USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 976 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 50 LYS NZ :NH3+ 174:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 110 THR OG1 : rot -47:sc= 0.922 USER MOD Set 1.3: A 112 GLN : amide:sc= -0.742 K(o=1.4,f=-7.8!) USER MOD Set 2.1: A 89 THR OG1 : rot -120:sc= -0.313 USER MOD Set 2.2: A 92 GLN : amide:sc= 0.838 K(o=0.52,f=-0.46) USER MOD Set 3.1: A 78 MET CE :methyl 164:sc= -2.65! (180deg=-2.93) USER MOD Set 3.2: A 86 THR OG1 : rot 81:sc= 0.351 USER MOD Set 4.1: A 44 ASN : amide:sc= -3.77! C(o=-3.8!,f=-5.3!) USER MOD Set 4.2: A 56 TYR OH : rot 15:sc= -0.0775 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.16 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -1.5! C(o=-1.5!,f=-6.4!) USER MOD Single : A 10 THR OG1 : rot -28:sc= 0.0315 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.757 F(o=-3.2!,f=-0.76) USER MOD Single : A 19 HIS :FLIP no HD1:sc=-0.00214 F(o=-0.76,f=-0.0021) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= -0.0107 (180deg=-0.206) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.674 F(o=-1.9!,f=-0.67) USER MOD Single : A 26 ASN : amide:sc= 1.15 K(o=1.2,f=-0.097) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -2.56 F(o=-3.9!,f=-2.6) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.83! C(o=-3!,f=-1.8!) USER MOD Single : A 47 SER OG : rot 53:sc= 0.36 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.262) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 61 SER OG : rot -130:sc= -0.535 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.511 F(o=-1.9!,f=-0.51) USER MOD Single : A 76 LYS NZ :NH3+ -167:sc= 0.191! (180deg=-0.225!) USER MOD Single : A 79 GLN : amide:sc= -4.55! C(o=-4.5!,f=-6.3!) USER MOD Single : A 81 ASN : amide:sc= -1.76! C(o=-1.8!,f=-8.2!) USER MOD Single : A 85 MET CE :methyl 180:sc= -7.2! (180deg=-7.2!) USER MOD Single : A 87 MET CE :methyl -168:sc= -0.028 (180deg=-0.251) USER MOD Single : A 90 HIS : no HD1:sc= -0.914 K(o=-0.91,f=-1.9) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -29:sc= 0.712 USER MOD Single : A 99 LYS NZ :NH3+ 177:sc= 0.145 (180deg=-0.0892) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN :FLIP amide:sc= -0.0493 F(o=-0.71!,f=-0.049) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN :FLIP amide:sc= -0.0658 F(o=-2,f=-0.066) USER MOD Single : A 120 GLN : amide:sc= 1.49 K(o=1.5,f=-5.2!) USER MOD Single : A 121 SER OG : rot 74:sc= 0.627 USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= -0.0121 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.818 -7.008 -18.401 1.00 0.00 N ATOM 2 CA GLY A 1 7.443 -8.063 -17.613 1.00 0.00 C ATOM 3 C GLY A 1 6.500 -9.212 -17.434 1.00 0.00 C ATOM 4 O GLY A 1 5.374 -9.177 -17.943 1.00 0.00 O ATOM 0 H1 GLY A 1 7.427 -6.772 -19.210 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.893 -7.335 -18.747 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.687 -6.163 -17.809 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.352 -8.405 -18.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.738 -7.672 -16.639 1.00 0.00 H new ATOM 10 N SER A 2 6.927 -10.225 -16.733 1.00 0.00 N ATOM 11 CA SER A 2 6.107 -11.379 -16.501 1.00 0.00 C ATOM 12 C SER A 2 6.082 -11.675 -15.016 1.00 0.00 C ATOM 13 O SER A 2 7.055 -12.180 -14.459 1.00 0.00 O ATOM 14 CB SER A 2 6.649 -12.583 -17.281 1.00 0.00 C ATOM 15 OG SER A 2 6.779 -12.281 -18.675 1.00 0.00 O ATOM 0 H SER A 2 7.853 -10.273 -16.307 1.00 0.00 H new ATOM 0 HA SER A 2 5.092 -11.182 -16.847 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.619 -12.875 -16.877 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.981 -13.434 -17.151 1.00 0.00 H new ATOM 0 HG SER A 2 7.128 -13.065 -19.148 1.00 0.00 H new ATOM 21 N TYR A 3 5.015 -11.305 -14.375 1.00 0.00 N ATOM 22 CA TYR A 3 4.864 -11.527 -12.967 1.00 0.00 C ATOM 23 C TYR A 3 3.635 -12.361 -12.700 1.00 0.00 C ATOM 24 O TYR A 3 2.517 -11.985 -13.079 1.00 0.00 O ATOM 25 CB TYR A 3 4.792 -10.191 -12.207 1.00 0.00 C ATOM 26 CG TYR A 3 4.486 -10.336 -10.725 1.00 0.00 C ATOM 27 CD1 TYR A 3 5.452 -10.776 -9.830 1.00 0.00 C ATOM 28 CD2 TYR A 3 3.225 -10.028 -10.227 1.00 0.00 C ATOM 29 CE1 TYR A 3 5.169 -10.905 -8.483 1.00 0.00 C ATOM 30 CE2 TYR A 3 2.939 -10.153 -8.887 1.00 0.00 C ATOM 31 CZ TYR A 3 3.908 -10.591 -8.021 1.00 0.00 C ATOM 32 OH TYR A 3 3.616 -10.712 -6.684 1.00 0.00 O ATOM 0 H TYR A 3 4.221 -10.839 -14.814 1.00 0.00 H new ATOM 0 HA TYR A 3 5.737 -12.071 -12.607 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.742 -9.668 -12.322 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.026 -9.565 -12.666 1.00 0.00 H new ATOM 0 HD1 TYR A 3 6.440 -11.021 -10.192 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.457 -9.685 -10.904 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.930 -11.249 -7.798 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.954 -9.907 -8.518 1.00 0.00 H new ATOM 0 HH TYR A 3 2.685 -10.450 -6.528 1.00 0.00 H new ATOM 42 N ILE A 4 3.838 -13.480 -12.079 1.00 0.00 N ATOM 43 CA ILE A 4 2.761 -14.335 -11.696 1.00 0.00 C ATOM 44 C ILE A 4 2.587 -14.272 -10.173 1.00 0.00 C ATOM 45 O ILE A 4 3.477 -14.669 -9.413 1.00 0.00 O ATOM 46 CB ILE A 4 2.958 -15.803 -12.206 1.00 0.00 C ATOM 47 CG1 ILE A 4 1.863 -16.733 -11.650 1.00 0.00 C ATOM 48 CG2 ILE A 4 4.358 -16.326 -11.905 1.00 0.00 C ATOM 49 CD1 ILE A 4 1.963 -18.173 -12.113 1.00 0.00 C ATOM 0 H ILE A 4 4.762 -13.828 -11.822 1.00 0.00 H new ATOM 0 HA ILE A 4 1.846 -13.981 -12.172 1.00 0.00 H new ATOM 0 HB ILE A 4 2.858 -15.791 -13.291 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.905 -16.712 -10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.889 -16.339 -11.939 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.452 -17.347 -12.275 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.097 -15.692 -12.396 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.527 -16.313 -10.828 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.153 -18.754 -11.673 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.888 -18.212 -13.200 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.920 -18.590 -11.800 1.00 0.00 H new ATOM 61 N PRO A 5 1.480 -13.691 -9.706 1.00 0.00 N ATOM 62 CA PRO A 5 1.211 -13.571 -8.284 1.00 0.00 C ATOM 63 C PRO A 5 0.799 -14.895 -7.651 1.00 0.00 C ATOM 64 O PRO A 5 0.426 -15.857 -8.345 1.00 0.00 O ATOM 65 CB PRO A 5 0.048 -12.587 -8.212 1.00 0.00 C ATOM 66 CG PRO A 5 -0.643 -12.709 -9.527 1.00 0.00 C ATOM 67 CD PRO A 5 0.416 -13.076 -10.527 1.00 0.00 C ATOM 0 HA PRO A 5 2.100 -13.250 -7.742 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.624 -12.830 -7.389 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.402 -11.570 -8.045 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.422 -13.471 -9.488 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.128 -11.772 -9.800 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.036 -13.772 -11.275 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.781 -12.200 -11.063 1.00 0.00 H new ATOM 75 N GLY A 6 0.847 -14.930 -6.352 1.00 0.00 N ATOM 76 CA GLY A 6 0.448 -16.089 -5.607 1.00 0.00 C ATOM 77 C GLY A 6 -0.933 -15.900 -5.039 1.00 0.00 C ATOM 78 O GLY A 6 -1.157 -16.091 -3.842 1.00 0.00 O ATOM 0 H GLY A 6 1.166 -14.151 -5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.465 -16.967 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 6 1.158 -16.272 -4.800 1.00 0.00 H new ATOM 82 N GLN A 7 -1.859 -15.506 -5.902 1.00 0.00 N ATOM 83 CA GLN A 7 -3.226 -15.253 -5.502 1.00 0.00 C ATOM 84 C GLN A 7 -3.940 -16.531 -5.087 1.00 0.00 C ATOM 85 O GLN A 7 -3.979 -17.516 -5.844 1.00 0.00 O ATOM 86 CB GLN A 7 -4.003 -14.528 -6.594 1.00 0.00 C ATOM 87 CG GLN A 7 -5.473 -14.292 -6.267 1.00 0.00 C ATOM 88 CD GLN A 7 -6.218 -13.526 -7.342 1.00 0.00 C ATOM 89 OE1 GLN A 7 -5.648 -12.696 -8.051 1.00 0.00 O ATOM 90 NE2 GLN A 7 -7.480 -13.790 -7.472 1.00 0.00 N ATOM 0 H GLN A 7 -1.679 -15.355 -6.895 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.185 -14.601 -4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.527 -13.566 -6.785 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.936 -15.106 -7.516 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.962 -15.254 -6.113 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.544 -13.745 -5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -7.921 -14.484 -6.868 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.033 -13.304 -8.179 1.00 0.00 H new ATOM 99 N PRO A 8 -4.466 -16.541 -3.869 1.00 0.00 N ATOM 100 CA PRO A 8 -5.213 -17.656 -3.348 1.00 0.00 C ATOM 101 C PRO A 8 -6.720 -17.566 -3.706 1.00 0.00 C ATOM 102 O PRO A 8 -7.097 -17.725 -4.865 1.00 0.00 O ATOM 103 CB PRO A 8 -4.971 -17.529 -1.841 1.00 0.00 C ATOM 104 CG PRO A 8 -4.886 -16.047 -1.608 1.00 0.00 C ATOM 105 CD PRO A 8 -4.318 -15.459 -2.877 1.00 0.00 C ATOM 0 HA PRO A 8 -4.904 -18.617 -3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.783 -17.977 -1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.052 -18.033 -1.541 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.869 -15.629 -1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.247 -15.822 -0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.860 -14.563 -3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.274 -15.172 -2.752 1.00 0.00 H new ATOM 113 N VAL A 9 -7.558 -17.246 -2.717 1.00 0.00 N ATOM 114 CA VAL A 9 -9.012 -17.180 -2.894 1.00 0.00 C ATOM 115 C VAL A 9 -9.622 -16.003 -2.114 1.00 0.00 C ATOM 116 O VAL A 9 -10.526 -15.328 -2.589 1.00 0.00 O ATOM 117 CB VAL A 9 -9.721 -18.511 -2.467 1.00 0.00 C ATOM 118 CG1 VAL A 9 -9.438 -19.636 -3.456 1.00 0.00 C ATOM 119 CG2 VAL A 9 -9.282 -18.945 -1.073 1.00 0.00 C ATOM 0 H VAL A 9 -7.248 -17.025 -1.771 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.181 -17.027 -3.960 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.792 -18.310 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.945 -20.544 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.802 -19.353 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.364 -19.817 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.790 -19.871 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.204 -19.107 -1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.538 -18.168 -0.353 1.00 0.00 H new ATOM 129 N THR A 10 -9.100 -15.772 -0.926 1.00 0.00 N ATOM 130 CA THR A 10 -9.552 -14.702 -0.031 1.00 0.00 C ATOM 131 C THR A 10 -9.033 -13.335 -0.499 1.00 0.00 C ATOM 132 O THR A 10 -9.481 -12.281 -0.041 1.00 0.00 O ATOM 133 CB THR A 10 -9.059 -15.003 1.417 1.00 0.00 C ATOM 134 OG1 THR A 10 -9.551 -14.039 2.358 1.00 0.00 O ATOM 135 CG2 THR A 10 -7.531 -15.057 1.494 1.00 0.00 C ATOM 0 H THR A 10 -8.336 -16.327 -0.540 1.00 0.00 H new ATOM 0 HA THR A 10 -10.641 -14.665 -0.046 1.00 0.00 H new ATOM 0 HB THR A 10 -9.459 -15.982 1.679 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.700 -13.184 1.903 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.226 -15.269 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.161 -15.843 0.835 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.117 -14.098 1.183 1.00 0.00 H new ATOM 143 N ALA A 11 -8.103 -13.373 -1.403 1.00 0.00 N ATOM 144 CA ALA A 11 -7.496 -12.186 -1.923 1.00 0.00 C ATOM 145 C ALA A 11 -7.483 -12.209 -3.432 1.00 0.00 C ATOM 146 O ALA A 11 -7.400 -13.280 -4.034 1.00 0.00 O ATOM 147 CB ALA A 11 -6.087 -12.080 -1.411 1.00 0.00 C ATOM 0 H ALA A 11 -7.740 -14.237 -1.805 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.077 -11.324 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.623 -11.176 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.098 -12.036 -0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.516 -12.951 -1.733 1.00 0.00 H new ATOM 153 N VAL A 12 -7.581 -11.033 -4.022 1.00 0.00 N ATOM 154 CA VAL A 12 -7.489 -10.838 -5.471 1.00 0.00 C ATOM 155 C VAL A 12 -6.420 -9.777 -5.727 1.00 0.00 C ATOM 156 O VAL A 12 -6.319 -8.818 -4.965 1.00 0.00 O ATOM 157 CB VAL A 12 -8.855 -10.368 -6.088 1.00 0.00 C ATOM 158 CG1 VAL A 12 -8.742 -10.132 -7.594 1.00 0.00 C ATOM 159 CG2 VAL A 12 -9.950 -11.383 -5.813 1.00 0.00 C ATOM 0 H VAL A 12 -7.729 -10.166 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.233 -11.786 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.113 -9.423 -5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.707 -9.808 -7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.995 -9.362 -7.787 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.444 -11.058 -8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.886 -11.036 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.677 -12.341 -6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.074 -11.502 -4.737 1.00 0.00 H new ATOM 169 N VAL A 13 -5.608 -9.959 -6.741 1.00 0.00 N ATOM 170 CA VAL A 13 -4.544 -9.008 -7.052 1.00 0.00 C ATOM 171 C VAL A 13 -5.024 -8.051 -8.153 1.00 0.00 C ATOM 172 O VAL A 13 -5.649 -8.481 -9.116 1.00 0.00 O ATOM 173 CB VAL A 13 -3.277 -9.740 -7.569 1.00 0.00 C ATOM 174 CG1 VAL A 13 -2.073 -8.813 -7.624 1.00 0.00 C ATOM 175 CG2 VAL A 13 -2.973 -10.995 -6.769 1.00 0.00 C ATOM 0 H VAL A 13 -5.657 -10.758 -7.373 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.299 -8.464 -6.140 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.494 -10.056 -8.589 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.207 -9.363 -7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.285 -7.981 -8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.863 -8.430 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.078 -11.473 -7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.808 -10.730 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.814 -11.684 -6.840 1.00 0.00 H new ATOM 185 N GLN A 14 -4.741 -6.777 -8.007 1.00 0.00 N ATOM 186 CA GLN A 14 -5.110 -5.785 -9.000 1.00 0.00 C ATOM 187 C GLN A 14 -3.946 -4.811 -9.171 1.00 0.00 C ATOM 188 O GLN A 14 -3.177 -4.587 -8.220 1.00 0.00 O ATOM 189 CB GLN A 14 -6.431 -5.081 -8.599 1.00 0.00 C ATOM 190 CG GLN A 14 -6.388 -4.328 -7.279 1.00 0.00 C ATOM 191 CD GLN A 14 -6.284 -2.825 -7.455 1.00 0.00 C ATOM 192 OE1 GLN A 14 -5.091 -2.327 -7.579 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -7.293 -2.127 -7.505 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.249 -6.396 -7.199 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.300 -6.258 -9.963 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.706 -4.382 -9.389 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.222 -5.830 -8.546 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.286 -4.560 -6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.538 -4.679 -6.695 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.214 -2.554 -7.403 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.210 -1.120 -7.648 1.00 0.00 H new ATOM 202 N ARG A 15 -3.806 -4.236 -10.334 1.00 0.00 N ATOM 203 CA ARG A 15 -2.666 -3.389 -10.614 1.00 0.00 C ATOM 204 C ARG A 15 -3.007 -1.918 -10.394 1.00 0.00 C ATOM 205 O ARG A 15 -4.163 -1.520 -10.467 1.00 0.00 O ATOM 206 CB ARG A 15 -2.114 -3.666 -12.056 