0 HH11 ARG B 94 -3.505 -5.032 -6.158 1.00 0.00 H new ATOM 0 HH12 ARG B 94 -2.724 -6.569 -6.544 1.00 0.00 H new ATOM 0 HH21 ARG B 94 -4.271 -6.934 -9.637 1.00 0.00 H new ATOM 0 HH22 ARG B 94 -3.146 -7.614 -8.457 1.00 0.00 H new ATOM 1419 N VAL B 95 -3.976 1.825 -7.007 1.00 0.00 N ATOM 1420 CA VAL B 95 -4.016 3.048 -6.180 1.00 0.00 C ATOM 1421 C VAL B 95 -4.045 4.323 -7.038 1.00 0.00 C ATOM 1422 O VAL B 95 -4.767 5.255 -6.698 1.00 0.00 O ATOM 1423 CB VAL B 95 -2.862 3.075 -5.150 1.00 0.00 C ATOM 1424 CG1 VAL B 95 -2.705 4.418 -4.422 1.00 0.00 C ATOM 1425 CG2 VAL B 95 -3.101 2.003 -4.078 1.00 0.00 C ATOM 0 H VAL B 95 -3.079 1.341 -6.962 1.00 0.00 H new ATOM 0 HA VAL B 95 -4.951 3.025 -5.619 1.00 0.00 H new ATOM 0 HB VAL B 95 -1.954 2.895 -5.726 1.00 0.00 H new ATOM 0 HG11 VAL B 95 -1.876 4.355 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL B 95 -2.505 5.205 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL B 95 -3.623 4.648 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL B 95 -2.286 2.025 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL B 95 -4.044 2.201 -3.569 1.00 0.00 H new ATOM 0 HG23 VAL B 95 -3.142 1.021 -4.549 1.00 0.00 H new ATOM 1435 N LEU B 96 -3.348 4.361 -8.182 1.00 0.00 N ATOM 1436 CA LEU B 96 -3.496 5.438 -9.171 1.00 0.00 C ATOM 1437 C LEU B 96 -4.907 5.430 -9.778 1.00 0.00 C ATOM 1438 O LEU B 96 -5.537 6.481 -9.872 1.00 0.00 O ATOM 1439 CB LEU B 96 -2.396 5.309 -10.246 1.00 0.00 C ATOM 1440 CG LEU B 96 -0.993 5.748 -9.775 1.00 0.00 C ATOM 1441 CD1 LEU B 96 0.059 5.308 -10.805 1.00 0.00 C ATOM 1442 CD2 LEU B 96 -0.899 7.270 -9.576 1.00 0.00 C ATOM 0 H LEU B 96 -2.668 3.649 -8.447 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.372 6.403 -8.679 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.347 4.271 -10.577 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.679 5.907 -11.112 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.807 5.271 -8.812 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.049 5.619 -10.470 1.00 0.00 H new ATOM 0 HD12 LEU B 96 0.035 4.223 -10.908 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.160 5.769 -11.768 1.00 0.00 H new ATOM 0 HD21 LEU B 96 0.106 7.532 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.113 7.774 -10.518 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.623 7.584 -8.824 1.00 0.00 H new ATOM 1454 N ASN B 97 -5.459 4.252 -10.087 1.00 0.00 N ATOM 1455 CA ASN B 97 -6.835 4.108 -10.576 1.00 0.00 C ATOM 1456 C ASN B 97 -7.920 4.604 -9.590 1.00 0.00 C ATOM 1457 O ASN B 97 -9.040 4.874 -10.028 1.00 0.00 O ATOM 1458 CB ASN B 97 -7.097 2.655 -11.010 1.00 0.00 C ATOM 1459 CG ASN B 97 -6.343 2.232 -12.269 1.00 0.00 C ATOM 1460 OD1 ASN B 97 -5.835 3.043 -13.038 1.00 0.00 O ATOM 1461 ND2 ASN B 97 -6.294 0.943 -12.538 1.00 0.00 N ATOM 0 H ASN B 97 -4.961 3.366 -10.004 1.00 0.00 H new ATOM 0 HA ASN B 97 -6.918 4.768 -11.440 1.00 0.00 H new ATOM 0 HB2 ASN B 97 -6.821 1.988 -10.193 1.00 0.00 H new ATOM 0 HB3 ASN B 97 -8.166 2.525 -11.179 1.00 0.00 H new ATOM 0 HD21 ASN B 97 -5.833 0.616 -13.387 1.00 0.00 H new ATOM 0 HD22 ASN B 97 -6.717 0.272 -11.897 1.00 0.00 H new ATOM 1468 N LYS B 98 -7.615 4.831 -8.299 1.00 0.00 N ATOM 1469 CA LYS B 98 -8.512 5.563 -7.377 1.00 0.00 C ATOM 1470 C LYS B 98 -8.858 6.975 -7.902 1.00 0.00 C ATOM 1471 O LYS B 98 -10.003 7.414 -7.776 1.00 0.00 O ATOM 1472 CB LYS B 98 -7.899 5.669 -5.969 1.00 0.00 C ATOM 1473 CG LYS B 98 -7.704 4.311 -5.276 1.00 0.00 C ATOM 1474 CD LYS B 98 -7.239 4.504 -3.824 1.00 0.00 C ATOM 1475 CE LYS B 98 -6.857 3.170 -3.164 1.00 0.00 C ATOM 1476 NZ LYS B 98 -6.523 3.318 -1.723 1.00 0.00 N ATOM 0 H LYS B 98 -6.747 4.516 -7.865 1.00 0.00 H new ATOM 0 HA LYS B 98 -9.435 4.986 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS B 98 -6.935 6.173 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS B 98 -8.541 6.294 -5.349 1.00 0.00 H new ATOM 0 HG2 LYS B 98 -8.639 3.751 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS B 98 -6.969 3.720 -5.823 1.00 0.00 H new ATOM 0 HD2 LYS B 98 -6.383 5.178 -3.803 1.00 0.00 H new ATOM 0 HD3 LYS B 98 -8.033 4.980 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS B 98 -7.683 2.467 -3.271 1.00 0.00 H new ATOM 0 HE3 LYS B 98 -6.003 2.741 -3.689 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 -6.812 2.461 -1.210 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 -5.498 3.456 -1.617 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 -7.025 4.141 -1.333 1.00 0.00 H new ATOM 1490 N LEU B 99 -7.898 7.664 -8.540 1.00 0.00 N ATOM 1491 CA LEU B 99 -8.090 8.977 -9.176 1.00 0.00 C ATOM 1492 C LEU B 99 -8.923 8.917 -10.472 1.00 0.00 C ATOM 1493 O LEU B 99 -9.452 9.950 -10.897 1.00 0.00 O ATOM 1494 CB LEU B 99 -6.716 9.631 -9.447 1.00 0.00 C ATOM 1495 CG LEU B 99 -5.838 9.913 -8.205 1.00 0.00 C ATOM 1496 CD1 LEU B 99 -4.500 10.513 -8.663 1.00 0.00 C ATOM 1497 CD2 LEU B 99 -6.517 10.873 -7.218 1.00 0.00 C ATOM 0 H LEU B 99 -6.944 7.315 -8.630 1.00 0.00 H new ATOM 0 HA LEU B 99 -8.664 9.585 -8.477 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.156 8.985 -10.123 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -6.882 10.573 -9.971 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.680 8.968 -7.686 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -3.875 10.715 -7.793 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.991 9.808 -9.320 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.684 11.443 -9.201 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.861 