USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 919 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 59 MET CE :methyl -109:sc= -0.361 (180deg=-2.04) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= -1.04 USER MOD Set 2.1: A 51 THR OG1 : rot 80:sc= 0.126 USER MOD Set 2.2: A 97 MET CE :methyl -160:sc= -0.113 (180deg=-0.663) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 4 SER OG : rot 3:sc= 0.447 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.015 K(o=-0.015,f=-2.2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 31 SER OG : rot 180:sc=-0.00501 USER MOD Single : A 32 THR OG1 : rot 81:sc= 0.0239 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.73 K(o=-3.7,f=-1.9) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 150:sc= -0.781 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00561 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -7.56! C(o=-7.6!,f=-5.2!) USER MOD Single : A 54 SER OG : rot -41:sc= 0.21 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 173:sc= 0 (180deg=-0.141) USER MOD Single : A 65 LYS NZ :NH3+ -171:sc=-0.00849 (180deg=-0.127) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= -0.314 (180deg=-0.506) USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00465) USER MOD Single : A 75 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.6!) USER MOD Single : A 78 ASN : amide:sc= -2.06 X(o=-2.1,f=-2.4) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 88 MET CE :methyl -134:sc= -0.432 (180deg=-1.58!) USER MOD Single : A 92 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.12) USER MOD Single : A 93 ASN : amide:sc= -4.67! K(o=-4.7!,f=-0.99) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.719 K(o=-0.72,f=-1.8) USER MOD Single : A 101 LYS NZ :NH3+ 153:sc= -0.124 (180deg=-0.723) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 106 GLN : amide:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -1.29 USER MOD Single : A 112 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -11.139 11.818 6.476 1.00 0.00 N ATOM 2 CA PRO A 1 -11.350 10.594 7.277 1.00 0.00 C ATOM 3 C PRO A 1 -11.151 9.330 6.450 1.00 0.00 C ATOM 4 O PRO A 1 -10.541 8.361 6.906 1.00 0.00 O ATOM 5 CB PRO A 1 -12.773 10.668 7.814 1.00 0.00 C ATOM 6 CG PRO A 1 -13.443 11.699 6.954 1.00 0.00 C ATOM 7 CD PRO A 1 -12.362 12.634 6.448 1.00 0.00 C ATOM 0 H2 PRO A 1 -10.870 11.566 5.525 1.00 0.00 H new ATOM 0 H3 PRO A 1 -10.370 12.361 6.870 1.00 0.00 H new ATOM 0 HA PRO A 1 -10.620 10.542 8.085 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.275 9.703 7.742 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -12.787 10.957 8.865 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -13.963 11.226 6.121 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -14.191 12.249 7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -12.581 12.989 5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -12.268 13.515 7.083 1.00 0.00 H new ATOM 17 N SER A 2 -11.671 9.351 5.236 1.00 0.00 N ATOM 18 CA SER A 2 -11.561 8.215 4.329 1.00 0.00 C ATOM 19 C SER A 2 -10.099 7.864 4.069 1.00 0.00 C ATOM 20 O SER A 2 -9.752 6.697 3.894 1.00 0.00 O ATOM 21 CB SER A 2 -12.268 8.519 3.008 1.00 0.00 C ATOM 22 OG SER A 2 -13.617 8.895 3.225 1.00 0.00 O ATOM 0 H SER A 2 -12.178 10.147 4.850 1.00 0.00 H new ATOM 0 HA SER A 2 -12.042 7.358 4.801 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.743 9.320 2.487 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.231 7.642 2.362 1.00 0.00 H new ATOM 0 HG SER A 2 -14.046 9.086 2.365 1.00 0.00 H new ATOM 28 N HIS A 3 -9.248 8.884 4.044 1.00 0.00 N ATOM 29 CA HIS A 3 -7.822 8.685 3.805 1.00 0.00 C ATOM 30 C HIS A 3 -7.212 7.763 4.855 1.00 0.00 C ATOM 31 O HIS A 3 -6.191 7.118 4.613 1.00 0.00 O ATOM 32 CB HIS A 3 -7.091 10.028 3.801 1.00 0.00 C ATOM 33 CG HIS A 3 -7.265 10.802 2.533 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.328 11.650 2.306 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.502 10.854 1.415 1.00 0.00 C ATOM 36 CE1 HIS A 3 -8.213 12.188 1.106 1.00 0.00 C ATOM 37 NE2 HIS A 3 -7.113 11.724 0.545 1.00 0.00 N ATOM 0 H HIS A 3 -9.520 9.857 4.186 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.708 8.214 2.829 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.450 10.630 4.636 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.028 9.854 3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.584 10.312 1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.903 12.889 0.659 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.772 11.971 -0.384 1.00 0.00 H new ATOM 46 N SER A 4 -7.842 7.707 6.020 1.00 0.00 N ATOM 47 CA SER A 4 -7.363 6.865 7.111 1.00 0.00 C ATOM 48 C SER A 4 -8.380 5.783 7.453 1.00 0.00 C ATOM 49 O SER A 4 -9.559 6.065 7.665 1.00 0.00 O ATOM 50 CB SER A 4 -7.069 7.717 8.347 1.00 0.00 C ATOM 51 OG SER A 4 -8.209 8.462 8.736 1.00 0.00 O ATOM 0 H SER A 4 -8.688 8.235 6.236 1.00 0.00 H new ATOM 0 HA SER A 4 -6.443 6.380 6.785 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.753 7.074 9.169 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.242 8.395 8.137 1.00 0.00 H new ATOM 0 HG SER A 4 -8.963 8.235 8.153 1.00 0.00 H new ATOM 57 N GLY A 5 -7.909 4.542 7.506 1.00 0.00 N ATOM 58 CA GLY A 5 -8.778 3.427 7.824 1.00 0.00 C ATOM 59 C GLY A 5 -8.000 2.232 8.333 1.00 0.00 C ATOM 60 O GLY A 5 -6.834 2.051 7.982 1.00 0.00 O ATOM 0 H GLY A 5 -6.936 4.289 7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.503 3.735 8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.342 3.142 6.936 1.00 0.00 H new ATOM 64 N ALA A 6 -8.636 1.415 9.163 1.00 0.00 N ATOM 65 CA ALA A 6 -7.978 0.240 9.715 1.00 0.00 C ATOM 66 C ALA A 6 -7.635 -0.764 8.624 1.00 0.00 C ATOM 67 O ALA A 6 -8.421 -0.995 7.706 1.00 0.00 O ATOM 68 CB ALA A 6 -8.844 -0.416 10.776 1.00 0.00 C ATOM 0 H ALA A 6 -9.601 1.544 9.467 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.049 0.572 10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.331 -1.292 11.174 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.031 0.293 11.583 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.793 -0.721 10.334 1.00 0.00 H new ATOM 74 N ALA A 7 -6.455 -1.360 8.735 1.00 0.00 N ATOM 75 CA ALA A 7 -6.003 -2.344 7.758 1.00 0.00 C ATOM 76 C ALA A 7 -4.931 -3.265 8.336 1.00 0.00 C ATOM 77 O ALA A 7 -4.142 -2.858 9.188 1.00 0.00 O ATOM 78 CB ALA A 7 -5.479 -1.644 6.515 1.00 0.00 C ATOM 0 H ALA A 7 -5.794 -1.180 9.490 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.860 -2.963 7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.144 -2.388 5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.274 -1.042 6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.643 -0.999 6.786 1.00 0.00 H new ATOM 84 N ILE A 8 -4.908 -4.513 7.865 1.00 0.00 N ATOM 85 CA ILE A 8 -3.933 -5.492 8.330 1.00 0.00 C ATOM 86 C ILE A 8 -2.741 -5.576 7.392 1.00 0.00 C ATOM 87 O ILE A 8 -2.885 -5.498 6.171 1.00 0.00 O ATOM 88 CB ILE A 8 -4.545 -6.898 8.427 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.849 -6.867 9.206 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.570 -7.878 9.068 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.666 -8.111 8.989 1.00 0.00 C ATOM 0 H ILE A 8 -5.556 -4.867 7.161 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.614 -5.155 9.316 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.755 -7.239 7.413 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.634 -6.756 10.269 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.430 -5.995 8.906 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.030 -8.865 9.124 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.662 -7.934 8.467 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.319 -7.537 10.073 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.589 -8.045 9.565 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.905 -8.209 7.930 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.097 -8.982 9.314 1.00 0.00 H new ATOM 103 N PHE A 9 -1.568 -5.767 7.973 1.00 0.00 N ATOM 104 CA PHE A 9 -0.347 -5.901 7.201 1.00 0.00 C ATOM 105 C PHE A 9 0.585 -6.900 7.875 1.00 0.00 C ATOM 106 O PHE A 9 1.182 -6.606 8.910 1.00 0.00 O ATOM 107 CB PHE A 9 0.342 -4.548 7.039 1.00 0.00 C ATOM 108 CG PHE A 9 1.613 -4.617 6.243 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.608 -5.120 4.952 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.808 -4.181 6.786 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.777 -5.186 4.216 1.00 0.00 C ATOM 112 CE2 PHE A 9 3.980 -4.244 6.056 1.00 0.00 C ATOM 113 CZ PHE A 9 3.964 -4.747 4.770 1.00 0.00 C ATOM 0 H PHE A 9 -1.437 -5.833 8.982 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.600 -6.270 6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.345 -3.855 6.553 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.562 -4.140 8.026 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.682 -5.464 4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.826 -3.787 7.791 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.762 -5.580 3.210 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.907 -3.900 6.491 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.879 -4.797 4.198 1.00 0.00 H new ATOM 123 N GLU A 10 0.692 -8.086 7.282 1.00 0.00 N ATOM 124 CA GLU A 10 1.536 -9.151 7.812 1.00 0.00 C ATOM 125 C GLU A 10 0.865 -9.855 8.994 1.00 0.00 C ATOM 126 O GLU A 10 1.480 -10.051 10.041 