1.00 0.00 C ATOM 207 CG ARG A 15 -3.003 -3.217 -13.227 1.00 0.00 C ATOM 208 CD ARG A 15 -2.814 -1.736 -13.534 1.00 0.00 C ATOM 209 NE ARG A 15 -3.836 -1.208 -14.426 1.00 0.00 N ATOM 210 CZ ARG A 15 -4.071 0.090 -14.620 1.00 0.00 C ATOM 211 NH1 ARG A 15 -3.239 1.002 -14.111 1.00 0.00 N ATOM 212 NH2 ARG A 15 -5.102 0.478 -15.345 1.00 0.00 N ATOM 0 H ARG A 15 -4.464 -4.335 -11.107 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.870 -3.633 -9.911 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.147 -3.172 -12.152 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.936 -4.737 -12.154 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.766 -3.807 -14.113 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.049 -3.410 -12.986 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.826 -1.172 -12.601 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.833 -1.586 -13.984 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.412 -1.877 -14.938 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.424 0.706 -13.574 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.418 1.995 -14.259 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.724 -0.216 -15.760 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.278 1.472 -15.491 1.00 0.00 H new ATOM 226 N VAL A 16 -2.006 -1.128 -10.120 1.00 0.00 N ATOM 227 CA VAL A 16 -2.165 0.296 -9.965 1.00 0.00 C ATOM 228 C VAL A 16 -1.051 0.939 -10.765 1.00 0.00 C ATOM 229 O VAL A 16 -0.015 0.313 -10.981 1.00 0.00 O ATOM 230 CB VAL A 16 -1.990 0.787 -8.499 1.00 0.00 C ATOM 231 CG1 VAL A 16 -2.790 2.021 -8.249 1.00 0.00 C ATOM 232 CG2 VAL A 16 -2.244 -0.270 -7.441 1.00 0.00 C ATOM 0 H VAL A 16 -1.048 -1.455 -9.996 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.173 0.557 -10.287 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.931 1.027 -8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.650 2.343 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.460 2.811 -8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.845 1.812 -8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.098 0.163 -6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.267 -0.636 -7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.549 -1.098 -7.580 1.00 0.00 H new ATOM 242 N GLU A 17 -1.239 2.144 -11.207 1.00 0.00 N ATOM 243 CA GLU A 17 -0.212 2.835 -11.935 1.00 0.00 C ATOM 244 C GLU A 17 -0.338 4.318 -11.710 1.00 0.00 C ATOM 245 O GLU A 17 -1.260 4.963 -12.214 1.00 0.00 O ATOM 246 CB GLU A 17 -0.251 2.461 -13.418 1.00 0.00 C ATOM 247 CG GLU A 17 0.737 3.215 -14.278 1.00 0.00 C ATOM 248 CD GLU A 17 0.822 2.686 -15.688 1.00 0.00 C ATOM 249 OE1 GLU A 17 -0.206 2.629 -16.384 1.00 0.00 O ATOM 250 OE2 GLU A 17 1.913 2.296 -16.124 1.00 0.00 O ATOM 0 H GLU A 17 -2.100 2.675 -11.077 1.00 0.00 H new ATOM 0 HA GLU A 17 0.766 2.527 -11.564 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.058 1.393 -13.516 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.256 2.640 -13.799 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.454 4.267 -14.308 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.723 3.163 -13.817 1.00 0.00 H new ATOM 257 N ILE A 18 0.552 4.834 -10.920 1.00 0.00 N ATOM 258 CA ILE A 18 0.549 6.231 -10.567 1.00 0.00 C ATOM 259 C ILE A 18 1.386 7.016 -11.533 1.00 0.00 C ATOM 260 O ILE A 18 2.530 6.662 -11.782 1.00 0.00 O ATOM 261 CB ILE A 18 1.056 6.495 -9.101 1.00 0.00 C ATOM 262 CG1 ILE A 18 -0.023 6.227 -8.043 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.623 7.892 -8.933 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.371 4.787 -7.821 1.00 0.00 C ATOM 0 H ILE A 18 1.309 4.298 -10.496 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.489 6.559 -10.617 1.00 0.00 H new ATOM 0 HB ILE A 18 1.862 5.779 -8.938 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.309 6.652 -7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.929 6.761 -8.331 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.960 8.027 -7.905 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.465 8.027 -9.611 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.852 8.628 -9.162 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.142 4.713 -7.054 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.741 4.355 -8.751 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.517 4.244 -7.496 1.00 0.00 H new ATOM 276 N HIS A 19 0.807 8.050 -12.079 1.00 0.00 N ATOM 277 CA HIS A 19 1.523 8.955 -12.936 1.00 0.00 C ATOM 278 C HIS A 19 1.986 10.146 -12.097 1.00 0.00 C ATOM 279 O HIS A 19 1.216 10.664 -11.290 1.00 0.00 O ATOM 280 CB HIS A 19 0.656 9.424 -14.121 1.00 0.00 C ATOM 281 CG HIS A 19 0.329 8.384 -15.169 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.620 7.066 -15.224 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.366 8.658 -16.327 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 0.112 6.526 -16.409 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.471 7.534 -17.028 1.00 0.00 N flip ATOM 0 H HIS A 19 -0.175 8.289 -11.942 1.00 0.00 H new ATOM 0 HA HIS A 19 2.383 8.440 -13.363 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.281 9.816 -13.725 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.167 10.253 -14.611 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.758 9.622 -16.616 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.182 5.502 -16.746 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.942 7.460 -17.930 1.00 0.00 H new ATOM 293 N LYS A 20 3.248 10.522 -12.286 1.00 0.00 N ATOM 294 CA LYS A 20 3.959 11.613 -11.566 1.00 0.00 C ATOM 295 C LYS A 20 3.086 12.796 -11.059 1.00 0.00 C ATOM 296 O LYS A 20 2.384 13.469 -11.837 1.00 0.00 O ATOM 297 CB LYS A 20 5.121 12.127 -12.434 1.00 0.00 C ATOM 298 CG LYS A 20 4.726 12.536 -13.853 1.00 0.00 C ATOM 299 CD LYS A 20 5.928 13.003 -14.664 1.00 0.00 C ATOM 300 CE LYS A 20 5.530 13.385 -16.083 1.00 0.00 C ATOM 301 NZ LYS A 20 4.985 12.233 -16.846 1.00 0.00 N ATOM 0 H LYS A 20 3.844 10.062 -12.974 1.00 0.00 H new ATOM 0 HA LYS A 20 4.321 11.153 -10.647 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.576 12.984 -11.937 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.883 11.350 -12.493 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.254 11.692 -14.356 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.986 13.335 -13.808 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.390 13.859 -14.172 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.677 12.211 -14.696 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.785 14.179 -16.047 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.398 13.786 -16.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.919 12.484 -17.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.615 11.413 -16.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.039 11.994 -16.486 1.00 0.00 H new ATOM 315 N LEU A 21 3.137 13.017 -9.749 1.00 0.00 N ATOM 316 CA LEU A 21 2.443 14.114 -9.083 1.00 0.00 C ATOM 317 C LEU A 21 3.454 15.006 -8.357 1.00 0.00 C ATOM 318 O LEU A 21 4.237 14.531 -7.544 1.00 0.00 O ATOM 319 CB LEU A 21 1.435 13.563 -8.060 1.00 0.00 C ATOM 320 CG LEU A 21 0.738 14.601 -7.165 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.217 15.462 -7.961 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.027 13.935 -6.004 1.00 0.00 C ATOM 0 H LEU A 21 3.671 12.429 -9.109 1.00 0.00 H new ATOM 0 HA LEU A 21 1.913 14.696 -9.836 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.669 13.007 -8.600 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.953 12.851 -7.418 1.00 0.00 H new ATOM 0 HG LEU A 21 1.511 15.252 -6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.693 16.185 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.333 15.990 -8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.980 14.832 -8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.456 14.694 -5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.725 13.245 -6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.750 13.386 -5.401 1.00 0.00 H new ATOM 334 N ARG A 22 3.431 16.272 -8.634 1.00 0.00 N ATOM 335 CA ARG A 22 4.330 17.205 -7.982 1.00 0.00 C ATOM 336 C ARG A 22 3.658 17.753 -6.741 1.00 0.00 C ATOM 337 O ARG A 22 2.538 18.263 -6.824 1.00 0.00 O ATOM 338 CB ARG A 22 4.668 18.370 -8.909 1.00 0.00 C ATOM 339 CG ARG A 22 5.387 18.000 -10.185 1.00 0.00 C ATOM 340 CD ARG A 22 5.606 19.228 -11.051 1.00 0.00 C ATOM 341 NE ARG A 22 6.393 18.932 -12.249 1.00 0.00 N ATOM 342 CZ ARG A 22 6.824 19.850 -13.118 1.00 0.00 C ATOM 343 NH1 ARG A 22 6.388 21.108 -13.032 1.00 0.00 N ATOM 344 NH2 ARG A 22 7.662 19.506 -14.095 1.00 0.00 N ATOM 0 H ARG A 22 2.798 16.697 -9.311 1.00 0.00 H new ATOM 0 HA ARG A 22 5.249 16.679 -7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.743 18.884 -9.170 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.284 19.082 -8.359 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.346 17.540 -9.948 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.806 17.260 -10.735 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.640 19.638 -11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.113 19.996 -10.467 1.00 0.00 H new ATOM 0 HE ARG A 22 6.629 17.957 -12.433 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.725 21.369 -12.302 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.718 21.809 -13.696 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.976 18.539 -14.181 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.989 20.209 -14.757 1.00 0.00 H new ATOM 358 N GLN A 23 4.303 17.646 -5.593 1.00 0.00 N ATOM 359 CA GLN A 23 3.745 18.202 -4.401 1.00 0.00 C ATOM 360 C GLN A 23 4.795 19.015 -3.743 1.00 0.00 C ATOM 361 O GLN A 23 5.758 18.464 -3.215 1.00 0.00 O ATOM 362 CB GLN A 23 3.229 17.135 -3.441 1.00 0.00 C ATOM 363 CG GLN A 23 2.123 16.272 -4.010 1.00 0.00 C ATOM 364 CD GLN A 23 1.308 15.591 -2.935 1.00 0.00 C ATOM 365 OE1 GLN A 23 1.690 14.407 -2.557 1.00 0.00 O flip ATOM 366 NE2 GLN A 23 0.325 16.136 -2.458 1.00 0.00 N flip ATOM 0 H GLN A 23 5.203 17.182 -5.474 1.00 0.00 H new ATOM 0 HA GLN A 23 2.884 18.813 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.060 16.494 -3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.866 17.621 -2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.466 16.888 -4.624 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.557 15.517 -4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.052 17.066 -2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.223 15.662 -1.741 1.00 0.00 H new ATOM 375 N GLY A 24 4.660 20.309 -3.838 1.00 0.00 N ATOM 376 CA GLY A 24 5.618 21.203 -3.260 1.00 0.00 C ATOM 377 C GLY A 24 6.927 21.145 -3.993 1.00 0.00 C ATOM 378 O GLY A 24 6.995 21.433 -5.180 1.00 0.00 O ATOM 0 H GLY A 24 3.886 20.769 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.230 22.221 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.773 20.946 -2.212 1.00 0.00 H new ATOM 382 N GLU A 25 7.936 20.708 -3.313 1.00 0.00 N ATOM 383 CA GLU A 25 9.265 20.619 -3.869 1.00 0.00 C ATOM 384 C GLU A 25 9.527 19.224 -4.377 1.00 0.00 C ATOM 385 O GLU A 25 10.598 18.942 -4.895 1.00 0.00 O ATOM 386 CB GLU A 25 10.290 20.879 -2.787 1.00 0.00 C ATOM 387 CG GLU A 25 10.190 22.197 -2.081 1.00 0.00 C ATOM 388 CD GLU A 25 11.190 22.280 -0.968 1.00 0.00 C ATOM 389 OE1 GLU A 25 12.372 22.635 -1.222 1.00 0.00 O ATOM 390 OE2 GLU A 25 10.830 21.972 0.187 1.00 0.00 O ATOM 0 H GLU A 25 7.870 20.397 -2.344 1.00 0.00 H new ATOM 0 HA GLU A 25 9.338 21.349 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.211 20.086 -2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.283 20.803 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.359 23.008 -2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.184 22.326 -1.683 1.00 0.00 H new ATOM 397 N ASN A 26 8.569 18.364 -4.225 1.00 0.00 N ATOM 398 CA ASN A 26 8.798 16.955 -4.480 1.00 0.00 C ATOM 399 C ASN A 26 7.972 16.476 -5.626 1.00 0.00 C ATOM 400 O ASN A 26 7.114 17.191 -6.156 1.00 0.00 O ATOM 401 CB ASN A 26 8.395 16.091 -3.266 1.00 0.00 C ATOM 402 CG ASN A 26 8.604 16.758 -1.944 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.663 16.661 -1.327 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.582 17.439 -1.509 1.00 0.00 N ATOM 0 H ASN A 26 7.622 18.599 -3.928 1.00 0.00 H new ATOM 0 HA ASN A 26 9.862 16.856 -4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.344 15.818 -3.361 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.968 15.164 -3.287 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.637 17.926 -0.614 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.727 17.485 -2.063 1.00 0.00 H new ATOM 411 N LEU A 27 8.212 15.260 -5.965 1.00 0.00 N ATOM 412 CA LEU A 27 7.480 14.529 -6.933 1.00 0.00 C ATOM 413 C LEU A 27 7.090 13.283 -6.174 1.00 0.00 C ATOM 414 O LEU A 27 7.955 12.544 -5.729 1.00 0.00 O ATOM 415 CB LEU A 27 8.415 14.204 -8.127 1.00 0.00 C ATOM 416 CG LEU A 27 7.796 13.680 -9.445 1.00 0.00 C ATOM 417 CD1 LEU A 27 7.109 12.328 -9.279 1.00 0.00 C ATOM 418 CD2 LEU A 27 6.848 14.708 -10.026 1.00 0.00 C ATOM 0 H LEU A 27 8.969 14.718 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 27 6.617 15.049 -7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.974 15.110 -8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.138 13.463 -7.786 1.00 0.00 H new ATOM 0 HG LEU A 27 8.616 13.521 -10.145 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.694 12.011 -10.236 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.835 11.591 -8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.307 12.415 -8.546 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.420 14.326 -10.953 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.048 14.909 -9.313 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.392 15.630 -10.231 1.00 0.00 H new ATOM 430 N ILE A 28 5.833 13.108 -5.921 1.00 0.00 N ATOM 431 CA ILE A 28 5.399 11.998 -5.125 1.00 0.00 C ATOM 432 C ILE A 28 4.364 11.229 -5.895 1.00 0.00 C ATOM 433 O ILE A 28 3.793 11.731 -6.858 1.00 0.00 O ATOM 434 CB ILE A 28 4.773 12.454 -3.764 1.00 0.00 C ATOM 435 CG1 ILE A 28 5.343 13.818 -3.332 1.00 0.00 C ATOM 436 CG2 ILE A 28 5.044 11.402 -2.688 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.961 14.266 -1.939 1.00 0.00 C ATOM 0 H ILE A 28 5.086 13.718 -6.253 1.00 0.00 H new ATOM 0 HA ILE A 28 6.272 11.383 -4.904 1.00 0.00 H new ATOM 0 HB ILE A 28 3.696 12.560 -3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.430 13.776 -3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.010 14.574 -4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.606 11.726 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.600 10.453 -2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.120 11.277 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.412 15.236 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.876 14.348 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.319 13.537 -1.212 1.00 0.00 H new ATOM 449 N LEU A 29 4.103 10.036 -5.462 1.00 0.00 N ATOM 450 CA LEU A 29 3.122 9.203 -6.096 1.00 0.00 C ATOM 451 C LEU A 29 1.754 9.401 -5.427 