11.040 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -6.716 11.823 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -7.456 10.439 -6.876 1.00 0.00 H new ATOM 1509 N GLY B 100 -9.059 7.738 -11.093 1.00 0.00 N ATOM 1510 CA GLY B 100 -9.851 7.505 -12.305 1.00 0.00 C ATOM 1511 C GLY B 100 -9.013 7.600 -13.580 1.00 0.00 C ATOM 1512 O GLY B 100 -8.080 6.815 -13.785 1.00 0.00 O ATOM 0 H GLY B 100 -8.604 6.891 -10.752 1.00 0.00 H new ATOM 0 HA2 GLY B 100 -10.312 6.519 -12.250 1.00 0.00 H new ATOM 0 HA3 GLY B 100 -10.661 8.233 -12.351 1.00 0.00 H new ATOM 1516 N GLY B 101 -9.360 8.545 -14.457 1.00 0.00 N ATOM 1517 CA GLY B 101 -8.718 8.761 -15.759 1.00 0.00 C ATOM 1518 C GLY B 101 -7.365 9.463 -15.654 1.00 0.00 C ATOM 1519 O GLY B 101 -7.236 10.614 -16.069 1.00 0.00 O ATOM 0 H GLY B 101 -10.119 9.202 -14.276 1.00 0.00 H new ATOM 0 HA2 GLY B 101 -8.584 7.799 -16.255 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -9.380 9.355 -16.389 1.00 0.00 H new ATOM 1523 N VAL B 102 -6.382 8.748 -15.110 1.00 0.00 N ATOM 1524 CA VAL B 102 -4.941 9.052 -15.155 1.00 0.00 C ATOM 1525 C VAL B 102 -4.260 8.200 -16.237 1.00 0.00 C ATOM 1526 O VAL B 102 -4.468 6.987 -16.299 1.00 0.00 O ATOM 1527 CB VAL B 102 -4.235 8.791 -13.797 1.00 0.00 C ATOM 1528 CG1 VAL B 102 -4.363 9.982 -12.841 1.00 0.00 C ATOM 1529 CG2 VAL B 102 -4.741 7.532 -13.066 1.00 0.00 C ATOM 0 H VAL B 102 -6.575 7.889 -14.594 1.00 0.00 H new ATOM 0 HA VAL B 102 -4.850 10.114 -15.385 1.00 0.00 H new ATOM 0 HB VAL B 102 -3.190 8.636 -14.066 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -3.854 9.753 -11.905 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -3.909 10.863 -13.295 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -5.417 10.178 -12.643 1.00 0.00 H new ATOM 0 HG21 VAL B 102 -4.201 7.415 -12.126 1.00 0.00 H new ATOM 0 HG22 VAL B 102 -5.807 7.633 -12.862 1.00 0.00 H new ATOM 0 HG23 VAL B 102 -4.573 6.656 -13.692 1.00 0.00 H new ATOM 1539 N LYS B 103 -3.405 8.820 -17.055 1.00 0.00 N ATOM 1540 CA LYS B 103 -2.470 8.131 -17.954 1.00 0.00 C ATOM 1541 C LYS B 103 -1.140 7.877 -17.239 1.00 0.00 C ATOM 1542 O LYS B 103 -0.552 8.825 -16.715 1.00 0.00 O ATOM 1543 CB LYS B 103 -2.188 9.014 -19.181 1.00 0.00 C ATOM 1544 CG LYS B 103 -3.318 9.005 -20.209 1.00 0.00 C ATOM 1545 CD LYS B 103 -2.878 9.739 -21.482 1.00 0.00 C ATOM 1546 CE LYS B 103 -4.056 9.770 -22.453 1.00 0.00 C ATOM 1547 NZ LYS B 103 -3.665 10.248 -23.793 1.00 0.00 N ATOM 0 H LYS B 103 -3.341 9.836 -17.113 1.00 0.00 H new ATOM 0 HA LYS B 103 -2.918 7.185 -18.257 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -2.016 10.038 -18.850 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -1.269 8.675 -19.659 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -3.594 7.978 -20.449 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -4.204 9.484 -19.792 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -2.557 10.753 -21.243 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -2.026 9.233 -21.936 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -4.482 8.770 -22.536 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -4.837 10.416 -22.053 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -4.497 10.252 -24.417 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -3.283 11.213 -23.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -2.939 9.617 -24.188 1.00 0.00 H new ATOM 1561 N TYR B 104 -0.626 6.644 -17.266 1.00 0.00 N ATOM 1562 CA TYR B 104 0.677 6.329 -16.665 1.00 0.00 C ATOM 1563 C TYR B 104 1.414 5.125 -17.278 1.00 0.00 C ATOM 1564 O TYR B 104 0.820 4.257 -17.929 1.00 0.00 O ATOM 1565 CB TYR B 104 0.537 6.189 -15.135 1.00 0.00 C ATOM 1566 CG TYR B 104 -0.403 5.097 -14.663 1.00 0.00 C ATOM 1567 CD1 TYR B 104 0.066 3.781 -14.481 1.00 0.00 C ATOM 1568 CD2 TYR B 104 -1.749 5.405 -14.382 1.00 0.00 C ATOM 1569 CE1 TYR B 104 -0.810 2.774 -14.033 1.00 0.00 C ATOM 1570 CE2 TYR B 104 -2.628 4.403 -13.932 1.00 0.00 C ATOM 1571 CZ TYR B 104 -2.163 3.081 -13.763 1.00 0.00 C ATOM 1572 OH TYR B 104 -3.011 2.106 -13.340 1.00 0.00 O ATOM 0 H TYR B 104 -1.091 5.846 -17.698 1.00 0.00 H new ATOM 0 HA TYR B 104 1.319 7.177 -16.902 1.00 0.00 H new ATOM 0 HB2 TYR B 104 1.524 6.002 -14.713 1.00 0.00 H new ATOM 0 HB3 TYR B 104 0.193 7.141 -14.731 1.00 0.00 H new ATOM 0 HD1 TYR B 104 1.100 3.544 -14.686 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -2.108 6.415 -14.513 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -0.448 1.766 -13.895 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -3.658 4.645 -13.716 1.00 0.00 H new ATOM 0 HH TYR B 104 -3.914 2.476 -13.246 1.00 0.00 H new ATOM 1582 N ASP B 105 2.729 5.060 -17.041 1.00 0.00 N ATOM 1583 CA ASP B 105 3.592 3.935 -17.417 1.00 0.00 C ATOM 1584 C ASP B 105 4.824 3.813 -16.497 1.00 0.00 C ATOM 1585 O ASP B 105 5.633 4.737 -16.388 1.00 0.00 O ATOM 1586 CB ASP B 105 3.968 4.032 -18.908 1.00 0.00 C ATOM 1587 CG ASP B 105 4.216 2.648 -19.504 1.00 0.00 C ATOM 1588 OD1 ASP B 105 3.223 1.983 -19.887 1.00 0.00 O ATOM 1589 OD2 ASP B 105 5.387 2.218 -19.573 1.00 0.00 O ATOM 0 H ASP B 105 3.236 5.809 -16.569 1.00 0.00 H new ATOM 0 HA ASP B 105 3.032 3.010 -17.275 1.00 0.00 H new ATOM 0 HB2 ASP B 105 3.168 4.529 -19.456 1.00 0.00 H new ATOM 0 HB3 ASP B 105 4.862 4.646 -19.022 1.00 0.00 H new ATOM 1594 N ILE B 106 4.946 2.666 -15.821 1.00 0.00 N ATOM 1595 CA ILE B 106 5.921 2.379 -14.747 1.00 0.00 C ATOM 1596 C ILE B 106 7.164 1.663 -15.306 1.00 0.00 C ATOM 1597 O ILE B 106 7.034 0.734 -16.108 