USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 757 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 60 SER OG : rot -76:sc= 1.02 USER MOD Set 1.2: A 62 ASN : amide:sc= -0.348 K(o=0.68,f=-8.1!) USER MOD Set 2.1: A 46 MET CE :methyl -143:sc= -2.52! (180deg=-7.48!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -173:sc= 0 (180deg=0) USER MOD Set 3.1: A 25 LYS NZ :NH3+ 174:sc= -1.27 (180deg=-1.45) USER MOD Set 3.2: A 82 ASN : amide:sc= -0.0696 X(o=-1.3,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0495 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 84:sc= 1.13 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -1.79! C(o=-1.8!,f=-1.5!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.68! C(o=-2.7!,f=-4.5!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -160:sc= -0.754! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -149:sc= -1.35 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -80:sc= 0.161 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 145:sc= -0.135 (180deg=-1.01) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 159:sc= -1.32 USER MOD Single : A 74 THR OG1 : rot 64:sc= -0.3! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.093) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 35:sc= 0.853 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 44:sc= 0.032 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -8.539 -14.547 -9.019 1.00 0.00 N ATOM 2 CA GLY A -1 -9.073 -13.214 -9.241 1.00 0.00 C ATOM 3 C GLY A -1 -9.829 -12.714 -8.007 1.00 0.00 C ATOM 4 O GLY A -1 -11.013 -13.000 -7.842 1.00 0.00 O ATOM 0 H1 GLY A -1 -8.031 -14.864 -9.870 1.00 0.00 H new ATOM 0 H2 GLY A -1 -7.884 -14.529 -8.211 1.00 0.00 H new ATOM 0 H3 GLY A -1 -9.319 -15.204 -8.817 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -8.260 -12.527 -9.477 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -9.741 -13.225 -10.102 1.00 0.00 H new ATOM 8 N PRO A 0 -9.093 -11.956 -7.151 1.00 0.00 N ATOM 9 CA PRO A 0 -9.680 -11.414 -5.938 1.00 0.00 C ATOM 10 C PRO A 0 -10.596 -10.229 -6.254 1.00 0.00 C ATOM 11 O PRO A 0 -11.045 -10.073 -7.389 1.00 0.00 O ATOM 12 CB PRO A 0 -8.497 -11.033 -5.064 1.00 0.00 C ATOM 13 CG PRO A 0 -7.301 -10.943 -5.998 1.00 0.00 C ATOM 14 CD PRO A 0 -7.687 -11.597 -7.314 1.00 0.00 C ATOM 0 HA PRO A 0 -10.322 -12.130 -5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -8.673 -10.082 -4.562 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.330 -11.778 -4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -7.019 -9.902 -6.157 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.437 -11.444 -5.561 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.547 -10.914 -8.152 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -7.074 -12.476 -7.514 1.00 0.00 H new ATOM 22 N MET A 1 -10.845 -9.425 -5.231 1.00 0.00 N ATOM 23 CA MET A 1 -11.699 -8.260 -5.386 1.00 0.00 C ATOM 24 C MET A 1 -11.085 -7.257 -6.364 1.00 0.00 C ATOM 25 O MET A 1 -11.802 -6.602 -7.119 1.00 0.00 O ATOM 26 CB MET A 1 -11.899 -7.589 -4.025 1.00 0.00 C ATOM 27 CG MET A 1 -12.900 -8.370 -3.171 1.00 0.00 C ATOM 28 SD MET A 1 -14.565 -7.861 -3.563 1.00 0.00 S ATOM 29 CE MET A 1 -14.804 -6.599 -2.324 1.00 0.00 C ATOM 0 H MET A 1 -10.470 -9.557 -4.292 1.00 0.00 H new ATOM 0 HA MET A 1 -12.659 -8.587 -5.785 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.944 -7.524 -3.504 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.255 -6.569 -4.167 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.786 -9.439 -3.349 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.699 -8.200 -2.113 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.802 -6.173 -2.427 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.697 -7.038 -1.332 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.059 -5.814 -2.455 1.00 0.00 H new ATOM 39 N GLU A 2 -9.764 -7.167 -6.319 1.00 0.00 N ATOM 40 CA GLU A 2 -9.046 -6.255 -7.192 1.00 0.00 C ATOM 41 C GLU A 2 -9.584 -4.831 -7.031 1.00 0.00 C ATOM 42 O GLU A 2 -10.708 -4.539 -7.437 1.00 0.00 O ATOM 43 CB GLU A 2 -9.129 -6.711 -8.650 1.00 0.00 C ATOM 44 CG GLU A 2 -8.247 -7.937 -8.893 1.00 0.00 C ATOM 45 CD GLU A 2 -8.943 -8.940 -9.815 1.00 0.00 C ATOM 46 OE1 GLU A 2 -10.181 -9.058 -9.693 1.00 0.00 O ATOM 47 OE2 GLU A 2 -8.221 -9.565 -10.621 1.00 0.00 O ATOM 0 H GLU A 2 -9.172 -7.711 -5.691 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.995 -6.260 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.163 -6.947 -8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.818 -5.899 -9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.301 -7.626 -9.336 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.012 -8.415 -7.942 1.00 0.00 H new ATOM 54 N PHE A 3 -8.756 -3.984 -6.438 1.00 0.00 N ATOM 55 CA PHE A 3 -9.135 -2.598 -6.218 1.00 0.00 C ATOM 56 C PHE A 3 -8.342 -1.661 -7.131 1.00 0.00 C ATOM 57 O PHE A 3 -7.117 -1.748 -7.202 1.00 0.00 O ATOM 58 CB PHE A 3 -8.806 -2.270 -4.761 1.00 0.00 C ATOM 59 CG PHE A 3 -9.553 -3.136 -3.744 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.155 -4.417 -3.519 1.00 0.00 C ATOM 61 CD2 PHE A 3 -10.614 -2.624 -3.064 1.00 0.00 C ATOM 62 CE1 PHE A 3 -9.848 -5.220 -2.576 1.00 0.00 C ATOM 63 CE2 PHE A 3 -11.307 -3.427 -2.121 1.00 0.00 C ATOM 64 CZ PHE A 3 -10.909 -4.708 -1.896 1.00 0.00 C ATOM 0 H PHE A 3 -7.825 -4.230 -6.103 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.194 -2.463 -6.436 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.734 -2.389 -4.606 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.041 -1.222 -4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -8.312 -4.823 -4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -10.929 -1.606 -3.242 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.533 -6.238 -2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.150 -3.021 -1.582 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.435 -5.319 -1.177 1.00 0.00 H new ATOM 74 N THR A 4 -9.073 -0.788 -7.808 1.00 0.00 N ATOM 75 CA THR A 4 -8.453 0.164 -8.714 1.00 0.00 C ATOM 76 C THR A 4 -7.968 1.394 -7.945 1.00 0.00 C ATOM 77 O THR A 4 -8.389 1.629 -6.813 1.00 0.00 O ATOM 78 CB THR A 4 -9.462 0.495 -9.815 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.484 1.224 -9.142 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.179 -0.748 -10.346 1.00 0.00 C ATOM 0 H THR A 4 -10.089 -0.720 -7.747 1.00 0.00 H new ATOM 0 HA THR A 4 -7.564 -0.258 -9.184 1.00 0.00 H new ATOM 0 HB THR A 4 -8.951 0.997 -10.636 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.179 1.480 -9.783 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.884 -0.457 -11.125 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.447 -1.441 -10.760 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.718 -1.233 -9.532 1.00 0.00 H new ATOM 88 N ALA A 5 -7.088 2.147 -8.589 1.00 0.00 N ATOM 89 CA ALA A 5 -6.542 3.348 -7.980 1.00 0.00 C ATOM 90 C ALA A 5 -7.689 4.255 -7.531 1.00 0.00 C ATOM 91 O ALA A 5 -7.543 5.022 -6.581 1.00 0.00 O ATOM 92 CB ALA A 5 -5.603 4.041 -8.970 1.00 0.00 C ATOM 0 H ALA A 5 -6.740 1.948 -9.527 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.956 3.097 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.193 4.942 -8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.789 3.365 -9.233 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.157 4.310 -9.870 1.00 0.00 H new ATOM 98 N GLU A 6 -8.805 4.136 -8.235 1.00 0.00 N ATOM 99 CA GLU A 6 -9.977 4.935 -7.921 1.00 0.00 C ATOM 100 C GLU A 6 -10.609 4.459 -6.611 1.00 0.00 C ATOM 101 O GLU A 6 -10.919 5.267 -5.737 1.00 0.00 O ATOM 102 CB GLU A 6 -10.991 4.895 -9.066 1.00 0.00 C ATOM 103 CG GLU A 6 -10.596 5.864 -10.182 1.00 0.00 C ATOM 104 CD GLU A 6 -9.395 5.334 -10.968 1.00 0.00 C ATOM 105 OE1 GLU A 6 -9.425 4.132 -11.309 1.00 0.00 O ATOM 106 OE2 GLU A 6 -8.473 6.143 -11.209 1.00 0.00 O ATOM 0 H GLU A 6 -8.922 3.498 -9.022 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.663 5.971 -7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.055 3.882 -9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.981 5.153 -8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.440 6.012 -10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.355 6.837 -9.755 1.00 0.00 H new ATOM 113 N GLN A 7 -10.781 3.149 -6.517 1.00 0.00 N ATOM 114 CA GLN A 7 -11.371 2.555 -5.329 1.00 0.00 C ATOM 115 C GLN A 7 -10.378 2.597 -4.166 1.00 0.00 C ATOM 116 O GLN A 7 -10.753 2.903 -3.035 1.00 0.00 O ATOM 117 CB GLN A 7 -11.833 1.122 -5.604 1.00 0.00 C ATOM 118 CG GLN A 7 -13.356 1.053 -5.735 1.00 0.00 C ATOM 119 CD GLN A 7 -13.782 1.094 -7.204 1.00 0.00 C ATOM 120 OE1 GLN A 7 -14.086 0.084 -7.817 1.00 0.00 O ATOM 121 NE2 GLN A 7 -13.788 2.315 -7.732 1.00 0.00 N ATOM 0 H GLN A 7 -10.522 2.482 -7.244 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.249 3.138 -5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.369 0.756 -6.520 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -11.504 0.469 -4.796 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.723 0.137 -5.271 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.809 1.886 -5.198 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.522 3.118 -7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.059 2.448 -8.706 1.00 0.00 H new ATOM 130 N LEU A 8 -9.130 2.286 -4.483 1.00 0.00 N ATOM 131 CA LEU A 8 -8.080 2.284 -3.479 1.00 0.00 C ATOM 132 C LEU A 8 -7.847 3.715 -2.989 1.00 0.00 C ATOM 133 O LEU A 8 -7.364 3.923 -1.877 1.00 0.00 O ATOM 134 CB LEU A 8 -6.820 1.607 -4.021 1.00 0.00 C ATOM 135 CG LEU A 8 -5.593 1.643 -3.108 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.550 0.413 -2.199 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.307 1.798 -3.923 1.00 0.00 C ATOM 0 H LEU A 8 -8.822 2.033 -5.422 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.382 1.695 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.056 0.565 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.557 2.078 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.673 2.518 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.668 0.463 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.446 0.387 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.505 -0.489 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.450 1.821 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.207 0.957 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.346 2.727 -4.492 1.00 0.00 H new ATOM 149 N SER A 9 -8.200 4.664 -3.843 1.00 0.00 N ATOM 150 CA SER A 9 -8.036 6.069 -3.511 1.00 0.00 C ATOM 151 C SER A 9 -9.169 6.525 -2.590 1.00 0.00 C ATOM 152 O SER A 9 -9.155 7.651 -2.094 1.00 0.00 O ATOM 153 CB SER A 9 -7.998 6.932 -4.774 1.00 0.00 C ATOM 154 OG SER A 9 -6.704 6.950 -5.370 1.00 0.00 O ATOM 0 H SER A 9 -8.599 4.488 -4.765 1.00 0.00 H new ATOM 0 HA SER A 9 -7.085 6.189 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.723 6.553 -5.494 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.297 7.950 -4.526 1.00 0.00 H new ATOM 0 HG SER A 9 -6.596 6.162 -5.942 1.00 0.00 H new ATOM 160 N GLN A 10 -10.123 5.628 -2.389 1.00 0.00 N ATOM 161 CA GLN A 10 -11.261 5.924 -1.536 1.00 0.00 C ATOM 162 C GLN A 10 -11.290 4.971 -0.339 1.00 0.00 C ATOM 163 O GLN A 10 -12.358 4.669 0.192 1.00 0.00 O ATOM 164 CB GLN A 10 -12.570 5.855 -2.324 1.00 0.00 C ATOM 165 CG GLN A 10 -12.603 4.618 -3.224 1.00 0.00 C ATOM 166 CD GLN A 10 -13.841 4.627 -4.123 1.00 0.00 C ATOM 167 OE1 GLN A 10 -13.844 5.174 -5.213 1.00 0.00 O ATOM 168 NE2 GLN A 10 -14.889 3.991 -3.607 1.00 0.00 N ATOM 0 H GLN A 10 -10.131 4.696 -2.802 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.154 6.942 -1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.413 5.830 -1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.681 6.754 -2.931 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.703 4.587 -3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.601 3.717 -2.610 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.819 3.554 -2.688 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.763 3.940 -4.130 1.00 0.00 H new ATOM 177 N TYR A 11 -10.105 4.523 0.049 1.00 0.00 N ATOM 178 CA TYR A 11 -9.982 3.609 1.172 1.00 0.00 C ATOM 179 C TYR A 11 -8.696 3.876 1.957 1.00 0.00 C ATOM 180 O TYR A 11 -7.883 2.973 2.149 1.00 0.00 O ATOM 181 CB TYR A 11 -9.915 2.205 0.569 1.00 0.00 C ATOM 182 CG TYR A 11 -11.205 1.765 -0.127 1.00 0.00 C ATOM 183 CD1 TYR A 11 -12.421 1.935 0.502 1.00 0.00 C ATOM 184 CD2 TYR A 11 -11.152 1.198 -1.384 1.00 0.00 C ATOM 185 CE1 TYR A 11 -13.635 1.521 -0.153 1.00 0.00 C ATOM 186 CE2 TYR A 11 -12.365 0.784 -2.039 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.547 0.966 -1.391 1.00 0.00 C ATOM 188 OH TYR A 11 -14.693 0.575 -2.010 1.00 0.00 O ATOM 0 H TYR A 11 -9.222 4.776 -0.394 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.821 3.729 1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.096 2.168 -0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.679 1.492 1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.463 2.379 1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.200 1.065 -1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.593 1.649 0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -12.337 0.339 -3.023 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.478 0.197 -2.888 1.00 0.00 H new ATOM 198 N ASN A 12 -8.551 5.120 2.388 1.00 0.00 N ATOM 199 CA ASN A 12 -7.377 5.517 3.148 1.00 0.00 C ATOM 200 C ASN A 12 -7.794 5.867 4.577 1.00 0.00 C ATOM 201 O ASN A 12 -7.042 6.511 5.307 1.00 0.00 O ATOM 202 CB ASN A 12 -6.715 6.752 2.533 1.00 0.00 C ATOM 203 CG ASN A 12 -7.546 8.009 2.797 1.00 0.00 C ATOM 204 OD1 ASN A 12 -7.826 8.373 3.927 1.00 0.00 O ATOM 205 ND2 ASN A 12 -7.924 8.649 1.694 1.00 0.00 N ATOM 0 H ASN A 12 -9.227 5.867 2.226 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.672 4.686 3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.716 6.878 2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.597 6.609 1.459 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.483 9.499 1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -7.655 8.290 0.778 1.00 0.00 H new ATOM 212 N GLY A 13 -8.992 5.428 4.935 1.00 0.00 N ATOM 213 CA GLY A 13 -9.518 5.687 6.264 1.00 0.00 C ATOM 214 C GLY A 13 -9.780 7.180 6.469 1.00 0.00 C ATOM 215 O GLY A 13 -8.859 7.940 6.766 1.00 0.00 O ATOM 0 H GLY A 13 -9.613 4.894 4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.443 5.129 6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.811 5.332 7.014 1.00 0.00 H new ATOM 219 N THR A 14 -11.039 7.556 6.303 1.00 0.00 N ATOM 220 CA THR A 14 -11.433 8.945 6.466 1.00 0.00 C ATOM 221 C THR A 14 -12.947 9.094 6.296 1.00 0.00 C ATOM 222 O THR A 14 -13.613 9.697 7.135 1.00 0.00 O ATOM 223 CB THR A 14 -10.625 9.785 5.475 1.00 0.00 C ATOM 224 OG1 THR A 14 -10.326 10.978 6.194 1.00 0.00 O ATOM 225 CG2 THR A 14 -11.467 10.266 4.291 1.00 0.00 C ATOM 0 H THR A 14 -11.800 6.923 6.057 1.00 0.00 H new ATOM 0 HA THR A 14 -11.214 9.303 7.472 1.00 0.00 H new ATOM 0 HB THR A 14 -9.782 9.200 5.107 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.802 11.580 5.626 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.845 10.857 3.619 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.865 9.405 3.754 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.291 10.879 4.656 1.00 0.00 H new ATOM 233 N ASP A 15 -13.445 8.533 5.203 1.00 0.00 N ATOM 234 CA ASP A 15 -14.867 8.596 4.912 1.00 0.00 C ATOM 235 C ASP A 15 -15.649 7.988 6.079 1.00 0.00 C ATOM 236 O ASP A 15 -15.079 7.699 7.130 1.00 0.00 O ATOM 237 CB ASP A 15 -15.207 7.800 3.651 1.00 0.00 C ATOM 238 CG ASP A 15 -15.745 8.633 2.486 1.00 0.00 C ATOM 239 OD1 ASP A 15 -14.940 9.403 1.920 1.00 0.00 O ATOM 240 OD2 ASP A 15 -16.949 8.481 2.188 1.00 0.00 O ATOM 0 H ASP A 15 -12.889 8.033 4.509 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.134 9.642 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.312 7.274 3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.946 7.041 3.907 1.00 0.00 H new ATOM 245 N GLU A 16 -16.943 7.813 5.855 1.00 0.00 N ATOM 246 CA GLU A 16 -17.809 7.246 6.875 1.00 0.00 C ATOM 247 C GLU A 16 -17.143 6.029 7.520 1.00 0.00 C ATOM 248 O GLU A 16 -16.446 6.159 8.525 1.00 0.00 O ATOM 249 CB GLU A 16 -19.175 6.878 6.291 1.00 0.00 C ATOM 250 CG GLU A 16 -19.978 8.133 5.943 1.00 0.00 C ATOM 251 CD GLU A 16 -21.416 8.023 6.456 1.00 0.00 C ATOM 252 OE1 GLU A 16 -22.192 7.283 5.814 1.00 0.00 O ATOM 253 OE2 GLU A 16 -21.706 8.682 7.477 1.00 0.00 O ATOM 0 H GLU A 16 -17.413 8.054 4.982 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.971 7.999 7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.040 6.269 5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.730 6.274 7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.498 9.009 6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.983 8.278 4.863 1.00 0.00 H new ATOM 260 N SER A 17 -17.381 4.874 6.916 1.00 0.00 N ATOM 261 CA SER A 17 -16.812 3.636 7.419 1.00 0.00 C ATOM 262 C SER A 17 -15.963 2.971 6.334 1.00 0.00 C ATOM 263 O SER A 17 -15.675 1.777 6.410 1.00 0.00 O ATOM 264 CB SER A 17 -17.908 2.680 7.895 1.00 0.00 C ATOM 265 OG SER A 17 -18.070 2.717 9.311 1.00 0.00 O ATOM 0 H SER A 17 -17.960 4.770 6.083 1.00 0.00 H new ATOM 0 HA SER A 17 -16.178 3.873 8.273 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.851 2.942 7.415 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.663 1.664 7.584 1.00 0.00 H new ATOM 0 HG SER A 17 -18.779 2.095 9.575 1.00 0.00 H new ATOM 271 N LYS A 18 -15.586 3.772 5.348 1.00 0.00 N ATOM 272 CA LYS A 18 -14.776 3.276 4.249 1.00 0.00 C ATOM 273 C LYS A 18 -13.592 2.485 4.809 1.00 0.00 C ATOM 274 O LYS A 18 -12.949 2.918 5.764 1.00 0.00 O ATOM 275 CB LYS A 18 -14.366 4.424 3.324 1.00 0.00 C ATOM 276 CG LYS A 18 -14.973 4.249 1.931 1.00 0.00 C ATOM 277 CD LYS A 18 -16.499 4.167 2.003 1.00 0.00 C ATOM 278 CE LYS A 18 -17.052 3.259 0.903 1.00 0.00 C ATOM 279 NZ LYS A 18 -17.803 4.053 -0.095 1.00 0.00 N ATOM 0 H LYS A 18 -15.827 4.761 5.288 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.354 2.590 3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.692 5.373 3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.279 4.465 3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.680 5.085 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.578 3.344 1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.801 3.787 2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.925 5.165 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.234 2.730 0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.704 2.503 1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.172 3.422 -0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.595 4.538 0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.171 4.758 -0.525 1.00 0.00 H new ATOM 293 N PRO A 19 -13.334 1.310 4.176 1.00 0.00 N ATOM 294 CA PRO A 19 -12.238 0.456 4.601 1.00 0.00 C ATOM 295 C PRO A 19 -10.891 1.030 4.159 1.00 0.00 C ATOM 296 O PRO A 19 -10.821 1.781 3.187 1.00 0.00 O ATOM 297 CB PRO A 19 -12.536 -0.901 3.985 1.00 0.00 C ATOM 298 CG PRO A 19 -13.529 -0.641 2.864 1.00 0.00 C ATOM 299 CD PRO A 19 -14.074 0.766 3.041 1.00 0.00 C ATOM 0 HA PRO A 19 -12.161 0.379 5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.627 -1.364 3.602 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.953 -1.583 4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.044 -0.743 1.893 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.338 -1.370 2.894 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.920 1.366 2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.146 0.754 3.237 1.00 0.00 H new ATOM 307 N ILE A 20 -9.854 0.656 4.894 1.00 0.00 N ATOM 308 CA ILE A 20 -8.513 1.124 4.591 1.00 0.00 C ATOM 309 C ILE A 20 -7.774 0.055 3.784 1.00 0.00 C ATOM 310 O ILE A 20 -7.558 -1.055 4.269 1.00 0.00 O ATOM 311 CB ILE A 20 -7.787 1.539 5.872 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.704 2.361 6.780 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.486 2.277 5.551 1.00 0.00 C ATOM 314 CD1 ILE A 20 -9.014 1.607 8.075 1.00 0.00 C ATOM 0 H ILE A 20 -9.916 0.033 5.700 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.554 2.020 3.971 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.517 0.636 6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.230 3.314 7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.632 2.587 6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.990 2.561 6.479 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.831 1.625 4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.709 3.172 4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.667 2.214 8.702 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.510 0.666 7.838 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.086 1.404 8.609 1.00 0.00 H new ATOM 326 N TYR A 21 -7.407 0.426 2.566 1.00 0.00 N ATOM 327 CA TYR A 21 -6.697 -0.488 1.687 1.00 0.00 C ATOM 328 C TYR A 21 -5.450 0.175 1.099 1.00 0.00 C ATOM 329 O TYR A 21 -5.523 1.281 0.566 1.00 0.00 O ATOM 330 CB TYR A 21 -7.667 -0.820 0.551 1.00 0.00 C ATOM 331 CG TYR A 21 -8.836 -1.712 0.972 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.610 -2.816 1.769 1.00 0.00 C ATOM 333 CD2 TYR A 21 -10.118 -1.412 0.556 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.711 -3.655 2.165 1.00 0.00 C ATOM 335 CE2 TYR A 21 -11.219 -2.251 0.952 1.00 0.00 C ATOM 336 CZ TYR A 21 -10.961 -3.332 1.737 1.00 0.00 C ATOM 337 OH TYR A 21 -12.001 -4.124 2.111 1.00 0.00 O ATOM 0 H TYR A 21 -7.588 1.347 2.167 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.375 -1.374 2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.062 0.109 0.141 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.117 -1.314 -0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.608 -3.050 2.095 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.295 -0.548 -0.067 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.548 -4.522 2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.226 -2.027 0.633 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.833 -3.771 1.733 1.00 0.00 H new ATOM 347 N VAL A 22 -4.333 -0.529 1.217 1.00 0.00 N ATOM 348 CA VAL A 22 -3.072 -0.023 0.704 1.00 0.00 C ATOM 349 C VAL A 22 -2.696 -0.793 -0.564 1.00 0.00 C ATOM 350 O VAL A 22 -3.375 -1.748 -0.939 1.00 0.00 O ATOM 351 CB VAL A 22 -1.997 -0.100 1.790 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.722 0.622 1.351 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.516 0.461 3.115 1.00 0.00 C ATOM 0 H VAL A 22 -4.276 -1.446 1.661 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.165 1.028 0.431 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.751 -1.151 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.026 0.552 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.336 0.158 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.947 1.671 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.733 0.395 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.803 1.504 2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.382 -0.115 3.440 1.00 0.00 H new ATOM 363 N ALA A 23 -1.617 -0.348 -1.190 1.00 0.00 N ATOM 364 CA ALA A 23 -1.143 -0.983 -2.408 1.00 0.00 C ATOM 365 C ALA A 23 0.370 -1.191 -2.315 1.00 0.00 C ATOM 366 O ALA A 23 1.082 -0.357 -1.757 1.00 0.00 O ATOM 367 CB ALA A 23 -1.541 -0.132 -3.616 1.00 0.00 C ATOM 0 H ALA A 23 -1.057 0.445 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.603 -1.963 