1.00 0.00 C ATOM 452 O LEU A 29 0.791 8.684 -5.694 1.00 0.00 O ATOM 453 CB LEU A 29 3.574 7.742 -6.035 1.00 0.00 C ATOM 454 CG LEU A 29 4.968 7.444 -6.614 1.00 0.00 C ATOM 455 CD1 LEU A 29 5.240 5.970 -6.609 1.00 0.00 C ATOM 456 CD2 LEU A 29 5.155 8.020 -8.016 1.00 0.00 C ATOM 0 H LEU A 29 4.563 9.609 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 29 3.021 9.483 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.558 7.420 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.843 7.133 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 29 5.692 7.940 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.231 5.781 -7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.196 5.595 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.491 5.460 -7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.155 7.781 -8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.414 7.588 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.030 9.102 -7.984 1.00 0.00 H new ATOM 468 N GLY A 30 1.686 10.386 -4.553 1.00 0.00 N ATOM 469 CA GLY A 30 0.473 10.731 -3.908 1.00 0.00 C ATOM 470 C GLY A 30 0.247 10.037 -2.581 1.00 0.00 C ATOM 471 O GLY A 30 -0.110 10.672 -1.599 1.00 0.00 O ATOM 0 H GLY A 30 2.484 10.961 -4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.456 11.809 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.357 10.494 -4.573 1.00 0.00 H new ATOM 475 N PHE A 31 0.459 8.759 -2.552 1.00 0.00 N ATOM 476 CA PHE A 31 0.127 7.955 -1.394 1.00 0.00 C ATOM 477 C PHE A 31 1.294 7.752 -0.389 1.00 0.00 C ATOM 478 O PHE A 31 2.435 8.154 -0.632 1.00 0.00 O ATOM 479 CB PHE A 31 -0.426 6.619 -1.881 1.00 0.00 C ATOM 480 CG PHE A 31 0.592 5.742 -2.561 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.980 5.975 -3.876 1.00 0.00 C ATOM 482 CD2 PHE A 31 1.149 4.685 -1.886 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.913 5.157 -4.491 1.00 0.00 C ATOM 484 CE2 PHE A 31 2.074 3.868 -2.494 1.00 0.00 C ATOM 485 CZ PHE A 31 2.459 4.104 -3.796 1.00 0.00 C ATOM 0 H PHE A 31 0.867 8.233 -3.325 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.622 8.502 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.844 6.080 -1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.246 6.808 -2.573 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.550 6.801 -4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.857 4.492 -0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.210 5.345 -5.512 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.500 3.039 -1.949 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.188 3.463 -4.269 1.00 0.00 H new ATOM 495 N SER A 32 0.947 7.151 0.746 1.00 0.00 N ATOM 496 CA SER A 32 1.836 6.804 1.834 1.00 0.00 C ATOM 497 C SER A 32 1.521 5.382 2.348 1.00 0.00 C ATOM 498 O SER A 32 0.467 4.833 2.043 1.00 0.00 O ATOM 499 CB SER A 32 1.663 7.788 2.956 1.00 0.00 C ATOM 500 OG SER A 32 2.149 9.068 2.610 1.00 0.00 O ATOM 0 H SER A 32 -0.018 6.881 0.935 1.00 0.00 H new ATOM 0 HA SER A 32 2.864 6.833 1.473 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.607 7.859 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.188 7.427 3.841 1.00 0.00 H new ATOM 0 HG SER A 32 2.018 9.682 3.363 1.00 0.00 H new ATOM 506 N ILE A 33 2.390 4.837 3.195 1.00 0.00 N ATOM 507 CA ILE A 33 2.325 3.438 3.594 1.00 0.00 C ATOM 508 C ILE A 33 2.261 3.293 5.104 1.00 0.00 C ATOM 509 O ILE A 33 2.397 4.268 5.834 1.00 0.00 O ATOM 510 CB ILE A 33 3.570 2.661 3.087 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.821 2.943 3.953 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.837 3.022 1.655 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.102 2.335 3.434 1.00 0.00 C ATOM 0 H ILE A 33 3.158 5.354 3.623 1.00 0.00 H new ATOM 0 HA ILE A 33 1.418 3.027 3.150 1.00 0.00 H new ATOM 0 HB ILE A 33 3.357 1.595 3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.954 4.022 4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.640 2.568 4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.711 2.477 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.972 2.759 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.022 4.093 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.922 2.586 4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.995 1.252 3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.314 2.728 2.440 1.00 0.00 H new ATOM 525 N GLY A 34 2.047 2.079 5.558 1.00 0.00 N ATOM 526 CA GLY A 34 2.013 1.817 6.968 1.00 0.00 C ATOM 527 C GLY A 34 3.104 0.885 7.381 1.00 0.00 C ATOM 528 O GLY A 34 3.384 0.730 8.558 1.00 0.00 O ATOM 0 H GLY A 34 1.895 1.262 4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.108 2.755 7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.047 1.389 7.236 1.00 0.00 H new ATOM 532 N GLY A 35 3.742 0.264 6.417 1.00 0.00 N ATOM 533 CA GLY A 35 4.804 -0.628 6.739 1.00 0.00 C ATOM 534 C GLY A 35 4.500 -2.054 6.389 1.00 0.00 C ATOM 535 O GLY A 35 3.417 -2.348 5.955 1.00 0.00 O ATOM 0 H GLY A 35 3.541 0.364 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.706 -0.315 6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.018 -0.559 7.806 1.00 0.00 H new ATOM 539 N GLY A 36 5.519 -2.900 6.482 1.00 0.00 N ATOM 540 CA GLY A 36 5.360 -4.311 6.257 1.00 0.00 C ATOM 541 C GLY A 36 5.824 -5.135 7.445 1.00 0.00 C ATOM 542 O GLY A 36 5.286 -5.008 8.522 1.00 0.00 O ATOM 0 H GLY A 36 6.471 -2.618 6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.312 -4.529 6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.925 -4.602 5.372 1.00 0.00 H new ATOM 546 N ILE A 37 6.883 -5.925 7.254 1.00 0.00 N ATOM 547 CA ILE A 37 7.396 -6.855 8.306 1.00 0.00 C ATOM 548 C ILE A 37 7.914 -6.113 9.538 1.00 0.00 C ATOM 549 O ILE A 37 7.849 -6.617 10.652 1.00 0.00 O ATOM 550 CB ILE A 37 8.522 -7.821 7.793 1.00 0.00 C ATOM 551 CG1 ILE A 37 9.890 -7.103 7.568 1.00 0.00 C ATOM 552 CG2 ILE A 37 8.075 -8.539 6.529 1.00 0.00 C ATOM 553 CD1 ILE A 37 9.918 -6.085 6.472 1.00 0.00 C ATOM 0 H ILE A 37 7.415 -5.951 6.384 1.00 0.00 H new ATOM 0 HA ILE A 37 6.528 -7.454 8.579 1.00 0.00 H new ATOM 0 HB ILE A 37 8.686 -8.555 8.582 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.181 -6.616 8.499 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.645 -7.859 7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.869 -9.204 6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.178 -9.122 6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.857 -7.806 5.752 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.915 -5.650 6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.666 -6.563 5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.194 -5.299 6.687 1.00 0.00 H new ATOM 565 N ASP A 38 8.403 -4.895 9.314 1.00 0.00 N ATOM 566 CA ASP A 38 8.949 -4.049 10.376 1.00 0.00 C ATOM 567 C ASP A 38 7.858 -3.633 11.352 1.00 0.00 C ATOM 568 O ASP A 38 8.124 -3.260 12.485 1.00 0.00 O ATOM 569 CB ASP A 38 9.621 -2.832 9.727 1.00 0.00 C ATOM 570 CG ASP A 38 10.064 -1.735 10.681 1.00 0.00 C ATOM 571 OD1 ASP A 38 10.992 -1.939 11.494 1.00 0.00 O ATOM 572 OD2 ASP A 38 9.538 -0.612 10.558 1.00 0.00 O ATOM 0 H ASP A 38 8.432 -4.465 8.390 1.00 0.00 H new ATOM 0 HA ASP A 38 9.689 -4.604 10.952 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.492 -3.176 9.169 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.929 -2.401 9.004 1.00 0.00 H new ATOM 577 N GLN A 39 6.632 -3.762 10.917 1.00 0.00 N ATOM 578 CA GLN A 39 5.491 -3.376 11.723 1.00 0.00 C ATOM 579 C GLN A 39 4.912 -4.657 12.310 1.00 0.00 C ATOM 580 O GLN A 39 5.064 -5.727 11.714 1.00 0.00 O ATOM 581 CB GLN A 39 4.436 -2.680 10.840 1.00 0.00 C ATOM 582 CG GLN A 39 5.013 -1.921 9.701 1.00 0.00 C ATOM 583 CD GLN A 39 6.025 -0.890 10.117 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.066 -0.808 9.354 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 5.920 -0.268 11.157 1.00 0.00 N flip ATOM 0 H GLN A 39 6.391 -4.135 9.999 1.00 0.00 H new ATOM 0 HA GLN A 39 5.784 -2.682 12.510 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.748 -3.431 10.452 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.850 -2.000 11.458 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.482 -2.621 9.009 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.207 -1.428 9.158 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.079 -0.365 11.726 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.673 0.350 11.460 1.00 0.00 H new ATOM 594 N ASP A 40 4.255 -4.573 13.435 1.00 0.00 N ATOM 595 CA ASP A 40 3.740 -5.780 14.082 1.00 0.00 C ATOM 596 C ASP A 40 2.280 -5.913 13.770 1.00 0.00 C ATOM 597 O ASP A 40 1.497 -5.061 14.191 1.00 0.00 O ATOM 598 CB ASP A 40 3.844 -5.720 15.585 1.00 0.00 C ATOM 599 CG ASP A 40 3.846 -7.094 16.211 1.00 0.00 C ATOM 600 OD1 ASP A 40 2.801 -7.785 16.180 1.00 0.00 O ATOM 601 OD2 ASP A 40 4.916 -7.527 16.696 1.00 0.00 O ATOM 0 H ASP A 40 4.058 -3.702 13.928 1.00 0.00 H new ATOM 0 HA ASP A 40 4.335 -6.614 13.710 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.757 -5.194 15.864 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.009 -5.142 15.983 1.00 0.00 H new ATOM 606 N PRO A 41 1.871 -6.968 13.043 1.00 0.00 N ATOM 607 CA PRO A 41 0.477 -7.188 12.636 1.00 0.00 C ATOM 608 C PRO A 41 -0.501 -7.104 13.796 1.00 0.00 C ATOM 609 O PRO A 41 -1.628 -6.631 13.642 1.00 0.00 O ATOM 610 CB PRO A 41 0.475 -8.597 12.029 1.00 0.00 C ATOM 611 CG PRO A 41 1.827 -9.161 12.290 1.00 0.00 C ATOM 612 CD PRO A 41 2.740 -8.007 12.523 1.00 0.00 C ATOM 0 HA PRO A 41 0.148 -6.417 11.939 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.299 -9.216 12.483 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.268 -8.560 10.959 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.809 -9.821 13.158 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.167 -9.757 11.443 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.528 -8.259 13.232 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.229 -7.693 11.601 1.00 0.00 H new ATOM 620 N SER A 42 -0.033 -7.462 14.975 1.00 0.00 N ATOM 621 CA SER A 42 -0.873 -7.474 16.143 1.00 0.00 C ATOM 622 C SER A 42 -1.311 -6.026 16.509 1.00 0.00 C ATOM 623 O SER A 42 -2.399 -5.816 17.054 1.00 0.00 O ATOM 624 CB SER A 42 -0.131 -8.163 17.307 1.00 0.00 C ATOM 625 OG SER A 42 -1.016 -8.550 18.363 1.00 0.00 O ATOM 0 H SER A 42 0.931 -7.749 15.144 1.00 0.00 H new ATOM 0 HA SER A 42 -1.779 -8.043 15.937 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.390 -9.044 16.932 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.628 -7.487 17.701 1.00 0.00 H new ATOM 0 HG SER A 42 -0.503 -8.983 19.077 1.00 0.00 H new ATOM 631 N GLN A 43 -0.503 -5.036 16.120 1.00 0.00 N ATOM 632 CA GLN A 43 -0.776 -3.636 16.449 1.00 0.00 C ATOM 633 C GLN A 43 -0.890 -2.783 15.177 1.00 0.00 C ATOM 634 O GLN A 43 -0.835 -1.551 15.218 1.00 0.00 O ATOM 635 CB GLN A 43 0.328 -3.106 17.373 1.00 0.00 C ATOM 636 CG GLN A 43 1.722 -3.079 16.783 1.00 0.00 C ATOM 637 CD GLN A 43 2.777 -3.504 17.783 1.00 0.00 C ATOM 638 OE1 GLN A 43 2.463 -4.508 18.550 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 3.910 -3.007 17.771 1.00 0.00 N flip ATOM 0 H GLN A 43 0.347 -5.180 15.576 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.733 -3.572 16.967 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.064 -2.094 17.681 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.347 -3.718 18.274 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.760 -3.738 15.916 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.945 -2.073 16.429 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.115 -2.220 17.155 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.639 -3.384 18.377 1.00 0.00 H new ATOM 648 N ASN A 44 -1.050 -3.439 14.064 1.00 0.00 N ATOM 649 CA ASN A 44 -1.164 -2.757 12.770 1.00 0.00 C ATOM 650 C ASN A 44 -2.590 -2.479 12.349 1.00 0.00 C ATOM 651 O ASN A 44 -3.511 -3.171 12.767 1.00 0.00 O ATOM 652 CB ASN A 44 -0.486 -3.544 11.688 1.00 0.00 C ATOM 653 CG ASN A 44 1.005 -3.444 11.714 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.570 -2.457 12.205 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.658 -4.418 11.138 1.00 0.00 N ATOM 0 H ASN A 44 -1.107 -4.456 14.008 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.671 -1.795 12.911 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.772 -4.592 11.780 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.847 -3.198 10.719 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.676 -4.385 11.079 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.150 -5.212 10.747 1.00 0.00 H new ATOM 662 N PRO A 45 -2.784 -1.448 11.487 1.00 0.00 N ATOM 663 CA PRO A 45 -4.097 -1.081 10.983 1.00 0.00 C ATOM 664 C PRO A 45 -4.627 -2.057 9.922 1.00 0.00 C ATOM 665 O PRO A 45 -5.663 -2.637 10.078 1.00 0.00 O ATOM 666 CB PRO A 45 -3.868 0.301 10.368 1.00 0.00 C ATOM 667 CG PRO A 45 -2.430 0.335 9.992 1.00 0.00 C ATOM 668 CD PRO A 45 -1.727 -0.525 10.986 1.00 0.00 C ATOM 0 HA PRO A 45 -4.847 -1.097 11.774 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.505 0.453 9.497 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.106 1.092 11.079 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.282 -0.039 8.979 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.044 1.354 10.015 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.905 -1.074 10.526 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.301 0.069 11.795 1.00 0.00 H new ATOM 676 N PHE A 46 -3.878 -2.268 8.867 1.00 0.00 N ATOM 677 CA PHE A 46 -4.347 -3.096 7.763 1.00 0.00 C ATOM 678 C PHE A 46 -3.648 -4.448 7.773 1.00 0.00 C ATOM 679 O PHE A 46 -3.522 -5.120 6.754 1.00 0.00 O ATOM 680 CB PHE A 46 -4.138 -2.344 6.444 1.00 0.00 C ATOM 681 CG PHE A 46 -4.795 -0.986 6.451 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.153 -0.857 6.219 1.00 0.00 C ATOM 683 CD2 PHE A 46 -4.056 0.159 6.711 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.759 0.386 6.240 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.661 1.400 6.735 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.010 1.511 6.499 1.00 0.00 C ATOM 0 H PHE A 46 -2.942 -1.882 8.742 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.413 -3.294 7.875 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.070 -2.228 6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.541 -2.936 5.622 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.746 -1.737 6.019 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.995 0.079 6.897 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.819 0.474 6.053 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.074 2.283 6.939 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.483 2.482 6.517 1.00 0.00 H new ATOM 696 N SER A 47 -3.253 -4.851 8.951 1.00 0.00 N ATOM 697 CA SER A 47 -2.575 -6.119 9.164 1.00 0.00 C ATOM 698 C SER A 47 -3.161 -6.720 10.449 1.00 0.00 C ATOM 699 O SER A 47 -2.568 -7.537 11.105 1.00 0.00 O ATOM 700 CB SER A 47 -1.102 -5.816 9.372 1.00 0.00 C ATOM 701 OG SER A 47 -0.242 -6.920 9.129 1.00 0.00 O ATOM 0 H SER A 47 -3.390 -4.309 9.804 1.00 0.00 H new ATOM 0 HA SER A 47 -2.698 -6.807 8.327 