1.00 0.00 O ATOM 1598 CB ILE B 106 5.201 1.521 -13.667 1.00 0.00 C ATOM 1599 CG1 ILE B 106 3.982 2.265 -13.056 1.00 0.00 C ATOM 1600 CG2 ILE B 106 6.153 1.079 -12.541 1.00 0.00 C ATOM 1601 CD1 ILE B 106 3.046 1.370 -12.233 1.00 0.00 C ATOM 0 H ILE B 106 4.340 1.868 -16.013 1.00 0.00 H new ATOM 0 HA ILE B 106 6.276 3.308 -14.301 1.00 0.00 H new ATOM 0 HB ILE B 106 4.845 0.629 -14.184 1.00 0.00 H new ATOM 0 HG12 ILE B 106 4.345 3.073 -12.421 1.00 0.00 H new ATOM 0 HG13 ILE B 106 3.410 2.725 -13.862 1.00 0.00 H new ATOM 0 HG21 ILE B 106 5.603 0.483 -11.813 1.00 0.00 H new ATOM 0 HG22 ILE B 106 6.962 0.482 -12.962 1.00 0.00 H new ATOM 0 HG23 ILE B 106 6.569 1.959 -12.050 1.00 0.00 H new ATOM 0 HD11 ILE B 106 2.222 1.967 -11.843 1.00 0.00 H new ATOM 0 HD12 ILE B 106 2.651 0.577 -12.867 1.00 0.00 H new ATOM 0 HD13 ILE B 106 3.600 0.930 -11.404 1.00 0.00 H new ATOM 1613 N ASP B 107 8.362 2.067 -14.875 1.00 0.00 N ATOM 1614 CA ASP B 107 9.646 1.392 -15.125 1.00 0.00 C ATOM 1615 C ASP B 107 10.160 0.758 -13.823 1.00 0.00 C ATOM 1616 O ASP B 107 10.508 1.464 -12.875 1.00 0.00 O ATOM 1617 CB ASP B 107 10.680 2.405 -15.647 1.00 0.00 C ATOM 1618 CG ASP B 107 12.026 1.749 -15.987 1.00 0.00 C ATOM 1619 OD1 ASP B 107 12.127 1.089 -17.048 1.00 0.00 O ATOM 1620 OD2 ASP B 107 12.991 1.881 -15.200 1.00 0.00 O ATOM 0 H ASP B 107 8.472 2.913 -14.316 1.00 0.00 H new ATOM 0 HA ASP B 107 9.498 0.614 -15.874 1.00 0.00 H new ATOM 0 HB2 ASP B 107 10.285 2.898 -16.535 1.00 0.00 H new ATOM 0 HB3 ASP B 107 10.836 3.179 -14.896 1.00 0.00 H new ATOM 1625 N LEU B 108 10.223 -0.576 -13.769 1.00 0.00 N ATOM 1626 CA LEU B 108 10.663 -1.300 -12.571 1.00 0.00 C ATOM 1627 C LEU B 108 12.180 -1.190 -12.284 1.00 0.00 C ATOM 1628 O LEU B 108 12.510 -1.024 -11.107 1.00 0.00 O ATOM 1629 CB LEU B 108 10.152 -2.757 -12.635 1.00 0.00 C ATOM 1630 CG LEU B 108 10.391 -3.591 -11.356 1.00 0.00 C ATOM 1631 CD1 LEU B 108 9.670 -3.006 -10.129 1.00 0.00 C ATOM 1632 CD2 LEU B 108 9.908 -5.030 -11.587 1.00 0.00 C ATOM 0 H LEU B 108 9.972 -1.182 -14.550 1.00 0.00 H new ATOM 0 HA LEU B 108 10.213 -0.813 -11.706 1.00 0.00 H new ATOM 0 HB2 LEU B 108 9.083 -2.742 -12.846 1.00 0.00 H new ATOM 0 HB3 LEU B 108 10.635 -3.259 -13.473 1.00 0.00 H new ATOM 0 HG LEU B 108 11.461 -3.571 -11.150 1.00 0.00 H new ATOM 0 HD11 LEU B 108 9.871 -3.629 -9.258 1.00 0.00 H new ATOM 0 HD12 LEU B 108 10.031 -1.995 -9.943 1.00 0.00 H new ATOM 0 HD13 LEU B 108 8.597 -2.979 -10.316 1.00 0.00 H new ATOM 0 HD21 LEU B 108 10.076 -5.619 -10.686 1.00 0.00 H new ATOM 0 HD22 LEU B 108 8.844 -5.023 -11.823 1.00 0.00 H new ATOM 0 HD23 LEU B 108 10.461 -5.471 -12.417 1.00 0.00 H new ATOM 1644 N PRO B 109 13.107 -1.258 -13.269 1.00 0.00 N ATOM 1645 CA PRO B 109 14.548 -1.213 -13.002 1.00 0.00 C ATOM 1646 C PRO B 109 15.039 0.083 -12.340 1.00 0.00 C ATOM 1647 O PRO B 109 15.847 0.010 -11.415 1.00 0.00 O ATOM 1648 CB PRO B 109 15.237 -1.443 -14.351 1.00 0.00 C ATOM 1649 CG PRO B 109 14.199 -2.209 -15.164 1.00 0.00 C ATOM 1650 CD PRO B 109 12.883 -1.625 -14.663 1.00 0.00 C ATOM 0 HA PRO B 109 14.795 -1.982 -12.270 1.00 0.00 H new ATOM 0 HB2 PRO B 109 15.504 -0.501 -14.830 1.00 0.00 H new ATOM 0 HB3 PRO B 109 16.158 -2.015 -14.237 1.00 0.00 H new ATOM 0 HG2 PRO B 109 14.329 -2.054 -16.235 1.00 0.00 H new ATOM 0 HG3 PRO B 109 14.259 -3.283 -14.988 1.00 0.00 H new ATOM 0 HD2 PRO B 109 12.593 -0.756 -15.253 1.00 0.00 H new ATOM 0 HD3 PRO B 109 12.076 -2.353 -14.749 1.00 0.00 H new ATOM 1658 N ASN B 110 14.564 1.259 -12.775 1.00 0.00 N ATOM 1659 CA ASN B 110 14.890 2.555 -12.150 1.00 0.00 C ATOM 1660 C ASN B 110 13.897 2.939 -11.026 1.00 0.00 C ATOM 1661 O ASN B 110 14.195 3.812 -10.210 1.00 0.00 O ATOM 1662 CB ASN B 110 14.924 3.630 -13.254 1.00 0.00 C ATOM 1663 CG ASN B 110 15.647 4.910 -12.839 1.00 0.00 C ATOM 1664 OD1 ASN B 110 15.040 5.920 -12.490 1.00 0.00 O ATOM 1665 ND2 ASN B 110 16.964 4.913 -12.892 1.00 0.00 N ATOM 0 H ASN B 110 13.938 1.341 -13.576 1.00 0.00 H new ATOM 0 HA ASN B 110 15.865 2.477 -11.670 1.00 0.00 H new ATOM 0 HB2 ASN B 110 15.412 3.217 -14.137 1.00 0.00 H new ATOM 0 HB3 ASN B 110 13.902 3.877 -13.541 1.00 0.00 H new ATOM 0 HD21 ASN B 110 17.483 5.755 -12.643 1.00 0.00 H new ATOM 0 HD22 ASN B 110 17.465 4.073 -13.182 1.00 0.00 H new ATOM 1672 N LYS B 111 12.722 2.290 -10.997 1.00 0.00 N ATOM 1673 CA LYS B 111 11.588 2.504 -10.074 1.00 0.00 C ATOM 1674 C LYS B 111 10.833 3.833 -10.349 1.00 0.00 C ATOM 1675 O LYS B 111 10.200 4.399 -9.451 1.00 0.00 O ATOM 1676 CB LYS B 111 12.003 2.297 -8.594 1.00 0.00 C ATOM 1677 CG LYS B 111 12.632 0.916 -8.308 1.00 0.00 C ATOM 1678 CD LYS B 111 13.057 0.752 -6.838 1.00 0.00 C ATOM 1679 CE LYS B 111 13.641 -0.651 -6.608 1.00 0.00 C ATOM 1680 NZ LYS B 111 14.087 -0.884 -5.212 1.00 0.00 N ATOM 0 H LYS B 111 12.522 1.547 -11.666 1.00 0.00 H new ATOM 0 HA LYS B 111 10.850 1.728 -10.279 1.00 0.00 H new ATOM 0 HB2 LYS B 111 12.714 3.074 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS B 111 11.126 2.424 -7.960 1.00 0.00 H new ATOM 0 HG2 LYS B 111 11.916 0.135 -8.565 1.00 0.00 H new ATOM 0 HG3 LYS B 111 13.501 0.776 -8.951 1.00 0.00 H new ATOM 0 HD2 LYS B 111 13.797 1.509 -6.579 1.00 0.00 H new ATOM 0 HD3 LYS B 111 12.199 0.909 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS B 111 12.890 -1.396 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS B 111 14.486 -0.799 -7.281 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 14.732 -1.700 -5.185 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 