1.00 0.00 O ATOM 127 CB GLU A 10 2.902 -8.606 8.228 1.00 0.00 C ATOM 128 CG GLU A 10 3.577 -7.769 7.153 1.00 0.00 C ATOM 129 CD GLU A 10 4.975 -7.330 7.547 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.333 -7.477 8.734 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.711 -6.836 6.666 1.00 0.00 O ATOM 0 H GLU A 10 0.198 -8.334 6.425 1.00 0.00 H new ATOM 0 HA GLU A 10 1.680 -9.883 7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.784 -8.001 9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.553 -9.441 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.628 -8.344 6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.968 -6.889 6.948 1.00 0.00 H new ATOM 138 N LYS A 11 -0.394 -10.253 8.807 1.00 0.00 N ATOM 139 CA LYS A 11 -1.144 -10.957 9.833 1.00 0.00 C ATOM 140 C LYS A 11 -1.340 -10.123 11.097 1.00 0.00 C ATOM 141 O LYS A 11 -1.760 -10.646 12.130 1.00 0.00 O ATOM 142 CB LYS A 11 -0.436 -12.262 10.157 1.00 0.00 C ATOM 143 CG LYS A 11 -0.798 -13.384 9.203 1.00 0.00 C ATOM 144 CD LYS A 11 -1.976 -14.195 9.717 1.00 0.00 C ATOM 145 CE LYS A 11 -1.515 -15.439 10.460 1.00 0.00 C ATOM 146 NZ LYS A 11 -2.658 -16.313 10.842 1.00 0.00 N ATOM 0 H LYS A 11 -0.915 -10.095 7.944 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.141 -11.158 9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.642 -12.101 10.128 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.687 -12.562 11.174 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.041 -12.967 8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.063 -14.038 9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.582 -13.578 10.380 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.612 -14.484 8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.822 -16.001 9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.968 -15.145 11.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.302 -17.150 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.306 -15.786 11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.166 -16.615 9.986 1.00 0.00 H new ATOM 160 N VAL A 12 -1.069 -8.824 11.013 1.00 0.00 N ATOM 161 CA VAL A 12 -1.255 -7.939 12.142 1.00 0.00 C ATOM 162 C VAL A 12 -2.166 -6.794 11.732 1.00 0.00 C ATOM 163 O VAL A 12 -2.065 -6.289 10.616 1.00 0.00 O ATOM 164 CB VAL A 12 0.086 -7.394 12.671 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.140 -6.417 13.816 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.989 -8.537 13.109 1.00 0.00 C ATOM 0 H VAL A 12 -0.720 -8.367 10.171 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.712 -8.507 12.952 1.00 0.00 H new ATOM 0 HB VAL A 12 0.580 -6.856 11.862 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.821 -6.046 14.173 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.745 -5.580 13.466 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.658 -6.924 14.630 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.932 -8.134 13.480 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.500 -9.104 13.901 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.183 -9.193 12.260 1.00 0.00 H new ATOM 176 N SER A 13 -3.073 -6.406 12.615 1.00 0.00 N ATOM 177 CA SER A 13 -4.012 -5.338 12.303 1.00 0.00 C ATOM 178 C SER A 13 -3.602 -4.020 12.941 1.00 0.00 C ATOM 179 O SER A 13 -3.037 -3.986 14.035 1.00 0.00 O ATOM 180 CB SER A 13 -5.422 -5.719 12.756 1.00 0.00 C ATOM 181 OG SER A 13 -6.371 -4.752 12.342 1.00 0.00 O ATOM 0 H SER A 13 -3.179 -6.810 13.546 1.00 0.00 H new ATOM 0 HA SER A 13 -4.003 -5.203 11.221 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.688 -6.693 12.345 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.445 -5.814 13.842 1.00 0.00 H new ATOM 0 HG SER A 13 -7.264 -5.020 12.643 1.00 0.00 H new ATOM 187 N GLY A 14 -3.901 -2.939 12.237 1.00 0.00 N ATOM 188 CA GLY A 14 -3.578 -1.613 12.715 1.00 0.00 C ATOM 189 C GLY A 14 -4.304 -0.548 11.921 1.00 0.00 C ATOM 190 O GLY A 14 -5.058 -0.863 11.001 1.00 0.00 O ATOM 0 H GLY A 14 -4.368 -2.959 11.331 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.845 -1.529 13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.502 -1.451 12.645 1.00 0.00 H new ATOM 194 N ILE A 15 -4.084 0.711 12.267 1.00 0.00 N ATOM 195 CA ILE A 15 -4.734 1.806 11.567 1.00 0.00 C ATOM 196 C ILE A 15 -3.860 2.331 10.434 1.00 0.00 C ATOM 197 O ILE A 15 -2.691 2.659 10.630 1.00 0.00 O ATOM 198 CB ILE A 15 -5.103 2.949 12.532 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.138 2.438 13.547 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.621 4.162 11.764 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.457 3.186 13.534 1.00 0.00 C ATOM 0 H ILE A 15 -3.464 0.998 13.024 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.655 1.414 11.137 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.213 3.271 13.072 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.331 1.384 13.350 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.709 2.502 14.547 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.875 4.956 12.466 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.850 4.516 11.080 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.509 3.882 11.197 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.125 2.758 14.281 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.282 4.237 13.764 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.913 3.102 12.548 1.00 0.00 H new ATOM 213 N ILE A 16 -4.447 2.387 9.246 1.00 0.00 N ATOM 214 CA ILE A 16 -3.752 2.844 8.059 1.00 0.00 C ATOM 215 C ILE A 16 -4.137 4.283 7.723 1.00 0.00 C ATOM 216 O ILE A 16 -5.310 4.593 7.519 1.00 0.00 O ATOM 217 CB ILE A 16 -4.084 1.906 6.869 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.879 1.027 6.546 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.537 2.688 5.639 1.00 0.00 C ATOM 220 CD1 ILE A 16 -3.041 0.193 5.293 1.00 0.00 C ATOM 0 H ILE A 16 -5.417 2.117 9.082 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.679 2.819 8.250 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.917 1.268 7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.999 1.661 6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.690 0.363 7.390 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.760 1.994 4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.432 3.262 5.882 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.744 3.367 5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.142 -0.403 5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.900 -0.469 5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.198 0.849 4.437 1.00 0.00 H new ATOM 232 N ALA A 17 -3.135 5.153 7.657 1.00 0.00 N ATOM 233 CA ALA A 17 -3.362 6.555 7.337 1.00 0.00 C ATOM 234 C ALA A 17 -2.543 6.967 6.121 1.00 0.00 C ATOM 235 O ALA A 17 -1.405 6.533 5.952 1.00 0.00 O ATOM 236 CB ALA A 17 -3.024 7.438 8.526 1.00 0.00 C ATOM 0 H ALA A 17 -2.158 4.911 7.821 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.419 6.683 7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.201 8.482 8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.653 7.164 9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.976 7.303 8.793 1.00 0.00 H new ATOM 242 N ILE A 18 -3.131 7.804 5.277 1.00 0.00 N ATOM 243 CA ILE A 18 -2.457 8.269 4.077 1.00 0.00 C ATOM 244 C ILE A 18 -2.007 9.720 4.237 1.00 0.00 C ATOM 245 O ILE A 18 -2.829 10.635 4.278 1.00 0.00 O ATOM 246 CB ILE A 18 -3.385 8.127 2.845 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.091 6.818 2.113 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.246 9.310 1.898 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.189 6.397 1.162 1.00 0.00 C ATOM 0 H ILE A 18 -4.073 8.174 5.403 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.573 7.650 3.921 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.415 8.112 3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.160 6.924 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.935 6.028 2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.912 9.174 1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.510 10.229 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.216 9.376 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.912 5.460 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.117 6.258 1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.330 7.168 0.405 1.00 0.00 H new ATOM 261 N ASN A 19 -0.697 9.919 4.326 1.00 0.00 N ATOM 262 CA ASN A 19 -0.139 11.256 4.475 1.00 0.00 C ATOM 263 C ASN A 19 0.424 11.749 3.148 1.00 0.00 C ATOM 264 O ASN A 19 1.445 11.249 2.671 1.00 0.00 O ATOM 265 CB ASN A 19 0.956 11.258 5.543 1.00 0.00 C ATOM 266 CG ASN A 19 1.328 12.659 5.987 1.00 0.00 C ATOM 267 OD1 ASN A 19 0.599 13.618 5.731 1.00 0.00 O ATOM 268 ND2 ASN A 19 2.469 12.785 6.657 1.00 0.00 N ATOM 0 H ASN A 19 -0.003 9.172 4.298 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.937 11.930 4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.619 10.684 6.406 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.841 10.756 5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.771 13.704 6.981 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.042 11.963 6.847 1.00 0.00 H new ATOM 275 N GLU A 20 -0.245 12.730 2.555 1.00 0.00 N ATOM 276 CA GLU A 20 0.188 13.285 1.280 1.00 0.00 C ATOM 277 C GLU A 20 1.185 14.423 1.482 1.00 0.00 C ATOM 278 O GLU A 20 1.859 14.840 0.541 1.00 0.00 O ATOM 279 CB GLU A 20 -1.016 13.781 0.478 1.00 0.00 C ATOM 280 CG GLU A 20 -2.012 12.685 0.135 1.00 0.00 C ATOM 281 CD GLU A 20 -3.168 13.188 -0.708 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.299 14.420 -0.864 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.944 12.348 -1.212 1.00 0.00 O ATOM 0 H GLU A 20 -1.089 13.157 2.937 1.00 0.00 H new ATOM 0 HA GLU A 20 0.685 12.491 0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.526 14.558 1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.663 14.241 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.498 11.887 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.401 12.252 1.056 1.00 0.00 H new ATOM 290 N ASP A 21 1.282 14.920 2.714 1.00 0.00 N ATOM 291 CA ASP A 21 2.207 16.005 3.025 1.00 0.00 C ATOM 292 C ASP A 21 3.616 15.666 2.552 1.00 0.00 C ATOM 293 O ASP A 21 4.426 16.554 2.283 1.00 0.00 O ATOM 294 CB ASP A 21 2.214 16.285 4.529 1.00 0.00 C ATOM 295 CG ASP A 21 0.916 16.907 5.009 1.00 0.00 C ATOM 296 OD1 ASP A 21 0.120 17.355 4.156 1.00 0.00 O ATOM 297 OD2 ASP A 21 0.694 16.946 6.238 1.00 0.00 O ATOM 0 H ASP A 21 0.734 14.590 3.508 1.00 0.00 H new ATOM 0 HA ASP A 21 1.870 16.899 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.388 15.354 5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.043 16.951 4.768 1.00 0.00 H new ATOM 302 N VAL A 22 3.897 14.372 2.445 1.00 0.00 N ATOM 303 CA VAL A 22 5.197 13.904 1.999 1.00 0.00 C ATOM 304 C VAL A 22 5.277 13.893 0.479 1.00 0.00 C ATOM 305 O VAL A 22 4.260 13.776 -0.206 1.00 0.00 O ATOM 306 CB VAL A 22 5.504 12.495 2.521 1.00 0.00 C ATOM 307 CG1 VAL A 22 7.006 12.268 2.599 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.848 12.254 3.874 1.00 0.00 C ATOM 0 H VAL A 22 3.235 13.627 2.663 1.00 0.00 H new ATOM 0 HA VAL A 22 5.935 14.597 2.402 1.00 0.00 H new ATOM 0 HB VAL A 22 5.085 11.777 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.203 11.263 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.443 12.379 1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.450 12.999 3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.083 11.247 4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.223 12.981 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.767 12.361 3.779 1.00 0.00 H new ATOM 318 N SER A 23 6.489 14.013 -0.047 1.00 0.00 N ATOM 319 CA SER A 23 6.697 14.014 -1.489 1.00 0.00 C ATOM 320 C SER A 23 7.918 13.174 -1.863 1.00 0.00 C ATOM 321 O SER A 23 9.055 13.582 -1.618 1.00 0.00 O ATOM 322 CB SER A 23 6.868 15.444 -2.000 1.00 0.00 C ATOM 323 OG SER A 23 7.372 16.293 -0.984 1.00 0.00 O ATOM 0 H SER A 23 7.342 14.111 0.503 1.00 0.00 H new ATOM 0 HA SER A 23 5.818 13.573 -1.959 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.547 15.450 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.909 15.824 -2.353 1.00 0.00 H new ATOM 0 HG SER A 23 7.474 17.201 -1.337 1.00 0.00 H new ATOM 329 N PRO A 24 7.707 11.987 -2.461 1.00 0.00 N ATOM 330 CA PRO A 24 6.370 11.464 -2.771 1.00 0.00 C ATOM 331 C PRO A 24 5.590 11.079 -1.518 1.00 0.00 C ATOM 332 O PRO A 24 6.173 10.683 -0.508 1.00 0.00 O ATOM 333 CB PRO A 24 6.658 10.224 -3.619 1.00 0.00 C ATOM 334 CG PRO A 24 8.025 9.796 -3.212 1.00 0.00 C ATOM 335 CD PRO A 24 8.771 11.059 -2.885 1.00 0.00 C ATOM 0 HA PRO A 24 5.752 12.208 -3.274 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.926 9.438 -3.433 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.616 10.454 -4.684 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.986 9.131 -2.349 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.518 9.248 -4.015 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.503 10.899 -2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.314 11.440 -3.750 1.00 0.00 H new ATOM 343 N ALA A 25 4.267 11.195 -1.594 1.00 0.00 N ATOM 344 CA ALA A 25 3.400 10.856 -0.469 1.00 0.00 C ATOM 345 C ALA A 25 3.666 9.437 0.019 1.00 0.00 C ATOM 346 O ALA A 25 4.419 8.689 -0.607 1.00 0.00 O ATOM 347 CB ALA A 25 1.937 11.014 -0.864 1.00 0.00 C ATOM 0 H ALA A 25 3.771 11.521 -2.424 1.00 0.00 H new ATOM 0 HA ALA A 25 3.621 11.542 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.302 10.758 -0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.749 12.046 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.712 10.351 -1.699 1.00 0.00 H new ATOM 353 N GLU A 26 3.052 9.068 1.140 1.00 0.00 N ATOM 354 CA GLU A 26 3.242 7.733 1.703 1.00 0.00 C ATOM 355 C GLU A 26 2.031 7.290 2.522 1.00 0.00 C ATOM 356 O GLU A 26 1.217 8.111 2.947 1.00 0.00 O ATOM 357 CB GLU A 26 4.496 7.703 2.576 1.00 0.00 C ATOM 358 CG GLU A 26 5.777 7.991 1.810 1.00 0.00 C ATOM 359 CD GLU A 26 7.015 7.893 2.682 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.868 7.863 3.922 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.131 7.846 2.124 1.00 0.00 O ATOM 0 H GLU A 26 2.423 9.669 1.673 1.00 0.00 H new ATOM 0 HA GLU A 26 3.360 7.038 0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.389 8.435 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.577 6.724 3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.865 7.289 0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.720 8.990 1.378 1.00 0.00 H new ATOM 368 N LEU A 27 1.928 5.982 2.740 1.00 0.00 N ATOM 369 CA LEU A 27 0.829 5.406 3.510 1.00 0.00 C ATOM 370 C LEU A 27 1.350 4.816 4.820 1.00 0.00 C ATOM 371 O LEU A 27 2.155 3.886 4.814 1.00 0.00 O ATOM 372 CB LEU A 27 0.125 4.325 2.686 1.00 0.00 C ATOM 373 CG LEU A 27 -0.776 3.381 3.483 1.00 0.00 C ATOM 374 CD1 LEU A 27 -1.839 4.168 4.232 1.00 0.00 C ATOM 375 CD2 LEU A 27 -1.414 2.352 2.563 1.00 0.00 C ATOM 0 H LEU A 27 2.598 5.296 2.391 1.00 0.00 H new ATOM 0 HA LEU A 27 0.114 6.194 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.475 4.811 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.882 3.732 2.173 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.165 2.852 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.472 3.481 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.359 4.864 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.449 4.724 3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.052 1.688 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.014 2.861 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.634 1.768 2.074 1.00 0.00 H new ATOM 387 N THR A 28 0.905 5.376 5.940 1.00 0.00 N ATOM 388 CA THR A 28 1.333 4.933 7.241 1.00 0.00 C ATOM 389 C THR A 28 0.423 3.841 7.801 1.00 0.00 C ATOM 390 O THR A 28 -0.786 3.839 7.566 1.00 0.00 O ATOM 391 CB THR A 28 1.335 6.137 8.167 1.00 0.00 C ATOM 392 OG1 THR A 28 1.186 7.340 7.431 1.00 0.00 O ATOM 393 CG2 THR A 28 2.594 6.257 8.975 1.00 0.00 C ATOM 0 H THR A 28 0.239 6.148 5.960 1.00 0.00 H new ATOM 0 HA THR A 28 2.331 4.501 7.160 1.00 0.00 H new ATOM 0 HB THR A 28 0.495 5.982 8.844 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.188 8.103 8.047 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.533 7.137 9.616 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.717 5.367 9.592 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.448 6.355 8.305 1.00 0.00 H new ATOM 401 N TRP A 29 1.021 2.923 8.552 1.00 0.00 N ATOM 402 CA TRP A 29 0.292 1.829 9.167 1.00 0.00 C ATOM 403 C TRP A 29 0.711 1.662 10.621 1.00 0.00 C ATOM 404 O TRP A 29 1.823 1.224 10.907 1.00 0.00 O ATOM 405 CB TRP A 29 0.549 0.521 8.423 1.00 0.00 C ATOM 406 CG TRP A 29 -0.182 -0.635 9.027 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.516 -0.697 9.283 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.374 -1.880 9.469 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.836 -1.913 9.837 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.692 -2.655 9.962 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.663 -2.422 9.489 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.510 -3.935 10.466 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.841 -3.699 9.993 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.756 -4.443 10.475 1.00 0.00 C ATOM 0 H TRP A 29 2.022 2.919 8.749 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.770 2.068 9.118 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.247 0.634 7.382 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.619 0.311 8.424 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.222 0.095 9.080 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.772 -2.213 10.110 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.504 -1.855 9.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.344 -4.511 10.