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.815 -4.995 8.716 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.954 -5.473 10.396 1.00 0.00 H new ATOM 0 HG SER A 47 -0.422 -7.285 8.238 1.00 0.00 H new ATOM 707 N GLU A 48 -4.342 -6.267 10.782 1.00 0.00 N ATOM 708 CA GLU A 48 -5.016 -6.656 12.028 1.00 0.00 C ATOM 709 C GLU A 48 -5.871 -7.910 11.871 1.00 0.00 C ATOM 710 O GLU A 48 -6.138 -8.624 12.848 1.00 0.00 O ATOM 711 CB GLU A 48 -5.908 -5.528 12.501 1.00 0.00 C ATOM 712 CG GLU A 48 -6.891 -5.070 11.441 1.00 0.00 C ATOM 713 CD GLU A 48 -7.920 -4.123 11.965 1.00 0.00 C ATOM 714 OE1 GLU A 48 -7.591 -2.965 12.231 1.00 0.00 O ATOM 715 OE2 GLU A 48 -9.092 -4.537 12.106 1.00 0.00 O ATOM 0 H GLU A 48 -4.877 -5.616 10.207 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.231 -6.870 12.754 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.458 -5.853 13.384 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.288 -4.684 12.804 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.344 -4.590 10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.390 -5.941 11.017 1.00 0.00 H new ATOM 722 N ASP A 49 -6.322 -8.150 10.668 1.00 0.00 N ATOM 723 CA ASP A 49 -7.218 -9.250 10.371 1.00 0.00 C ATOM 724 C ASP A 49 -6.470 -10.547 10.307 1.00 0.00 C ATOM 725 O ASP A 49 -7.005 -11.614 10.619 1.00 0.00 O ATOM 726 CB ASP A 49 -7.954 -8.975 9.069 1.00 0.00 C ATOM 727 CG ASP A 49 -7.040 -8.734 7.892 1.00 0.00 C ATOM 728 OD1 ASP A 49 -6.404 -7.643 7.838 1.00 0.00 O ATOM 729 OD2 ASP A 49 -6.953 -9.603 7.015 1.00 0.00 O ATOM 0 H ASP A 49 -6.079 -7.585 9.855 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.950 -9.336 11.174 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.605 -9.820 8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.597 -8.105 9.202 1.00 0.00 H new ATOM 734 N LYS A 50 -5.249 -10.442 9.915 1.00 0.00 N ATOM 735 CA LYS A 50 -4.342 -11.554 9.859 1.00 0.00 C ATOM 736 C LYS A 50 -2.921 -11.054 9.985 1.00 0.00 C ATOM 737 O LYS A 50 -2.654 -9.897 9.724 1.00 0.00 O ATOM 738 CB LYS A 50 -4.524 -12.346 8.566 1.00 0.00 C ATOM 739 CG LYS A 50 -4.390 -11.512 7.318 1.00 0.00 C ATOM 740 CD LYS A 50 -4.523 -12.363 6.092 1.00 0.00 C ATOM 741 CE LYS A 50 -4.452 -11.533 4.840 1.00 0.00 C ATOM 742 NZ LYS A 50 -4.557 -12.372 3.644 1.00 0.00 N ATOM 0 H LYS A 50 -4.834 -9.560 9.615 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.559 -12.226 10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.787 -13.149 8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.508 -12.816 8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.154 -10.735 7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.423 -11.009 7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.732 -13.112 6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.471 -12.901 6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.255 -10.796 4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.513 -10.981 4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.607 -11.768 2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.723 -12.989 3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.416 -12.956 3.704 1.00 0.00 H new ATOM 756 N THR A 51 -2.020 -11.952 10.275 1.00 0.00 N ATOM 757 CA THR A 51 -0.619 -11.664 10.548 1.00 0.00 C ATOM 758 C THR A 51 0.202 -11.484 9.259 1.00 0.00 C ATOM 759 O THR A 51 1.442 -11.541 9.261 1.00 0.00 O ATOM 760 CB THR A 51 -0.081 -12.838 11.349 1.00 0.00 C ATOM 761 OG1 THR A 51 -0.676 -14.040 10.812 1.00 0.00 O ATOM 762 CG2 THR A 51 -0.443 -12.704 12.821 1.00 0.00 C ATOM 0 H THR A 51 -2.240 -12.946 10.332 1.00 0.00 H new ATOM 0 HA THR A 51 -0.537 -10.725 11.096 1.00 0.00 H new ATOM 0 HB THR A 51 1.006 -12.869 11.275 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.346 -14.818 11.308 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.046 -13.557 13.372 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.015 -11.784 13.219 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.527 -12.675 12.928 1.00 0.00 H new ATOM 770 N ASP A 52 -0.500 -11.212 8.204 1.00 0.00 N ATOM 771 CA ASP A 52 0.046 -11.064 6.879 1.00 0.00 C ATOM 772 C ASP A 52 0.711 -9.700 6.747 1.00 0.00 C ATOM 773 O ASP A 52 0.037 -8.652 6.773 1.00 0.00 O ATOM 774 CB ASP A 52 -1.095 -11.237 5.882 1.00 0.00 C ATOM 775 CG ASP A 52 -0.698 -11.154 4.429 1.00 0.00 C ATOM 776 OD1 ASP A 52 0.113 -11.954 3.995 1.00 0.00 O ATOM 777 OD2 ASP A 52 -1.241 -10.289 3.702 1.00 0.00 O ATOM 0 H ASP A 52 -1.511 -11.080 8.237 1.00 0.00 H new ATOM 0 HA ASP A 52 0.810 -11.816 6.681 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.567 -12.204 6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.848 -10.474 6.080 1.00 0.00 H new ATOM 782 N LYS A 53 2.031 -9.721 6.660 1.00 0.00 N ATOM 783 CA LYS A 53 2.849 -8.512 6.581 1.00 0.00 C ATOM 784 C LYS A 53 2.817 -7.952 5.157 1.00 0.00 C ATOM 785 O LYS A 53 2.018 -8.371 4.324 1.00 0.00 O ATOM 786 CB LYS A 53 4.317 -8.832 6.920 1.00 0.00 C ATOM 787 CG LYS A 53 4.577 -9.575 8.228 1.00 0.00 C ATOM 788 CD LYS A 53 4.286 -8.780 9.455 1.00 0.00 C ATOM 789 CE LYS A 53 5.119 -9.343 10.610 1.00 0.00 C ATOM 790 NZ LYS A 53 4.969 -10.821 10.763 1.00 0.00 N ATOM 0 H LYS A 53 2.574 -10.584 6.642 1.00 0.00 H new ATOM 0 HA LYS A 53 2.446 -7.789 7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.732 -9.425 6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.871 -7.894 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.971 -10.481 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.620 -9.889 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.527 -7.730 9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.224 -8.830 9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.170 -9.104 10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.823 -8.854 11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.337 -11.113 11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.963 -11.077 10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.502 -11.304 10.011 1.00 0.00 H new ATOM 804 N GLY A 54 3.676 -7.004 4.892 1.00 0.00 N ATOM 805 CA GLY A 54 3.773 -6.434 3.573 1.00 0.00 C ATOM 806 C GLY A 54 3.342 -5.015 3.606 1.00 0.00 C ATOM 807 O GLY A 54 2.458 -4.696 4.329 1.00 0.00 O ATOM 0 H GLY A 54 4.322 -6.608 5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.799 -6.504 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.151 -6.997 2.877 1.00 0.00 H new ATOM 811 N ILE A 55 4.015 -4.171 2.877 1.00 0.00 N ATOM 812 CA ILE A 55 3.707 -2.744 2.824 1.00 0.00 C ATOM 813 C ILE A 55 2.283 -2.507 2.299 1.00 0.00 C ATOM 814 O ILE A 55 1.876 -3.068 1.283 1.00 0.00 O ATOM 815 CB ILE A 55 4.742 -1.986 1.938 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.153 -2.155 2.489 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.402 -0.507 1.795 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.394 -1.449 3.772 1.00 0.00 C ATOM 0 H ILE A 55 4.804 -4.443 2.291 1.00 0.00 H new ATOM 0 HA ILE A 55 3.768 -2.353 3.840 1.00 0.00 H new ATOM 0 HB ILE A 55 4.696 -2.430 0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.351 -3.218 2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.866 -1.793 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.151 -0.020 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.420 -0.402 1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.392 -0.039 2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.421 -1.621 4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.230 -0.380 3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.708 -1.827 4.530 1.00 0.00 H new ATOM 830 N TYR A 56 1.536 -1.728 3.035 1.00 0.00 N ATOM 831 CA TYR A 56 0.185 -1.358 2.671 1.00 0.00 C ATOM 832 C TYR A 56 0.034 0.133 2.732 1.00 0.00 C ATOM 833 O TYR A 56 0.754 0.794 3.499 1.00 0.00 O ATOM 834 CB TYR A 56 -0.855 -2.048 3.584 1.00 0.00 C ATOM 835 CG TYR A 56 -0.343 -2.292 4.966 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.202 -1.272 5.887 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.057 -3.549 5.316 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.342 -1.519 7.120 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.591 -3.818 6.535 1.00 0.00 C ATOM 840 CZ TYR A 56 0.743 -2.796 7.440 1.00 0.00 C ATOM 841 OH TYR A 56 1.295 -3.040 8.652 1.00 0.00 O ATOM 0 H TYR A 56 1.849 -1.324 3.918 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.000 -1.696 1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.751 -1.430 3.638 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.149 -2.998 3.138 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.523 -0.273 5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.054 -4.353 4.603 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.455 -0.718 7.835 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.893 -4.823 6.790 1.00 0.00 H new ATOM 0 HH TYR A 56 1.120 -2.283 9.249 1.00 0.00 H new ATOM 851 N VAL A 57 -0.855 0.656 1.938 1.00 0.00 N ATOM 852 CA VAL A 57 -1.117 2.074 1.898 1.00 0.00 C ATOM 853 C VAL A 57 -2.005 2.500 3.059 1.00 0.00 C ATOM 854 O VAL A 57 -3.002 1.836 3.379 1.00 0.00 O ATOM 855 CB VAL A 57 -1.761 2.483 0.557 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.127 3.943 0.525 1.00 0.00 C ATOM 857 CG2 VAL A 57 -0.829 2.167 -0.575 1.00 0.00 C ATOM 0 H VAL A 57 -1.426 0.110 1.293 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.159 2.586 1.990 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.682 1.911 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.577 4.184 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.839 4.157 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.230 4.546 0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.291 2.459 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.104 2.716 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.622 1.097 -0.588 1.00 0.00 H new ATOM 867 N THR A 58 -1.628 3.580 3.704 1.00 0.00 N ATOM 868 CA THR A 58 -2.389 4.108 4.811 1.00 0.00 C ATOM 869 C THR A 58 -3.048 5.438 4.441 1.00 0.00 C ATOM 870 O THR A 58 -4.035 5.858 5.055 1.00 0.00 O ATOM 871 CB THR A 58 -1.483 4.284 6.022 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.282 4.939 5.600 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.152 2.938 6.646 1.00 0.00 C ATOM 0 H THR A 58 -0.789 4.114 3.477 1.00 0.00 H new ATOM 0 HA THR A 58 -3.180 3.399 5.055 1.00 0.00 H new ATOM 0 HB THR A 58 -1.994 4.885 6.774 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.312 5.061 6.370 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.504 3.087 7.510 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.072 2.448 6.963 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.642 2.313 5.913 1.00 0.00 H new ATOM 881 N ARG A 59 -2.497 6.091 3.438 1.00 0.00 N ATOM 882 CA ARG A 59 -3.013 7.351 2.932 1.00 0.00 C ATOM 883 C ARG A 59 -2.735 7.450 1.467 1.00 0.00 C ATOM 884 O ARG A 59 -1.662 7.089 1.048 1.00 0.00 O ATOM 885 CB ARG A 59 -2.313 8.525 3.605 1.00 0.00 C ATOM 886 CG ARG A 59 -2.872 8.955 4.947 1.00 0.00 C ATOM 887 CD ARG A 59 -2.131 10.171 5.490 1.00 0.00 C ATOM 888 NE ARG A 59 -0.707 9.900 5.715 1.00 0.00 N ATOM 889 CZ ARG A 59 0.178 10.764 6.226 1.00 0.00 C ATOM 890 NH1 ARG A 59 -0.193 11.988 6.570 1.00 0.00 N ATOM 891 NH2 ARG A 59 1.441 10.395 6.386 1.00 0.00 N ATOM 0 H ARG A 59 -1.668 5.759 2.944 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.083 7.384 3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.262 8.267 3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.349 9.379 2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.932 9.188 4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.794 8.132 5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.235 11.000 4.790 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.591 10.486 6.427 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.362 8.974 5.460 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.162 12.281 6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.491 12.638 6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.735 9.455 6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.119 11.051 6.775 1.00 0.00 H new ATOM 905 N VAL A 60 -3.688 7.876 0.678 1.00 0.00 N ATOM 906 CA VAL A 60 -3.471 8.137 -0.640 1.00 0.00 C ATOM 907 C VAL A 60 -3.729 9.601 -0.902 1.00 0.00 C ATOM 908 O VAL A 60 -4.210 10.328 -0.021 1.00 0.00 O ATOM 909 CB VAL A 60 -4.413 7.336 -1.512 1.00 0.00 C ATOM 910 CG1 VAL A 60 -4.202 5.856 -1.413 1.00 0.00 C ATOM 911 CG2 VAL A 60 -5.866 7.711 -1.343 1.00 0.00 C ATOM 0 H VAL A 60 -4.646 8.041 0.985 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.441 7.868 -0.876 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.145 7.619 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.910 5.343 -2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.185 5.612 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.357 5.534 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.480 7.095 -2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.166 7.548 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.003 8.762 -1.599 1.00 0.00 H new ATOM 921 N SER A 61 -3.430 10.026 -2.086 1.00 0.00 N ATOM 922 CA SER A 61 -3.813 11.304 -2.520 1.00 0.00 C ATOM 923 C SER A 61 -5.298 11.268 -2.749 1.00 0.00 C ATOM 924 O SER A 61 -5.770 10.415 -3.472 1.00 0.00 O ATOM 925 CB SER A 61 -3.095 11.636 -3.805 1.00 0.00 C ATOM 926 OG SER A 61 -1.915 12.347 -3.580 1.00 0.00 O ATOM 0 H SER A 61 -2.909 9.483 -2.774 1.00 0.00 H new ATOM 0 HA SER A 61 -3.559 12.064 -1.781 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.866 10.714 -4.340 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.754 12.222 -4.447 1.00 0.00 H new ATOM 0 HG SER A 61 -1.895 13.139 -4.157 1.00 0.00 H new ATOM 932 N GLU A 62 -6.012 12.179 -2.135 1.00 0.00 N ATOM 933 CA GLU A 62 -7.470 12.227 -2.210 1.00 0.00 C ATOM 934 C GLU A 62 -7.919 12.719 -3.580 1.00 0.00 C ATOM 935 O GLU A 62 -9.073 12.545 -3.977 1.00 0.00 O ATOM 936 CB GLU A 62 -8.004 13.151 -1.124 1.00 0.00 C ATOM 937 CG GLU A 62 -7.483 14.571 -1.239 1.00 0.00 C ATOM 938 CD GLU A 62 -7.953 15.456 -0.132 1.00 0.00 C ATOM 939 OE1 GLU A 62 -9.101 15.914 -0.164 1.00 0.00 O ATOM 940 OE2 GLU A 62 -7.177 15.680 0.812 1.00 0.00 O ATOM 0 H GLU A 62 -5.604 12.918 -1.562 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.865 11.222 -2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.093 13.165 -1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.732 12.749 -0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.393 14.553 -1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.800 14.992 -2.193 1.00 0.00 H new ATOM 947 N GLY A 63 -7.016 13.358 -4.265 1.00 0.00 N ATOM 948 CA GLY A 63 -7.277 13.847 -5.574 1.00 0.00 C ATOM 949 C GLY A 63 -6.043 13.749 -6.397 1.00 0.00 C ATOM 950 O GLY A 63 -5.669 14.686 -7.106 1.00 0.00 O ATOM 0 H GLY A 63 -6.075 13.552 -3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.080 13.272 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.613 14.883 -5.526 1.00 0.00 H new ATOM 954 N GLY A 64 -5.380 12.632 -6.279 1.00 0.00 N ATOM 955 CA GLY A 