14.582 -0.040 -4.860 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 13.260 -1.076 -4.611 1.00 0.00 H new ATOM 1694 N LYS B 112 10.892 4.343 -11.592 1.00 0.00 N ATOM 1695 CA LYS B 112 10.292 5.625 -12.001 1.00 0.00 C ATOM 1696 C LYS B 112 8.929 5.439 -12.697 1.00 0.00 C ATOM 1697 O LYS B 112 8.594 4.343 -13.144 1.00 0.00 O ATOM 1698 CB LYS B 112 11.294 6.452 -12.839 1.00 0.00 C ATOM 1699 CG LYS B 112 11.602 5.888 -14.239 1.00 0.00 C ATOM 1700 CD LYS B 112 12.566 6.792 -15.025 1.00 0.00 C ATOM 1701 CE LYS B 112 12.860 6.193 -16.409 1.00 0.00 C ATOM 1702 NZ LYS B 112 13.602 7.138 -17.280 1.00 0.00 N ATOM 0 H LYS B 112 11.369 3.865 -12.357 1.00 0.00 H new ATOM 0 HA LYS B 112 10.076 6.199 -11.100 1.00 0.00 H new ATOM 0 HB2 LYS B 112 10.902 7.463 -12.950 1.00 0.00 H new ATOM 0 HB3 LYS B 112 12.228 6.532 -12.284 1.00 0.00 H new ATOM 0 HG2 LYS B 112 12.036 4.893 -14.141 1.00 0.00 H new ATOM 0 HG3 LYS B 112 10.673 5.777 -14.798 1.00 0.00 H new ATOM 0 HD2 LYS B 112 12.132 7.785 -15.137 1.00 0.00 H new ATOM 0 HD3 LYS B 112 13.496 6.912 -14.469 1.00 0.00 H new ATOM 0 HE2 LYS B 112 13.440 5.277 -16.292 1.00 0.00 H new ATOM 0 HE3 LYS B 112 11.922 5.917 -16.891 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 13.779 6.693 -18.203 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 13.039 8.002 -17.414 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 14.509 7.382 -16.834 1.00 0.00 H new ATOM 1716 N VAL B 113 8.142 6.511 -12.805 1.00 0.00 N ATOM 1717 CA VAL B 113 6.802 6.507 -13.412 1.00 0.00 C ATOM 1718 C VAL B 113 6.629 7.754 -14.281 1.00 0.00 C ATOM 1719 O VAL B 113 6.916 8.865 -13.837 1.00 0.00 O ATOM 1720 CB VAL B 113 5.675 6.455 -12.346 1.00 0.00 C ATOM 1721 CG1 VAL B 113 4.318 6.166 -13.010 1.00 0.00 C ATOM 1722 CG2 VAL B 113 5.928 5.392 -11.260 1.00 0.00 C ATOM 0 H VAL B 113 8.422 7.431 -12.465 1.00 0.00 H new ATOM 0 HA VAL B 113 6.720 5.607 -14.022 1.00 0.00 H new ATOM 0 HB VAL B 113 5.666 7.434 -11.867 1.00 0.00 H new ATOM 0 HG11 VAL B 113 3.540 6.133 -12.248 1.00 0.00 H new ATOM 0 HG12 VAL B 113 4.089 6.953 -13.728 1.00 0.00 H new ATOM 0 HG13 VAL B 113 4.362 5.206 -13.525 1.00 0.00 H new ATOM 0 HG21 VAL B 113 5.107 5.402 -10.543 1.00 0.00 H new ATOM 0 HG22 VAL B 113 5.993 4.407 -11.723 1.00 0.00 H new ATOM 0 HG23 VAL B 113 6.863 5.613 -10.745 1.00 0.00 H new ATOM 1732 N CYS B 114 6.148 7.558 -15.510 1.00 0.00 N ATOM 1733 CA CYS B 114 5.703 8.623 -16.414 1.00 0.00 C ATOM 1734 C CYS B 114 4.184 8.804 -16.261 1.00 0.00 C ATOM 1735 O CYS B 114 3.472 7.800 -16.255 1.00 0.00 O ATOM 1736 CB CYS B 114 6.073 8.224 -17.853 1.00 0.00 C ATOM 1737 SG CYS B 114 7.870 8.010 -18.014 1.00 0.00 S ATOM 0 H CYS B 114 6.054 6.627 -15.917 1.00 0.00 H new ATOM 0 HA CYS B 114 6.187 9.570 -16.175 1.00 0.00 H new ATOM 0 HB2 CYS B 114 5.565 7.298 -18.121 1.00 0.00 H new ATOM 0 HB3 CYS B 114 5.728 8.989 -18.549 1.00 0.00 H new ATOM 0 HG CYS B 114 8.159 7.671 -19.235 1.00 0.00 H new ATOM 1743 N ILE B 115 3.674 10.036 -16.134 1.00 0.00 N ATOM 1744 CA ILE B 115 2.240 10.332 -15.918 1.00 0.00 C ATOM 1745 C ILE B 115 1.790 11.504 -16.819 1.00 0.00 C ATOM 1746 O ILE B 115 2.587 12.397 -17.122 1.00 0.00 O ATOM 1747 CB ILE B 115 1.943 10.583 -14.403 1.00 0.00 C ATOM 1748 CG1 ILE B 115 2.419 9.391 -13.532 1.00 0.00 C ATOM 1749 CG2 ILE B 115 0.449 10.883 -14.139 1.00 0.00 C ATOM 1750 CD1 ILE B 115 2.099 9.478 -12.034 1.00 0.00 C ATOM 0 H ILE B 115 4.252 10.875 -16.178 1.00 0.00 H new ATOM 0 HA ILE B 115 1.650 9.462 -16.208 1.00 0.00 H new ATOM 0 HB ILE B 115 2.509 11.470 -14.118 1.00 0.00 H new ATOM 0 HG12 ILE B 115 1.971 8.478 -13.926 1.00 0.00 H new ATOM 0 HG13 ILE B 115 3.498 9.292 -13.647 1.00 0.00 H new ATOM 0 HG21 ILE B 115 0.294 11.050 -13.073 1.00 0.00 H new ATOM 0 HG22 ILE B 115 0.154 11.774 -14.693 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -0.155 10.036 -14.465 1.00 0.00 H new ATOM 0 HD11 ILE B 115 2.480 8.590 -11.529 1.00 0.00 H new ATOM 0 HD12 ILE B 115 2.570 10.366 -11.612 1.00 0.00 H new ATOM 0 HD13 ILE B 115 1.020 9.540 -11.896 1.00 0.00 H new ATOM 1762 N GLU B 116 0.517 11.510 -17.230 1.00 0.00 N ATOM 1763 CA GLU B 116 -0.178 12.702 -17.733 1.00 0.00 C ATOM 1764 C GLU B 116 -1.523 12.859 -16.997 1.00 0.00 C ATOM 1765 O GLU B 116 -2.406 12.010 -17.139 1.00 0.00 O ATOM 1766 CB GLU B 116 -0.376 12.623 -19.265 1.00 0.00 C ATOM 1767 CG GLU B 116 -0.742 13.993 -19.848 1.00 0.00 C ATOM 1768 CD GLU B 116 -1.449 13.919 -21.201 1.00 0.00 C ATOM 1769 OE1 GLU B 116 -0.851 13.524 -22.230 1.00 0.00 O ATOM 1770 OE2 GLU B 116 -2.641 14.292 -21.273 1.00 0.00 O ATOM 0 H GLU B 116 -0.069 10.675 -17.223 1.00 0.00 H new ATOM 0 HA GLU B 116 0.433 13.583 -17.536 1.00 0.00 H new ATOM 0 HB2 GLU B 116 0.538 12.258 -19.734 1.00 0.00 H new ATOM 0 HB3 GLU B 116 -1.162 11.905 -19.496 1.00 0.00 H new ATOM 0 HG2 GLU B 116 -1.384 14.518 -19.141 1.00 0.00 H new ATOM 0 HG3 GLU B 116 0.166 14.586 -19.955 1.00 0.00 H new ATOM 1777 N SER B 117 -1.701 13.926 -16.211 1.00 0.00 N ATOM 1778 CA SER B 117 -2.877 14.104 -15.336 1.00 0.00 C ATOM 1779 C SER B 117 -3.429 15.542 -15.239 1.00 0.00 C ATOM 1780 O SER B 117 -2.693 16.531 -15.190 1.00 0.00 O ATOM 1781 CB SER B 117 -2.540 13.605 -13.924 1.00 0.00 C ATOM 1782 OG SER B 117 -3.636 13.772 -13.035 1.00 0.00 O ATOM 0 H SER B 117 -1.034 14.696 -16.160 1.00 0.00 H new ATOM 0 HA SER B 117 -3.669 13.520 -15.805 1.00 0.00 H new ATOM 0 HB2 SER B 117 -2.262 12.552 -13.966 1.00 0.00 H new ATOM 0 HB3 SER B 117 -1.675 14.148 -13.542 1.00 0.00 H new ATOM 0 HG SER