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.185 -0.608 -4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.626 -0.039 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.095 0.859 -3.526 1.00 0.00 H new ATOM 373 N ILE A 24 0.817 -2.309 -2.868 1.00 0.00 N ATOM 374 CA ILE A 24 2.232 -2.637 -2.854 1.00 0.00 C ATOM 375 C ILE A 24 2.581 -3.427 -4.117 1.00 0.00 C ATOM 376 O ILE A 24 2.142 -4.564 -4.284 1.00 0.00 O ATOM 377 CB ILE A 24 2.602 -3.358 -1.556 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.959 -2.358 -0.455 1.00 0.00 C ATOM 379 CG2 ILE A 24 3.722 -4.374 -1.793 1.00 0.00 C ATOM 380 CD1 ILE A 24 3.467 -3.077 0.796 1.00 0.00 C ATOM 0 H ILE A 24 0.224 -2.999 -3.329 1.00 0.00 H new ATOM 0 HA ILE A 24 2.834 -1.728 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 24 1.729 -3.914 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.722 -1.669 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.083 -1.760 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.966 -4.872 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.393 -5.114 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.606 -3.860 -2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.714 -2.343 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.693 -3.747 1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.357 -3.655 0.547 1.00 0.00 H new ATOM 392 N LYS A 25 3.367 -2.793 -4.975 1.00 0.00 N ATOM 393 CA LYS A 25 3.779 -3.422 -6.218 1.00 0.00 C ATOM 394 C LYS A 25 2.540 -3.761 -7.049 1.00 0.00 C ATOM 395 O LYS A 25 2.609 -4.572 -7.971 1.00 0.00 O ATOM 396 CB LYS A 25 4.679 -4.626 -5.936 1.00 0.00 C ATOM 397 CG LYS A 25 5.791 -4.261 -4.951 1.00 0.00 C ATOM 398 CD LYS A 25 5.917 -5.317 -3.851 1.00 0.00 C ATOM 399 CE LYS A 25 6.566 -6.594 -4.388 1.00 0.00 C ATOM 400 NZ LYS A 25 7.586 -6.267 -5.410 1.00 0.00 N ATOM 0 H LYS A 25 3.729 -1.850 -4.834 1.00 0.00 H new ATOM 0 HA LYS A 25 4.382 -2.734 -6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.083 -5.443 -5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.117 -4.983 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.738 -4.170 -5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.582 -3.289 -4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.512 -4.921 -3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.931 -5.548 -3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.027 -7.147 -3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.804 -7.242 -4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.087 -7.134 -5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.122 -5.851 -6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.266 -5.586 -5.016 1.00 0.00 H new ATOM 414 N GLY A 26 1.435 -3.123 -6.692 1.00 0.00 N ATOM 415 CA GLY A 26 0.182 -3.347 -7.393 1.00 0.00 C ATOM 416 C GLY A 26 -0.690 -4.360 -6.647 1.00 0.00 C ATOM 417 O GLY A 26 -1.640 -4.901 -7.211 1.00 0.00 O ATOM 0 H GLY A 26 1.381 -2.451 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.356 -2.404 -7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.385 -3.709 -8.401 1.00 0.00 H new ATOM 421 N ARG A 27 -0.337 -4.584 -5.390 1.00 0.00 N ATOM 422 CA ARG A 27 -1.075 -5.522 -4.561 1.00 0.00 C ATOM 423 C ARG A 27 -1.814 -4.778 -3.447 1.00 0.00 C ATOM 424 O ARG A 27 -1.209 -4.010 -2.701 1.00 0.00 O ATOM 425 CB ARG A 27 -0.140 -6.561 -3.938 1.00 0.00 C ATOM 426 CG ARG A 27 -0.903 -7.837 -3.575 1.00 0.00 C ATOM 427 CD ARG A 27 -0.047 -8.758 -2.704 1.00 0.00 C ATOM 428 NE ARG A 27 0.141 -10.062 -3.379 1.00 0.00 N ATOM 429 CZ ARG A 27 0.738 -11.121 -2.815 1.00 0.00 C ATOM 430 NH1 ARG A 27 1.209 -11.036 -1.564 1.00 0.00 N ATOM 431 NH2 ARG A 27 0.864 -12.264 -3.503 1.00 0.00 N ATOM 0 H ARG A 27 0.450 -4.132 -4.925 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.794 -6.034 -5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.662 -6.799 -4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.327 -6.146 -3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.820 -7.579 -3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.197 -8.361 -4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.921 -8.295 -2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.526 -8.906 -1.736 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.206 -10.161 -4.333 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.113 -10.166 -1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.663 -11.842 -1.134 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.506 -12.328 -4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.318 -13.070 -3.074 1.00 0.00 H new ATOM 445 N VAL A 28 -3.112 -5.031 -3.371 1.00 0.00 N ATOM 446 CA VAL A 28 -3.940 -4.395 -2.361 1.00 0.00 C ATOM 447 C VAL A 28 -3.835 -5.180 -1.052 1.00 0.00 C ATOM 448 O VAL A 28 -4.143 -6.370 -1.011 1.00 0.00 O ATOM 449 CB VAL A 28 -5.379 -4.267 -2.867 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.292 -3.690 -1.784 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.438 -3.424 -4.142 1.00 0.00 C ATOM 0 H VAL A 28 -3.611 -5.668 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.588 -3.383 -2.162 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.739 -5.267 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.308 -3.610 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.285 -4.347 -0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.934 -2.702 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.471 -3.349 -4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.050 -2.426 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.835 -3.896 -4.918 1.00 0.00 H new ATOM 461 N PHE A 29 -3.398 -4.482 -0.014 1.00 0.00 N ATOM 462 CA PHE A 29 -3.248 -5.100 1.293 1.00 0.00 C ATOM 463 C PHE A 29 -4.171 -4.441 2.320 1.00 0.00 C ATOM 464 O PHE A 29 -4.527 -3.272 2.180 1.00 0.00 O ATOM 465 CB PHE A 29 -1.795 -4.889 1.723 1.00 0.00 C ATOM 466 CG PHE A 29 -0.800 -5.827 1.036 1.00 0.00 C ATOM 467 CD1 PHE A 29 -0.853 -7.165 1.272 1.00 0.00 C ATOM 468 CD2 PHE A 29 0.137 -5.323 0.189 1.00 0.00 C ATOM 469 CE1 PHE A 29 0.069 -8.036 0.635 1.00 0.00 C ATOM 470 CE2 PHE A 29 1.060 -6.194 -0.448 1.00 0.00 C ATOM 471 CZ PHE A 29 1.006 -7.532 -0.212 1.00 0.00 C ATOM 0 H PHE A 29 -3.143 -3.495 -0.051 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.507 -6.157 1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.511 -3.858 1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.723 -5.026 2.802 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.597 -7.565 1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.179 -4.260 0.001 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.026 -9.099 0.823 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.805 -5.794 -1.120 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.707 -8.195 -0.697 1.00 0.00 H new ATOM 481 N ASP A 30 -4.534 -5.220 3.328 1.00 0.00 N ATOM 482 CA ASP A 30 -5.409 -4.728 4.378 1.00 0.00 C ATOM 483 C ASP A 30 -4.568 -4.330 5.593 1.00 0.00 C ATOM 484 O ASP A 30 -3.764 -5.123 6.081 1.00 0.00 O ATOM 485 CB ASP A 30 -6.399 -5.806 4.821 1.00 0.00 C ATOM 486 CG ASP A 30 -6.890 -5.681 6.265 1.00 0.00 C ATOM 487 OD1 ASP A 30 -6.017 -5.559 7.152 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.126 -5.709 6.449 1.00 0.00 O ATOM 0 H ASP A 30 -4.238 -6.190 3.440 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.959 -3.873 3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.262 -5.780 4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.930 -6.782 4.696 1.00 0.00 H new ATOM 493 N VAL A 31 -4.783 -3.104 6.046 1.00 0.00 N ATOM 494 CA VAL A 31 -4.055 -2.592 7.194 1.00 0.00 C ATOM 495 C VAL A 31 -5.045 -1.996 8.196 1.00 0.00 C ATOM 496 O VAL A 31 -4.642 -1.418 9.204 1.00 0.00 O ATOM 497 CB VAL A 31 -2.992 -1.591 6.736 1.00 0.00 C ATOM 498 CG1 VAL A 31 -2.129 -2.180 5.619 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.634 -0.273 6.297 1.00 0.00 C ATOM 0 H VAL A 31 -5.451 -2.450 5.639 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.525 -3.399 7.701 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.342 -1.380 7.585 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.382 -1.448 5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.629 -3.079 5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.760 -2.434 4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.857 0.421 5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.318 -0.460 5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.185 0.160 7.132 1.00 0.00 H new ATOM 509 N THR A 32 -6.323 -2.158 7.885 1.00 0.00 N ATOM 510 CA THR A 32 -7.374 -1.643 8.746 1.00 0.00 C ATOM 511 C THR A 32 -7.158 -2.108 10.187 1.00 0.00 C ATOM 512 O THR A 32 -7.613 -1.459 11.127 1.00 0.00 O ATOM 513 CB THR A 32 -8.719 -2.079 8.162 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.489 -2.449 9.302 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.614 -3.370 7.348 1.00 0.00 C ATOM 0 H THR A 32 -6.654 -2.639 7.049 1.00 0.00 H new ATOM 0 HA THR A 32 -7.357 -0.554 8.783 1.00 0.00 H new ATOM 0 HB THR A 32 -9.115 -1.284 7.531 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.378 -2.744 9.014 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.596 -3.634 6.957 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.921 -3.222 6.520 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.250 -4.174 7.987 1.00 0.00 H new ATOM 523 N THR A 33 -6.464 -3.229 10.316 1.00 0.00 N ATOM 524 CA THR A 33 -6.182 -3.789 11.627 1.00 0.00 C ATOM 525 C THR A 33 -5.457 -2.763 12.500 1.00 0.00 C ATOM 526 O THR A 33 -5.271 -2.981 13.696 1.00 0.00 O ATOM 527 CB THR A 33 -5.393 -5.084 11.429 1.00 0.00 C ATOM 528 OG1 THR A 33 -4.121 -4.648 10.959 1.00 0.00 O ATOM 529 CG2 THR A 33 -5.943 -5.935 10.281 1.00 0.00 C ATOM 0 H THR A 33 -6.088 -3.765 9.534 1.00 0.00 H new ATOM 0 HA THR A 33 -7.102 -4.031 12.160 1.00 0.00 H new ATOM 0 HB THR A 33 -5.410 -5.664 12.352 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.545 -5.426 10.806 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.347 -6.843 10.183 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.979 -6.202 10.490 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.895 -5.367 9.352 1.00 0.00 H new ATOM 537 N GLY A 34 -5.066 -1.666 11.868 1.00 0.00 N ATOM 538 CA GLY A 34 -4.364 -0.606 12.572 1.00 0.00 C ATOM 539 C GLY A 34 -4.581 0.744 11.886 1.00 0.00 C ATOM 540 O GLY A 34 -3.631 1.496 11.674 1.00 0.00 O ATOM 0 H GLY A 34 -5.222 -1.488 10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.715 -0.555 13.603 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.298 -0.832 12.609 1.00 0.00 H new ATOM 544 N LYS A 35 -5.837 1.011 11.558 1.00 0.00 N ATOM 545 CA LYS A 35 -6.190 2.257 10.901 1.00 0.00 C ATOM 546 C LYS A 35 -5.585 3.428 11.678 1.00 0.00 C ATOM 547 O LYS A 35 -5.365 4.501 11.119 1.00 0.00 O ATOM 548 CB LYS A 35 -7.706 2.357 10.720 1.00 0.00 C ATOM 549 CG LYS A 35 -8.345 3.143 11.867 1.00 0.00 C ATOM 550 CD LYS A 35 -9.864 3.213 11.705 1.00 0.00 C ATOM 551 CE LYS A 35 -10.331 4.658 11.523 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.710 4.694 10.987 1.00 0.00 N ATOM 0 H LYS A 35 -6.623 0.385 11.735 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.769 2.290 9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.931 2.844 9.771 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.137 1.357 10.675 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.099 2.670 12.818 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.932 4.151 11.896 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.169 2.618 10.844 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.347 2.779 12.580 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.292 5.182 12.478 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.657 5.181 10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.011 5.683 10.