64 -4.166 12.442 -6.998 1.00 0.00 C ATOM 956 C GLY A 64 -4.151 11.149 -7.759 1.00 0.00 C ATOM 957 O GLY A 64 -5.138 10.414 -7.746 1.00 0.00 O ATOM 0 H GLY A 64 -5.664 11.847 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.024 13.271 -7.692 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.327 12.461 -6.302 1.00 0.00 H new ATOM 961 N PRO A 65 -2.988 10.786 -8.313 1.00 0.00 N ATOM 962 CA PRO A 65 -2.839 9.639 -9.226 1.00 0.00 C ATOM 963 C PRO A 65 -3.150 8.317 -8.546 1.00 0.00 C ATOM 964 O PRO A 65 -3.638 7.385 -9.169 1.00 0.00 O ATOM 965 CB PRO A 65 -1.363 9.688 -9.608 1.00 0.00 C ATOM 966 CG PRO A 65 -0.704 10.436 -8.501 1.00 0.00 C ATOM 967 CD PRO A 65 -1.702 11.438 -8.040 1.00 0.00 C ATOM 0 HA PRO A 65 -3.524 9.701 -10.072 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.948 8.685 -9.709 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.219 10.190 -10.565 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.420 9.765 -7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.208 10.923 -8.846 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.583 11.665 -6.981 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.606 12.379 -8.581 1.00 0.00 H new ATOM 975 N ALA A 66 -2.861 8.266 -7.259 1.00 0.00 N ATOM 976 CA ALA A 66 -3.093 7.106 -6.442 1.00 0.00 C ATOM 977 C ALA A 66 -4.552 6.673 -6.506 1.00 0.00 C ATOM 978 O ALA A 66 -4.865 5.593 -7.023 1.00 0.00 O ATOM 979 CB ALA A 66 -2.670 7.389 -5.006 1.00 0.00 C ATOM 0 H ALA A 66 -2.451 9.049 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.491 6.284 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.849 6.506 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.609 7.639 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.249 8.225 -4.614 1.00 0.00 H new ATOM 985 N GLU A 67 -5.437 7.529 -6.036 1.00 0.00 N ATOM 986 CA GLU A 67 -6.854 7.217 -5.998 1.00 0.00 C ATOM 987 C GLU A 67 -7.467 7.145 -7.409 1.00 0.00 C ATOM 988 O GLU A 67 -8.447 6.431 -7.624 1.00 0.00 O ATOM 989 CB GLU A 67 -7.586 8.204 -5.080 1.00 0.00 C ATOM 990 CG GLU A 67 -7.696 9.634 -5.596 1.00 0.00 C ATOM 991 CD GLU A 67 -8.990 9.866 -6.336 1.00 0.00 C ATOM 992 OE1 GLU A 67 -10.060 9.461 -5.822 1.00 0.00 O ATOM 993 OE2 GLU A 67 -8.983 10.461 -7.403 1.00 0.00 O ATOM 0 H GLU A 67 -5.199 8.452 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.978 6.220 -5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.592 7.825 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.075 8.223 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.627 10.329 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.856 9.847 -6.257 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.884 7.888 -8.346 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.301 7.858 -9.743 1.00 0.00 C ATOM 1002 C ILE A 68 -7.051 6.475 -10.343 1.00 0.00 C ATOM 1003 O ILE A 68 -7.951 5.872 -10.929 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.554 8.955 -10.575 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -7.070 10.359 -10.233 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.631 8.707 -12.087 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.521 10.607 -10.611 1.00 0.00 C ATOM 0 H ILE A 68 -6.111 8.526 -8.158 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.369 8.070 -9.782 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.503 8.890 -10.293 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.954 10.524 -9.162 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.445 11.095 -10.739 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.096 9.498 -12.613 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.177 7.744 -12.321 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.674 8.702 -12.402 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.801 11.623 -10.333 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.644 10.478 -11.686 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.160 9.898 -10.085 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.844 5.975 -10.149 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.438 4.688 -10.694 1.00 0.00 C ATOM 1021 C ALA A 69 -6.198 3.547 -10.038 1.00 0.00 C ATOM 1022 O ALA A 69 -6.769 2.689 -10.713 1.00 0.00 O ATOM 1023 CB ALA A 69 -3.951 4.499 -10.510 1.00 0.00 C ATOM 0 H ALA A 69 -5.117 6.447 -9.611 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.674 4.678 -11.758 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.653 3.534 -10.920 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.416 5.294 -11.029 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.709 4.532 -9.448 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.177 3.530 -8.733 1.00 0.00 N ATOM 1030 CA GLY A 70 -6.912 2.519 -7.993 1.00 0.00 C ATOM 1031 C GLY A 70 -6.252 2.159 -6.686 1.00 0.00 C ATOM 1032 O GLY A 70 -6.459 1.074 -6.150 1.00 0.00 O ATOM 0 H GLY A 70 -5.665 4.197 -8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.922 2.880 -7.798 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.007 1.623 -8.606 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.445 3.056 -6.181 1.00 0.00 N ATOM 1037 CA LEU A 71 -4.762 2.846 -4.938 1.00 0.00 C ATOM 1038 C LEU A 71 -5.635 3.372 -3.846 1.00 0.00 C ATOM 1039 O LEU A 71 -5.811 4.577 -3.734 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.416 3.571 -4.984 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.339 3.158 -4.000 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -2.387 1.679 -3.764 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.030 3.448 -4.631 1.00 0.00 C ATOM 0 H LEU A 71 -5.245 3.953 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.566 1.789 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.010 3.453 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.607 4.634 -4.840 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.484 3.690 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.608 1.398 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.361 1.407 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.227 1.155 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.227 3.163 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.939 2.881 -5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.960 4.514 -4.850 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.229 2.473 -3.088 1.00 0.00 N ATOM 1056 CA GLN A 72 -7.201 2.840 -2.063 1.00 0.00 C ATOM 1057 C GLN A 72 -6.751 2.278 -0.748 1.00 0.00 C ATOM 1058 O GLN A 72 -6.611 1.052 -0.634 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.607 2.287 -2.392 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.161 2.691 -3.745 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.412 4.170 -3.860 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -8.405 4.894 -4.188 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -10.500 4.660 -3.585 1.00 0.00 N flip ATOM 0 H GLN A 72 -6.057 1.470 -3.160 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.264 3.927 -2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.572 1.199 -2.342 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.300 2.620 -1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.462 2.385 -4.524 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.093 2.155 -3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.281 4.056 -3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.625 5.672 -3.613 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.617 3.169 0.228 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.094 2.896 1.586 1.00 0.00 C ATOM 1074 C ILE A 73 -6.502 1.522 2.112 1.00 0.00 C ATOM 1075 O ILE A 73 -7.703 1.214 2.230 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.626 3.938 2.598 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.260 5.365 2.203 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.124 3.639 3.997 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -6.826 6.402 3.153 1.00 0.00 C ATOM 0 H ILE A 73 -6.878 4.147 0.102 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.009 2.943 1.494 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.713 3.861 2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.175 5.461 2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.626 5.563 1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.512 4.386 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.464 2.649 4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.034 3.667 4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.533 7.398 2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.913 6.329 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.439 6.226 4.157 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.521 0.725 2.446 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.786 -0.585 2.973 1.00 0.00 C ATOM 1093 C GLY A 74 -5.547 -1.659 1.968 1.00 0.00 C ATOM 1094 O GLY A 74 -6.017 -2.800 2.123 1.00 0.00 O ATOM 0 H GLY A 74 -4.532 0.961 2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.154 -0.758 3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.820 -0.634 3.315 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.878 -1.304 0.923 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.468 -2.235 -0.079 1.00 0.00 C ATOM 1100 C ASP A 75 -3.142 -2.797 0.355 1.00 0.00 C ATOM 1101 O ASP A 75 -2.327 -2.087 0.937 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.339 -1.511 -1.411 1.00 0.00 C ATOM 1103 CG ASP A 75 -3.386 -0.370 -1.323 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -3.818 0.716 -0.892 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -2.220 -0.551 -1.649 1.00 0.00 O ATOM 0 H ASP A 75 -4.595 -0.342 0.736 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.193 -3.040 -0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.001 -2.211 -2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.317 -1.146 -1.724 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.951 -4.071 0.179 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.700 -4.660 0.558 1.00 0.00 C ATOM 1112 C LYS A 76 -0.903 -4.925 -0.683 1.00 0.00 C ATOM 1113 O LYS A 76 -1.231 -5.826 -1.477 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.893 -5.915 1.420 1.00 0.00 C ATOM 1115 CG LYS A 76 -2.726 -5.645 2.679 1.00 0.00 C ATOM 1116 CD LYS A 76 -2.810 -6.825 3.663 1.00 0.00 C ATOM 1117 CE LYS A 76 -1.502 -7.079 4.426 1.00 0.00 C ATOM 1118 NZ LYS A 76 -0.491 -7.797 3.636 1.00 0.00 N ATOM 0 H LYS A 76 -3.634 -4.715 -0.219 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.145 -3.966 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.380 -6.688 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.918 -6.305 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.304 -4.786 3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.736 -5.370 2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.609 -6.634 4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.083 -7.727 3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.088 -6.124 4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.722 -7.652 5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.269 -8.128 4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.933 -8.613 3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.094 -7.158 2.918 1.00 0.00 H new ATOM 1132 N ILE A 77 0.105 -4.134 -0.864 1.00 0.00 N ATOM 1133 CA ILE A 77 0.891 -4.113 -2.059 1.00 0.00 C ATOM 1134 C ILE A 77 1.811 -5.334 -2.103 1.00 0.00 C ATOM 1135 O ILE A 77 2.296 -5.778 -1.077 1.00 0.00 O ATOM 1136 CB ILE A 77 1.736 -2.828 -2.067 1.00 0.00 C ATOM 1137 CG1 ILE A 77 0.851 -1.638 -1.700 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.353 -2.612 -3.445 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.601 -0.493 -1.114 1.00 0.00 C ATOM 0 H ILE A 77 0.415 -3.462 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 77 0.237 -4.137 -2.931 1.00 0.00 H new ATOM 0 HB ILE A 77 2.540 -2.922 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.326 -1.298 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.093 -1.966 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.949 -1.699 -3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.991 -3.460 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.561 -2.522 -4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.907 0.314 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.104 -0.816 -0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.341 -0.138 -1.831 1.00 0.00 H new ATOM 1151 N MET A 78 2.009 -5.893 -3.275 1.00 0.00 N ATOM 1152 CA MET A 78 2.922 -7.020 -3.447 1.00 0.00 C ATOM 1153 C MET A 78 3.998 -6.665 -4.468 1.00 0.00 C ATOM 1154 O MET A 78 5.090 -7.239 -4.483 1.00 0.00 O ATOM 1155 CB MET A 78 2.175 -8.280 -3.922 1.00 0.00 C ATOM 1156 CG MET A 78 1.238 -8.982 -2.916 1.00 0.00 C ATOM 1157 SD MET A 78 2.086 -9.925 -1.599 1.00 0.00 S ATOM 1158 CE MET A 78 2.308 -8.709 -0.296 1.00 0.00 C ATOM 0 H MET A 78 1.551 -5.589 -4.134 1.00 0.00 H new ATOM 0 HA MET A 78 3.377 -7.229 -2.479 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.585 -8.010 -4.797 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.918 -9.006 -4.251 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.600 -8.230 -2.451 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.584 -9.660 -3.464 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.544 -9.217 0.639 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.125 -8.037 -0.560 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.390 -8.134 -0.175 1.00 0.00 H new ATOM 1168 N GLN A 79 3.725 -5.678 -5.284 1.00 0.00 N ATOM 1169 CA GLN A 79 4.608 -5.348 -6.371 1.00 0.00 C ATOM 1170 C GLN A 79 4.618 -3.853 -6.572 1.00 0.00 C ATOM 1171 O GLN A 79 3.581 -3.230 -6.568 1.00 0.00 O ATOM 1172 CB GLN A 79 4.124 -6.037 -7.660 1.00 0.00 C ATOM 1173 CG GLN A 79 5.176 -6.853 -8.401 1.00 0.00 C ATOM 1174 CD GLN A 79 6.351 -6.055 -8.874 1.00 0.00 C ATOM 1175 OE1 GLN A 79 7.452 -6.551 -8.934 1.00 0.00 O ATOM 1176 NE2 GLN A 79 6.141 -4.840 -9.255 1.00 0.00 N ATOM 0 H GLN A 79 2.896 -5.088 -5.215 1.00 0.00 H new ATOM 0 HA GLN A 79 5.615 -5.692 -6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.290 -6.693 -7.410 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.738 -5.274 -8.336 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.531 -7.648 -7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.708 -7.334 -9.260 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.204 -4.442 -9.196 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.912 -4.278 -9.616 1.00 0.00 H new ATOM 1185 N VAL A 80 5.789 -3.301 -6.737 1.00 0.00 N ATOM 1186 CA VAL A 80 5.978 -1.880 -6.994 1.00 0.00 C ATOM 1187 C VAL A 80 7.086 -1.745 -8.016 1.00 0.00 C ATOM 1188 O VAL A 80 8.142 -2.292 -7.809 1.00 0.00 O ATOM 1189 CB VAL A 80 6.411 -1.113 -5.686 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.823 0.331 -5.969 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.313 -1.146 -4.640 1.00 0.00 C ATOM 0 H VAL A 80 6.662 -3.827 -6.698 1.00 0.00 H new ATOM 0 HA VAL A 80 5.040 -1.452 -7.348 1.00 0.00 H new ATOM 0 HB VAL A 80 7.284 -1.636 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.112 