B 117 -3.805 12.930 -12.562 1.00 0.00 H new ATOM 1788 N GLU B 118 -4.759 15.650 -15.120 1.00 0.00 N ATOM 1789 CA GLU B 118 -5.522 16.881 -14.852 1.00 0.00 C ATOM 1790 C GLU B 118 -5.478 17.379 -13.389 1.00 0.00 C ATOM 1791 O GLU B 118 -6.169 18.341 -13.042 1.00 0.00 O ATOM 1792 CB GLU B 118 -6.985 16.655 -15.280 1.00 0.00 C ATOM 1793 CG GLU B 118 -7.742 15.645 -14.400 1.00 0.00 C ATOM 1794 CD GLU B 118 -9.206 15.566 -14.803 1.00 0.00 C ATOM 1795 OE1 GLU B 118 -9.990 16.463 -14.410 1.00 0.00 O ATOM 1796 OE2 GLU B 118 -9.606 14.625 -15.526 1.00 0.00 O ATOM 0 H GLU B 118 -5.367 14.837 -15.213 1.00 0.00 H new ATOM 0 HA GLU B 118 -5.041 17.669 -15.432 1.00 0.00 H new ATOM 0 HB2 GLU B 118 -7.512 17.609 -15.257 1.00 0.00 H new ATOM 0 HB3 GLU B 118 -7.002 16.307 -16.313 1.00 0.00 H new ATOM 0 HG2 GLU B 118 -7.282 14.661 -14.491 1.00 0.00 H new ATOM 0 HG3 GLU B 118 -7.664 15.938 -13.353 1.00 0.00 H new ATOM 1803 N HIS B 119 -4.743 16.705 -12.504 1.00 0.00 N ATOM 1804 CA HIS B 119 -4.717 16.993 -11.065 1.00 0.00 C ATOM 1805 C HIS B 119 -3.527 17.871 -10.627 1.00 0.00 C ATOM 1806 O HIS B 119 -2.584 18.111 -11.390 1.00 0.00 O ATOM 1807 CB HIS B 119 -4.771 15.654 -10.308 1.00 0.00 C ATOM 1808 CG HIS B 119 -6.099 14.958 -10.482 1.00 0.00 C ATOM 1809 ND1 HIS B 119 -7.337 15.541 -10.332 1.00 0.00 N ATOM 1810 CD2 HIS B 119 -6.311 13.665 -10.877 1.00 0.00 C ATOM 1811 CE1 HIS B 119 -8.269 14.634 -10.654 1.00 0.00 C ATOM 1812 NE2 HIS B 119 -7.695 13.461 -10.978 1.00 0.00 N ATOM 0 H HIS B 119 -4.137 15.929 -12.770 1.00 0.00 H new ATOM 0 HA HIS B 119 -5.590 17.597 -10.817 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -3.972 15.004 -10.664 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -4.590 15.830 -9.248 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -5.546 12.930 -11.076 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -9.333 14.819 -10.654 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -8.170 12.598 -11.243 1.00 0.00 H new ATOM 1820 N SER B 120 -3.571 18.354 -9.383 1.00 0.00 N ATOM 1821 CA SER B 120 -2.448 19.047 -8.737 1.00 0.00 C ATOM 1822 C SER B 120 -1.397 18.059 -8.205 1.00 0.00 C ATOM 1823 O SER B 120 -1.711 16.918 -7.851 1.00 0.00 O ATOM 1824 CB SER B 120 -2.948 19.959 -7.601 1.00 0.00 C ATOM 1825 OG SER B 120 -3.761 21.020 -8.085 1.00 0.00 O ATOM 0 H SER B 120 -4.395 18.275 -8.787 1.00 0.00 H new ATOM 0 HA SER B 120 -1.969 19.664 -9.498 1.00 0.00 H new ATOM 0 HB2 SER B 120 -3.516 19.366 -6.884 1.00 0.00 H new ATOM 0 HB3 SER B 120 -2.093 20.373 -7.066 1.00 0.00 H new ATOM 0 HG SER B 120 -4.059 21.573 -7.333 1.00 0.00 H new ATOM 1831 N MET B 121 -0.131 18.485 -8.129 1.00 0.00 N ATOM 1832 CA MET B 121 0.990 17.584 -7.823 1.00 0.00 C ATOM 1833 C MET B 121 0.929 16.994 -6.411 1.00 0.00 C ATOM 1834 O MET B 121 1.283 15.830 -6.245 1.00 0.00 O ATOM 1835 CB MET B 121 2.333 18.278 -8.091 1.00 0.00 C ATOM 1836 CG MET B 121 2.477 18.615 -9.582 1.00 0.00 C ATOM 1837 SD MET B 121 4.133 19.124 -10.113 1.00 0.00 S ATOM 1838 CE MET B 121 4.258 20.715 -9.259 1.00 0.00 C ATOM 0 H MET B 121 0.146 19.456 -8.276 1.00 0.00 H new ATOM 0 HA MET B 121 0.899 16.733 -8.498 1.00 0.00 H new ATOM 0 HB2 MET B 121 2.402 19.190 -7.498 1.00 0.00 H new ATOM 0 HB3 MET B 121 3.152 17.631 -7.778 1.00 0.00 H new ATOM 0 HG2 MET B 121 2.181 17.742 -10.164 1.00 0.00 H new ATOM 0 HG3 MET B 121 1.776 19.413 -9.825 1.00 0.00 H new ATOM 0 HE1 MET B 121 5.224 21.170 -9.477 1.00 0.00 H new ATOM 0 HE2 MET B 121 3.460 21.375 -9.600 1.00 0.00 H new ATOM 0 HE3 MET B 121 4.165 20.559 -8.184 1.00 0.00 H new ATOM 1848 N ASP B 122 0.410 17.720 -5.415 1.00 0.00 N ATOM 1849 CA ASP B 122 0.166 17.171 -4.070 1.00 0.00 C ATOM 1850 C ASP B 122 -0.805 15.982 -4.089 1.00 0.00 C ATOM 1851 O ASP B 122 -0.613 15.040 -3.326 1.00 0.00 O ATOM 1852 CB ASP B 122 -0.381 18.261 -3.139 1.00 0.00 C ATOM 1853 CG ASP B 122 -0.467 17.787 -1.678 1.00 0.00 C ATOM 1854 OD1 ASP B 122 0.556 17.854 -0.960 1.00 0.00 O ATOM 1855 OD2 ASP B 122 -1.574 17.436 -1.203 1.00 0.00 O ATOM 0 H ASP B 122 0.147 18.701 -5.514 1.00 0.00 H new ATOM 0 HA ASP B 122 1.126 16.811 -3.699 1.00 0.00 H new ATOM 0 HB2 ASP B 122 0.260 19.141 -3.197 1.00 0.00 H new ATOM 0 HB3 ASP B 122 -1.371 18.564 -3.480 1.00 0.00 H new ATOM 1860 N THR B 123 -1.810 15.989 -4.976 1.00 0.00 N ATOM 1861 CA THR B 123 -2.800 14.908 -5.123 1.00 0.00 C ATOM 1862 C THR B 123 -2.135 13.644 -5.662 1.00 0.00 C ATOM 1863 O THR B 123 -2.383 12.544 -5.161 1.00 0.00 O ATOM 1864 CB THR B 123 -3.922 15.359 -6.067 1.00 0.00 C ATOM 1865 OG1 THR B 123 -4.384 16.639 -5.691 1.00 0.00 O ATOM 1866 CG2 THR B 123 -5.108 14.395 -6.041 1.00 0.00 C ATOM 0 H THR B 123 -1.962 16.761 -5.625 1.00 0.00 H new ATOM 0 HA THR B 123 -3.224 14.683 -4.144 1.00 0.00 H new ATOM 0 HB THR B 123 -3.505 15.379 -7.074 1.00 0.00 H new ATOM 0 HG1 THR B 123 -5.099 16.921 -6.299 1.00 0.00 H new ATOM 0 HG21 THR B 123 -5.881 14.750 -6.723 1.00 0.00 H new ATOM 0 HG22 THR B 123 -4.778 13.404 -6.351 1.00 0.00 H new ATOM 0 HG23 THR B 123 -5.512 14.343 -5.030 1.00 0.00 H new ATOM 1874 N LEU B 124 -1.255 13.806 -6.655 1.00 0.00 N ATOM 1875 CA LEU B 124 -0.445 12.727 -7.226 1.00 0.00 C ATOM 1876 C LEU B 124 0.547 12.178 -6.190 1.00 0.00 C ATOM 1877 O LEU B 124 0.573 10.972 -5.952 1.00 0.00 O ATOM 1878 CB LEU B 124 0.278 13.239 -8.492 1.00 0.00 C ATOM 1879 CG LEU B 124 -0.655 13.696 -9.636 1.00 0.00 C ATOM 1880 CD1 LEU B 124 0.176 14.301 -10.776 1.00 0.00 C ATOM 1881 CD2 LEU B 124 -1.501 12.533 -10.178 1.00 0.00 C ATOM 0 H LEU B 124 -1.083 14.711 -7.093 1.00 0.00 H new ATOM 0 HA LEU B 124 -1.097 11.901 -7.511 1.00 0.00 H new ATOM 0 HB2 LEU B 124 0.921 14.073 -8.213 1.00 0.00 H new ATOM 0 HB3 LEU B 124 0.927 12.448 -8.867 1.00 0.00 H new ATOM 0 HG LEU B 124 -1.333 14.447 -9.231 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -0.487 14.621 -11.579 1.00 0.00 H new ATOM 0 HD12 LEU B 124 0.735 15.159 -10.403 1.00 0.00 H new ATOM 0 HD13 LEU B 124 0.871 13.553 -11.156 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -2.144 12.894 -10.981 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -0.844 11.753 -10.562 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -2.116 12.126 -9.376 1.00 0.00 H new ATOM 1893 N LEU B 125 1.311 13.054 -5.529 1.00 0.00 N ATOM 1894 CA LEU B 125 2.286 12.695 -4.494 1.00 0.00 C ATOM 1895 C LEU B 125 1.626 12.038 -3.274 1.00 0.00 C ATOM 1896 O LEU B 125 2.194 11.098 -2.722 1.00 0.00 O ATOM 1897 CB LEU B 125 3.072 13.958 -4.084 1.00 0.00 C ATOM 1898 CG LEU B 125 4.042 14.497 -5.159 1.00 0.00 C ATOM 1899 CD1 LEU B 125 4.542 15.892 -4.756 1.00 0.00 C ATOM 1900 CD2 LEU B 125 5.243 13.561 -5.358 1.00 0.00 C ATOM 0 H LEU B 125 1.267 14.058 -5.704 1.00 0.00 H new ATOM 0 HA LEU B 125 2.969 11.954 -4.908 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.361 14.744 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU B 125 3.640 13.737 -3.180 1.00 0.00 H new ATOM 0 HG LEU B 125 3.497 14.554 -6.101 1.00 0.00 H new ATOM 0 HD11 LEU B 125 5.226 16.267 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU B 125 3.694 16.570 -4.664 1.00 0.00 H new ATOM 0 HD13 LEU B 125 5.062 15.830 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU B 125 5.903 13.973 -6.121 1.00 0.00 H new ATOM 0 HD22 LEU B 125 5.789 13.465 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU B 125 4.891 12.579 -5.675 1.00 0.00 H new ATOM 1912 N ALA B 126 0.433 12.480 -2.864 1.00 0.00 N ATOM 1913 CA ALA B 126 -0.333 11.872 -1.775 1.00 0.00 C ATOM 1914 C ALA B 126 -0.876 10.487 -2.150 1.00 0.00 C ATOM 1915 O ALA B 126 -0.882 9.597 -1.295 1.00 0.00 O ATOM 1916 CB ALA B 126 -1.477 12.817 -1.385 1.00 0.00 C ATOM 0 H ALA B 126 -0.033 13.283 -3.287 1.00 0.00 H new ATOM 0 HA ALA B 126 0.334 11.723 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA B 126 -2.055 12.374 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA B 126 -1.065 13.771 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA B 126 -2.125 12.978 -2.246 1.00 0.00 H new ATOM 1922 N THR B 127 -1.307 10.292 -3.405 1.00 0.00 N ATOM 1923 CA THR B 127 -1.783 9.004 -3.939 1.00 0.00 C ATOM 1924 C THR B 127 -0.639 7.999 -4.042 1.00 0.00 C ATOM 1925 O THR B 127 -0.773 6.883 -3.550 1.00 0.00 O ATOM 1926 CB THR B 127 -2.479 9.224 -5.287 1.00 0.00 C ATOM 1927 OG1 THR B 127 -3.590 10.060 -5.061 1.00 0.00 O ATOM 1928 CG2 THR B 127 -3.005 7.929 -5.901 1.00 0.00 C ATOM 0 H THR B 127 -1.336 11.043 -4.095 1.00 0.00 H new ATOM 0 HA THR B 127 -2.513 8.580 -3.249 1.00 0.00 H new ATOM 0 HB THR B 127 -1.748 9.652 -5.973 1.00 0.00 H new ATOM 0 HG1 THR B 127 -3.302 10.997 -5.068 1.00 0.00 H new ATOM 0 HG21 THR B 127 -3.487 8.148 -6.854 1.00 0.00 H new ATOM 0 HG22 THR B 127 -2.176 7.240 -6.064 1.00 0.00 H new ATOM 0 HG23 THR B 127 -3.728 7.473 -5.225 1.00 0.00 H new ATOM 1936 N LEU B 128 0.506 8.396 -4.602 1.00 0.00 N ATOM 1937 CA LEU B 128 1.716 7.566 -4.668 1.00 0.00 C ATOM 1938 C LEU B 128 2.183 7.151 -3.266 1.00 0.00 C ATOM 1939 O LEU B 128 2.315 5.959 -2.977 1.00 0.00 O ATOM 1940 CB LEU B 128 2.808 8.355 -5.421 1.00 0.00 C ATOM 1941 CG LEU B 128 2.580 8.467 -6.945 1.00 0.00 C ATOM 1942 CD1 LEU B 128 3.494 9.545 -7.549 1.00 0.00 C ATOM 1943 CD2 LEU B 128 2.859 7.127 -7.641 1.00 0.00 C ATOM 0 H LEU B 128 0.623 9.315 -5.029 1.00 0.00 H new ATOM 0 HA LEU B 128 1.501 6.643 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU B 128 2.869 9.359 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU B 128 3.771 7.877 -5.244 1.00 0.00 H new ATOM 0 HG LEU B 128 1.537 8.742 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU B 128 3.320 9.610 -8.623 1.00 0.00 H new ATOM 0 HD12 LEU B 128 3.275 10.508 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU B 128 4.536 9.283 -7.366 1.00 0.00 H new ATOM 0 HD21 LEU B 128 2.691 7.232 -8.713 1.00 0.00 H new ATOM 0 HD22 LEU B 128 3.893 6.833 -7.463 1.00 0.00 H new ATOM 0 HD23 LEU B 128 2.191 6.364 -7.242 1.00 0.00 H new ATOM 1955 N LYS B 129 2.372 8.116 -2.361 1.00 0.00 N ATOM 1956 CA LYS B 129 2.811 7.871 -0.986 1.00 0.00 C ATOM 1957 C LYS B 129 1.800 7.078 -0.139 1.00 0.00 C ATOM 1958 O LYS B 129 2.194 6.441 0.843 1.00 0.00 O ATOM 1959 CB LYS B 129 3.135 9.231 -0.366 1.00 0.00 C ATOM 1960 CG LYS B 129 3.850 9.100 0.979 1.00 0.00 C ATOM 1961 CD LYS B 129 4.348 10.470 1.420 1.00 0.00 C ATOM 1962 CE LYS B 129 5.074 10.325 2.750 1.00 0.00 C ATOM 1963 NZ LYS B 129 5.493 11.644 3.261 1.00 0.00 N ATOM 0 H LYS B 129 2.222 9.104 -2.567 1.00 0.00 H new ATOM 0 HA LYS B 129 3.693 7.230 -1.006 1.00 0.00 H new ATOM 0 HB2 LYS B 129 3.760 9.801 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS B 129 2.212 9.795 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS B 129 3.171 8.689 1.726 1.00 0.00 H new ATOM 0 HG3 LYS B 129 4.687 8.407 0.893 1.00 0.00 H new ATOM 0 HD2 LYS B 129 5.018 10.888 0.668 1.00 0.00 H new ATOM 0 HD3 LYS B 129 3.511 11.161 1.521 1.00 0.00 H new ATOM 0 HE2 LYS B 129 4.421 9.839 3.475 1.00 0.00 H new ATOM 0 HE3 LYS B 129 5.946 9.683 2.