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.832 -4.128 10.015 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.925 -5.437 10.861 1.00 0.00 H new ATOM 425 N ARG A 30 -0.185 1.996 11.535 1.00 0.00 N ATOM 426 CA ARG A 30 0.109 1.858 12.955 1.00 0.00 C ATOM 427 C ARG A 30 -0.594 0.628 13.515 1.00 0.00 C ATOM 428 O ARG A 30 -1.801 0.466 13.345 1.00 0.00 O ATOM 429 CB ARG A 30 -0.332 3.110 13.718 1.00 0.00 C ATOM 430 CG ARG A 30 0.085 3.108 15.180 1.00 0.00 C ATOM 431 CD ARG A 30 -0.434 4.336 15.911 1.00 0.00 C ATOM 432 NE ARG A 30 0.197 5.566 15.435 1.00 0.00 N ATOM 433 CZ ARG A 30 -0.255 6.289 14.413 1.00 0.00 C ATOM 434 NH1 ARG A 30 -1.342 5.915 13.749 1.00 0.00 N ATOM 435 NH2 ARG A 30 0.384 7.395 14.052 1.00 0.00 N ATOM 0 H ARG A 30 -1.114 2.361 11.324 1.00 0.00 H new ATOM 0 HA ARG A 30 1.185 1.739 13.078 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.088 3.990 13.230 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.417 3.199 13.658 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.293 2.208 15.666 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.172 3.075 15.249 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.513 4.408 15.778 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.251 4.225 16.980 1.00 0.00 H new ATOM 0 HE ARG A 30 1.036 5.890 15.916 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.839 5.067 14.021 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.680 6.476 12.967 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.220 7.689 14.557 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.039 7.951 13.269 1.00 0.00 H new ATOM 449 N SER A 31 0.159 -0.245 14.178 1.00 0.00 N ATOM 450 CA SER A 31 -0.409 -1.456 14.743 1.00 0.00 C ATOM 451 C SER A 31 -1.486 -1.121 15.763 1.00 0.00 C ATOM 452 O SER A 31 -1.536 -0.009 16.288 1.00 0.00 O ATOM 453 CB SER A 31 0.685 -2.310 15.388 1.00 0.00 C ATOM 454 OG SER A 31 0.138 -3.226 16.321 1.00 0.00 O ATOM 0 H SER A 31 1.161 -0.133 14.335 1.00 0.00 H new ATOM 0 HA SER A 31 -0.866 -2.027 13.935 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.228 -2.855 14.615 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.406 -1.664 15.889 1.00 0.00 H new ATOM 0 HG SER A 31 0.859 -3.760 16.716 1.00 0.00 H new ATOM 460 N THR A 32 -2.339 -2.096 16.046 1.00 0.00 N ATOM 461 CA THR A 32 -3.407 -1.925 17.003 1.00 0.00 C ATOM 462 C THR A 32 -2.833 -1.581 18.370 1.00 0.00 C ATOM 463 O THR A 32 -3.440 -0.854 19.156 1.00 0.00 O ATOM 464 CB THR A 32 -4.205 -3.224 17.064 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.272 -3.208 16.134 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.781 -3.524 18.421 1.00 0.00 C ATOM 0 H THR A 32 -2.305 -3.021 15.617 1.00 0.00 H new ATOM 0 HA THR A 32 -4.060 -1.107 16.700 1.00 0.00 H new ATOM 0 HB THR A 32 -3.483 -4.004 16.823 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.932 -3.430 15.242 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.334 -4.463 18.382 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.974 -3.608 19.149 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.454 -2.719 18.717 1.00 0.00 H new ATOM 474 N ASP A 33 -1.656 -2.121 18.633 1.00 0.00 N ATOM 475 CA ASP A 33 -0.970 -1.895 19.898 1.00 0.00 C ATOM 476 C ASP A 33 -0.476 -0.460 20.002 1.00 0.00 C ATOM 477 O ASP A 33 -0.436 0.121 21.087 1.00 0.00 O ATOM 478 CB ASP A 33 0.202 -2.865 20.050 1.00 0.00 C ATOM 479 CG ASP A 33 0.801 -2.838 21.443 1.00 0.00 C ATOM 480 OD1 ASP A 33 0.179 -2.240 22.345 1.00 0.00 O ATOM 481 OD2 ASP A 33 1.890 -3.419 21.633 1.00 0.00 O ATOM 0 H ASP A 33 -1.150 -2.724 17.984 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.683 -2.072 20.703 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.136 -3.876 19.823 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.973 -2.615 19.321 1.00 0.00 H new ATOM 486 N GLY A 34 -0.095 0.100 18.866 1.00 0.00 N ATOM 487 CA GLY A 34 0.401 1.460 18.834 1.00 0.00 C ATOM 488 C GLY A 34 1.875 1.535 19.172 1.00 0.00 C ATOM 489 O GLY A 34 2.364 2.566 19.632 1.00 0.00 O ATOM 0 H GLY A 34 -0.120 -0.366 17.959 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.234 1.883 17.843 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.164 2.069 19.540 1.00 0.00 H new ATOM 493 N ASP A 35 2.580 0.433 18.944 1.00 0.00 N ATOM 494 CA ASP A 35 4.008 0.368 19.225 1.00 0.00 C ATOM 495 C ASP A 35 4.820 0.231 17.941 1.00 0.00 C ATOM 496 O ASP A 35 6.014 0.531 17.916 1.00 0.00 O ATOM 497 CB ASP A 35 4.310 -0.804 20.162 1.00 0.00 C ATOM 498 CG ASP A 35 3.681 -0.629 21.530 1.00 0.00 C ATOM 499 OD1 ASP A 35 3.287 0.510 21.862 1.00 0.00 O ATOM 500 OD2 ASP A 35 3.583 -1.629 22.271 1.00 0.00 O ATOM 0 H ASP A 35 2.185 -0.428 18.565 1.00 0.00 H new ATOM 0 HA ASP A 35 4.296 1.300 19.711 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.945 -1.728 19.713 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.389 -0.908 20.272 1.00 0.00 H new ATOM 505 N LYS A 36 4.168 -0.223 16.875 1.00 0.00 N ATOM 506 CA LYS A 36 4.833 -0.396 15.591 1.00 0.00 C ATOM 507 C LYS A 36 4.119 0.396 14.502 1.00 0.00 C ATOM 508 O LYS A 36 2.899 0.317 14.359 1.00 0.00 O ATOM 509 CB LYS A 36 4.886 -1.877 15.213 1.00 0.00 C ATOM 510 CG LYS A 36 6.235 -2.522 15.480 1.00 0.00 C ATOM 511 CD LYS A 36 6.305 -3.930 14.910 1.00 0.00 C ATOM 512 CE LYS A 36 5.398 -4.883 15.671 1.00 0.00 C ATOM 513 NZ LYS A 36 6.150 -5.683 16.676 1.00 0.00 N ATOM 0 H LYS A 36 3.180 -0.477 16.876 1.00 0.00 H new ATOM 0 HA LYS A 36 5.851 -0.019 15.682 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.119 -2.414 15.771 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.644 -1.983 14.155 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.024 -1.912 15.041 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.417 -2.554 16.554 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.017 -3.913 13.859 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.333 -4.291 14.953 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.614 -4.315 16.172 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.905 -5.554 14.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.495 -6.320 17.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.882 -6.245 16.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.599 -5.044 17.363 1.00 0.00 H new ATOM 527 N VAL A 37 4.889 1.163 13.737 1.00 0.00 N ATOM 528 CA VAL A 37 4.329 1.972 12.662 1.00 0.00 C ATOM 529 C VAL A 37 5.078 1.742 11.356 1.00 0.00 C ATOM 530 O VAL A 37 6.289 1.946 11.277 1.00 0.00 O ATOM 531 CB VAL A 37 4.375 3.472 13.010 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.622 4.286 11.969 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.809 3.715 14.400 1.00 0.00 C ATOM 0 H VAL A 37 5.901 1.241 13.842 1.00 0.00 H new ATOM 0 HA VAL A 37 3.290 1.665 12.540 1.00 0.00 H new ATOM 0 HB VAL A 37 5.416 3.795 13.005 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.666 5.343 12.232 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.078 4.137 10.990 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.582 3.963 11.937 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.850 4.780 14.628 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.774 3.376 14.436 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.397 3.164 15.134 1.00 0.00 H new ATOM 543 N HIS A 38 4.348 1.318 10.330 1.00 0.00 N ATOM 544 CA HIS A 38 4.944 1.062 9.021 1.00 0.00 C ATOM 545 C HIS A 38 4.521 2.113 8.011 1.00 0.00 C ATOM 546 O HIS A 38 3.382 2.571 8.006 1.00 0.00 O ATOM 547 CB HIS A 38 4.564 -0.320 8.505 1.00 0.00 C ATOM 548 CG HIS A 38 5.130 -0.638 7.153 1.00 0.00 C ATOM 549 ND1 HIS A 38 5.995 -1.688 6.925 1.00 0.00 N ATOM 550 CD2 HIS A 38 4.945 -0.039 5.953 1.00 0.00 C ATOM 551 CE1 HIS A 38 6.317 -1.721 5.643 1.00 0.00 C ATOM 552 NE2 HIS A 38 5.693 -0.731 5.032 1.00 0.00 N ATOM 0 H HIS A 38 3.344 1.144 10.378 1.00 0.00 H new ATOM 0 HA HIS A 38 6.026 1.108 9.146 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.906 -1.070 9.218 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.477 -0.395 8.461 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.325 0.823 5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.978 -2.436 5.175 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.756 -0.515 4.037 1.00 0.00 H new ATOM 561 N THR A 39 5.452 2.484 7.155 1.00 0.00 N ATOM 562 CA THR A 39 5.192 3.481 6.122 1.00 0.00 C ATOM 563 C THR A 39 5.369 2.875 4.734 1.00 0.00 C ATOM 564 O THR A 39 6.353 2.185 4.468 1.00 0.00 O ATOM 565 CB THR A 39 6.127 4.680 6.293 1.00 0.00 C ATOM 566 OG1 THR A 39 6.149 5.110 7.643 1.00 0.00 O ATOM 567 CG2 THR A 39 5.738 5.868 5.440 1.00 0.00 C ATOM 0 H THR A 39 6.401 2.111 7.150 1.00 0.00 H new ATOM 0 HA THR A 39 4.161 3.819 6.225 1.00 0.00 H new ATOM 0 HB THR A 39 7.108 4.329 5.974 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.754 5.876 7.732 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.442 6.683 5.609 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.759 5.583 4.388 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.733 6.195 5.708 1.00 0.00 H new ATOM 575 N VAL A 40 4.408 3.135 3.855 1.00 0.00 N ATOM 576 CA VAL A 40 4.456 2.611 2.495 1.00 0.00 C ATOM 577 C VAL A 40 4.574 3.737 1.474 1.00 0.00 C ATOM 578 O VAL A 40 3.995 4.808 1.646 1.00 0.00 O ATOM 579 CB VAL A 40 3.200 1.778 2.169 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.351 1.084 0.825 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.926 0.769 3.271 1.00 0.00 C ATOM 0 H VAL A 40 3.587 3.705 4.059 1.00 0.00 H new ATOM 0 HA VAL A 40 5.338 1.973 2.436 1.00 0.00 H new ATOM 0 HB VAL A 40 2.347 2.453 2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.454 0.501 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.491 1.831 0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.216 0.421 0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.036 0.191 3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.779 0.097 3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.766 1.293 4.213 1.00 0.00 H new ATOM 591 N VAL A 41 5.319 3.480 0.405 1.00 0.00 N ATOM 592 CA VAL A 41 5.504 4.468 -0.649 1.00 0.00 C ATOM 593 C VAL A 41 4.431 4.313 -1.719 1.00 0.00 C ATOM 594 O VAL A 41 4.249 3.233 -2.281 1.00 0.00 O ATOM 595 CB VAL A 41 6.892 4.343 -1.303 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.130 5.489 -2.275 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.980 4.300 -0.241 1.00 0.00 C ATOM 0 H VAL A 41 5.804 2.597 0.246 1.00 0.00 H new ATOM 0 HA VAL A 41 5.424 5.452 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 41 6.927 3.409 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.116 5.384 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.369 5.469 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.076 6.437 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.954 4.211 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.948 5.216 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.818 3.442 0.411 1.00 0.00 H new ATOM 607 N LEU A 42 3.711 5.397 -1.987 1.00 0.00 N ATOM 608 CA LEU A 42 2.645 5.381 -2.981 1.00 0.00 C ATOM 609 C LEU A 42 3.171 5.698 -4.380 1.00 0.00 C ATOM 610 O LEU A 42 2.463 5.517 -5.370 1.00 0.00 O ATOM 611 CB LEU A 42 1.554 6.379 -2.590 1.00 0.00 C ATOM 612 CG LEU A 42 1.156 6.348 -1.112 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.006 7.294 -0.851 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.800 4.931 -0.684 1.00 0.00 C ATOM 0 H LEU A 42 3.847 6.298 -1.529 1.00 0.00 H new ATOM 0 HA LEU A 42 2.227 4.375 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.894 7.384 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.668 6.183 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 42 2.008 6.681 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.274 7.258 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.285 8.310 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.863 6.993 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.520 4.929 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.036 4.569 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.661 4.279 -0.832 1.00 0.00 H new ATOM 626 N SER A 43 4.414 6.168 -4.461 1.00 0.00 N ATOM 627 CA SER A 43 5.017 6.499 -5.745 1.00 0.00 C ATOM 628 C SER A 43 5.506 5.242 -6.453 1.00 0.00 C ATOM 629 O SER A 43 5.552 5.187 -7.681 1.00 0.00 O ATOM 630 CB SER A 43 6.180 7.474 -5.553 1.00 0.00 C ATOM 631 OG SER A 43 7.212 6.894 -4.775 1.00 0.00 O ATOM 0 H SER A 43 5.019 6.327 -3.655 1.00 0.00 H new ATOM 0 HA SER A 43 4.255 6.973 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.576 7.768 -6.525 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.821 8.381 -5.067 1.00 0.00 H new ATOM 0 HG SER A 43 8.076 7.271 -5.044 1.00 0.00 H new ATOM 637 N THR A 44 5.866 4.231 -5.668 1.00 0.00 N ATOM 638 CA THR A 44 6.348 2.974 -6.222 1.00 0.00 C ATOM 639 C THR A 44 5.185 2.090 -6.664 1.00 0.00 C ATOM 640 O THR A 44 5.343 1.220 -7.519 1.00 0.00 O ATOM 641 CB THR A 44 7.210 2.233 -5.198 1.00 0.00 C ATOM 642 OG1 THR A 44 7.724 1.033 -5.749 1.00 0.00 O ATOM 643 CG2 THR A 44 6.461 1.874 -3.933 1.00 0.00 C ATOM 0 H THR A 44 5.833 4.259 -4.649 1.00 0.00 H new ATOM 0 HA THR A 44 6.957 3.204 -7.096 1.00 0.00 H new ATOM 0 HB THR A 44 8.012 2.925 -4.942 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.274 0.575 -5.079 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.130 1.351 -3.250 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.095 2.783 -3.457 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.618 1.229 -4.180 1.00 0.00 H new ATOM 651 N ILE A 45 4.016 2.324 -6.077 1.00 0.00 N ATOM 652 CA ILE A 45 2.824 1.554 -6.409 1.00 0.00 C ATOM 653 C ILE A 45 2.436 1.751 -7.870 1.00 0.00 C ATOM 654 O ILE A 45 1.690 2.670 -8.207 1.00 0.00 O ATOM 655 CB ILE A 45 1.634 1.946 -5.513 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.042 1.918 -4.039 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.455 1.018 -5.761 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.640 0.598 -3.600 1.00 0.00 C ATOM 0 H ILE A 45 3.869 3.042 -5.368 1.00 0.00 H new ATOM 0 HA ILE A 45 3.065 0.505 -6.238 1.00 0.00 H new ATOM 0 HB ILE A 45 1.330 2.962 -5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.764 2.713 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.168 2.133 -3.425 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.378 1.308 -5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.151 1.088 -6.805 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.746 -0.008 -5.535 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.905 0.652 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.912 -0.199 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.534 0.390 -4.188 1.00 0.00 H new ATOM 670 N ASP A 46 2.947 0.879 -8.731 1.00 0.00 N ATOM 671 CA ASP A 46 2.657 0.956 -10.157 1.00 0.00 C ATOM 672 C ASP A 46 1.166 0.780 -10.423 1.00 0.00 C ATOM 673 O ASP A 46 0.631 1.324 -11.389 1.00 0.00 O ATOM 674 CB ASP A 46 3.449 -0.110 -10.917 1.00 0.00 C ATOM 675 CG ASP A 46 3.364 0.066 -12.420 1.00 0.00 C ATOM 676 OD1 ASP A 46 2.922 1.145 -12.868 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.738 -0.876 -13.151 1.00 0.00 O ATOM 0 H ASP A 46 3.564 0.111 -8.466 1.00 0.00 H new ATOM 0 HA ASP A 46 2.955 1.944 -10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.494 -0.071 -10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.074 -1.097 -10.648 1.00 0.00 H new ATOM 682 N LYS A 47 0.496 0.016 -9.563 1.00 0.00 N ATOM 683 CA LYS A 47 -0.934 -0.226 -9.717 1.00 0.00 C ATOM 684 C LYS A 47 -1.568 -0.641 -8.394 1.00 0.00 C ATOM 685 O LYS A 47 -0.871 -0.959 -7.431 1.00 0.00 O ATOM 686 CB LYS A 47 -1.176 -1.311 -10.769 1.00 0.00 C ATOM 687 CG LYS A 47 -0.724 -0.919 -12.166 1.00 0.00 C ATOM 688 CD LYS A 47 -1.186 -1.929 -13.204 1.00 0.00 C ATOM 689 CE LYS A 47 -0.470 -3.261 -13.048 1.00 0.00 C ATOM 690 NZ LYS A 47 0.614 -3.429 -14.056 1.00 0.00 N ATOM 0 H LYS A 47 0.919 -0.443 -8.757 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.398 0.705 -10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.653 -2.219 -10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.239 -1.549 -10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.119 0.066 -12.414 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.363 -0.842 -12.190 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.261 -2.081 -13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.005 -1.533 -14.203 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.048 -3.331 -12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.189 -4.074 -13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.078 -4.349 -13.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.208 -3.387 -15.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.314 -2.668 -13.943 1.00 0.00 H new ATOM 704 N LEU A 48 -2.898 -0.637 -8.359 1.00 0.00 N ATOM 705 CA LEU A 48 -3.634 -1.017 -7.160 1.00 0.00 C ATOM 706 C LEU A 48 -4.525 -2.223 -7.434 1.00 0.00 C ATOM 707 O LEU A 48 -5.235 -2.267 -8.440 1.00 0.00 O ATOM 708 CB LEU A 48 -4.484 0.155 -6.662 1.00 0.00 C ATOM 709 CG LEU A 48 -3.805 1.052 -5.627 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.031 2.165 -6.314 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.834 1.629 -4.665 1.00 0.00 C ATOM 0 H LEU A 48 -3.487 -0.374 -9.149 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.911 -1.285 -6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.770 0.766 -7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.404 -0.240 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.101 0.448 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.554 2.794 -5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.269 1.732 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.714 2.768 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.333 2.265 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.562 2.219 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.345 0.816 -4.148 1.00 0.00 H new ATOM 723 N GLN A 49 -4.485 -3.200 -6.534 1.00 0.00 N ATOM 724 CA GLN A 49 -5.292 -4.407 -6.682 1.00 0.00 C ATOM 725 C GLN A 49 -6.165 -4.631 -5.451 1.00 0.00 C ATOM 726 O GLN A 49 -5.743 -4.375 -4.324 1.00 0.00 O ATOM 727 CB GLN A 49 -4.392 -5.622 -6.913 1.00 0.00 C ATOM 728 CG GLN A 49 -3.527 -5.507 -8.158 1.00 0.00 C ATOM 729 CD GLN A 49 -2.827 -6.806 -8.503 1.00 0.00 C ATOM 730 OE1 GLN A 49 -2.987 -7.338 -9.601 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.045 -7.325 -7.563 1.00 0.00 N ATOM 0 H GLN A 49 -3.904 -3.180 -5.696 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.942 -4.277 -7.547 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.748 -5.758 -6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.013 -6.514 -6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.147 -5.198 -9.000 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.782 -4.726 -8.007 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.941 -6.850 -6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.548 -8.199 -7.738 1.00 0.00 H new ATOM 740 N ALA A 50 -7.386 -5.109 -5.675 1.00 0.00 N ATOM 741 CA ALA A 50 -8.318 -5.367 -4.585 1.00 0.00 C ATOM 742 C ALA A 50 -9.120 -6.638 -4.837 1.00 0.00 C ATOM 743 O ALA A 50 -9.304 -7.051 -5.981 1.00 0.00 O ATOM 744 CB ALA A 50 -9.252 -4.180 -4.400 1.00 0.00 C ATOM 0 H ALA A 50 -7.752 -5.325 -6.602 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.741 -5.509 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.944 -4.385 -3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.668 -3.290 -4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.815 -4.013 -5.318 1.00 0.00 H new ATOM 750 N THR A 51 -9.594 -7.256 -3.760 1.00 0.00 N ATOM 751 CA THR A 51 -10.377 -8.482 -3.865 1.00 0.00 C ATOM 752 C THR A 51 -11.756 -8.199 -4.458 1.00 0.00 C ATOM 753 O THR A 51 -12.356 -7.160 -4.186 1.00 0.00 O ATOM 754 CB THR A 51 -10.524 -9.136 -2.490 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.742 -8.158 -1.489 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.317 -9.951 -2.082 1.00 0.00 C ATOM 0 H THR A 51 -9.450 -6.928 -2.805 1.00 0.00 H new ATOM 0 HA THR A 51 -9.849 -9.165 -4.530 1.00 0.00 H new ATOM 0 HB THR A 51 -11.380 -9.805 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.683 -7.884 -1.499 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.488 -10.387 -1.098 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.154 -10.748 -2.808 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.438 -9.307 -2.046 1.00 0.00 H new ATOM 764 N PRO A 52 -12.279 -9.127 -5.281 1.00 0.00 N ATOM 765 CA PRO A 52 -13.593 -8.970 -5.911 1.00 0.00 C ATOM 766 C PRO A 52 -14.738 -9.160 -4.922 1.00 0.00 C ATOM 767 O PRO A 52 -14.547 -9.692 -3.829 1.00 0.00 O ATOM 768 CB PRO A 52 -13.610 -10.074 -6.967 1.00 0.00 C ATOM 769 CG PRO A 52 -12.703 -11.123 -6.427 1.00 0.00 C ATOM 770 CD PRO A 52 -11.631 -10.397 -5.662 1.00 0.00 C ATOM 0 HA PRO A 52 -13.734 -7.968 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.617 -10.461 -7.120 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.260 -9.706 -7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.246 -11.811 -5.779 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.272 -11.717 -7.233 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.310 -10.962 -4.787 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.745 -10.228 -6.275 1.00 0.00 H new ATOM 778 N ALA A 53 -15.930 -8.720 -5.314 1.00 0.00 N ATOM 779 CA ALA A 53 -17.109 -8.841 -4.464 1.00 0.00 C ATOM 780 C ALA A 53 -17.548 -10.297 -4.317 1.00 0.00 C ATOM 781 O ALA A 53 -18.378 -10.618 -3.467 1.00 0.00 O ATOM 782 CB ALA A 53 -18.247 -7.999 -5.021 1.00 0.00 C ATOM 0 H ALA A 53 -16.105 -8.276 -6.216 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.845 -8.473 -3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.121 -8.098 -4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.941 -6.954 -5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.495 -8.342 -6.026 1.00 0.00 H new ATOM 788 N SER A 54 -16.992 -11.174 -5.149 1.00 0.00 N ATOM 789 CA SER A 54 -17.335 -12.591 -5.105 1.00 0.00 C ATOM 790 C SER A 54 -16.421 -13.355 -4.146 1.00 0.00 C ATOM 791 O SER A 54 -16.571 -14.563 -3.964 1.00 0.00 O ATOM 792 CB SER A 54 -17.243 -13.200 -6.503 1.00 0.00 C ATOM 793 OG SER A 54 -17.900 -14.455 -6.560 1.00 0.00 O ATOM 0 H SER A 54 -16.303 -10.928 -5.860 1.00 0.00 H new ATOM 0 HA SER A 54 -18.359 -12.675 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.689 -12.520 -7.229 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.196 -13.322 -6.781 1.00 0.00 H new ATOM 0 HG SER A 54 -17.701 -14.966 -5.748 1.00 0.00 H new ATOM 799 N SER A 55 -15.477 -12.647 -3.531 1.00 0.00 N ATOM 800 CA SER A 55 -14.549 -13.262 -2.591 1.00 0.00 C ATOM 801 C SER A 55 -14.882 -12.858 -1.165 1.00 0.00 C ATOM 802 O SER A 55 -14.771 -11.688 -0.797 1.00 0.00 O ATOM 803 CB SER A 55 -13.110 -12.860 -2.924 1.00 0.00 C ATOM 804 OG SER A 55 -12.220 -13.944 -2.724 1.00 0.00 O ATOM 0 H SER A 55 -15.336 -11.646 -3.668 1.00 0.00 H new ATOM 0 HA SER A 55 -14.645 -14.344 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.053 -12.524 -3.959 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.810 -12.019 -2.299 1.00 0.00 H new ATOM 0 HG SER A 55 -11.307 -13.663 -2.945 1.00 0.00 H new ATOM 810 N GLU A 56 -15.285 -13.834 -0.360 1.00 0.00 N ATOM 811 CA GLU A 56 -15.625 -13.577 1.032 1.00 0.00 C ATOM 812 C GLU A 56 -14.449 -12.937 1.764 1.00 0.00 C ATOM 813 O GLU A 56 -14.621 -12.316 2.814 1.00 0.00 O ATOM 814 CB GLU A 56 -16.032 -14.876 1.731 1.00 0.00 C ATOM 815 CG GLU A 56 -16.547 -14.670 3.146 1.00 0.00 C ATOM 816 CD GLU A 56 -16.861 -15.977 3.851 1.00 0.00 C ATOM 817 OE1 GLU A 56 -16.641 -17.046 3.245 1.00 0.00 O ATOM 818 OE2 GLU A 56 -17.325 -15.929 5.009 1.00 0.00 O ATOM 0 H GLU A 56 -15.384 -14.808 -0.647 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.467 -12.886 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.804 -15.370 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.174 -15.548 1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.803 -14.120 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.445 -14.054 3.115 1.00 0.00 H new ATOM 825 N LYS A 57 -13.254 -13.087 1.200 1.00 0.00 N ATOM 826 CA LYS A 57 -12.050 -12.521 1.795 1.00 0.00 C ATOM 827 C LYS A 57 -11.733 -11.161 1.181 1.00 0.00 C ATOM 828 O LYS A 57 -11.506 -11.051 -0.024 1.00 0.00 O ATOM 829 CB LYS A 57 -10.864 -13.468 1.604 1.00 0.00 C ATOM 830 CG LYS A 57 -11.087 -14.848 2.204 1.00 0.00 C ATOM 831 CD LYS A 57 -11.271 -14.779 3.713 1.00 0.00 C ATOM 832 CE LYS A 57 -10.123 -15.450 4.449 1.00 0.00 C ATOM 833 NZ LYS A 57 -8.882 -14.627 4.411 1.00 0.00 N ATOM 0 H LYS A 57 -13.095 -13.596 0.331 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.229 -12.389 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.661 -13.572 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.977 -13.023 2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.966 -15.305 1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.237 -15.489 1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.343 -13.737 4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.210 -15.259 3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.410 -15.626 5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.926 -16.425 4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.123 -15.119 4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.593 -14.480 3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.062 -13.706 4.860 1.00 0.00 H new ATOM 847 N MET A 58 -11.717 -10.128 2.017 1.00 0.00 N ATOM 848 CA MET A 58 -11.428 -8.774 1.555 1.00 0.00 C ATOM 849 C MET A 58 -9.966 -8.416 1.801 1.00 0.00 C ATOM 850 O MET A 58 -9.506 -8.392 2.943 1.00 0.00 O ATOM 851 CB MET A 58 -12.340 -7.763 2.256 1.00 0.00 C ATOM 852 CG MET A 58 -12.516 -8.026 3.742 1.00 0.00 C ATOM 853 SD MET A 58 -13.192 -6.607 4.623 1.00 0.00 S ATOM 854 CE MET A 58 -14.941 -6.990 4.593 1.00 0.00 C ATOM 0 H MET A 58 -11.901 -10.202 3.018 1.00 0.00 H new ATOM 0 HA MET A 58 -11.617 -8.736 0.482 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.931 -6.762 2.119 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.318 -7.776 1.776 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.176 -8.882 3.880 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.553 -8.293 4.176 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.482 -6.269 5.206 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.307 -6.940 3.567 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.100 -7.994 4.987 1.00 0.00 H new ATOM 864 N MET A 59 -9.241 -8.140 0.722 1.00 0.00 N ATOM 865 CA MET A 59 -7.829 -7.785 0.820 1.00 0.00 C ATOM 866 C MET A 59 -7.418 -6.869 -0.330 1.00 0.00 C ATOM 867 O MET A 59 -7.887 -7.025 -1.457 1.00 0.00 O ATOM 868 CB MET A 59 -6.968 -9.049 0.808 1.00 0.00 C ATOM 869 CG MET A 59 -7.239 -9.981 1.978 1.00 0.00 C ATOM 870 SD MET A 59 -6.059 -11.342 2.068 1.00 0.00 S ATOM 871 CE MET A 59 -4.600 -10.487 2.661 1.00 0.00 C ATOM 0 H MET A 59 -9.607 -8.155 -0.230 1.00 0.00 H new ATOM 0 HA MET A 59 -7.675 -7.253 1.759 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.142 -9.588 -0.123 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.916 -8.762 0.819 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.203 -9.412 2.907 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.248 -10.385 1.890 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.863 -10.427 1.860 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.872 -9.481 2.980 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.176 -11.032 3.504 1.00 0.00 H new ATOM 881 N LEU A 60 -6.540 -5.913 -0.039 1.00 0.00 N ATOM 882 CA LEU A 60 -6.067 -4.979 -1.053 1.00 0.00 C ATOM 883 C LEU A 60 -4.573 -5.164 -1.304 1.00 0.00 C ATOM 884 O LEU A 60 -3.754 -4.974 -0.405 1.00 0.00 O ATOM 885 CB LEU A 60 -6.353 -3.538 -0.622 1.00 0.00 C ATOM 886 CG LEU A 60 -7.547 -2.880 -1.316 1.00 0.00 C ATOM 887 CD1 LEU A 60 -8.181 -1.836 -0.409 1.00 0.00 C ATOM 888 CD2 LEU A 60 -7.114 -2.252 -2.633 1.00 0.00 C ATOM 0 H LEU A 60 -6.143 -5.766 0.889 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.601 -5.184 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.525 -3.524 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.465 -2.935 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.291 -3.648 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.029 -1.378 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.524 -2.312 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.445 -1.069 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.974 -1.788 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.353 -1.495 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.704 -3.022 -3.286 1.00 0.00 H new ATOM 900 N ARG A 61 -4.228 -5.538 -2.532 1.00 0.00 N ATOM 901 CA ARG A 61 -2.834 -5.754 -2.903 1.00 0.00 C ATOM 902 C ARG A 61 -2.309 -4.604 -3.752 1.00 0.00 C ATOM 903 O ARG A 61 -2.975 -4.147 -4.680 1.00 0.00 O ATOM 904 CB ARG A 61 -2.689 -7.072 -3.666 1.00 0.00 C ATOM 905 CG ARG A 61 -1.246 -7.438 -3.978 1.00 0.00 C ATOM 