0.816 -5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.666 0.340 -6.660 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.985 0.868 -6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.642 -0.609 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.416 -0.672 -5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.091 -2.181 -4.378 1.00 0.00 H new ATOM 1201 N ASN A 81 6.788 -1.149 -9.160 1.00 0.00 N ATOM 1202 CA ASN A 81 7.793 -0.768 -10.178 1.00 0.00 C ATOM 1203 C ASN A 81 8.680 -1.967 -10.590 1.00 0.00 C ATOM 1204 O ASN A 81 9.875 -1.825 -10.840 1.00 0.00 O ATOM 1205 CB ASN A 81 8.670 0.360 -9.623 1.00 0.00 C ATOM 1206 CG ASN A 81 9.318 1.180 -10.713 1.00 0.00 C ATOM 1207 OD1 ASN A 81 10.460 1.619 -10.583 1.00 0.00 O ATOM 1208 ND2 ASN A 81 8.573 1.438 -11.761 1.00 0.00 N ATOM 0 H ASN A 81 5.833 -0.907 -9.424 1.00 0.00 H new ATOM 0 HA ASN A 81 7.263 -0.431 -11.069 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.063 1.012 -8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.444 -0.067 -8.985 1.00 0.00 H new ATOM 0 HD21 ASN A 81 8.935 2.025 -12.512 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.631 1.051 -11.825 1.00 0.00 H new ATOM 1215 N GLY A 82 8.049 -3.120 -10.708 1.00 0.00 N ATOM 1216 CA GLY A 82 8.753 -4.380 -11.016 1.00 0.00 C ATOM 1217 C GLY A 82 9.862 -4.793 -10.036 1.00 0.00 C ATOM 1218 O GLY A 82 10.735 -5.571 -10.397 1.00 0.00 O ATOM 0 H GLY A 82 7.041 -3.224 -10.596 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.017 -5.183 -11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.189 -4.295 -12.011 1.00 0.00 H new ATOM 1222 N TRP A 83 9.823 -4.295 -8.825 1.00 0.00 N ATOM 1223 CA TRP A 83 10.896 -4.587 -7.850 1.00 0.00 C ATOM 1224 C TRP A 83 10.505 -5.650 -6.785 1.00 0.00 C ATOM 1225 O TRP A 83 11.335 -6.017 -5.960 1.00 0.00 O ATOM 1226 CB TRP A 83 11.378 -3.260 -7.187 1.00 0.00 C ATOM 1227 CG TRP A 83 10.892 -2.977 -5.768 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.619 -2.728 -5.360 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.705 -2.886 -4.587 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.581 -2.513 -4.008 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.846 -2.600 -3.512 1.00 0.00 C ATOM 1232 CE3 TRP A 83 13.072 -3.026 -4.335 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.299 -2.451 -2.213 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.525 -2.877 -3.037 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.639 -2.592 -1.990 1.00 0.00 C ATOM 0 H TRP A 83 9.079 -3.691 -8.474 1.00 0.00 H new ATOM 0 HA TRP A 83 11.719 -5.036 -8.406 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.468 -3.263 -7.177 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.067 -2.431 -7.823 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.758 -2.703 -6.011 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.742 -2.319 -3.462 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.761 -3.246 -5.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.617 -2.231 -1.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.579 -2.982 -2.827 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.023 -2.482 -0.987 1.00 0.00 H new ATOM 1246 N ASP A 84 9.269 -6.167 -6.867 1.00 0.00 N ATOM 1247 CA ASP A 84 8.666 -7.071 -5.889 1.00 0.00 C ATOM 1248 C ASP A 84 8.781 -6.580 -4.451 1.00 0.00 C ATOM 1249 O ASP A 84 9.786 -6.740 -3.757 1.00 0.00 O ATOM 1250 CB ASP A 84 8.966 -8.567 -6.094 1.00 0.00 C ATOM 1251 CG ASP A 84 10.397 -9.033 -5.857 1.00 0.00 C ATOM 1252 OD1 ASP A 84 11.189 -9.070 -6.816 1.00 0.00 O ATOM 1253 OD2 ASP A 84 10.736 -9.460 -4.729 1.00 0.00 O ATOM 0 H ASP A 84 8.644 -5.956 -7.645 1.00 0.00 H new ATOM 0 HA ASP A 84 7.600 -7.022 -6.110 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.312 -9.136 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.691 -8.829 -7.116 1.00 0.00 H new ATOM 1258 N MET A 85 7.698 -6.002 -4.006 1.00 0.00 N ATOM 1259 CA MET A 85 7.667 -5.268 -2.766 1.00 0.00 C ATOM 1260 C MET A 85 7.117 -6.127 -1.625 1.00 0.00 C ATOM 1261 O MET A 85 7.182 -5.737 -0.479 1.00 0.00 O ATOM 1262 CB MET A 85 6.767 -4.049 -2.949 1.00 0.00 C ATOM 1263 CG MET A 85 6.880 -3.027 -1.840 1.00 0.00 C ATOM 1264 SD MET A 85 5.299 -2.412 -1.321 1.00 0.00 S ATOM 1265 CE MET A 85 4.625 -3.928 -0.642 1.00 0.00 C ATOM 0 H MET A 85 6.804 -6.026 -4.497 1.00 0.00 H new ATOM 0 HA MET A 85 8.683 -4.970 -2.509 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.011 -3.569 -3.897 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.731 -4.382 -3.018 1.00 0.00 H new ATOM 0 HG2 MET A 85 7.390 -3.475 -0.987 1.00 0.00 H new ATOM 0 HG3 MET A 85 7.497 -2.195 -2.179 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.621 -3.741 -0.260 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.581 -4.688 -1.422 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.263 -4.278 0.170 1.00 0.00 H new ATOM 1275 N THR A 86 6.580 -7.284 -1.982 1.00 0.00 N ATOM 1276 CA THR A 86 5.928 -8.273 -1.079 1.00 0.00 C ATOM 1277 C THR A 86 6.527 -8.371 0.373 1.00 0.00 C ATOM 1278 O THR A 86 5.790 -8.494 1.349 1.00 0.00 O ATOM 1279 CB THR A 86 5.938 -9.673 -1.774 1.00 0.00 C ATOM 1280 OG1 THR A 86 5.375 -10.688 -0.938 1.00 0.00 O ATOM 1281 CG2 THR A 86 7.346 -10.070 -2.192 1.00 0.00 C ATOM 0 H THR A 86 6.577 -7.592 -2.954 1.00 0.00 H new ATOM 0 HA THR A 86 4.912 -7.911 -0.921 1.00 0.00 H new ATOM 0 HB THR A 86 5.317 -9.585 -2.665 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.397 -10.653 -0.994 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.321 -11.048 -2.672 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.740 -9.332 -2.891 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.988 -10.114 -1.312 1.00 0.00 H new ATOM 1289 N MET A 87 7.824 -8.230 0.493 1.00 0.00 N ATOM 1290 CA MET A 87 8.511 -8.370 1.748 1.00 0.00 C ATOM 1291 C MET A 87 9.576 -7.289 1.837 1.00 0.00 C ATOM 1292 O MET A 87 10.678 -7.444 1.301 1.00 0.00 O ATOM 1293 CB MET A 87 9.157 -9.765 1.850 1.00 0.00 C ATOM 1294 CG MET A 87 9.910 -10.026 3.153 1.00 0.00 C ATOM 1295 SD MET A 87 10.819 -11.591 3.139 1.00 0.00 S ATOM 1296 CE MET A 87 9.483 -12.782 2.970 1.00 0.00 C ATOM 0 H MET A 87 8.439 -8.012 -0.291 1.00 0.00 H new ATOM 0 HA MET A 87 7.805 -8.263 2.571 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.379 -10.520 1.739 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.847 -9.893 1.016 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.607 -9.208 3.334 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.202 -10.030 3.982 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.864 -13.785 3.160 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.696 -12.551 3.688 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.078 -12.733 1.959 1.00 0.00 H new ATOM 1306 N VAL A 88 9.241 -6.180 2.438 1.00 0.00 N ATOM 1307 CA VAL A 88 10.164 -5.082 2.560 1.00 0.00 C ATOM 1308 C VAL A 88 9.780 -4.244 3.762 1.00 0.00 C ATOM 1309 O VAL A 88 8.602 -4.248 4.195 1.00 0.00 O ATOM 1310 CB VAL A 88 10.183 -4.204 1.267 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.853 -3.529 1.025 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.302 -3.188 1.314 1.00 0.00 C ATOM 0 H VAL A 88 8.326 -6.011 2.855 1.00 0.00 H new ATOM 0 HA VAL A 88 11.169 -5.483 2.695 1.00 0.00 H new ATOM 0 HB VAL A 88 10.366 -4.874 0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.909 -2.929 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.076 -4.285 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.612 -2.885 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.291 -2.592 0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.165 -2.535 2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.258 -3.704 1.398 1.00 0.00 H new ATOM 1322 N THR A 89 10.754 -3.600 4.346 1.00 0.00 N ATOM 1323 CA THR A 89 10.542 -2.752 5.460 1.00 0.00 C ATOM 1324 C THR A 89 9.886 -1.479 5.028 1.00 0.00 C ATOM 1325 O THR A 89 9.946 -1.101 3.858 1.00 0.00 O ATOM 1326 CB THR A 89 11.862 -2.423 6.175 1.00 0.00 C ATOM 1327 OG1 THR A 89 12.858 -2.072 5.212 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.331 -3.581 7.010 1.00 0.00 C ATOM 0 H THR A 89 11.728 -3.659 4.048 1.00 0.00 H new ATOM 0 HA THR A 89 9.892 -3.283 6.155 1.00 0.00 H new ATOM 0 HB THR A 89 11.690 -1.578 6.842 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.612 -2.694 5.280 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.267 -3.318 7.503 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.578 -3.816 7.762 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.489 -4.450 6.371 1.00 0.00 H new ATOM 1336 N HIS A 90 9.239 -0.847 5.966 1.00 0.00 N ATOM 1337 CA HIS A 90 8.635 0.454 5.759 1.00 0.00 C ATOM 1338 C HIS A 90 9.699 1.418 5.236 1.00 0.00 C ATOM 1339 O HIS A 90 9.497 2.088 4.242 1.00 0.00 O ATOM 1340 CB HIS A 90 8.059 0.963 7.102 1.00 0.00 C ATOM 1341 CG HIS A 90 7.335 2.286 7.053 1.00 0.00 C ATOM 1342 ND1 HIS A 90 5.992 2.433 7.313 1.00 0.00 N ATOM 1343 CD2 HIS A 90 7.780 3.521 6.727 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.671 3.706 7.113 1.00 0.00 C ATOM 1345 NE2 HIS A 90 6.721 4.414 6.762 1.00 0.00 N ATOM 0 H HIS A 90 9.111 -1.218 6.908 1.00 0.00 H new ATOM 0 HA HIS A 90 7.827 0.386 5.030 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.372 0.210 7.489 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.877 1.046 7.817 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.801 3.772 6.478 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.675 4.108 7.225 1.00 0.00 H new ATOM 0 HE2 HIS A 90 6.750 5.413 6.558 1.00 0.00 H new ATOM 1353 N ASP A 91 10.842 1.386 5.882 1.00 0.00 N ATOM 1354 CA ASP A 91 11.951 2.291 5.604 1.00 0.00 C ATOM 1355 C ASP A 91 12.471 2.107 4.190 1.00 0.00 C ATOM 1356 O ASP A 91 12.691 3.084 3.467 1.00 0.00 O ATOM 1357 CB ASP A 91 13.069 2.031 6.592 1.00 0.00 C ATOM 1358 CG ASP A 91 14.093 3.136 6.633 1.00 0.00 C ATOM 1359 OD1 ASP A 91 13.799 4.195 7.216 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.228 2.945 6.161 1.00 0.00 O ATOM 0 H ASP A 91 11.038 0.721 6.630 1.00 0.00 H new ATOM 0 HA ASP A 91 11.592 3.315 5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.643 1.902 7.587 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.564 1.095 6.333 1.00 0.00 H new ATOM 1365 N GLN A 92 12.637 0.853 3.785 1.00 0.00 N ATOM 1366 CA GLN A 92 13.125 0.553 2.445 1.00 0.00 C ATOM 1367 C GLN A 92 12.070 0.829 1.382 1.00 0.00 C ATOM 1368 O GLN A 92 12.384 1.331 0.307 1.00 0.00 O ATOM 1369 CB GLN A 92 13.661 -0.885 2.338 1.00 0.00 C ATOM 1370 CG GLN A 92 15.190 -0.996 2.390 1.00 0.00 C ATOM 1371 CD GLN A 92 15.838 -0.476 3.669 1.00 0.00 C ATOM 1372 OE1 GLN A 92 16.959 0.043 3.633 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.192 -0.641 4.797 1.00 0.00 N ATOM 0 H GLN A 92 12.442 0.034 4.361 1.00 0.00 H new ATOM 0 HA GLN A 92 13.961 1.227 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.238 -1.479 3.148 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.308 -1.323 1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.466 -2.043 2.262 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.606 -0.450 1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.268 -1.072 4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.613 -0.338 5.675 1.00 0.00 H new ATOM 1382 N ALA A 93 10.819 0.535 1.698 1.00 0.00 N ATOM 1383 CA ALA A 93 9.730 0.758 0.765 1.00 0.00 C ATOM 1384 C ALA A 93 9.529 2.228 0.522 1.00 0.00 C ATOM 1385 O ALA A 93 9.308 2.652 -0.613 1.00 0.00 O ATOM 1386 CB ALA A 93 8.455 0.147 1.273 1.00 0.00 C ATOM 0 H ALA A 93 10.534 0.141 2.595 1.00 0.00 H new ATOM 0 HA ALA A 93 9.997 0.278 -0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.654 0.328 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.592 -0.927 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.193 0.596 2.231 1.00 0.00 H new ATOM 1392 N ARG A 94 9.646 3.013 1.592 1.00 0.00 N ATOM 1393 CA ARG A 94 9.495 4.476 1.550 1.00 0.00 C ATOM 1394 C ARG A 94 10.384 5.108 0.494 1.00 0.00 C ATOM 1395 O ARG A 94 9.985 6.019 -0.214 1.00 0.00 O ATOM 1396 CB ARG A 94 9.824 5.085 2.920 1.00 0.00 C ATOM 1397 CG ARG A 94 8.703 5.070 3.924 1.00 0.00 C ATOM 1398 CD ARG A 94 7.659 6.102 3.594 1.00 0.00 C ATOM 1399 NE ARG A 94 8.188 7.476 3.750 1.00 0.00 N ATOM 1400 CZ ARG A 94 7.497 8.619 3.563 1.00 0.00 C ATOM 1401 NH1 ARG A 94 6.182 8.588 3.337 1.00 0.00 N ATOM 1402 NH2 ARG A 94 8.119 9.787 3.677 1.00 0.00 N ATOM 0 H ARG A 94 9.850 2.653 2.524 1.00 0.00 H new ATOM 0 HA ARG A 94 8.457 4.684 1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.673 4.548 3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.142 6.117 2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.245 4.081 3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.102 5.259 4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.314 5.958 2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.794 5.968 4.244 1.00 0.00 H new ATOM 0 HE ARG A 94 9.166 7.567 4.024 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.691 7.695 3.305 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.668 9.458 3.197 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.113 9.815 3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.603 10.656 3.537 1.00 0.00 H new ATOM 1416 N LYS A 95 11.517 4.552 0.316 1.00 0.00 N ATOM 1417 CA LYS A 95 12.495 5.107 -0.558 1.00 0.00 C ATOM 1418 C LYS A 95 12.269 4.572 -1.980 1.00 0.00 C ATOM 1419 O LYS A 95 13.090 4.749 -2.859 1.00 0.00 O ATOM 1420 CB LYS A 95 13.904 4.752 -0.028 1.00 0.00 C ATOM 1421 CG LYS A 95 15.065 5.497 -0.685 1.00 0.00 C ATOM 1422 CD LYS A 95 14.988 6.995 -0.422 1.00 0.00 C ATOM 1423 CE LYS A 95 16.138 7.727 -1.084 1.00 0.00 C ATOM 1424 NZ LYS A 95 16.095 9.176 -0.816 1.00 0.00 N ATOM 0 H LYS A 95 11.805 3.687 0.774 1.00 0.00 H new ATOM 0 HA LYS A 95 12.408 6.193 -0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.930 4.949 1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.062 3.682 -0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.010 5.108 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.054 5.314 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.042 7.385 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 95 15.006 7.180 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.083 7.319 -0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.106 7.556 -2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.898 9.640 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 15.205 9.570 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.152 9.341 0.209 1.00 0.00 H new ATOM 1438 N ARG A 96 11.117 3.961 -2.212 1.00 0.00 N ATOM 1439 CA ARG A 96 10.847 3.411 -3.509 1.00 0.00 C ATOM 1440 C ARG A 96 9.474 3.788 -3.992 1.00 0.00 C ATOM 1441 O ARG A 96 9.290 4.096 -5.155 1.00 0.00 O ATOM 1442 CB ARG A 96 11.038 1.883 -3.556 1.00 0.00 C ATOM 1443 CG ARG A 96 10.912 1.299 -4.970 1.00 0.00 C ATOM 1444 CD ARG A 96 12.021 1.825 -5.887 1.00 0.00 C ATOM 1445 NE ARG A 96 11.851 1.414 -7.289 1.00 0.00 N ATOM 1446 CZ ARG A 96 12.448 0.353 -7.857 1.00 0.00 C ATOM 1447 NH1 