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.737 4.212 10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.352 4.213 11.648 1.00 0.00 H new ATOM 566 N SER A 36 -5.334 3.182 12.955 1.00 0.00 N ATOM 567 CA SER A 36 -4.759 4.203 13.815 1.00 0.00 C ATOM 568 C SER A 36 -3.424 4.679 13.240 1.00 0.00 C ATOM 569 O SER A 36 -2.937 5.750 13.599 1.00 0.00 O ATOM 570 CB SER A 36 -4.568 3.679 15.240 1.00 0.00 C ATOM 571 OG SER A 36 -5.371 4.385 16.181 1.00 0.00 O ATOM 0 H SER A 36 -5.518 2.291 13.415 1.00 0.00 H new ATOM 0 HA SER A 36 -5.450 5.045 13.857 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.819 2.619 15.273 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.519 3.767 15.521 1.00 0.00 H new ATOM 0 HG SER A 36 -5.222 4.019 17.078 1.00 0.00 H new ATOM 577 N PHE A 37 -2.869 3.860 12.358 1.00 0.00 N ATOM 578 CA PHE A 37 -1.600 4.185 11.731 1.00 0.00 C ATOM 579 C PHE A 37 -1.795 4.560 10.261 1.00 0.00 C ATOM 580 O PHE A 37 -1.212 5.531 9.781 1.00 0.00 O ATOM 581 CB PHE A 37 -0.727 2.931 11.813 1.00 0.00 C ATOM 582 CG PHE A 37 -0.344 2.532 13.240 1.00 0.00 C ATOM 583 CD1 PHE A 37 -1.300 2.099 14.105 1.00 0.00 C ATOM 584 CD2 PHE A 37 0.953 2.610 13.643 1.00 0.00 C ATOM 585 CE1 PHE A 37 -0.944 1.729 15.429 1.00 0.00 C ATOM 586 CE2 PHE A 37 1.309 2.240 14.967 1.00 0.00 C ATOM 587 CZ PHE A 37 0.353 1.807 15.832 1.00 0.00 C ATOM 0 H PHE A 37 -3.275 2.972 12.063 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.142 5.034 12.237 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.256 2.101 11.344 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.183 3.096 11.236 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.330 2.037 13.785 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.712 2.953 12.956 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.703 1.386 16.116 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.339 2.302 15.287 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.624 1.525 16.839 1.00 0.00 H new ATOM 597 N TYR A 38 -2.617 3.770 9.585 1.00 0.00 N ATOM 598 CA TYR A 38 -2.897 4.008 8.180 1.00 0.00 C ATOM 599 C TYR A 38 -4.110 4.924 8.009 1.00 0.00 C ATOM 600 O TYR A 38 -4.117 5.796 7.141 1.00 0.00 O ATOM 601 CB TYR A 38 -3.217 2.639 7.576 1.00 0.00 C ATOM 602 CG TYR A 38 -2.123 2.092 6.657 1.00 0.00 C ATOM 603 CD1 TYR A 38 -1.864 2.709 5.450 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.395 0.982 7.036 1.00 0.00 C ATOM 605 CE1 TYR A 38 -0.834 2.194 4.585 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.365 0.468 6.171 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.135 1.099 4.988 1.00 0.00 C ATOM 608 OH TYR A 38 0.837 0.613 4.171 1.00 0.00 O ATOM 0 H TYR A 38 -3.098 2.964 9.985 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.048 4.490 7.696 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.387 1.928 8.384 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.148 2.710 7.013 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.433 3.578 5.154 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.598 0.499 7.981 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.621 2.667 3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.212 -0.399 6.455 1.00 0.00 H new ATOM 0 HH TYR A 38 1.032 -0.317 4.412 1.00 0.00 H new ATOM 618 N GLY A 39 -5.108 4.695 8.850 1.00 0.00 N ATOM 619 CA GLY A 39 -6.324 5.488 8.803 1.00 0.00 C ATOM 620 C GLY A 39 -6.001 6.983 8.743 1.00 0.00 C ATOM 621 O GLY A 39 -4.836 7.372 8.796 1.00 0.00 O ATOM 0 H GLY A 39 -5.099 3.971 9.568 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.914 5.204 7.932 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.933 5.279 9.682 1.00 0.00 H new ATOM 625 N SER A 40 -7.055 7.779 8.634 1.00 0.00 N ATOM 626 CA SER A 40 -6.898 9.222 8.566 1.00 0.00 C ATOM 627 C SER A 40 -5.765 9.669 9.491 1.00 0.00 C ATOM 628 O SER A 40 -5.694 9.244 10.643 1.00 0.00 O ATOM 629 CB SER A 40 -8.200 9.935 8.938 1.00 0.00 C ATOM 630 OG SER A 40 -8.269 10.228 10.331 1.00 0.00 O ATOM 0 H SER A 40 -8.020 7.452 8.591 1.00 0.00 H new ATOM 0 HA SER A 40 -6.648 9.491 7.540 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.282 10.861 8.368 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.048 9.311 8.656 1.00 0.00 H new ATOM 0 HG SER A 40 -9.114 10.684 10.528 1.00 0.00 H new ATOM 636 N GLY A 41 -4.906 10.522 8.952 1.00 0.00 N ATOM 637 CA GLY A 41 -3.778 11.032 9.714 1.00 0.00 C ATOM 638 C GLY A 41 -3.214 9.956 10.644 1.00 0.00 C ATOM 639 O GLY A 41 -3.617 9.857 11.802 1.00 0.00 O ATOM 0 H GLY A 41 -4.968 10.873 7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.999 11.374 9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.091 11.896 10.300 1.00 0.00 H new ATOM 643 N GLY A 42 -2.290 9.176 10.103 1.00 0.00 N ATOM 644 CA GLY A 42 -1.666 8.111 10.869 1.00 0.00 C ATOM 645 C GLY A 42 -0.264 7.804 10.341 1.00 0.00 C ATOM 646 O GLY A 42 0.181 8.405 9.364 1.00 0.00 O ATOM 0 H GLY A 42 -1.958 9.261 9.142 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.608 8.399 11.919 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.282 7.213 10.819 1.00 0.00 H new ATOM 650 N ASP A 43 0.395 6.870 11.011 1.00 0.00 N ATOM 651 CA ASP A 43 1.738 6.476 10.621 1.00 0.00 C ATOM 652 C ASP A 43 1.833 6.446 9.094 1.00 0.00 C ATOM 653 O ASP A 43 2.719 7.070 8.511 1.00 0.00 O ATOM 654 CB ASP A 43 2.076 5.078 11.144 1.00 0.00 C ATOM 655 CG ASP A 43 3.389 4.979 11.923 1.00 0.00 C ATOM 656 OD1 ASP A 43 4.445 5.167 11.282 1.00 0.00 O ATOM 657 OD2 ASP A 43 3.306 4.718 13.143 1.00 0.00 O ATOM 0 H ASP A 43 0.024 6.375 11.822 1.00 0.00 H new ATOM 0 HA ASP A 43 2.437 7.198 11.044 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.263 4.741 11.787 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.120 4.391 10.299 1.00 0.00 H new ATOM 662 N TYR A 44 0.909 5.713 8.490 1.00 0.00 N ATOM 663 CA TYR A 44 0.878 5.594 7.042 1.00 0.00 C ATOM 664 C TYR A 44 -0.229 6.464 6.444 1.00 0.00 C ATOM 665 O TYR A 44 -1.130 5.957 5.777 1.00 0.00 O ATOM 666 CB TYR A 44 0.570 4.124 6.747 1.00 0.00 C ATOM 667 CG TYR A 44 1.159 3.148 7.768 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.527 3.015 7.887 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.320 2.401 8.571 1.00 0.00 C ATOM 670 CE1 TYR A 44 3.081 2.096 8.848 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.874 1.482 9.532 1.00 0.00 C ATOM 672 CZ TYR A 44 2.227 1.375 9.623 1.00 0.00 C ATOM 673 OH TYR A 44 2.750 0.508 10.530 1.00 0.00 O ATOM 0 H TYR A 44 0.177 5.196 8.977 1.00 0.00 H new ATOM 0 HA TYR A 44 1.825 5.918 6.610 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.511 3.990 6.713 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.954 3.874 5.758 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.183 3.600 7.259 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.751 2.506 8.479 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.150 1.982 8.951 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.230 0.891 10.166 1.00 0.00 H new ATOM 0 HH TYR A 44 2.023 0.063 11.014 1.00 0.00 H new ATOM 683 N SER A 45 -0.125 7.759 6.704 1.00 0.00 N ATOM 684 CA SER A 45 -1.106 8.705 6.200 1.00 0.00 C ATOM 685 C SER A 45 -0.895 8.929 4.701 1.00 0.00 C ATOM 686 O SER A 45 -1.850 9.172 3.965 1.00 0.00 O ATOM 687 CB SER A 45 -1.026 10.035 6.951 1.00 0.00 C ATOM 688 OG SER A 45 -2.308 10.636 7.111 1.00 0.00 O ATOM 0 H SER A 45 0.624 8.175 7.257 1.00 0.00 H new ATOM 0 HA SER A 45 -2.099 8.286 6.363 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.577 9.872 7.931 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.371 10.718 6.410 1.00 0.00 H new ATOM 0 HG SER A 45 -2.213 11.611 7.120 1.00 0.00 H new ATOM 694 N MET A 46 0.363 8.838 4.293 1.00 0.00 N ATOM 695 CA MET A 46 0.711 9.027 2.895 1.00 0.00 C ATOM 696 C MET A 46 0.481 7.744 2.094 1.00 0.00 C ATOM 697 O MET A 46 0.239 7.795 0.889 1.00 0.00 O ATOM 698 CB MET A 46 2.181 9.440 2.787 1.00 0.00 C ATOM 699 CG MET A 46 3.069 8.538 3.646 1.00 0.00 C ATOM 700 SD MET A 46 3.447 9.346 5.191 1.00 0.00 S ATOM 701 CE MET A 46 3.882 10.971 4.593 1.00 0.00 C ATOM 0 H MET A 46 1.153 8.636 4.906 1.00 0.00 H new ATOM 0 HA MET A 46 0.073 9.809 2.483 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.502 9.387 1.747 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.295 10.477 3.104 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.564 7.591 3.836 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.991 8.307 3.112 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.702 11.371 5.189 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.191 10.904 3.550 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.019 11.632 4.674 1.00 0.00 H new ATOM 711 N PHE A 47 0.566 6.623 2.795 1.00 0.00 N ATOM 712 CA PHE A 47 0.370 5.329 2.165 1.00 0.00 C ATOM 713 C PHE A 47 -1.119 4.998 2.044 1.00 0.00 C ATOM 714 O PHE A 47 -1.543 4.374 1.072 1.00 0.00 O ATOM 715 CB PHE A 47 1.041 4.288 3.062 1.00 0.00 C ATOM 716 CG PHE A 47 2.488 4.622 3.430 1.00 0.00 C ATOM 717 CD1 PHE A 47 3.151 5.601 2.758 1.00 0.00 C ATOM 718 CD2 PHE A 47 3.111 3.941 4.428 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.494 5.912 3.099 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.454 4.252 4.769 1.00 0.00 C ATOM 721 CZ PHE A 47 5.117 5.231 4.097 1.00 0.00 C ATOM 0 H PHE A 47 0.768 6.584 3.794 1.00 0.00 H new ATOM 0 HA PHE A 47 0.796 5.336 1.162 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.459 4.184 3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.019 3.322 2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.656 6.142 1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.585 3.163 4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.020 6.690 2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.949 3.711 5.562 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.138 5.467 4.356 1.00 0.00 H new ATOM 731 N ALA A 48 -1.872 5.430 3.045 1.00 0.00 N ATOM 732 CA ALA A 48 -3.304 5.187 3.063 1.00 0.00 C ATOM 733 C ALA A 48 -3.892 5.527 1.692 1.00 0.00 C ATOM 734 O ALA A 48 -3.680 6.624 1.177 1.00 0.00 O ATOM 735 CB ALA A 48 -3.945 5.998 4.190 1.00 0.00 C ATOM 0 H ALA A 48 -1.517 5.947 3.849 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.513 4.135 3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.020 5.816 4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.514 5.698 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.759 7.059 4.026 1.00 0.00 H new ATOM 741 N GLY A 49 -4.620 4.567 1.141 1.00 0.00 N ATOM 742 CA GLY A 49 -5.240 4.752 -0.160 1.00 0.00 C ATOM 743 C GLY A 49 -4.199 5.129 -1.216 1.00 0.00 C ATOM 744 O GLY A 49 -4.495 5.877 -2.146 1.00 0.00 O ATOM 0 H GLY A 49 -4.794 3.659 1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.749 3.835 -0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.999 5.532 -0.097 1.00 0.00 H new ATOM 748 N LYS A 50 -3.000 4.594 -1.036 1.00 0.00 N ATOM 749 CA LYS A 50 -1.913 4.866 -1.961 1.00 0.00 C ATOM 750 C LYS A 50 -0.884 3.737 -1.878 1.00 0.00 C ATOM 751 O LYS A 50 -0.749 3.090 -0.840 1.00 0.00 O ATOM 752 CB LYS A 50 -1.324 6.254 -1.703 1.00 0.00 C ATOM 753 CG LYS A 50 -2.378 7.344 -1.912 1.00 0.00 C ATOM 754 CD LYS A 50 -1.733 8.732 -1.939 1.00 0.00 C ATOM 755 CE LYS A 50 -1.816 9.347 -3.337 1.00 0.00 C ATOM 756 NZ LYS A 50 -2.006 10.812 -3.249 1.00 0.00 N ATOM 0 H LYS A 50 -2.758 3.974 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.282 4.887 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.939 6.306 -0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.481 6.425 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.909 7.167 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.117 7.298 -1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.232 