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 5.986 11.524 4.169 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 6.133 12.094 2.576 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 4.655 12.245 3.399 1.00 0.00 H new ATOM 1977 N LYS B 130 0.519 7.022 -0.535 1.00 0.00 N ATOM 1978 CA LYS B 130 -0.510 6.202 0.128 1.00 0.00 C ATOM 1979 C LYS B 130 -0.110 4.718 0.214 1.00 0.00 C ATOM 1980 O LYS B 130 -0.430 4.061 1.203 1.00 0.00 O ATOM 1981 CB LYS B 130 -1.856 6.348 -0.610 1.00 0.00 C ATOM 1982 CG LYS B 130 -3.057 6.383 0.350 1.00 0.00 C ATOM 1983 CD LYS B 130 -3.254 7.761 1.010 1.00 0.00 C ATOM 1984 CE LYS B 130 -3.714 8.855 0.028 1.00 0.00 C ATOM 1985 NZ LYS B 130 -5.161 8.771 -0.290 1.00 0.00 N ATOM 0 H LYS B 130 0.164 7.550 -1.332 1.00 0.00 H new ATOM 0 HA LYS B 130 -0.610 6.568 1.150 1.00 0.00 H new ATOM 0 HB2 LYS B 130 -1.843 7.262 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS B 130 -1.976 5.518 -1.306 1.00 0.00 H new ATOM 0 HG2 LYS B 130 -3.961 6.114 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS B 130 -2.918 5.630 1.126 1.00 0.00 H new ATOM 0 HD2 LYS B 130 -3.989 7.670 1.810 1.00 0.00 H new ATOM 0 HD3 LYS B 130 -2.317 8.070 1.472 1.00 0.00 H new ATOM 0 HE2 LYS B 130 -3.497 9.834 0.454 1.00 0.00 H new ATOM 0 HE3 LYS B 130 -3.139 8.774 -0.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 130 -5.415 9.530 -0.954 1.00 0.00 H new ATOM 0 HZ2 LYS B 130 -5.368 7.848 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS B 130 -5.715 8.876 0.584 1.00 0.00 H new ATOM 1999 N THR B 131 0.664 4.234 -0.773 1.00 0.00 N ATOM 2000 CA THR B 131 1.237 2.875 -0.832 1.00 0.00 C ATOM 2001 C THR B 131 2.259 2.558 0.264 1.00 0.00 C ATOM 2002 O THR B 131 2.703 1.414 0.332 1.00 0.00 O ATOM 2003 CB THR B 131 1.869 2.588 -2.202 1.00 0.00 C ATOM 2004 OG1 THR B 131 2.999 3.405 -2.407 1.00 0.00 O ATOM 2005 CG2 THR B 131 0.898 2.772 -3.366 1.00 0.00 C ATOM 0 H THR B 131 0.918 4.799 -1.583 1.00 0.00 H new ATOM 0 HA THR B 131 0.381 2.222 -0.663 1.00 0.00 H new ATOM 0 HB THR B 131 2.160 1.538 -2.183 1.00 0.00 H new ATOM 0 HG1 THR B 131 2.709 4.319 -2.612 1.00 0.00 H new ATOM 0 HG21 THR B 131 1.409 2.553 -4.304 1.00 0.00 H new ATOM 0 HG22 THR B 131 0.053 2.093 -3.246 1.00 0.00 H new ATOM 0 HG23 THR B 131 0.538 3.801 -3.380 1.00 0.00 H new ATOM 2013 N GLY B 132 2.659 3.535 1.088 1.00 0.00 N ATOM 2014 CA GLY B 132 3.643 3.364 2.161 1.00 0.00 C ATOM 2015 C GLY B 132 5.071 3.422 1.630 1.00 0.00 C ATOM 2016 O GLY B 132 5.807 2.457 1.806 1.00 0.00 O ATOM 0 H GLY B 132 2.299 4.487 1.025 1.00 0.00 H new ATOM 0 HA2 GLY B 132 3.502 4.142 2.912 1.00 0.00 H new ATOM 0 HA3 GLY B 132 3.478 2.408 2.658 1.00 0.00 H new ATOM 2020 N LYS B 133 5.443 4.494 0.923 1.00 0.00 N ATOM 2021 CA LYS B 133 6.739 4.626 0.233 1.00 0.00 C ATOM 2022 C LYS B 133 7.192 6.070 0.003 1.00 0.00 C ATOM 2023 O LYS B 133 6.395 6.929 -0.381 1.00 0.00 O ATOM 2024 CB LYS B 133 6.697 3.838 -1.096 1.00 0.00 C ATOM 2025 CG LYS B 133 7.411 2.476 -1.001 1.00 0.00 C ATOM 2026 CD LYS B 133 6.791 1.392 -1.895 1.00 0.00 C ATOM 2027 CE LYS B 133 5.358 1.006 -1.489 1.00 0.00 C ATOM 2028 NZ LYS B 133 5.284 0.439 -0.120 1.00 0.00 N ATOM 0 H LYS B 133 4.844 5.312 0.810 1.00 0.00 H new ATOM 0 HA LYS B 133 7.490 4.203 0.900 1.00 0.00 H new ATOM 0 HB2 LYS B 133 5.659 3.680 -1.388 1.00 0.00 H new ATOM 0 HB3 LYS B 133 7.162 4.433 -1.882 1.00 0.00 H new ATOM 0 HG2 LYS B 133 8.458 2.605 -1.274 1.00 0.00 H new ATOM 0 HG3 LYS B 133 7.391 2.136 0.035 1.00 0.00 H new ATOM 0 HD2 LYS B 133 6.786 1.743 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS B 133 7.421 0.503 -1.864 1.00 0.00 H new ATOM 0 HE2 LYS B 133 4.718 1.887 -1.548 1.00 0.00 H new ATOM 0 HE3 LYS B 133 4.966 0.279 -2.201 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 4.292 0.244 0.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 5.830 -0.445 -0.080 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 5.678 1.120 0.560 1.00 0.00 H new ATOM 2042 N THR B 134 8.503 6.292 0.170 1.00 0.00 N ATOM 2043 CA THR B 134 9.216 7.537 -0.132 1.00 0.00 C ATOM 2044 C THR B 134 9.075 7.857 -1.615 1.00 0.00 C ATOM 2045 O THR B 134 9.643 7.160 -2.456 1.00 0.00 O ATOM 2046 CB THR B 134 10.687 7.409 0.285 1.00 0.00 C ATOM 2047 OG1 THR B 134 10.729 7.215 1.681 1.00 0.00 O ATOM 2048 CG2 THR B 134 11.505 8.661 -0.034 1.00 0.00 C ATOM 0 H THR B 134 9.124 5.571 0.538 1.00 0.00 H new ATOM 0 HA THR B 134 8.782 8.362 0.434 1.00 0.00 H new ATOM 0 HB THR B 134 11.117 6.575 -0.271 1.00 0.00 H new ATOM 0 HG1 THR B 134 11.661 7.129 1.971 1.00 0.00 H new ATOM 0 HG21 THR B 134 12.537 8.512 0.283 1.00 0.00 H new ATOM 0 HG22 THR B 134 11.479 8.849 -1.107 1.00 0.00 H new ATOM 0 HG23 THR B 134 11.083 9.516 0.494 1.00 0.00 H new ATOM 2056 N VAL B 135 8.321 8.909 -1.915 1.00 0.00 N ATOM 2057 CA VAL B 135 8.041 9.423 -3.276 1.00 0.00 C ATOM 2058 C VAL B 135 8.846 10.694 -3.612 1.00 0.00 C ATOM 2059 O VAL B 135 9.166 11.495 -2.737 1.00 0.00 O ATOM 2060 CB VAL B 135 6.524 9.644 -3.499 1.00 0.00 C ATOM 2061 CG1 VAL B 135 5.922 10.749 -2.618 1.00 0.00 C ATOM 2062 CG2 VAL B 135 6.184 9.957 -4.966 1.00 0.00 C ATOM 0 H VAL B 135 7.861 9.461 -1.191 1.00 0.00 H new ATOM 0 HA VAL B 135 8.375 8.651 -3.969 1.00 0.00 H new ATOM 0 HB VAL B 135 6.077 8.692 -3.211 1.00 0.00 H new ATOM 0 HG11 VAL B 135 4.857 10.845 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL B 135 6.060 10.493 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL B 135 6.421 11.695 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL B 135 5.109 10.103 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL B 135 6.704 10.864 -5.274 1.00 0.00 H new ATOM 0 HG23 VAL B 135 6.498 9.126 -5.598 1.00 0.00 H new ATOM 2072 N SER B 136 9.170 10.889 -4.894 1.00 0.00 N ATOM 2073 CA SER B 136 9.863 12.068 -5.432 1.00 0.00 C ATOM 2074 C SER B 136 9.224 12.540 -6.753 1.00 0.00 C ATOM 2075 O SER B 136 9.074 11.739 -7.678 1.00 0.00 O ATOM 2076 CB SER B 136 11.334 11.713 -5.716 1.00 0.00 C ATOM 2077 OG SER B 136 11.996 11.148 -4.593 1.00 0.00 O ATOM 0 H SER B 136 8.949 10.203 -5.616 1.00 0.00 H new ATOM 0 HA SER B 136 9.787 12.864 -4.692 1.00 0.00 H new ATOM 0 HB2 SER B 136 11.378 11.010 -6.548 1.00 0.00 H new ATOM 0 HB3 SER B 136 11.865 12.612 -6.029 1.00 0.00 H new ATOM 0 HG SER B 136 12.924 10.941 -4.830 1.00 0.00 H new ATOM 2083 N TYR B 137 8.911 13.836 -6.889 1.00 0.00 N ATOM 2084 CA TYR B 137 8.666 14.483 -8.192 1.00 0.00 C ATOM 2085 C TYR B 137 10.003 14.802 -8.884 1.00 0.00 C ATOM 2086 O TYR B 137 10.897 15.361 -8.240 1.00 0.00 O ATOM 2087 CB TYR B 137 7.838 15.767 -7.988 1.00 0.00 C ATOM 2088 CG TYR B 137 7.772 16.705 -9.187 1.00 0.00 C ATOM 2089 CD1 TYR B 137 7.301 16.244 -10.433 1.00 0.00 C ATOM 2090 CD2 TYR B 137 8.199 18.044 -9.059 1.00 0.00 C ATOM 2091 CE1 TYR B 137 7.269 17.110 -11.544 1.00 0.00 C ATOM 2092 CE2 TYR B 137 8.155 18.919 -10.166 1.00 0.00 C ATOM 2093 CZ TYR B 137 7.689 18.453 -11.415 1.00 0.00 C ATOM 2094 OH TYR B 137 7.643 19.282 -12.496 1.00 0.00 O ATOM 0 H TYR B 137 8.819 14.471 -6.096 1.00 0.00 H new ATOM 0 HA TYR B 137 8.103 13.803 -8.832 1.00 0.00 H new ATOM 0 HB2 TYR B 137 6.822 15.483 -7.715 1.00 0.00 H new ATOM 0 HB3 TYR B 137 8.254 16.315 -7.143 1.00 0.00 H new ATOM 0 HD1 TYR B 137 6.963 15.223 -10.536 1.00 0.00 H new ATOM 0 HD2 TYR B 137 8.562 18.402 -8.107 1.00 0.00 H new ATOM 0 HE1 TYR B 137 6.922 16.745 -12.499 1.00 0.00 H new ATOM 0 HE2 TYR B 137 8.477 19.944 -10.058 1.00 0.00 H new ATOM 0 HH TYR B 137 7.965 20.172 -12.240 1.00 0.00 H new ATOM 2104 N LEU B 138 10.134 14.464 -10.173 1.00 0.00 N ATOM 2105 CA LEU B 138 11.374 14.567 -10.958 1.00 0.00 C ATOM 2106 C LEU B 138 11.125 15.203 -12.343 1.00 0.00 C ATOM 2107 O LEU B 138 11.533 14.669 -13.377 1.00 0.00 O ATOM 2108 CB LEU B 138 12.004 13.160 -11.079 1.00 0.00 C ATOM 2109 CG LEU B 138 12.404 12.471 -9.758 1.00 0.00 C ATOM 2110 CD1 LEU B 138 12.944 11.069 -10.075 1.00 0.00 C ATOM 2111 CD2 LEU B 138 13.470 13.255 -8.977 1.00 0.00 C ATOM 0 H LEU B 138 9.353 14.098 -10.718 1.00 0.00 H new ATOM 0 HA LEU B 138 12.070 15.229 -10.443 1.00 0.00 H new ATOM 0 HB2 LEU B 138 11.299 12.514 -11.601 1.00 0.00 H new ATOM 0 HB3 LEU B 138 12.892 13.236 -11.707 1.00 0.00 H new ATOM 0 HG LEU B 138 11.514 12.421 -9.130 1.00 0.00 H new ATOM 0 HD11 LEU B 138 13.230 10.571 -9.148 1.00 0.00 H new ATOM 0 HD12 LEU B 138 12.171 10.486 -10.576 1.00 0.00 H new ATOM 0 HD13 LEU B 138 13.814 11.153 -10.726 1.00 0.00 H new ATOM 0 HD21 LEU B 138 13.712 12.723 -8.057 1.00 0.00 H new ATOM 0 HD22 LEU B 138 14.368 13.353 -9.586 1.00 0.00 H new ATOM 0 HD23 LEU B 138 13.087 14.246 -8.733 1.00 0.00 H new ATOM 2123 N GLY B 139 10.528 16.397 -12.354 1.00 0.00 N ATOM 2124 CA GLY B 139 10.516 17.317 -13.497 1.00 0.00 C ATOM 2125 C GLY B 139 9.375 17.158 -14.507 1.00 0.00 C ATOM 2126 O GLY B 139 8.742 16.104 -14.639 1.00 0.00 O ATOM 0 H GLY B 139 10.025 16.762 -11.545 1.00 0.00 H new ATOM 0 HA2 GLY B 139 10.487 18.336 -13.111 1.00 0.00 H new ATOM 0 HA3 GLY B 139 11.459 17.205 -14.032 1.00 0.00 H new ATOM 2130 N LEU B 140 9.145 18.244 -15.251 1.00 0.00 N ATOM 2131 CA LEU B 140 8.065 18.413 -16.230 1.00 0.00 C ATOM 2132 C LEU B 140 8.457 17.893 -17.627 1.00 0.00 C ATOM 2133 O LEU B 140 9.638 17.869 -17.988 1.00 0.00 O ATOM 2134 CB LEU B 140 7.707 19.918 -16.253 1.00 0.00 C ATOM 2135 CG LEU B 140 6.344 20.284 -16.875 1.00 0.00 C ATOM 2136 CD1 LEU B 140 5.172 19.809 -15.999 1.00 0.00 C ATOM 2137 CD2 LEU B 140 6.248 21.806 -17.055 1.00 0.00 C ATOM 0 H LEU B 140 9.737 19.072 -15.184 1.00 0.00 H new ATOM 0 HA LEU B 140 7.198 17.819 -15.940 1.00 0.00 H new ATOM 0 HB2 LEU B 140 7.727 20.291 -15.229 1.00 0.00 H new ATOM 0 HB3 LEU B 140 8.487 20.447 -16.801 1.00 0.00 H new ATOM 0 HG LEU B 140 6.277 19.782 -17.840 1.00 0.00 H new ATOM 0 HD11 LEU B 140 4.229 20.086 -16.471 1.00 0.00 H new ATOM 0 HD12 LEU B 140 5.217 18.726 -15.887 1.00 0.00 H new ATOM 0 HD13 LEU B 140 5.238 20.279 -15.018 1.00 0.00 H new ATOM 0 HD21 LEU B 140 5.284 22.060 -17.495 1.00 0.00 H new ATOM 0 HD22 LEU B 140 6.345 22.294 -16.085 1.00 0.00 H new ATOM 0 HD23 LEU B 140 7.048 22.146 -17.713 1.00 0.00 H new ATOM 2149 N GLU B 141 7.470 17.505 -18.441 1.00 0.00 N ATOM 2150 CA GLU B 141 7.640 17.130 -19.862 1.00 0.00 C ATOM 2151 C GLU B 141 7.185 18.227 -20.831 1.00 0.00 C ATOM 2152 O GLU B 141 5.967 18.466 -20.991 1.00 0.00 O ATOM 2153 CB GLU B 141 6.911 15.808 -20.154 1.00 0.00 C ATOM 2154 CG GLU B 141 7.346 14.612 -19.292 1.00 0.00 C ATOM 2155 CD GLU B 141 8.846 14.301 -19.375 1.00 0.00 C ATOM 2156 OE1 GLU B 141 9.490 14.540 -20.426 1.00 0.00 O ATOM 2157 OE2 GLU B 141 9.417 13.782 -18.387 1.00 0.00 O ATOM 2158 OXT GLU B 141 8.072 18.846 -21.458 1.00 0.00 O ATOM 0 H GLU B 141 6.501 17.439 -18.128 1.00 0.00 H new ATOM 0 HA GLU B 141 8.709 16.998 -20.029 1.00 0.00 H new ATOM 0 HB2 GLU B 141 5.841 15.964 -20.015 1.00 0.00 H new ATOM 0 HB3 GLU B 141 7.063 15.553 -21.203 1.00 0.00 H new ATOM 0 HG2 GLU B 141 7.083 14.810 -18.253 1.00 0.00 H new ATOM 0 HG3 GLU B 141 6.784 13.730 -19.601 1.00 0.00 H new TER 2165 GLU B 141 HETATM 2166 CU CU A 142 4.778 -7.280 -2.424 1.00 0.00 CU