ARG A 96 13.263 -0.410 -7.146 1.00 0.00 N ATOM 1448 NH2 ARG A 96 12.240 0.071 -9.140 1.00 0.00 N ATOM 0 H ARG A 96 10.373 3.840 -1.525 1.00 0.00 H new ATOM 0 HA ARG A 96 11.582 3.848 -4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.020 1.634 -3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.299 1.411 -2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.961 0.211 -4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.939 1.557 -5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.043 2.913 -5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.985 1.468 -5.524 1.00 0.00 H new ATOM 0 HE ARG A 96 11.233 1.977 -7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.439 -0.193 -6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.715 -1.215 -7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.624 0.662 -9.699 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.696 -0.736 -9.565 1.00 0.00 H new ATOM 1462 N LEU A 97 8.511 3.785 -3.114 1.00 0.00 N ATOM 1463 CA LEU A 97 7.170 4.058 -3.559 1.00 0.00 C ATOM 1464 C LEU A 97 6.707 5.476 -3.223 1.00 0.00 C ATOM 1465 O LEU A 97 5.658 5.908 -3.638 1.00 0.00 O ATOM 1466 CB LEU A 97 6.245 3.007 -3.015 1.00 0.00 C ATOM 1467 CG LEU A 97 5.550 3.246 -1.693 1.00 0.00 C ATOM 1468 CD1 LEU A 97 4.798 2.020 -1.375 1.00 0.00 C ATOM 1469 CD2 LEU A 97 6.500 3.561 -0.557 1.00 0.00 C ATOM 0 H LEU A 97 8.620 3.603 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 97 7.154 4.012 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.473 2.830 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.817 2.083 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 97 4.906 4.120 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.279 2.148 -0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.071 1.825 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.488 1.179 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.931 3.721 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.188 2.728 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.065 4.462 -0.795 1.00 0.00 H new ATOM 1481 N THR A 98 7.446 6.150 -2.401 1.00 0.00 N ATOM 1482 CA THR A 98 7.142 7.549 -2.159 1.00 0.00 C ATOM 1483 C THR A 98 8.377 8.433 -2.411 1.00 0.00 C ATOM 1484 O THR A 98 8.416 9.624 -2.023 1.00 0.00 O ATOM 1485 CB THR A 98 6.484 7.784 -0.759 1.00 0.00 C ATOM 1486 OG1 THR A 98 6.134 9.165 -0.557 1.00 0.00 O ATOM 1487 CG2 THR A 98 7.388 7.341 0.339 1.00 0.00 C ATOM 0 H THR A 98 8.248 5.779 -1.891 1.00 0.00 H new ATOM 0 HA THR A 98 6.385 7.855 -2.881 1.00 0.00 H new ATOM 0 HB THR A 98 5.572 7.188 -0.739 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.745 9.735 -1.069 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.905 7.516 1.301 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.601 6.278 0.228 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.320 7.905 0.293 1.00 0.00 H new ATOM 1495 N LYS A 99 9.381 7.841 -3.073 1.00 0.00 N ATOM 1496 CA LYS A 99 10.562 8.571 -3.577 1.00 0.00 C ATOM 1497 C LYS A 99 10.148 9.544 -4.715 1.00 0.00 C ATOM 1498 O LYS A 99 8.962 9.760 -4.954 1.00 0.00 O ATOM 1499 CB LYS A 99 11.579 7.585 -4.145 1.00 0.00 C ATOM 1500 CG LYS A 99 10.988 6.713 -5.233 1.00 0.00 C ATOM 1501 CD LYS A 99 11.995 6.324 -6.294 1.00 0.00 C ATOM 1502 CE LYS A 99 13.166 5.521 -5.763 1.00 0.00 C ATOM 1503 NZ LYS A 99 14.017 5.020 -6.855 1.00 0.00 N ATOM 0 H LYS A 99 9.401 6.842 -3.276 1.00 0.00 H new ATOM 0 HA LYS A 99 10.996 9.129 -2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.430 8.135 -4.546 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.957 6.953 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.576 5.810 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.159 7.241 -5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.489 5.744 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.373 7.228 -6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.760 6.142 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.796 4.681 -5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.836 4.519 -6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.469 4.368 -7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.349 5.820 -7.431 1.00 0.00 H new ATOM 1517 N ARG A 100 11.122 10.108 -5.426 1.00 0.00 N ATOM 1518 CA ARG A 100 10.798 11.033 -6.503 1.00 0.00 C ATOM 1519 C ARG A 100 11.566 10.721 -7.775 1.00 0.00 C ATOM 1520 O ARG A 100 11.461 11.443 -8.764 1.00 0.00 O ATOM 1521 CB ARG A 100 11.062 12.482 -6.090 1.00 0.00 C ATOM 1522 CG ARG A 100 12.473 12.768 -5.629 1.00 0.00 C ATOM 1523 CD ARG A 100 12.743 14.262 -5.645 1.00 0.00 C ATOM 1524 NE ARG A 100 12.577 14.829 -7.001 1.00 0.00 N ATOM 1525 CZ ARG A 100 12.224 16.097 -7.291 1.00 0.00 C ATOM 1526 NH1 ARG A 100 12.009 16.976 -6.319 1.00 0.00 N ATOM 1527 NH2 ARG A 100 12.090 16.469 -8.563 1.00 0.00 N ATOM 0 H ARG A 100 12.118 9.945 -5.280 1.00 0.00 H new ATOM 0 HA ARG A 100 9.734 10.907 -6.706 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.833 13.132 -6.934 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.373 12.747 -5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.620 12.376 -4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.185 12.257 -6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.064 14.763 -4.955 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.756 14.453 -5.291 1.00 0.00 H new ATOM 0 HE ARG A 100 12.745 14.203 -7.789 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.111 16.693 -5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.742 17.934 -6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 100 12.254 15.796 -9.311 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.823 17.427 -8.789 1.00 0.00 H new ATOM 1541 N SER A 101 12.332 9.666 -7.751 1.00 0.00 N ATOM 1542 CA SER A 101 13.153 9.308 -8.884 1.00 0.00 C ATOM 1543 C SER A 101 12.308 8.742 -10.032 1.00 0.00 C ATOM 1544 O SER A 101 12.540 9.059 -11.211 1.00 0.00 O ATOM 1545 CB SER A 101 14.197 8.320 -8.432 1.00 0.00 C ATOM 1546 OG SER A 101 14.956 8.857 -7.367 1.00 0.00 O ATOM 0 H SER A 101 12.408 9.032 -6.955 1.00 0.00 H new ATOM 0 HA SER A 101 13.644 10.201 -9.270 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.717 7.394 -8.114 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.854 8.069 -9.265 1.00 0.00 H new ATOM 0 HG SER A 101 15.629 8.204 -7.083 1.00 0.00 H new ATOM 1552 N GLU A 102 11.334 7.938 -9.694 1.00 0.00 N ATOM 1553 CA GLU A 102 10.447 7.374 -10.678 1.00 0.00 C ATOM 1554 C GLU A 102 9.221 8.235 -10.804 1.00 0.00 C ATOM 1555 O GLU A 102 8.662 8.678 -9.807 1.00 0.00 O ATOM 1556 CB GLU A 102 10.037 5.921 -10.368 1.00 0.00 C ATOM 1557 CG GLU A 102 11.125 4.850 -10.533 1.00 0.00 C ATOM 1558 CD GLU A 102 12.186 4.841 -9.458 1.00 0.00 C ATOM 1559 OE1 GLU A 102 13.183 5.571 -9.571 1.00 0.00 O ATOM 1560 OE2 GLU A 102 12.059 4.080 -8.485 1.00 0.00 O ATOM 0 H GLU A 102 11.134 7.657 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 102 10.995 7.349 -11.620 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.673 5.881 -9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.199 5.658 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.647 3.871 -10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.610 4.993 -11.499 1.00 0.00 H new ATOM 1567 N GLU A 103 8.846 8.497 -12.021 1.00 0.00 N ATOM 1568 CA GLU A 103 7.684 9.281 -12.317 1.00 0.00 C ATOM 1569 C GLU A 103 6.408 8.447 -12.236 1.00 0.00 C ATOM 1570 O GLU A 103 5.518 8.733 -11.457 1.00 0.00 O ATOM 1571 CB GLU A 103 7.815 10.021 -13.678 1.00 0.00 C ATOM 1572 CG GLU A 103 8.373 9.223 -14.862 1.00 0.00 C ATOM 1573 CD GLU A 103 9.862 8.971 -14.798 1.00 0.00 C ATOM 1574 OE1 GLU A 103 10.272 7.944 -14.230 1.00 0.00 O ATOM 1575 OE2 GLU A 103 10.636 9.796 -15.319 1.00 0.00 O ATOM 0 H GLU A 103 9.345 8.168 -12.847 1.00 0.00 H new ATOM 0 HA GLU A 103 7.610 10.051 -11.549 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.829 10.392 -13.956 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.453 10.892 -13.528 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.856 8.265 -14.914 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.147 9.758 -15.784 1.00 0.00 H new ATOM 1582 N VAL A 104 6.330 7.448 -13.054 1.00 0.00 N ATOM 1583 CA VAL A 104 5.237 6.541 -13.067 1.00 0.00 C ATOM 1584 C VAL A 104 5.707 5.127 -12.797 1.00 0.00 C ATOM 1585 O VAL A 104 6.653 4.639 -13.430 1.00 0.00 O ATOM 1586 CB VAL A 104 4.401 6.640 -14.379 1.00 0.00 C ATOM 1587 CG1 VAL A 104 5.264 6.721 -15.609 1.00 0.00 C ATOM 1588 CG2 VAL A 104 3.436 5.483 -14.508 1.00 0.00 C ATOM 0 H VAL A 104 7.046 7.238 -13.749 1.00 0.00 H new ATOM 0 HA VAL A 104 4.565 6.827 -12.258 1.00 0.00 H new ATOM 0 HB VAL A 104 3.836 7.569 -14.306 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.631 6.788 -16.494 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.900 7.604 -15.550 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.887 5.829 -15.676 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.869 5.583 -15.434 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.992 4.546 -14.523 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.750 5.485 -13.661 1.00 0.00 H new ATOM 1598 N VAL A 105 5.060 4.486 -11.856 1.00 0.00 N ATOM 1599 CA VAL A 105 5.408 3.154 -11.437 1.00 0.00 C ATOM 1600 C VAL A 105 4.201 2.226 -11.541 1.00 0.00 C ATOM 1601 O VAL A 105 3.046 2.658 -11.360 1.00 0.00 O ATOM 1602 CB VAL A 105 5.913 3.149 -9.971 1.00 0.00 C ATOM 1603 CG1 VAL A 105 7.193 3.951 -9.824 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.855 3.714 -9.053 1.00 0.00 C ATOM 0 H VAL A 105 4.266 4.882 -11.353 1.00 0.00 H new ATOM 0 HA VAL A 105 6.202 2.801 -12.095 1.00 0.00 H new ATOM 0 HB VAL A 105 6.122 2.115 -9.696 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.520 3.927 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.968 3.520 -10.458 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.012 4.983 -10.124 1.00 0.00 H new ATOM 0 HG21 VAL A 105 5.222 3.705 -8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.627 4.738 -9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.952 3.107 -9.121 1.00 0.00 H new ATOM 1614 N ARG A 106 4.456 0.982 -11.859 1.00 0.00 N ATOM 1615 CA ARG A 106 3.401 -0.019 -11.890 1.00 0.00 C ATOM 1616 C ARG A 106 3.397 -0.834 -10.620 1.00 0.00 C ATOM 1617 O ARG A 106 4.374 -1.497 -10.281 1.00 0.00 O ATOM 1618 CB ARG A 106 3.493 -0.894 -13.124 1.00 0.00 C ATOM 1619 CG ARG A 106 3.216 -0.099 -14.377 1.00 0.00 C ATOM 1620 CD ARG A 106 3.218 -0.926 -15.635 1.00 0.00 C ATOM 1621 NE ARG A 106 2.921 -0.065 -16.783 1.00 0.00 N ATOM 1622 CZ ARG A 106 3.171 -0.344 -18.056 1.00 0.00 C ATOM 1623 NH1 ARG A 106 3.668 -1.527 -18.394 1.00 0.00 N ATOM 1624 NH2 ARG A 106 2.908 0.568 -18.995 1.00 0.00 N ATOM 0 H ARG A 106 5.382 0.631 -12.101 1.00 0.00 H new ATOM 0 HA ARG A 106 2.447 0.504 -11.949 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.486 -1.339 -13.184 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.780 -1.715 -13.045 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.248 0.392 -14.278 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.965 0.688 -14.470 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.188 -1.405 -15.767 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.477 -1.722 -15.562 1.00 0.00 H new ATOM 0 HE ARG A 106 2.481 0.833 -16.585 1.00 0.00 H new ATOM 0 HH11 ARG A 106 3.859 -2.224 -17.675 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.859 -1.739 -19.373 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.517 1.473 -18.732 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.098 0.360 -19.975 1.00 0.00 H new ATOM 1638 N LEU A 107 2.323 -0.743 -9.914 1.00 0.00 N ATOM 1639 CA LEU A 107 2.164 -1.377 -8.638 1.00 0.00 C ATOM 1640 C LEU A 107 1.132 -2.468 -8.761 1.00 0.00 C ATOM 1641 O LEU A 107 0.281 -2.420 -9.638 1.00 0.00 O ATOM 1642 CB LEU A 107 1.627 -0.356 -7.641 1.00 0.00 C ATOM 1643 CG LEU A 107 2.265 1.027 -7.656 1.00 0.00 C ATOM 1644 CD1 LEU A 107 1.583 1.926 -6.667 1.00 0.00 C ATOM 1645 CD2 LEU A 107 3.727 0.952 -7.356 1.00 0.00 C ATOM 0 H LEU A 107 1.504 -0.212 -10.211 1.00 0.00 H new ATOM 0 HA LEU A 107 3.123 -1.778 -8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.558 -0.238 -7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.739 -0.770 -6.639 1.00 0.00 H new ATOM 0 HG LEU A 107 2.144 1.440 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.049 2.911 -6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.528 2.018 -6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.675 1.503 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.154 1.955 -7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.874 0.513 -6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.221 0.334 -8.106 1.00 0.00 H new ATOM 1657 N LEU A 108 1.210 -3.430 -7.902 1.00 0.00 N ATOM 1658 CA LEU A 108 0.236 -4.470 -7.805 1.00 0.00 C ATOM 1659 C LEU A 108 -0.120 -4.661 -6.372 1.00 0.00 C ATOM 1660 O LEU A 108 0.768 -4.864 -5.524 1.00 0.00 O ATOM 1661 CB LEU A 108 0.716 -5.789 -8.389 1.00 0.00 C ATOM 1662 CG LEU A 108 0.240 -6.127 -9.800 1.00 0.00 C ATOM 1663 CD1 LEU A 108 0.930 -5.271 -10.853 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.420 -7.600 -10.102 1.00 0.00 C ATOM 0 H LEU A 108 1.972 -3.518 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.632 -4.164 -8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.806 -5.785 -8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.401 -6.591 -7.722 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.825 -5.899 -9.840 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.562 -5.544 -11.842 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.716 -4.219 -10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.006 -5.436 -10.808 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.072 -7.809 -11.114 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.475 -7.862 -10.020 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.157 -8.190 -9.390 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.384 -4.599 -6.089 1.00 0.00 N ATOM 1677 CA VAL A 109 -1.857 -4.720 -4.727 1.00 0.00 C ATOM 1678 C VAL A 109 -2.841 -5.843 -4.629 1.00 0.00 C ATOM 1679 O VAL A 109 -3.418 -6.265 -5.632 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.509 -3.414 -4.168 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.587 -2.232 -4.281 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.834 -3.110 -4.821 1.00 0.00 C ATOM 0 H VAL A 109 -2.119 -4.464 -6.783 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.976 -4.919 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.695 -3.600 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.080 -1.346 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.676 -2.426 -3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.336 -2.065 -5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.246 -2.194 -4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.690 -2.982 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.525 -3.934 -4.643 1.00 0.00 H new ATOM 1692 N THR A 110 -3.023 -6.335 -3.459 1.00 