9.383 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.690 8.658 -1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.905 9.125 -3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.643 8.900 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.060 11.213 -4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.888 11.018 -2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.204 11.236 -2.741 1.00 0.00 H new ATOM 770 N ASP A 51 -0.184 3.534 -2.985 1.00 0.00 N ATOM 771 CA ASP A 51 0.828 2.494 -3.050 1.00 0.00 C ATOM 772 C ASP A 51 2.167 3.061 -2.573 1.00 0.00 C ATOM 773 O ASP A 51 2.929 3.612 -3.366 1.00 0.00 O ATOM 774 CB ASP A 51 1.011 1.992 -4.484 1.00 0.00 C ATOM 775 CG ASP A 51 2.041 0.874 -4.651 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.848 0.700 -3.712 1.00 0.00 O ATOM 777 OD2 ASP A 51 2.000 0.218 -5.714 1.00 0.00 O ATOM 0 H ASP A 51 -0.298 4.072 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 51 0.504 1.668 -2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.049 1.638 -4.854 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.304 2.833 -5.113 1.00 0.00 H new ATOM 782 N ALA A 52 2.412 2.905 -1.281 1.00 0.00 N ATOM 783 CA ALA A 52 3.646 3.395 -0.689 1.00 0.00 C ATOM 784 C ALA A 52 4.744 2.345 -0.868 1.00 0.00 C ATOM 785 O ALA A 52 5.415 1.973 0.093 1.00 0.00 O ATOM 786 CB ALA A 52 3.405 3.741 0.782 1.00 0.00 C ATOM 0 H ALA A 52 1.778 2.446 -0.627 1.00 0.00 H new ATOM 0 HA ALA A 52 3.976 4.306 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.330 4.108 1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.637 4.512 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.075 2.850 1.316 1.00 0.00 H new ATOM 792 N SER A 53 4.895 1.898 -2.106 1.00 0.00 N ATOM 793 CA SER A 53 5.900 0.899 -2.424 1.00 0.00 C ATOM 794 C SER A 53 7.289 1.540 -2.442 1.00 0.00 C ATOM 795 O SER A 53 8.227 1.015 -1.844 1.00 0.00 O ATOM 796 CB SER A 53 5.607 0.230 -3.769 1.00 0.00 C ATOM 797 OG SER A 53 5.295 1.183 -4.782 1.00 0.00 O ATOM 0 H SER A 53 4.337 2.210 -2.901 1.00 0.00 H new ATOM 0 HA SER A 53 5.872 0.130 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.472 -0.358 -4.078 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.774 -0.464 -3.655 1.00 0.00 H new ATOM 0 HG SER A 53 4.362 1.468 -4.687 1.00 0.00 H new ATOM 803 N ARG A 54 7.376 2.667 -3.133 1.00 0.00 N ATOM 804 CA ARG A 54 8.635 3.387 -3.236 1.00 0.00 C ATOM 805 C ARG A 54 9.038 3.950 -1.872 1.00 0.00 C ATOM 806 O ARG A 54 10.176 3.779 -1.437 1.00 0.00 O ATOM 807 CB ARG A 54 8.532 4.534 -4.243 1.00 0.00 C ATOM 808 CG ARG A 54 7.606 4.164 -5.403 1.00 0.00 C ATOM 809 CD ARG A 54 8.086 4.795 -6.712 1.00 0.00 C ATOM 810 NE ARG A 54 8.036 6.271 -6.610 1.00 0.00 N ATOM 811 CZ ARG A 54 8.729 7.103 -7.399 1.00 0.00 C ATOM 812 NH1 ARG A 54 9.530 6.609 -8.353 1.00 0.00 N ATOM 813 NH2 ARG A 54 8.621 8.428 -7.235 1.00 0.00 N ATOM 0 H ARG A 54 6.596 3.100 -3.627 1.00 0.00 H new ATOM 0 HA ARG A 54 9.392 2.683 -3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.157 5.428 -3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.523 4.776 -4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.568 3.080 -5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.592 4.499 -5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.104 4.471 -6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.461 4.458 -7.539 1.00 0.00 H new ATOM 0 HE ARG A 54 7.436 6.680 -5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.612 5.600 -8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.058 7.242 -8.954 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.011 8.804 -6.509 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.149 9.061 -7.836 1.00 0.00 H new ATOM 827 N ALA A 55 8.082 4.609 -1.233 1.00 0.00 N ATOM 828 CA ALA A 55 8.323 5.198 0.073 1.00 0.00 C ATOM 829 C ALA A 55 8.729 4.098 1.056 1.00 0.00 C ATOM 830 O ALA A 55 9.503 4.342 1.980 1.00 0.00 O ATOM 831 CB ALA A 55 7.075 5.956 0.529 1.00 0.00 C ATOM 0 H ALA A 55 7.139 4.748 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 55 9.141 5.916 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.256 6.398 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.846 6.744 -0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.233 5.267 0.592 1.00 0.00 H new ATOM 837 N LEU A 56 8.189 2.911 0.823 1.00 0.00 N ATOM 838 CA LEU A 56 8.485 1.774 1.677 1.00 0.00 C ATOM 839 C LEU A 56 9.905 1.282 1.389 1.00 0.00 C ATOM 840 O LEU A 56 10.653 0.959 2.311 1.00 0.00 O ATOM 841 CB LEU A 56 7.416 0.691 1.518 1.00 0.00 C ATOM 842 CG LEU A 56 6.173 0.842 2.397 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.986 0.079 1.805 1.00 0.00 C ATOM 844 CD2 LEU A 56 6.465 0.419 3.838 1.00 0.00 C ATOM 0 H LEU A 56 7.548 2.712 0.055 1.00 0.00 H new ATOM 0 HA LEU A 56 8.455 2.068 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.099 0.671 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.872 -0.276 1.731 1.00 0.00 H new ATOM 0 HG LEU A 56 5.898 1.897 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.116 0.203 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.761 0.469 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.234 -0.980 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.565 0.536 4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.779 -0.625 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.259 1.044 4.247 1.00 0.00 H new ATOM 856 N GLY A 57 10.234 1.241 0.107 1.00 0.00 N ATOM 857 CA GLY A 57 11.552 0.794 -0.314 1.00 0.00 C ATOM 858 C GLY A 57 12.647 1.686 0.274 1.00 0.00 C ATOM 859 O GLY A 57 13.308 1.309 1.240 1.00 0.00 O ATOM 0 H GLY A 57 9.611 1.510 -0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.709 -0.237 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.614 0.806 -1.402 1.00 0.00 H new ATOM 863 N LYS A 58 12.805 2.853 -0.335 1.00 0.00 N ATOM 864 CA LYS A 58 13.809 3.802 0.116 1.00 0.00 C ATOM 865 C LYS A 58 13.543 4.162 1.579 1.00 0.00 C ATOM 866 O LYS A 58 14.446 4.605 2.287 1.00 0.00 O ATOM 867 CB LYS A 58 13.858 5.014 -0.816 1.00 0.00 C ATOM 868 CG LYS A 58 13.975 4.576 -2.278 1.00 0.00 C ATOM 869 CD LYS A 58 12.705 4.922 -3.058 1.00 0.00 C ATOM 870 CE LYS A 58 13.041 5.366 -4.483 1.00 0.00 C ATOM 871 NZ LYS A 58 12.914 6.835 -4.612 1.00 0.00 N ATOM 0 H LYS A 58 12.255 3.162 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 58 14.802 3.355 0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.959 5.616 -0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.706 5.646 -0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.834 5.064 -2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.154 3.502 -2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.046 4.055 -3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.163 5.716 -2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.056 5.059 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.374 4.874 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.146 7.119 -5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.939 7.120 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.569 7.299 -3.951 1.00 0.00 H new ATOM 885 N MET A 59 12.299 3.959 1.989 1.00 0.00 N ATOM 886 CA MET A 59 11.903 4.257 3.355 1.00 0.00 C ATOM 887 C MET A 59 11.932 5.764 3.618 1.00 0.00 C ATOM 888 O MET A 59 12.568 6.221 4.566 1.00 0.00 O ATOM 889 CB MET A 59 12.851 3.551 4.327 1.00 0.00 C ATOM 890 CG MET A 59 12.838 2.038 4.104 1.00 0.00 C ATOM 891 SD MET A 59 14.467 1.365 4.383 1.00 0.00 S ATOM 892 CE MET A 59 14.068 0.046 5.517 1.00 0.00 C ATOM 0 H MET A 59 11.552 3.592 1.399 1.00 0.00 H new ATOM 0 HA MET A 59 10.884 3.901 3.504 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.863 3.933 4.195 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.558 3.773 5.353 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.122 1.569 4.778 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.513 1.815 3.088 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.726 -0.803 5.333 1.00 0.00 H new ATOM 0 HE2 MET A 59 14.202 0.394 6.541 1.00 0.00 H new ATOM 0 HE3 MET A 59 13.032 -0.259 5.370 1.00 0.00 H new ATOM 902 N SER A 60 11.234 6.495 2.760 1.00 0.00 N ATOM 903 CA SER A 60 11.171 7.941 2.888 1.00 0.00 C ATOM 904 C SER A 60 9.774 8.366 3.344 1.00 0.00 C ATOM 905 O SER A 60 9.580 9.496 3.789 1.00 0.00 O ATOM 906 CB SER A 60 11.530 8.626 1.568 1.00 0.00 C ATOM 907 OG SER A 60 12.197 9.869 1.775 1.00 0.00 O ATOM 0 H SER A 60 10.708 6.113 1.974 1.00 0.00 H new ATOM 0 HA SER A 60 11.900 8.250 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.167 7.966 0.979 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.622 8.794 0.988 1.00 0.00 H new ATOM 0 HG SER A 60 11.546 10.547 2.052 1.00 0.00 H new ATOM 913 N LYS A 61 8.838 7.437 3.218 1.00 0.00 N ATOM 914 CA LYS A 61 7.464 7.702 3.612 1.00 0.00 C ATOM 915 C LYS A 61 6.978 8.979 2.925 1.00 0.00 C ATOM 916 O LYS A 61 6.020 9.605 3.377 1.00 0.00 O ATOM 917 CB LYS A 61 7.342 7.738 5.137 1.00 0.00 C ATOM 918 CG LYS A 61 7.920 9.037 5.702 1.00 0.00 C ATOM 919 CD LYS A 61 7.278 9.384 7.047 1.00 0.00 C ATOM 920 CE LYS A 61 7.238 10.898 7.261 1.00 0.00 C ATOM 921 NZ LYS A 61 5.948 11.303 7.862 1.00 0.00 N ATOM 0 H LYS A 61 9.003 6.501 2.849 1.00 0.00 H new ATOM 0 HA LYS A 61 6.810 6.895 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.294 7.647 5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.866 6.885 5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.998 8.936 5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.755 9.850 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.266 8.981 7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.840 8.914 7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.059 11.201 7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.379 11.410 6.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.889 12.341 7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.165 10.928 7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.882 10.925 8.829 1.00 0.00 H new ATOM 935 N ASN A 62 7.660 9.329 1.845 1.00 0.00 N ATOM 936 CA ASN A 62 7.310 10.520 1.091 1.00 0.00 C ATOM 937 C ASN A 62 5.986 10.286 0.361 1.00 0.00 C ATOM 938 O ASN A 62 5.748 9.201 -0.168 1.00 0.00 O ATOM 939 CB ASN A 62 8.377 10.843 0.043 1.00 0.00 C ATOM 940 CG ASN A 62 9.608 11.478 0.691 1.00 0.00 C ATOM 941 OD1 ASN A 62 10.094 11.041 1.721 1.00 0.00 O ATOM 942 ND2 ASN A 62 10.084 12.531 0.032 1.00 0.00 N ATOM 0 H ASN A 62 8.454 8.808 1.474 1.00 0.00 H new ATOM 0 HA ASN A 62 7.230 11.351 1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.666 9.931 -0.479 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.964 11.521 -0.704 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.904 13.025 0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.629 12.845 -0.825 1.00 0.00 H new ATOM 949 N GLU A 63 5.158 11.321 0.356 1.00 0.00 N ATOM 950 CA GLU A 63 3.864 11.241 -0.300 1.00 0.00 C ATOM 951 C GLU A 63 4.041 11.193 -1.819 1.00 0.00 C ATOM 952 O GLU A 63 3.145 10.756 -2.539 1.00 0.00 O ATOM 953 CB GLU A 63 2.969 12.412 0.111 1.00 0.00 C ATOM 954 CG GLU A 63 1.507 11.972 0.220 1.00 0.00 C ATOM 955 CD GLU A 63 0.643 12.674 -0.830 1.00 0.00 C ATOM 956 OE1 GLU A 63 0.905 12.439 -2.030 1.00 0.00 O ATOM 957 OE2 GLU A 63 -0.259 13.429 -0.409 1.00 0.00 O ATOM 0 H GLU A 63 5.358 12.219 0.796 1.00 0.00 H new ATOM 0 HA GLU A 63 3.373 10.321 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.304 12.813 1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.057 13.216 -0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.438 10.892 0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.129 12.198 1.217 1.00 0.00 H new ATOM 964 N GLU A 64 5.204 11.648 -2.262 1.00 0.00 N ATOM 965 CA GLU A 64 5.510 11.662 -3.682 1.00 