0.00 N ATOM 1693 CA THR A 110 -3.953 -7.371 -3.236 1.00 0.00 C ATOM 1694 C THR A 110 -5.116 -6.863 -2.397 1.00 0.00 C ATOM 1695 O THR A 110 -4.931 -6.109 -1.432 1.00 0.00 O ATOM 1696 CB THR A 110 -3.294 -8.608 -2.575 1.00 0.00 C ATOM 1697 OG1 THR A 110 -2.578 -8.244 -1.385 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.356 -9.289 -3.526 1.00 0.00 C ATOM 0 H THR A 110 -2.525 -6.025 -2.624 1.00 0.00 H new ATOM 0 HA THR A 110 -4.332 -7.691 -4.206 1.00 0.00 H new ATOM 0 HB THR A 110 -4.097 -9.295 -2.308 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.024 -7.456 -1.565 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.907 -10.154 -3.037 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.906 -9.616 -4.408 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.572 -8.593 -3.825 1.00 0.00 H new ATOM 1706 N ARG A 111 -6.290 -7.254 -2.781 1.00 0.00 N ATOM 1707 CA ARG A 111 -7.497 -6.920 -2.095 1.00 0.00 C ATOM 1708 C ARG A 111 -7.892 -8.078 -1.264 1.00 0.00 C ATOM 1709 O ARG A 111 -8.162 -9.157 -1.781 1.00 0.00 O ATOM 1710 CB ARG A 111 -8.620 -6.536 -3.072 1.00 0.00 C ATOM 1711 CG ARG A 111 -8.497 -5.127 -3.615 1.00 0.00 C ATOM 1712 CD ARG A 111 -8.756 -4.115 -2.508 1.00 0.00 C ATOM 1713 NE ARG A 111 -8.442 -2.757 -2.912 1.00 0.00 N ATOM 1714 CZ ARG A 111 -7.924 -1.841 -2.098 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -7.795 -2.084 -0.793 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -7.553 -0.685 -2.575 1.00 0.00 N ATOM 0 H ARG A 111 -6.439 -7.833 -3.607 1.00 0.00 H new ATOM 0 HA ARG A 111 -7.324 -6.048 -1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -8.621 -7.239 -3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -9.580 -6.639 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -7.501 -4.975 -4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.208 -4.979 -4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -9.803 -4.169 -2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -8.160 -4.377 -1.634 1.00 0.00 H new ATOM 0 HE ARG A 111 -8.630 -2.489 -3.878 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -8.095 -2.980 -0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.396 -1.374 -0.179 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -7.660 -0.485 -3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -7.156 0.019 -1.953 1.00 0.00 H new ATOM 1730 N GLN A 112 -7.895 -7.870 0.019 1.00 0.00 N ATOM 1731 CA GLN A 112 -8.208 -8.920 0.972 1.00 0.00 C ATOM 1732 C GLN A 112 -9.669 -8.811 1.336 1.00 0.00 C ATOM 1733 O GLN A 112 -10.144 -9.431 2.273 1.00 0.00 O ATOM 1734 CB GLN A 112 -7.373 -8.738 2.233 1.00 0.00 C ATOM 1735 CG GLN A 112 -5.903 -8.459 1.983 1.00 0.00 C ATOM 1736 CD GLN A 112 -5.174 -9.532 1.206 1.00 0.00 C ATOM 1737 OE1 GLN A 112 -4.678 -10.498 1.757 1.00 0.00 O ATOM 1738 NE2 GLN A 112 -5.028 -9.330 -0.057 1.00 0.00 N ATOM 0 H GLN A 112 -7.681 -6.969 0.446 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.991 -9.894 0.533 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -7.791 -7.916 2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -7.460 -9.637 2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -5.814 -7.516 1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -5.405 -8.325 2.943 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -5.453 -8.513 -0.495 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -4.487 -9.987 -0.619 1.00 0.00 H new ATOM 1747 N SER A 113 -10.383 -8.055 0.534 1.00 0.00 N ATOM 1748 CA SER A 113 -11.780 -7.728 0.736 1.00 0.00 C ATOM 1749 C SER A 113 -12.714 -8.912 0.459 1.00 0.00 C ATOM 1750 O SER A 113 -13.925 -8.764 0.358 1.00 0.00 O ATOM 1751 CB SER A 113 -12.109 -6.548 -0.155 1.00 0.00 C ATOM 1752 OG SER A 113 -11.121 -5.537 0.003 1.00 0.00 O ATOM 0 H SER A 113 -9.994 -7.634 -0.310 1.00 0.00 H new ATOM 0 HA SER A 113 -11.939 -7.475 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.153 -6.867 -1.196 1.00 0.00 H new ATOM 0 HB3 SER A 113 -13.092 -6.152 0.098 1.00 0.00 H new ATOM 0 HG SER A 113 -11.336 -4.776 -0.576 1.00 0.00 H new ATOM 1758 N LEU A 114 -12.143 -10.068 0.385 1.00 0.00 N ATOM 1759 CA LEU A 114 -12.891 -11.290 0.151 1.00 0.00 C ATOM 1760 C LEU A 114 -12.727 -12.205 1.345 1.00 0.00 C ATOM 1761 O LEU A 114 -12.961 -13.412 1.277 1.00 0.00 O ATOM 1762 CB LEU A 114 -12.472 -12.008 -1.154 1.00 0.00 C ATOM 1763 CG LEU A 114 -12.782 -11.302 -2.492 1.00 0.00 C ATOM 1764 CD1 LEU A 114 -11.868 -10.106 -2.750 1.00 0.00 C ATOM 1765 CD2 LEU A 114 -12.713 -12.289 -3.634 1.00 0.00 C ATOM 0 H LEU A 114 -11.138 -10.208 0.484 1.00 0.00 H new ATOM 0 HA LEU A 114 -13.941 -11.024 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.397 -12.185 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -12.956 -12.985 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.796 -10.909 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -12.130 -9.647 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -11.990 -9.376 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -10.831 -10.440 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.934 -11.777 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.713 -12.720 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -13.443 -13.083 -3.473 1.00 0.00 H new ATOM 1777 N GLN A 115 -12.312 -11.616 2.441 1.00 0.00 N ATOM 1778 CA GLN A 115 -12.177 -12.323 3.686 1.00 0.00 C ATOM 1779 C GLN A 115 -13.550 -12.459 4.330 1.00 0.00 C ATOM 1780 O GLN A 115 -14.439 -11.619 4.102 1.00 0.00 O ATOM 1781 CB GLN A 115 -11.188 -11.601 4.622 1.00 0.00 C ATOM 1782 CG GLN A 115 -11.600 -10.182 5.045 1.00 0.00 C ATOM 1783 CD GLN A 115 -10.523 -9.470 5.859 1.00 0.00 C ATOM 1784 OE1 GLN A 115 -9.281 -9.749 5.555 1.00 0.00 O flip ATOM 1785 NE2 GLN A 115 -10.822 -8.642 6.737 1.00 0.00 N flip ATOM 0 H GLN A 115 -12.058 -10.629 2.492 1.00 0.00 H new ATOM 0 HA GLN A 115 -11.773 -13.318 3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -11.055 -12.206 5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -10.218 -11.548 4.127 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -11.825 -9.594 4.155 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.517 -10.235 5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -11.802 -8.451 6.946 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -10.087 -8.153 7.249 1.00 0.00 H new ATOM 1794 N LYS A 116 -13.741 -13.505 5.076 1.00 0.00 N ATOM 1795 CA LYS A 116 -14.998 -13.772 5.726 1.00 0.00 C ATOM 1796 C LYS A 116 -14.736 -14.638 6.929 1.00 0.00 C ATOM 1797 O LYS A 116 -13.903 -15.550 6.856 1.00 0.00 O ATOM 1798 CB LYS A 116 -15.948 -14.514 4.760 1.00 0.00 C ATOM 1799 CG LYS A 116 -17.253 -14.972 5.397 1.00 0.00 C ATOM 1800 CD LYS A 116 -18.060 -15.854 4.472 1.00 0.00 C ATOM 1801 CE LYS A 116 -19.247 -16.456 5.205 1.00 0.00 C ATOM 1802 NZ LYS A 116 -20.031 -17.358 4.340 1.00 0.00 N ATOM 0 H LYS A 116 -13.024 -14.207 5.255 1.00 0.00 H new ATOM 0 HA LYS A 116 -15.464 -12.833 6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -16.177 -13.859 3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -15.430 -15.383 4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.036 -15.515 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.846 -14.100 5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -18.410 -15.272 3.619 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -17.428 -16.650 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.894 -17.006 6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.890 -15.656 5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -20.831 -17.747 4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -20.390 -16.828 3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -19.425 -18.136 4.010 1.00 0.00 H new ATOM 1816 N ALA A 117 -15.406 -14.354 8.020 1.00 0.00 N ATOM 1817 CA ALA A 117 -15.307 -15.178 9.188 1.00 0.00 C ATOM 1818 C ALA A 117 -16.026 -16.478 8.914 1.00 0.00 C ATOM 1819 O ALA A 117 -17.077 -16.488 8.252 1.00 0.00 O ATOM 1820 CB ALA A 117 -15.900 -14.490 10.394 1.00 0.00 C ATOM 0 H ALA A 117 -16.028 -13.552 8.118 1.00 0.00 H new ATOM 0 HA ALA A 117 -14.257 -15.369 9.409 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -15.810 -15.140 11.264 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -15.366 -13.558 10.580 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -16.952 -14.275 10.209 1.00 0.00 H new ATOM 1826 N VAL A 118 -15.475 -17.547 9.424 1.00 0.00 N ATOM 1827 CA VAL A 118 -15.963 -18.895 9.185 1.00 0.00 C ATOM 1828 C VAL A 118 -15.801 -19.267 7.704 1.00 0.00 C ATOM 1829 O VAL A 118 -16.753 -19.282 6.916 1.00 0.00 O ATOM 1830 CB VAL A 118 -17.425 -19.148 9.689 1.00 0.00 C ATOM 1831 CG1 VAL A 118 -17.831 -20.613 9.529 1.00 0.00 C ATOM 1832 CG2 VAL A 118 -17.577 -18.715 11.138 1.00 0.00 C ATOM 0 H VAL A 118 -14.656 -17.513 10.031 1.00 0.00 H new ATOM 0 HA VAL A 118 -15.342 -19.556 9.789 1.00 0.00 H new ATOM 0 HB VAL A 118 -18.091 -18.547 9.070 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -18.851 -20.749 9.889 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -17.777 -20.893 8.477 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -17.155 -21.243 10.107 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -18.599 -18.899 11.468 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -16.887 -19.283 11.762 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -17.354 -17.652 11.225 1.00 0.00 H new ATOM 1842 N GLN A 119 -14.574 -19.459 7.335 1.00 0.00 N ATOM 1843 CA GLN A 119 -14.178 -19.886 6.011 1.00 0.00 C ATOM 1844 C GLN A 119 -12.879 -20.621 6.186 1.00 0.00 C ATOM 1845 O GLN A 119 -12.808 -21.823 5.979 1.00 0.00 O ATOM 1846 CB GLN A 119 -13.991 -18.688 5.056 1.00 0.00 C ATOM 1847 CG GLN A 119 -13.559 -19.095 3.646 1.00 0.00 C ATOM 1848 CD GLN A 119 -13.335 -17.919 2.703 1.00 0.00 C ATOM 1849 OE1 GLN A 119 -14.085 -16.857 2.874 1.00 0.00 O flip ATOM 1850 NE2 GLN A 119 -12.497 -17.986 1.801 1.00 0.00 N flip ATOM 0 H GLN A 119 -13.783 -19.320 7.964 1.00 0.00 H new ATOM 0 HA GLN A 119 -14.948 -20.516 5.564 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -14.927 -18.132 4.995 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -13.246 -18.012 5.475 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -12.638 -19.675 3.712 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -14.318 -19.750 3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -11.929 -18.826 1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -12.372 -17.201 1.162 1.00 0.00 H new ATOM 1859 N GLN A 120 -11.885 -19.875 6.653 1.00 0.00 N ATOM 1860 CA GLN A 120 -10.594 -20.354 7.008 1.00 0.00 C ATOM 1861 C GLN A 120 -9.860 -21.159 5.949 1.00 0.00 C ATOM 1862 O GLN A 120 -10.094 -22.350 5.756 1.00 0.00 O ATOM 1863 CB GLN A 120 -10.617 -21.049 8.355 1.00 0.00 C ATOM 1864 CG GLN A 120 -10.429 -20.119 9.552 1.00 0.00 C ATOM 1865 CD GLN A 120 -11.445 -18.993 9.669 1.00 0.00 C ATOM 1866 OE1 GLN A 120 -12.613 -19.123 9.291 1.00 0.00 O ATOM 1867 NE2 GLN A 120 -10.998 -17.878 10.157 1.00 0.00 N ATOM 0 H GLN A 120 -11.983 -18.870 6.794 1.00 0.00 H new ATOM 0 HA GLN A 120 -9.986 -19.453 7.088 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -11.567 -21.572 8.463 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.833 -21.806 8.372 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -10.466 -20.716 10.463 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -9.432 -19.682 9.498 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -10.026 -17.807 10.460 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -11.618 -17.072 10.238 1.00 0.00 H new ATOM 1876 N SER A 121 -8.966 -20.483 5.278 1.00 0.00 N ATOM 1877 CA SER A 121 -8.066 -21.089 4.322 1.00 0.00 C ATOM 1878 C SER A 121 -7.102 -21.997 5.109 1.00 0.00 C ATOM 1879 O SER A 121 -6.626 -23.035 4.632 1.00 0.00 O ATOM 1880 CB SER A 121 -7.296 -19.963 3.631 1.00 0.00 C ATOM 1881 OG SER A 121 -8.196 -18.937 3.200 1.00 0.00 O ATOM 0 H SER A 121 -8.837 -19.476 5.380 1.00 0.00 H new ATOM 0 HA SER A 121 -8.594 -21.678 3.572 1.00 0.00 H new ATOM 0 HB2 SER A 121 -6.558 -19.545 4.315 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.749 -20.359 2.776 1.00 0.00 H new ATOM 0 HG SER A 121 -8.504 -18.425 3.977 1.00 0.00 H new ATOM 1887 N MET A 122 -6.864 -21.571 6.332 1.00 0.00 N ATOM 1888 CA MET A 122 -6.074 -22.252 7.321 1.00 0.00 C ATOM 1889 C MET A 122 -6.375 -21.583 8.638 1.00 0.00 C ATOM 1890 O MET A 122 -6.972 -22.179 9.526 1.00 0.00 O ATOM 1891 CB MET A 122 -4.571 -22.191 6.994 1.00 0.00 C ATOM 1892 CG MET A 122 -3.671 -22.768 8.076 1.00 0.00 C ATOM 1893 SD MET A 122 -4.057 -24.476 8.474 1.00 0.00 S ATOM 1894 CE MET A 122 -2.843 -24.787 9.755 1.00 0.00 C ATOM 0 H MET A 122 -7.242 -20.688 6.676 1.00 0.00 H new ATOM 0 HA MET A 122 -6.326 -23.312 7.351 1.00 0.00 H new ATOM 0 HB2 MET A 122 -4.391 -22.729 6.063 1.00 0.00 H new ATOM 0 HB3 MET A 122 -4.291 -21.152 6.821 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.633 -22.702 7.750 1.00 0.00 H new ATOM 0 HG3 MET A 122 -3.761 -22.162 8.977 1.00 0.00 H new ATOM 0 HE1 MET A 122 -2.947 -25.811 10.114 1.00 0.00 H new ATOM 0 HE2 MET A 122 -1.841 -24.644 9.349 1.00 0.00 H new ATOM 0 HE3 MET A 122 -3.001 -24.095 10.582 1.00 0.00 H new ATOM 1904 N LEU A 123 -6.003 -20.326 8.730 1.00 0.00 N ATOM 1905 CA LEU A 123 -6.318 -19.504 9.884 1.00 0.00 C ATOM 1906 C LEU A 123 -7.248 -18.384 9.448 1.00 0.00 C ATOM 1907 O LEU A 123 -8.107 -17.937 10.198 1.00 0.00 O ATOM 1908 CB LEU A 123 -5.042 -18.935 10.520 1.00 0.00 C ATOM 1909 CG LEU A 123 -4.047 -19.965 11.073 1.00 0.00 C ATOM 1910 CD1 LEU A 123 -2.815 -19.275 11.622 1.00 0.00 C ATOM 1911 CD2 LEU A 123 -4.695 -20.830 12.152 1.00 0.00 C ATOM 0 H LEU A 123 -5.472 -19.841 8.007 1.00 0.00 H new ATOM 0 HA LEU A 123 -6.811 -20.116 10.639 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -4.529 -18.327 9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -5.331 -18.267 11.331 1.00 0.00 H new ATOM 0 HG LEU A 123 -3.746 -20.615 10.251 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -2.122 -20.022 12.009 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -2.331 -18.708 10.827 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -3.105 -18.598 12.425 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -3.968 -21.551 12.526 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -5.033 -20.196 12.972 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -5.548 -21.361 11.729 1.00 0.00 H new ATOM 1923 N SER A 124 -7.063 -17.931 8.236 1.00 0.00 N ATOM 1924 CA SER A 124 -7.914 -16.938 7.638 1.00 0.00 C ATOM 1925 C SER A 124 -7.988 -17.237 6.147 1.00 0.00 C ATOM 1926 O SER A 124 -8.945 -17.884 5.713 1.00 0.00 O ATOM 1927 CB SER A 124 -7.355 -15.533 7.901 1.00 0.00 C ATOM 1928 OG SER A 124 -7.187 -15.319 9.305 1.00 0.00 O ATOM 1929 OXT SER A 124 -7.025 -16.949 5.441 1.00 0.00 O ATOM 0 H SER A 124 -6.306 -18.246 7.629 1.00 0.00 H new ATOM 0 HA SER A 124 -8.914 -16.969 8.070 1.00 0.00 H new ATOM 0 HB2 SER A 124 -6.399 -15.414 7.391 1.00 0.00 H new ATOM 0 HB3 SER A 124 -8.031 -14.783 7.490 1.00 0.00 H new ATOM 0 HG SER A 124 -6.828 -14.420 9.458 1.00 0.00 H new TER 1935 SER A 124