0.00 C ATOM 966 C GLU A 64 6.191 10.355 -4.092 1.00 0.00 C ATOM 967 O GLU A 64 6.193 9.994 -5.268 1.00 0.00 O ATOM 968 CB GLU A 64 6.379 12.869 -4.044 1.00 0.00 C ATOM 969 CG GLU A 64 5.907 14.125 -3.308 1.00 0.00 C ATOM 970 CD GLU A 64 5.218 15.096 -4.269 1.00 0.00 C ATOM 971 OE1 GLU A 64 4.363 14.617 -5.045 1.00 0.00 O ATOM 972 OE2 GLU A 64 5.562 16.296 -4.205 1.00 0.00 O ATOM 0 H GLU A 64 5.946 12.010 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 64 4.574 11.750 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.418 12.663 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.342 13.038 -5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.218 13.846 -2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.758 14.616 -2.837 1.00 0.00 H new ATOM 979 N ASP A 65 6.751 9.680 -3.099 1.00 0.00 N ATOM 980 CA ASP A 65 7.433 8.420 -3.341 1.00 0.00 C ATOM 981 C ASP A 65 6.397 7.331 -3.628 1.00 0.00 C ATOM 982 O ASP A 65 6.542 6.567 -4.581 1.00 0.00 O ATOM 983 CB ASP A 65 8.245 7.989 -2.118 1.00 0.00 C ATOM 984 CG ASP A 65 9.694 8.479 -2.098 1.00 0.00 C ATOM 985 OD1 ASP A 65 10.043 9.255 -3.014 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.420 8.067 -1.168 1.00 0.00 O ATOM 0 H ASP A 65 6.746 9.982 -2.125 1.00 0.00 H new ATOM 0 HA ASP A 65 8.104 8.558 -4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.743 8.351 -1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.245 6.900 -2.066 1.00 0.00 H new ATOM 991 N VAL A 66 5.374 7.296 -2.787 1.00 0.00 N ATOM 992 CA VAL A 66 4.314 6.313 -2.938 1.00 0.00 C ATOM 993 C VAL A 66 3.835 6.307 -4.391 1.00 0.00 C ATOM 994 O VAL A 66 3.305 7.305 -4.878 1.00 0.00 O ATOM 995 CB VAL A 66 3.191 6.597 -1.939 1.00 0.00 C ATOM 996 CG1 VAL A 66 3.196 8.066 -1.511 1.00 0.00 C ATOM 997 CG2 VAL A 66 1.831 6.198 -2.515 1.00 0.00 C ATOM 0 H VAL A 66 5.256 7.932 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 66 4.685 5.313 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 66 3.370 5.989 -1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.388 8.241 -0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.150 8.305 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.054 8.700 -2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.050 6.410 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.641 6.766 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.832 5.133 -2.746 1.00 0.00 H new ATOM 1007 N SER A 67 4.037 5.172 -5.043 1.00 0.00 N ATOM 1008 CA SER A 67 3.631 5.023 -6.430 1.00 0.00 C ATOM 1009 C SER A 67 2.882 3.702 -6.617 1.00 0.00 C ATOM 1010 O SER A 67 3.360 2.648 -6.201 1.00 0.00 O ATOM 1011 CB SER A 67 4.840 5.084 -7.367 1.00 0.00 C ATOM 1012 OG SER A 67 4.673 6.062 -8.390 1.00 0.00 O ATOM 0 H SER A 67 4.477 4.346 -4.636 1.00 0.00 H new ATOM 0 HA SER A 67 2.967 5.849 -6.683 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.735 5.313 -6.789 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.996 4.106 -7.822 1.00 0.00 H new ATOM 0 HG SER A 67 5.466 6.072 -8.966 1.00 0.00 H new ATOM 1018 N PRO A 68 1.688 3.805 -7.260 1.00 0.00 N ATOM 1019 CA PRO A 68 0.867 2.632 -7.507 1.00 0.00 C ATOM 1020 C PRO A 68 1.446 1.788 -8.645 1.00 0.00 C ATOM 1021 O PRO A 68 0.830 0.813 -9.074 1.00 0.00 O ATOM 1022 CB PRO A 68 -0.517 3.178 -7.817 1.00 0.00 C ATOM 1023 CG PRO A 68 -0.315 4.638 -8.189 1.00 0.00 C ATOM 1024 CD PRO A 68 1.089 5.037 -7.766 1.00 0.00 C ATOM 0 HA PRO A 68 0.831 1.956 -6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.980 2.627 -8.635 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.177 3.082 -6.955 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.445 4.780 -9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.056 5.264 -7.692 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.657 5.437 -8.606 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.067 5.811 -6.999 1.00 0.00 H new ATOM 1032 N SER A 69 2.622 2.193 -9.100 1.00 0.00 N ATOM 1033 CA SER A 69 3.290 1.486 -10.179 1.00 0.00 C ATOM 1034 C SER A 69 4.800 1.462 -9.933 1.00 0.00 C ATOM 1035 O SER A 69 5.416 2.507 -9.726 1.00 0.00 O ATOM 1036 CB SER A 69 2.984 2.131 -11.533 1.00 0.00 C ATOM 1037 OG SER A 69 4.056 2.952 -11.988 1.00 0.00 O ATOM 0 H SER A 69 3.130 3.002 -8.741 1.00 0.00 H new ATOM 0 HA SER A 69 2.915 0.463 -10.201 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.786 1.352 -12.269 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.077 2.731 -11.452 1.00 0.00 H new ATOM 0 HG SER A 69 3.985 3.076 -12.958 1.00 0.00 H new ATOM 1043 N LEU A 70 5.353 0.259 -9.963 1.00 0.00 N ATOM 1044 CA LEU A 70 6.780 0.085 -9.746 1.00 0.00 C ATOM 1045 C LEU A 70 7.517 0.245 -11.076 1.00 0.00 C ATOM 1046 O LEU A 70 8.328 -0.602 -11.447 1.00 0.00 O ATOM 1047 CB LEU A 70 7.056 -1.247 -9.046 1.00 0.00 C ATOM 1048 CG LEU A 70 6.374 -2.476 -9.649 1.00 0.00 C ATOM 1049 CD1 LEU A 70 6.319 -2.379 -11.175 1.00 0.00 C ATOM 1050 CD2 LEU A 70 7.053 -3.765 -9.181 1.00 0.00 C ATOM 0 H LEU A 70 4.839 -0.605 -10.134 1.00 0.00 H new ATOM 0 HA LEU A 70 7.161 0.856 -9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.133 -1.418 -9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.746 -1.158 -8.005 1.00 0.00 H new ATOM 0 HG LEU A 70 5.345 -2.506 -9.291 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.829 -3.265 -11.579 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.757 -1.491 -11.463 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.332 -2.312 -11.572 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.549 -4.624 -9.624 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.098 -3.759 -9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.997 -3.832 -8.095 1.00 0.00 H new ATOM 1062 N GLU A 71 7.210 1.339 -11.759 1.00 0.00 N ATOM 1063 CA GLU A 71 7.834 1.621 -13.040 1.00 0.00 C ATOM 1064 C GLU A 71 9.130 2.409 -12.838 1.00 0.00 C ATOM 1065 O GLU A 71 9.331 3.450 -13.461 1.00 0.00 O ATOM 1066 CB GLU A 71 6.874 2.373 -13.964 1.00 0.00 C ATOM 1067 CG GLU A 71 6.507 3.738 -13.379 1.00 0.00 C ATOM 1068 CD GLU A 71 5.500 4.465 -14.273 1.00 0.00 C ATOM 1069 OE1 GLU A 71 4.553 3.788 -14.728 1.00 0.00 O ATOM 1070 OE2 GLU A 71 5.700 5.682 -14.480 1.00 0.00 O ATOM 0 H GLU A 71 6.537 2.040 -11.449 1.00 0.00 H new ATOM 0 HA GLU A 71 8.079 0.673 -13.519 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.334 2.505 -14.943 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.970 1.782 -14.114 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.087 3.609 -12.382 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.406 4.345 -13.270 1.00 0.00 H new ATOM 1077 N GLY A 72 9.975 1.882 -11.964 1.00 0.00 N ATOM 1078 CA GLY A 72 11.245 2.523 -11.671 1.00 0.00 C ATOM 1079 C GLY A 72 11.874 1.941 -10.404 1.00 0.00 C ATOM 1080 O GLY A 72 13.092 1.982 -10.235 1.00 0.00 O ATOM 0 H GLY A 72 9.805 1.018 -11.449 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.925 2.391 -12.512 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.095 3.595 -11.547 1.00 0.00 H new ATOM 1084 N LEU A 73 11.015 1.413 -9.544 1.00 0.00 N ATOM 1085 CA LEU A 73 11.471 0.823 -8.297 1.00 0.00 C ATOM 1086 C LEU A 73 12.821 0.140 -8.524 1.00 0.00 C ATOM 1087 O LEU A 73 12.920 -0.803 -9.308 1.00 0.00 O ATOM 1088 CB LEU A 73 10.401 -0.106 -7.721 1.00 0.00 C ATOM 1089 CG LEU A 73 9.518 0.488 -6.622 1.00 0.00 C ATOM 1090 CD1 LEU A 73 10.170 0.326 -5.247 1.00 0.00 C ATOM 1091 CD2 LEU A 73 9.173 1.947 -6.924 1.00 0.00 C ATOM 0 H LEU A 73 10.005 1.382 -9.686 1.00 0.00 H new ATOM 0 HA LEU A 73 11.627 1.596 -7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.758 -0.437 -8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.894 -0.993 -7.324 1.00 0.00 H new ATOM 0 HG LEU A 73 8.580 -0.067 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.522 0.757 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.322 -0.733 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.132 0.839 -5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.545 2.345 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.090 2.532 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.638 2.006 -7.872 1.00 0.00 H new ATOM 1103 N THR A 74 13.828 0.643 -7.825 1.00 0.00 N ATOM 1104 CA THR A 74 15.168 0.093 -7.940 1.00 0.00 C ATOM 1105 C THR A 74 15.372 -1.033 -6.925 1.00 0.00 C ATOM 1106 O THR A 74 14.464 -1.355 -6.160 1.00 0.00 O ATOM 1107 CB THR A 74 16.166 1.242 -7.782 1.00 0.00 C ATOM 1108 OG1 THR A 74 17.438 0.602 -7.800 1.00 0.00 O ATOM 1109 CG2 THR A 74 16.095 1.892 -6.398 1.00 0.00 C ATOM 0 H THR A 74 13.743 1.426 -7.177 1.00 0.00 H new ATOM 0 HA THR A 74 15.326 -0.362 -8.918 1.00 0.00 H new ATOM 0 HB THR A 74 15.977 1.995 -8.547 1.00 0.00 H new ATOM 0 HG1 THR A 74 17.580 0.180 -8.673 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.823 2.701 -6.338 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.094 2.292 -6.235 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.317 1.147 -5.634 1.00 0.00 H new ATOM 1117 N GLU A 75 16.569 -1.601 -6.951 1.00 0.00 N ATOM 1118 CA GLU A 75 16.903 -2.684 -6.043 1.00 0.00 C ATOM 1119 C GLU A 75 16.880 -2.189 -4.595 1.00 0.00 C ATOM 1120 O GLU A 75 16.409 -2.892 -3.702 1.00 0.00 O ATOM 1121 CB GLU A 75 18.262 -3.293 -6.392 1.00 0.00 C ATOM 1122 CG GLU A 75 18.099 -4.692 -6.991 1.00 0.00 C ATOM 1123 CD GLU A 75 19.126 -5.662 -6.404 1.00 0.00 C ATOM 1124 OE1 GLU A 75 20.283 -5.224 -6.226 1.00 0.00 O ATOM 1125 OE2 GLU A 75 18.731 -6.820 -6.148 1.00 0.00 O ATOM 0 H GLU A 75 17.319 -1.331 -7.587 1.00 0.00 H new ATOM 0 HA GLU A 75 16.152 -3.467 -6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.782 -2.648 -7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 75 18.881 -3.347 -5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.092 -5.060 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.216 -4.644 -8.074 1.00 0.00 H new ATOM 1132 N LYS A 76 17.394 -0.982 -4.408 1.00 0.00 N ATOM 1133 CA LYS A 76 17.438 -0.385 -3.084 1.00 0.00 C ATOM 1134 C LYS A 76 16.048 -0.458 -2.450 1.00 0.00 C ATOM 1135 O LYS A 76 15.899 -0.928 -1.323 1.00 0.00 O ATOM 1136 CB LYS A 76 18.009 1.032 -3.154 1.00 0.00 C ATOM 1137 CG LYS A 76 16.898 2.078 -3.034 1.00 0.00 C ATOM 1138 CD LYS A 76 17.482 3.485 -2.893 1.00 0.00 C ATOM 1139 CE LYS A 76 18.124 3.946 -4.202 1.00 0.00 C ATOM 1140 NZ LYS A 76 19.331 4.758 -3.930 1.00 0.00 N ATOM 0 H LYS A 76 17.783 -0.402 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 76 18.113 -0.944 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.736 1.175 -2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.541 1.167 -4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.255 2.034 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.273 1.852 -2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.695 4.182 -2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.225 3.496 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.390 3.080 -4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.408 4.531 -4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.754 5.063 -4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.068 5.594 -3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.020 4.188 -3.399 1.00 0.00 H new ATOM 1154 N GLU A 77 15.064 0.015 -3.201 1.00 0.00 N ATOM 1155 CA GLU A 77 13.691 0.010 -2.727 1.00 0.00 C ATOM 1156 C GLU A 77 13.074 -1.379 -2.901 1.00 0.00 C ATOM 1157 O GLU A 77 12.368 -1.864 -2.019 1.00 0.00 O ATOM 1158 CB GLU A 77 12.859 1.074 -3.446 1.00 0.00 C ATOM 1159 CG GLU A 77 13.418 1.357 -4.841 1.00 0.00 C ATOM 1160 CD GLU A 77 12.538 2.358 -5.592 1.00 0.00 C ATOM 1161 OE1 GLU A 77 11.395 2.567 -5.130 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.028 2.893 -6.610 1.00 0.00 O ATOM 0 H GLU A 77 15.191 0.404 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 77 13.693 0.254 -1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.825 0.739 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.852 1.993 -2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.432 1.749 -4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.482 0.427 -5.407 1.00 0.00 H new ATOM 1169 N ILE A 78 13.364 -1.981 -4.045 1.00 0.00 N ATOM 1170 CA ILE A 78 12.847 -3.305 -4.347 1.00 0.00 C ATOM 1171 C ILE A 78 13.184 -4.254 -3.195 1.00 0.00 C ATOM 1172 O ILE A 78 12.322 -4.996 -2.725 1.00 0.00 O ATOM 1173 CB ILE A 78 13.359 -3.783 -5.707 1.00 0.00 C ATOM 1174 CG1 ILE A 78 12.600 -3.103 -6.849 1.00 0.00 C ATOM 1175 CG2 ILE A 78 13.301 -5.309 -5.809 1.00 0.00 C ATOM 1176 CD1 ILE A 78 11.768 -4.118 -7.635 1.00 0.00 C ATOM 0 H ILE A 78 13.951 -1.576 -4.774 1.00 0.00 H new ATOM 0 HA ILE A 78 11.761 -3.279 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 78 14.406 -3.493 -5.799 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.949 -2.327 -6.446 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.306 -2.611 -7.518 1.00 0.00 H new ATOM 0 HG21 ILE A 78 13.670 -5.623 -6.785 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.920 -5.750 -5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.271 -5.643 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.239 -3.609 -8.440 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.425 -4.879 -8.057 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.046 -4.591 -6.969 1.00 0.00 H new ATOM 1188 N ASN A 79 14.439 -4.199 -2.773 1.00 0.00 N ATOM 1189 CA ASN A 79 14.900 -5.044 -1.685 1.00 0.00 C ATOM 1190 C ASN A 79 13.931 -4.925 -0.506 1.00 0.00 C ATOM 1191 O ASN A 79 13.430 -5.930 -0.005 1.00 0.00 O ATOM 1192 CB ASN A 79 16.286 -4.614 -1.203 1.00 0.00 C ATOM 1193 CG ASN A 79 17.362 -5.590 -1.685 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.323 -6.779 -1.416 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.321 -5.022 -2.411 1.00 0.00 N ATOM 0 H ASN A 79 15.151 -3.582 -3.165 1.00 0.00 H new ATOM 0 HA ASN A 79 14.948 -6.069 -2.052 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.508 -3.612 -1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.297 -4.564 -0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 79 19.085 -5.589 -2.780 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.293 -4.020 -2.599 1.00 0.00 H new ATOM 1202 N THR A 80 13.697 -3.686 -0.097 1.00 0.00 N ATOM 1203 CA THR A 80 12.798 -3.422 1.013 1.00 0.00 C ATOM 1204 C THR A 80 11.342 -3.489 0.548 1.00 0.00 C ATOM 1205 O THR A 80 10.507 -4.117 1.197 1.00 0.00 O ATOM 1206 CB THR A 80 13.180 -2.071 1.620 1.00 0.00 C ATOM 1207 OG1 THR A 80 14.455 -2.304 2.213 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.286 -1.685 2.800 1.00 0.00 C ATOM 0 H THR A 80 14.115 -2.854 -0.515 1.00 0.00 H new ATOM 0 HA THR A 80 12.894 -4.182 1.789 1.00 0.00 H new ATOM 0 HB THR A 80 13.121 -1.299 0.852 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.778 -1.478 2.629 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.600 -0.718 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.250 -1.622 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.370 -2.440 3.582 1.00 0.00 H new ATOM 1216 N LEU A 81 11.082 -2.833 -0.574 1.00 0.00 N ATOM 1217 CA LEU A 81 9.741 -2.810 -1.134 1.00 0.00 C ATOM 1218 C LEU A 81 9.266 -4.246 -1.368 1.00 0.00 C ATOM 1219 O LEU A 81 8.249 -4.664 -0.817 1.00 0.00 O ATOM 1220 CB LEU A 81 9.700 -1.937 -2.389 1.00 0.00 C ATOM 1221 CG LEU A 81 8.424 -2.030 -3.229 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.547 -3.123 -4.292 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.195 -2.229 -2.340 1.00 0.00 C ATOM 0 H LEU A 81 11.777 -2.314 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 81 9.043 -2.353 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.839 -0.898 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.547 -2.203 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 81 8.290 -1.084 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.627 -3.169 -4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.384 -2.896 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.717 -4.084 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.302 -2.292 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.305 -3.151 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.101 -1.386 -1.655 1.00 0.00 H new ATOM 1235 N ASN A 82 10.026 -4.961 -2.185 1.00 0.00 N ATOM 1236 CA ASN A 82 9.695 -6.340 -2.498 1.00 0.00 C ATOM 1237 C ASN A 82 9.482 -7.117 -1.197 1.00 0.00 C ATOM 1238 O ASN A 82 8.460 -7.780 -1.027 1.00 0.00 O ATOM 1239 CB ASN A 82 10.829 -7.016 -3.272 1.00 0.00 C ATOM 1240 CG ASN A 82 10.319 -8.240 -4.035 1.00 0.00 C ATOM 1241 OD1 ASN A 82 9.938 -9.247 -3.462 1.00 0.00 O ATOM 1242 ND2 ASN A 82 10.332 -8.097 -5.358 1.00 0.00 N ATOM 0 H ASN A 82 10.869 -4.611 -2.639 1.00 0.00 H new ATOM 0 HA ASN A 82 8.791 -6.340 -3.108 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.271 -6.306 -3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.617 -7.316 -2.581 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.010 -8.858 -5.956 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.664 -7.227 -5.774 1.00 0.00 H new ATOM 1249 N ASP A 83 10.463 -7.010 -0.314 1.00 0.00 N ATOM 1250 CA ASP A 83 10.395 -7.694 0.966 1.00 0.00 C ATOM 1251 C ASP A 83 9.222 -7.138 1.776 1.00 0.00 C ATOM 1252 O ASP A 83 8.591 -7.866 2.541 1.00 0.00 O ATOM 1253 CB ASP A 83 11.674 -7.475 1.777 1.00 0.00 C ATOM 1254 CG ASP A 83 11.591 -7.898 3.244 1.00 0.00 C ATOM 1255 OD1 ASP A 83 10.718 -8.741 3.543 1.00 0.00 O ATOM 1256 OD2 ASP A 83 12.402 -7.369 4.035 1.00 0.00 O ATOM 0 H ASP A 83 11.310 -6.460 -0.459 1.00 0.00 H new ATOM 0 HA ASP A 83 10.269 -8.759 0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.486 -8.025 1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.937 -6.418 1.734 1.00 0.00 H new ATOM 1261 N TRP A 84 8.964 -5.854 1.578 1.00 0.00 N ATOM 1262 CA TRP A 84 7.878 -5.192 2.280 1.00 0.00 C ATOM 1263 C TRP A 84 6.578 -5.923 1.937 1.00 0.00 C ATOM 1264 O TRP A 84 5.712 -6.092 2.793 1.00 0.00 O ATOM 1265 CB TRP A 84 7.833 -3.701 1.940 1.00 0.00 C ATOM 1266 CG TRP A 84 8.397 -2.795 3.036 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.230 -1.754 2.898 1.00 0.00 C ATOM 1268 CD2 TRP A 84 8.135 -2.892 4.451 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.522 -1.175 4.117 1.00 0.00 N ATOM 1270 CE2 TRP A 84 8.835 -1.890 5.091 1.00 0.00 C ATOM 1271 CE3 TRP A 84 7.332 -3.798 5.168 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.803 -1.697 6.478 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 7.311 -3.592 6.553 1.00 0.00 C ATOM 1274 CH2 TRP A 84 8.010 -2.587 7.212 1.00 0.00 C ATOM 0 H TRP A 84 9.489 -5.254 0.941 1.00 0.00 H new ATOM 0 HA TRP A 84 8.030 -5.240 3.358 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.392 -3.532 1.020 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.800 -3.415 1.743 1.00 0.00 H new ATOM 0 HD1 TRP A 84 9.623 -1.411 1.952 1.00 0.00 H new ATOM 0 HE1 TRP A 84 10.130 -0.371 4.274 1.00 0.00 H new ATOM 0 HE3 TRP A 84 6.776 -4.590 4.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 9.360 -0.904 6.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 6.710 -4.261 7.151 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.941 -2.493 8.286 1.00 0.00 H new ATOM 1285 N GLU A 85 6.484 -6.337 0.681 1.00 0.00 N ATOM 1286 CA GLU A 85 5.305 -7.046 0.214 1.00 0.00 C ATOM 1287 C GLU A 85 5.119 -8.344 1.001 1.00 0.00 C ATOM 1288 O GLU A 85 4.011 -8.663 1.429 1.00 0.00 O ATOM 1289 CB GLU A 85 5.391 -7.323 -1.288 1.00 0.00 C ATOM 1290 CG GLU A 85 4.876 -8.725 -1.617 1.00 0.00 C ATOM 1291 CD GLU A 85 5.963 -9.777 -1.385 1.00 0.00 C ATOM 1292 OE1 GLU A 85 7.081 -9.562 -1.903 1.00 0.00 O ATOM 1293 OE2 GLU A 85 5.653 -10.771 -0.694 1.00 0.00 O ATOM 0 H GLU A 85 7.205 -6.195 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 85 4.434 -6.413 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.808 -6.580 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.424 -7.224 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.008 -8.952 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.546 -8.761 -2.655 1.00 0.00 H new ATOM 1300 N THR A 86 6.222 -9.059 1.170 1.00 0.00 N ATOM 1301 CA THR A 86 6.195 -10.316 1.898 1.00 0.00 C ATOM 1302 C THR A 86 5.856 -10.073 3.370 1.00 0.00 C ATOM 1303 O THR A 86 5.185 -10.889 4.000 1.00 0.00 O ATOM 1304 CB THR A 86 7.543 -11.011 1.692 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.290 -11.961 0.661 1.00 0.00 O ATOM 1306 CG2 THR A 86 7.951 -11.865 2.894 1.00 0.00 C ATOM 0 H THR A 86 7.140 -8.791 0.815 1.00 0.00 H new ATOM 0 HA THR A 86 5.412 -10.974 1.521 1.00 0.00 H new ATOM 0 HB THR A 86 8.312 -10.262 1.501 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.642 -11.590 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.914 -12.336 2.696 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.031 -11.233 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.199 -12.635 3.065 1.00 0.00 H new ATOM 1314 N LYS A 87 6.335 -8.945 3.876 1.00 0.00 N ATOM 1315 CA LYS A 87 6.090 -8.584 5.262 1.00 0.00 C ATOM 1316 C LYS A 87 4.633 -8.147 5.421 1.00 0.00 C ATOM 1317 O LYS A 87 3.972 -8.519 6.389 1.00 0.00 O ATOM 1318 CB LYS A 87 7.102 -7.535 5.728 1.00 0.00 C ATOM 1319 CG LYS A 87 8.536 -8.015 5.497 1.00 0.00 C ATOM 1320 CD LYS A 87 9.498 -6.831 5.379 1.00 0.00 C ATOM 1321 CE LYS A 87 10.737 -7.042 6.252 1.00 0.00 C ATOM 1322 NZ LYS A 87 10.431 -6.739 7.668 1.00 0.00 N ATOM 0 H LYS A 87 6.891 -8.270 3.351 1.00 0.00 H new ATOM 0 HA LYS A 87 6.236 -9.446 5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.936 -6.601 5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.951 -7.325 6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.845 -8.659 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.580 -8.616 4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.799 -6.704 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.990 -5.914 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.082 -8.072 6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.548 -6.402 5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.282 -6.887 8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.123 -5.749 7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.672 -7.367 8.001 1.00 0.00 H new ATOM 1336 N PHE A 88 4.175 -7.362 4.456 1.00 0.00 N ATOM 1337 CA PHE A 88 2.808 -6.871 4.477 1.00 0.00 C ATOM 1338 C PHE A 88 1.818 -7.988 4.144 1.00 0.00 C ATOM 1339 O PHE A 88 0.776 -8.111 4.785 1.00 0.00 O ATOM 1340 CB PHE A 88 2.708 -5.781 3.408 1.00 0.00 C ATOM 1341 CG PHE A 88 2.586 -4.364 3.972 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.388 -3.969 4.997 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.675 -3.500 3.450 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.274 -2.654 5.521 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.561 -2.185 3.974 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.364 -1.790 4.998 1.00 0.00 C ATOM 0 H PHE A 88 4.727 -7.054 3.655 1.00 0.00 H new ATOM 0 HA PHE A 88 2.565 -6.491 5.469 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.589 -5.832 2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.844 -5.985 2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.111 -4.655 5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.038 -3.814 2.636 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.910 -2.340 6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.837 -1.499 3.560 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.279 -0.790 5.396 1.00 0.00 H new ATOM 1356 N GLU A 89 2.178 -8.775 3.140 1.00 0.00 N ATOM 1357 CA GLU A 89 1.335 -9.878 2.714 1.00 0.00 C ATOM 1358 C GLU A 89 1.370 -11.004 3.748 1.00 0.00 C ATOM 1359 O GLU A 89 0.482 -11.855 3.776 1.00 0.00 O ATOM 1360 CB GLU A 89 1.755 -10.388 1.334 1.00 0.00 C ATOM 1361 CG GLU A 89 2.937 -11.353 1.442 1.00 0.00 C ATOM 1362 CD GLU A 89 2.455 -12.801 1.549 1.00 0.00 C ATOM 1363 OE1 GLU A 89 1.975 -13.317 0.517 1.00 0.00 O ATOM 1364 OE2 GLU A 89 2.577 -13.359 2.661 1.00 0.00 O ATOM 0 H GLU A 89 3.043 -8.670 2.609 1.00 0.00 H new ATOM 0 HA GLU A 89 0.310 -9.516 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.914 -10.890 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.026 -9.545 0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.581 -11.244 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.538 -11.101 2.315 1.00 0.00 H new ATOM 1371 N ALA A 90 2.406 -10.974 4.574 1.00 0.00 N ATOM 1372 CA ALA A 90 2.569 -11.981 5.608 1.00 0.00 C ATOM 1373 C ALA A 90 1.834 -11.532 6.873 1.00 0.00 C ATOM 1374 O ALA A 90 1.581 -12.338 7.767 1.00 0.00 O ATOM 1375 CB ALA A 90 4.059 -12.224 5.855 1.00 0.00 C ATOM 0 H ALA A 90 3.141 -10.267 4.548 1.00 0.00 H new ATOM 0 HA ALA A 90 2.132 -12.928 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.181 -12.980 6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.529 -12.570 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.531 -11.295 6.176 1.00 0.00 H new ATOM 1381 N LYS A 91 1.513 -10.247 6.907 1.00 0.00 N ATOM 1382 CA LYS A 91 0.812 -9.681 8.047 1.00 0.00 C ATOM 1383 C LYS A 91 -0.578 -9.218 7.607 1.00 0.00 C ATOM 1384 O LYS A 91 -1.587 -9.770 8.044 1.00 0.00 O ATOM 1385 CB LYS A 91 1.651 -8.578 8.697 1.00 0.00 C ATOM 1386 CG LYS A 91 2.506 -9.139 9.834 1.00 0.00 C ATOM 1387 CD LYS A 91 2.146 -8.480 11.168 1.00 0.00 C ATOM 1388 CE LYS A 91 1.031 -9.253 11.876 1.00 0.00 C ATOM 1389 NZ LYS A 91 -0.031 -8.328 12.333 1.00 0.00 N ATOM 0 H LYS A 91 1.725 -9.582 6.164 1.00 0.00 H new ATOM 0 HA LYS A 91 0.667 -10.437 8.819 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.294 -8.116 7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.996 -7.796 9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.360 -10.217 9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.561 -8.974 9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.028 -8.439 11.807 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.828 -7.452 10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.608 -9.995 11.199 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.441 -9.795 12.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.780 -8.868 12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.373 -7.636 12.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.433 -7.829 11.514 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.587 -8.210 6.747 1.00 0.00 N ATOM 1404 CA TYR A 92 -1.837 -7.667 6.244 1.00 0.00 C ATOM 1405 C TYR A 92 -2.488 -8.625 5.244 1.00 0.00 C ATOM 1406 O TYR A 92 -1.806 -9.205 4.400 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.472 -6.367 5.523 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.102 -5.217 6.461 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.796 -5.040 7.641 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.076 -4.357 6.129 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.449 -3.957 8.525 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.272 -3.275 7.012 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.432 -3.128 8.167 1.00 0.00 C ATOM 1414 OH TYR A 92 -0.103 -2.106 9.001 1.00 0.00 O ATOM 0 H TYR A 92 0.252 -7.755 6.386 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.543 -7.509 7.060 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.635 -6.559 4.852 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.314 -6.059 4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.599 -5.713 7.901 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.467 -4.496 5.206 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.984 -3.807 9.451 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.074 -2.595 6.763 1.00 0.00 H new ATOM 0 HH TYR A 92 0.642 -1.597 8.617 1.00 0.00 H new ATOM 1424 N PRO A 93 -3.834 -8.765 5.376 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.585 -9.643 4.495 1.00 0.00 C ATOM 1426 C PRO A 93 -4.751 -9.017 3.109 1.00 0.00 C ATOM 1427 O PRO A 93 -5.082 -7.838 2.992 1.00 0.00 O ATOM 1428 CB PRO A 93 -5.909 -9.875 5.205 1.00 0.00 C ATOM 1429 CG PRO A 93 -6.036 -8.756 6.226 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.674 -8.095 6.364 1.00 0.00 C ATOM 0 HA PRO A 93 -4.076 -10.589 4.311 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.739 -9.856 4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.926 -10.851 5.691 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.782 -8.029 5.905 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.368 -9.151 7.186 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.733 -7.024 6.172 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.275 -8.217 7.371 1.00 0.00 H new ATOM 1438 N VAL A 94 -4.515 -9.835 2.093 1.00 0.00 N ATOM 1439 CA VAL A 94 -4.634 -9.376 0.720 1.00 0.00 C ATOM 1440 C VAL A 94 -6.090 -9.506 0.268 1.00 0.00 C ATOM 1441 O VAL A 94 -6.584 -10.614 0.063 1.00 0.00 O ATOM 1442 CB VAL A 94 -3.660 -10.144 -0.175 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -3.620 -9.545 -1.582 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -2.261 -10.184 0.444 1.00 0.00 C ATOM 0 H VAL A 94 -4.242 -10.813 2.194 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.362 -8.323 0.645 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.019 -11.170 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.920 -10.109 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.614 -9.593 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.297 -8.505 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.588 -10.736 -0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.890 -9.167 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.307 -10.678 1.415 1.00 0.00 H new ATOM 1454 N VAL A 95 -6.737 -8.358 0.127 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.127 -8.330 -0.297 1.00 0.00 C ATOM 1456 C VAL A 95 -8.191 -8.364 -1.825 1.00 0.00 C ATOM 1457 O VAL A 95 -9.273 -8.445 -2.403 1.00 0.00 O ATOM 1458 CB VAL A 95 -8.832 -7.112 0.304 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -8.782 -7.148 1.833 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -8.233 -5.811 -0.234 1.00 0.00 C ATOM 0 H VAL A 95 -6.325 -7.441 0.299 1.00 0.00 H new ATOM 0 HA VAL A 95 -8.656 -9.210 0.070 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.879 -7.149 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.290 -6.271 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.277 -8.050 2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.743 -7.148 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.752 -4.961 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.175 -5.764 0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.345 -5.780 -1.318 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.017 -8.302 -2.436 1.00 0.00 N ATOM 1471 CA GLY A 96 -6.925 -8.325 -3.886 1.00 0.00 C ATOM 1472 C GLY A 96 -5.677 -7.582 -4.368 1.00 0.00 C ATOM 1473 O GLY A 96 -4.849 -7.163 -3.561 1.00 0.00 O ATOM 0 H GLY A 96 -6.121 -8.236 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.896 -9.357 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.815 -7.867 -4.318 1.00 0.00 H new ATOM 1477 N ARG A 97 -5.582 -7.442 -5.683 1.00 0.00 N ATOM 1478 CA ARG A 97 -4.450 -6.758 -6.282 1.00 0.00 C ATOM 1479 C ARG A 97 -4.903 -5.448 -6.930 1.00 0.00 C ATOM 1480 O ARG A 97 -6.003 -5.369 -7.473 1.00 0.00 O ATOM 1481 CB ARG A 97 -3.773 -7.634 -7.339 1.00 0.00 C ATOM 1482 CG ARG A 97 -4.563 -7.621 -8.649 1.00 0.00 C ATOM 1483 CD ARG A 97 -3.845 -6.788 -9.714 1.00 0.00 C ATOM 1484 NE ARG A 97 -4.229 -7.255 -11.065 1.00 0.00 N ATOM 1485 CZ ARG A 97 -3.595 -6.899 -12.190 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -2.542 -6.071 -12.134 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -4.013 -7.371 -13.373 1.00 0.00 N ATOM 0 H ARG A 97 -6.271 -7.791 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.733 -6.546 -5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.759 -7.276 -7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.690 -8.656 -6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.695 -8.642 -9.008 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.559 -7.213 -8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.101 -5.735 -9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.766 -6.870 -9.585 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.026 -7.887 -11.144 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -2.223 -5.712 -11.234 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.060 -5.800 -12.991 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.814 -8.001 -13.416 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.530 -7.100 -14.230 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.031 -4.453 -6.850 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.328 -3.151 -7.422 1.00 0.00 C ATOM 1503 C VAL A 98 -4.528 -3.295 -8.932 1.00 0.00 C ATOM 1504 O VAL A 98 -3.585 -3.600 -9.660 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.225 -2.155 -7.057 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.163 -1.010 -8.070 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.417 -1.621 -5.636 1.00 0.00 C ATOM 0 H VAL A 98 -3.119 -4.523 -6.398 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.255 -2.755 -7.008 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.272 -2.683 -7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.371 -0.317 -7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.956 -1.412 -9.062 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.118 -0.484 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.620 -0.915 -5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.381 -1.117 -5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.387 -2.450 -4.929 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.762 -3.068 -9.358 1.00 0.00 N ATOM 1518 CA VAL A 99 -6.097 -3.169 -10.768 1.00 0.00 C ATOM 1519 C VAL A 99 -6.332 -1.766 -11.333 1.00 0.00 C ATOM 1520 O VAL A 99 -7.377 -1.164 -11.093 1.00 0.00 O ATOM 1521 CB VAL A 99 -7.298 -4.098 -10.955 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -6.906 -5.557 -10.714 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -8.458 -3.684 -10.047 1.00 0.00 C ATOM 0 H VAL A 99 -6.542 -2.815 -8.751 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.272 -3.611 -11.327 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.633 -4.008 -11.988 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.778 -6.196 -10.853 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.128 -5.846 -11.420 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.532 -5.670 -9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.299 -4.361 -10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.139 -3.730 -9.006 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.763 -2.666 -10.288 1.00 0.00 H new ATOM 1533 N SER A 100 -5.342 -1.288 -12.073 1.00 0.00 N ATOM 1534 CA SER A 100 -5.428 0.032 -12.674 1.00 0.00 C ATOM 1535 C SER A 100 -6.290 -0.023 -13.937 1.00 0.00 C ATOM 1536 O SER A 100 -5.908 -0.646 -14.927 1.00 0.00 O ATOM 1537 CB SER A 100 -4.038 0.579 -13.004 1.00 0.00 C ATOM 1538 OG SER A 100 -3.197 -0.415 -13.585 1.00 0.00 O ATOM 0 H SER A 100 -4.477 -1.791 -12.270 1.00 0.00 H new ATOM 0 HA SER A 100 -5.892 0.706 -11.954 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.133 1.420 -13.691 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.573 0.961 -12.095 1.00 0.00 H new ATOM 0 HG SER A 100 -3.701 -0.916 -14.260 1.00 0.00 H new TER 1544 SER A 100