906 CD ARG A 61 -1.157 -8.745 -4.752 1.00 0.00 C ATOM 907 NE ARG A 61 -1.653 -9.878 -3.973 1.00 0.00 N ATOM 908 CZ ARG A 61 -2.929 -10.260 -3.941 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.847 -9.609 -4.645 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.288 -11.302 -3.204 1.00 0.00 N ATOM 0 H ARG A 61 -4.895 -5.698 -3.287 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.245 -5.802 -1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.140 -7.873 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.248 -7.006 -4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.784 -6.639 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.683 -7.525 -3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.732 -8.660 -5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.121 -8.927 -5.038 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.981 -10.409 -3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.578 -8.809 -5.217 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.821 -9.909 -4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.588 -11.809 -2.663 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.264 -11.596 -3.178 1.00 0.00 H new ATOM 924 N LEU A 62 -1.105 -4.142 -3.430 1.00 0.00 N ATOM 925 CA LEU A 62 -0.486 -3.047 -4.163 1.00 0.00 C ATOM 926 C LEU A 62 0.788 -3.516 -4.857 1.00 0.00 C ATOM 927 O LEU A 62 1.651 -4.141 -4.242 1.00 0.00 O ATOM 928 CB LEU A 62 -0.180 -1.880 -3.223 1.00 0.00 C ATOM 929 CG LEU A 62 -1.095 -0.666 -3.390 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.515 -1.007 -2.966 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.566 0.515 -2.591 1.00 0.00 C ATOM 0 H LEU A 62 -0.539 -4.510 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.187 -2.706 -4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.251 -2.232 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.851 -1.565 -3.381 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.109 -0.387 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.152 -0.132 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.893 -1.822 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.519 -1.312 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.230 1.370 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.521 0.249 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.433 0.774 -2.943 1.00 0.00 H new ATOM 943 N ILE A 63 0.891 -3.213 -6.145 1.00 0.00 N ATOM 944 CA ILE A 63 2.053 -3.607 -6.933 1.00 0.00 C ATOM 945 C ILE A 63 3.044 -2.457 -7.071 1.00 0.00 C ATOM 946 O ILE A 63 2.669 -1.342 -7.433 1.00 0.00 O ATOM 947 CB ILE A 63 1.649 -4.083 -8.343 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.398 -4.965 -8.279 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.801 -4.833 -8.998 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.503 -6.098 -7.280 1.00 0.00 C ATOM 0 H ILE A 63 0.184 -2.695 -6.667 1.00 0.00 H new ATOM 0 HA ILE A 63 2.524 -4.432 -6.398 1.00 0.00 H new ATOM 0 HB ILE A 63 1.416 -3.208 -8.949 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.461 -4.344 -8.022 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.206 -5.381 -9.268 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.501 -5.163 -9.993 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.665 -4.173 -9.079 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.062 -5.700 -8.391 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.419 -6.679 -7.290 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.341 -6.742 -7.547 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.663 -5.690 -6.282 1.00 0.00 H new ATOM 962 N GLY A 64 4.311 -2.737 -6.787 1.00 0.00 N ATOM 963 CA GLY A 64 5.338 -1.718 -6.892 1.00 0.00 C ATOM 964 C GLY A 64 5.890 -1.600 -8.299 1.00 0.00 C ATOM 965 O GLY A 64 5.485 -2.342 -9.194 1.00 0.00 O ATOM 0 H GLY A 64 4.645 -3.652 -6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.926 -0.757 -6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.150 -1.952 -6.204 1.00 0.00 H new ATOM 969 N LYS A 65 6.815 -0.668 -8.496 1.00 0.00 N ATOM 970 CA LYS A 65 7.420 -0.459 -9.806 1.00 0.00 C ATOM 971 C LYS A 65 8.324 -1.626 -10.185 1.00 0.00 C ATOM 972 O LYS A 65 8.684 -2.447 -9.342 1.00 0.00 O ATOM 973 CB LYS A 65 8.218 0.846 -9.821 1.00 0.00 C ATOM 974 CG LYS A 65 7.446 2.019 -10.400 1.00 0.00 C ATOM 975 CD LYS A 65 8.278 3.289 -10.406 1.00 0.00 C ATOM 976 CE LYS A 65 7.466 4.485 -10.876 1.00 0.00 C ATOM 977 NZ LYS A 65 6.969 4.305 -12.268 1.00 0.00 N ATOM 0 H LYS A 65 7.162 -0.046 -7.766 1.00 0.00 H new ATOM 0 HA LYS A 65 6.617 -0.395 -10.540 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.523 1.088 -8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.130 0.699 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.134 1.783 -11.417 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.539 2.181 -9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.661 3.479 -9.403 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.142 3.156 -11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.620 4.636 -10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.080 5.384 -10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.553 5.196 -12.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.760 4.035 -12.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.246 3.558 -12.285 1.00 0.00 H new ATOM 991 N VAL A 66 8.686 -1.690 -11.462 1.00 0.00 N ATOM 992 CA VAL A 66 9.548 -2.757 -11.957 1.00 0.00 C ATOM 993 C VAL A 66 10.956 -2.636 -11.385 1.00 0.00 C ATOM 994 O VAL A 66 11.572 -3.634 -11.013 1.00 0.00 O ATOM 995 CB VAL A 66 9.629 -2.745 -13.495 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.370 -3.974 -14.001 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.237 -2.666 -14.102 1.00 0.00 C ATOM 0 H VAL A 66 8.397 -1.017 -12.172 1.00 0.00 H new ATOM 0 HA VAL A 66 9.105 -3.698 -11.631 1.00 0.00 H new ATOM 0 HB VAL A 66 10.186 -1.861 -13.804 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.417 -3.948 -15.090 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.381 -3.982 -13.594 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.843 -4.873 -13.682 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.314 -2.659 -15.189 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.653 -3.530 -13.786 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.745 -1.753 -13.767 1.00 0.00 H new ATOM 1007 N ASP A 67 11.458 -1.406 -11.315 1.00 0.00 N ATOM 1008 CA ASP A 67 12.794 -1.155 -10.786 1.00 0.00 C ATOM 1009 C ASP A 67 13.855 -1.856 -11.630 1.00 0.00 C ATOM 1010 O ASP A 67 14.487 -2.814 -11.182 1.00 0.00 O ATOM 1011 CB ASP A 67 12.886 -1.626 -9.332 1.00 0.00 C ATOM 1012 CG ASP A 67 11.979 -0.835 -8.410 1.00 0.00 C ATOM 1013 OD1 ASP A 67 11.531 0.261 -8.811 1.00 0.00 O ATOM 1014 OD2 ASP A 67 11.715 -1.311 -7.285 1.00 0.00 O ATOM 0 H ASP A 67 10.960 -0.569 -11.618 1.00 0.00 H new ATOM 0 HA ASP A 67 12.978 -0.081 -10.825 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.623 -2.682 -9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.916 -1.536 -8.988 1.00 0.00 H new ATOM 1019 N GLU A 68 14.047 -1.372 -12.853 1.00 0.00 N ATOM 1020 CA GLU A 68 15.031 -1.952 -13.759 1.00 0.00 C ATOM 1021 C GLU A 68 16.215 -1.012 -13.945 1.00 0.00 C ATOM 1022 O GLU A 68 16.784 -0.916 -15.032 1.00 0.00 O ATOM 1023 CB GLU A 68 14.393 -2.263 -15.113 1.00 0.00 C ATOM 1024 CG GLU A 68 13.156 -3.140 -15.015 1.00 0.00 C ATOM 1025 CD GLU A 68 12.610 -3.532 -16.375 1.00 0.00 C ATOM 1026 OE1 GLU A 68 11.952 -2.687 -17.016 1.00 0.00 O ATOM 1027 OE2 GLU A 68 12.843 -4.684 -16.798 1.00 0.00 O ATOM 0 H GLU A 68 13.534 -0.580 -13.239 1.00 0.00 H new ATOM 0 HA GLU A 68 15.391 -2.881 -13.317 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.127 -1.327 -15.603 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.129 -2.757 -15.747 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.398 -4.041 -14.451 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.384 -2.612 -14.456 1.00 0.00 H new ATOM 1034 N SER A 69 16.582 -0.322 -12.872 1.00 0.00 N ATOM 1035 CA SER A 69 17.700 0.613 -12.910 1.00 0.00 C ATOM 1036 C SER A 69 18.938 0.013 -12.250 1.00 0.00 C ATOM 1037 O SER A 69 20.067 0.395 -12.560 1.00 0.00 O ATOM 1038 CB SER A 69 17.322 1.923 -12.215 1.00 0.00 C ATOM 1039 OG SER A 69 18.249 2.950 -12.524 1.00 0.00 O ATOM 0 H SER A 69 16.122 -0.392 -11.964 1.00 0.00 H new ATOM 0 HA SER A 69 17.932 0.817 -13.955 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.322 2.227 -12.524 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.290 1.770 -11.136 1.00 0.00 H new ATOM 0 HG SER A 69 17.985 3.777 -12.069 1.00 0.00 H new ATOM 1045 N LYS A 70 18.718 -0.927 -11.341 1.00 0.00 N ATOM 1046 CA LYS A 70 19.813 -1.583 -10.636 1.00 0.00 C ATOM 1047 C LYS A 70 20.346 -2.766 -11.436 1.00 0.00 C ATOM 1048 O LYS A 70 21.529 -3.102 -11.353 1.00 0.00 O ATOM 1049 CB LYS A 70 19.349 -2.052 -9.256 1.00 0.00 C ATOM 1050 CG LYS A 70 18.943 -0.916 -8.332 1.00 0.00 C ATOM 1051 CD LYS A 70 18.595 -1.424 -6.942 1.00 0.00 C ATOM 1052 CE LYS A 70 18.063 -0.308 -6.058 1.00 0.00 C ATOM 1053 NZ LYS A 70 19.151 0.358 -5.288 1.00 0.00 N ATOM 0 H LYS A 70 17.789 -1.254 -11.073 1.00 0.00 H new ATOM 0 HA LYS A 70 20.619 -0.859 -10.515 1.00 0.00 H new ATOM 0 HB2 LYS A 70 18.504 -2.730 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.151 -2.622 -8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.756 -0.194 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.086 -0.392 -8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.849 -2.215 -7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 70 19.480 -1.863 -6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.550 0.430 -6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.325 -0.714 -5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.747 1.113 -4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.624 -0.341 -4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.843 0.768 -5.948 1.00 0.00 H new ATOM 1067 N LYS A 71 19.468 -3.397 -12.209 1.00 0.00 N ATOM 1068 CA LYS A 71 19.852 -4.545 -13.022 1.00 0.00 C ATOM 1069 C LYS A 71 20.220 -4.111 -14.437 1.00 0.00 C ATOM 1070 O LYS A 71 19.600 -3.211 -15.004 1.00 0.00 O ATOM 1071 CB LYS A 71 18.712 -5.565 -13.071 1.00 0.00 C ATOM 1072 CG LYS A 71 18.460 -6.256 -11.741 1.00 0.00 C ATOM 1073 CD LYS A 71 17.631 -5.386 -10.809 1.00 0.00 C ATOM 1074 CE LYS A 71 17.301 -6.113 -9.515 1.00 0.00 C ATOM 1075 NZ LYS A 71 16.616 -7.411 -9.766 1.00 0.00 N ATOM 0 H LYS A 71 18.486 -3.133 -12.289 1.00 0.00 H new ATOM 0 HA LYS A 71 20.726 -5.007 -12.563 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.799 -5.062 -13.389 1.00 0.00 H new ATOM 0 HB3 LYS A 71 18.941 -6.318 -13.825 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.945 -7.201 -11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.412 -6.494 -11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.176 -4.470 -10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.708 -5.093 -11.309 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.219 -6.289 -8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.665 -5.481 -8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.333 -7.835 -8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.772 -7.250 -10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 17.264 -8.055 -10.262 1.00 0.00 H new ATOM 1089 N ARG A 72 21.234 -4.759 -15.003 1.00 0.00 N ATOM 1090 CA ARG A 72 21.686 -4.443 -16.352 1.00 0.00 C ATOM 1091 C ARG A 72 21.511 -5.642 -17.279 1.00 0.00 C ATOM 1092 O ARG A 72 22.012 -6.732 -17.001 1.00 0.00 O ATOM 1093 CB ARG A 72 23.153 -4.009 -16.333 1.00 0.00 C ATOM 1094 CG ARG A 72 24.088 -5.056 -15.754 1.00 0.00 C ATOM 1095 CD ARG A 72 25.531 -4.575 -15.753 1.00 0.00 C ATOM 1096 NE ARG A 72 26.479 -5.688 -15.741 1.00 0.00 N ATOM 1097 CZ ARG A 72 26.735 -6.433 -14.669 1.00 0.00 C ATOM 1098 NH1 ARG A 72 26.118 -6.186 -13.519 1.00 0.00 N ATOM 1099 NH2 ARG A 72 27.609 -7.426 -14.745 1.00 0.00 N ATOM 0 H ARG A 72 21.758 -5.506 -14.547 1.00 0.00 H new ATOM 0 HA ARG A 72 21.076 -3.622 -16.729 1.00 0.00 H new ATOM 0 HB2 ARG A 72 23.468 -3.775 -17.350 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.244 -3.091 -15.752 1.00 0.00 H new ATOM 0 HG2 ARG A 72 23.782 -5.295 -14.735 1.00 0.00 H new ATOM 0 HG3 ARG A 72 24.010 -5.976 -16.334 1.00 0.00 H new ATOM 0 HD2 ARG A 72 25.708 -3.957 -16.634 1.00 0.00 H new ATOM 0 HD3 ARG A 72 25.702 -3.944 -14.881 1.00 0.00 H new ATOM 0 HE ARG A 72 26.973 -5.906 -16.606 1.00 0.00 H new ATOM 0 HH11 ARG A 72 25.445 -5.422 -13.455 1.00 0.00 H new ATOM 0 HH12 ARG A 72 26.317 -6.760 -12.700 1.00 0.00 H new ATOM 0 HH21 ARG A 72 28.086 -7.619 -15.626 1.00 0.00 H new ATOM 0 HH22 ARG A 72 27.805 -7.997 -13.923 1.00 0.00 H new ATOM 1113 N LYS A 73 20.795 -5.434 -18.378 1.00 0.00 N ATOM 1114 CA LYS A 73 20.551 -6.499 -19.345 1.00 0.00 C ATOM 1115 C LYS A 73 21.496 -6.380 -20.537 1.00 0.00 C ATOM 1116 O LYS A 73 21.865 -5.277 -20.942 1.00 0.00 O ATOM 1117 CB LYS A 73 19.099 -6.459 -19.825 1.00 0.00 C ATOM 1118 CG LYS A 73 18.751 -5.206 -20.611 1.00 0.00 C ATOM 1119 CD LYS A 73 17.272 -5.160 -20.959 1.00 0.00 C ATOM 1120 CE LYS A 73 16.977 -4.089 -21.995 1.00 0.00 C ATOM 1121 NZ LYS A 73 17.240 -2.719 -21.470 1.00 0.00 N ATOM 0 H LYS A 73 20.373 -4.538 -18.622 1.00 0.00 H new ATOM 0 HA LYS A 73 20.737 -7.453 -18.851 1.00 0.00 H new ATOM 0 HB2 LYS A 73 18.907 -7.333 -20.447 1.00 0.00 H new ATOM 0 HB3 LYS A 73 18.438 -6.531 -18.961 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.016 -4.324 -20.028 1.00 0.00 H new ATOM 0 HG3 LYS A 73 19.342 -5.173 -21.526 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.956 -6.132 -21.339 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.691 -4.966 -20.058 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.589 -4.262 -22.880 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.936 -4.164 -22.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.994 -2.016 -22.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.663 -2.556 -20.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.247 -2.628 -21.227 1.00 0.00 H new ATOM 1135 N ASP A 74 21.883 -7.522 -21.094 1.00 0.00 N ATOM 1136 CA ASP A 74 22.785 -7.547 -22.241 1.00 0.00 C ATOM 1137 C ASP A 74 22.057 -7.994 -23.506 1.00 0.00 C ATOM 1138 O ASP A 74 22.517 -7.735 -24.619 1.00 0.00 O ATOM 1139 CB ASP A 74 23.969 -8.475 -21.964 1.00 0.00 C ATOM 1140 CG ASP A 74 24.900 -7.925 -20.900 1.00 0.00 C ATOM 1141 OD1 ASP A 74 24.780 -6.727 -20.567 1.00 0.00 O ATOM 1142 OD2 ASP A 74 25.748 -8.693 -20.399 1.00 0.00 O ATOM 0 H ASP A 74 21.587 -8.443 -20.770 1.00 0.00 H new ATOM 0 HA ASP A 74 23.154 -6.534 -22.400 1.00 0.00 H new ATOM 0 HB2 ASP A 74 23.597 -9.450 -21.648 1.00 0.00 H new ATOM 0 HB3 ASP A 74 24.528 -8.631 -22.887 1.00 0.00 H new ATOM 1147 N ASN A 75 20.922 -8.667 -23.329 1.00 0.00 N ATOM 1148 CA ASN A 75 20.124 -9.152 -24.456 1.00 0.00 C ATOM 1149 C ASN A 75 20.743 -10.398 -25.090 1.00 0.00 C ATOM 1150 O ASN A 75 20.215 -10.931 -26.067 1.00 0.00 O ATOM 1151 CB ASN A 75 19.972 -8.060 -25.515 1.00 0.00 C ATOM 1152 CG ASN A 75 18.792 -8.303 -26.435 1.00 0.00 C ATOM 1153 OD1 ASN A 75 17.882 -9.063 -26.107 1.00 0.00 O ATOM 1154 ND2 ASN A 75 18.803 -7.657 -27.595 1.00 0.00 N ATOM 0 H ASN A 75 20.532 -8.890 -22.413 1.00 0.00 H new ATOM 0 HA ASN A 75 19.142 -9.418 -24.066 1.00 0.00 H new ATOM 0 HB2 ASN A 75 19.852 -7.095 -25.022 1.00 0.00 H new ATOM 0 HB3 ASN A 75 20.885 -8.004 -26.108 1.00 0.00 H new ATOM 0 HD21 ASN A 75 18.036 -7.782 -28.255 1.00 0.00 H new ATOM 0 HD22 ASN A 75 19.579 -7.036 -27.826 1.00 0.00 H new ATOM 1161 N GLU A 76 21.859 -10.860 -24.536 1.00 0.00 N ATOM 1162 CA GLU A 76 22.538 -12.041 -25.058 1.00 0.00 C ATOM 1163 C GLU A 76 21.845 -13.320 -24.593 1.00 0.00 C ATOM 1164 O GLU A 76 22.450 -14.158 -23.922 1.00 0.00 O ATOM 1165 CB GLU A 76 24.004 -12.048 -24.616 1.00 0.00 C ATOM 1166 CG GLU A 76 24.833 -13.139 -25.274 1.00 0.00 C ATOM 1167 CD GLU A 76 25.048 -12.895 -26.755 1.00 0.00 C ATOM 1168 OE1 GLU A 76 24.984 -11.721 -27.179 1.00 0.00 O ATOM 1169 OE2 GLU A 76 25.283 -13.877 -27.490 1.00 0.00 O ATOM 0 H GLU A 76 22.312 -10.436 -23.727 1.00 0.00 H new ATOM 0 HA GLU A 76 22.494 -12.004 -26.146 1.00 0.00 H new ATOM 0 HB2 GLU A 76 24.448 -11.079 -24.844 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.048 -12.173 -23.534 1.00 0.00 H new ATOM 0 HG2 GLU A 76 25.800 -13.205 -24.776 1.00 0.00 H new ATOM 0 HG3 GLU A 76 24.337 -14.100 -25.136 1.00 0.00 H new ATOM 1176 N GLY A 77 20.573 -13.463 -24.954 1.00 0.00 N ATOM 1177 CA GLY A 77 19.819 -14.641 -24.567 1.00 0.00 C ATOM 1178 C GLY A 77 19.674 -14.779 -23.064 1.00 0.00 C ATOM 1179 O GLY A 77 19.405 -15.870 -22.558 1.00 0.00 O ATOM 0 H GLY A 77 20.051 -12.784 -25.508 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.829 -14.598 -25.020 1.00 0.00 H new ATOM 0 HA3 GLY A 77 20.312 -15.529 -24.963 1.00 0.00 H new ATOM 1183 N ASN A 78 19.853 -13.675 -22.346 1.00 0.00 N ATOM 1184 CA ASN A 78 19.739 -13.684 -20.890 1.00 0.00 C ATOM 1185 C ASN A 78 18.523 -12.886 -20.431 1.00 0.00 C ATOM 1186 O ASN A 78 17.941 -13.171 -19.385 1.00 0.00 O ATOM 1187 CB ASN A 78 21.009 -13.115 -20.251 1.00 0.00 C ATOM 1188 CG ASN A 78 21.520 -11.882 -20.968 1.00 0.00 C ATOM 1189 OD1 ASN A 78 20.911 -10.813 -20.900 1.00 0.00 O ATOM 1190 ND2 ASN A 78 22.642 -12.024 -21.664 1.00 0.00 N ATOM 0 H ASN A 78 20.077 -12.764 -22.747 1.00 0.00 H new ATOM 0 HA ASN A 78 19.613 -14.718 -20.570 1.00 0.00 H new ATOM 0 HB2 ASN A 78 20.807 -12.867 -19.209 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.786 -13.880 -20.252 1.00 0.00 H new ATOM 0 HD21 ASN A 78 23.032 -11.229 -22.170 1.00 0.00 H new ATOM 0 HD22 ASN A 78 23.113 -12.928 -21.693 1.00 0.00 H new ATOM 1197 N GLU A 79 18.142 -11.885 -21.220 1.00 0.00 N ATOM 1198 CA GLU A 79 16.994 -11.049 -20.890 1.00 0.00 C ATOM 1199 C GLU A 79 17.202 -10.344 -19.552 1.00 0.00 C ATOM 1200 O GLU A 79 18.286 -10.401 -18.972 1.00 0.00 O ATOM 1201 CB GLU A 79 15.718 -11.893 -20.845 1.00 0.00 C ATOM 1202 CG GLU A 79 15.447 -12.651 -22.134 1.00 0.00 C ATOM 1203 CD GLU A 79 14.129 -13.400 -22.105 1.00 0.00 C ATOM 1204 OE1 GLU A 79 13.548 -13.538 -21.008 1.00 0.00 O ATOM 1205 OE2 GLU A 79 13.678 -13.850 -23.180 1.00 0.00 O ATOM 0 H GLU A 79 18.611 -11.634 -22.090 1.00 0.00 H new ATOM 0 HA GLU A 79 16.891 -10.291 -21.667 1.00 0.00 H new ATOM 0 HB2 GLU A 79 15.791 -12.605 -20.023 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.870 -11.243 -20.629 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.444 -11.950 -22.969 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.258 -13.357 -22.313 1.00 0.00 H new ATOM 1212 N VAL A 80 16.157 -9.679 -19.067 1.00 0.00 N ATOM 1213 CA VAL A 80 16.229 -8.964 -17.799 1.00 0.00 C ATOM 1214 C VAL A 80 15.288 -9.579 -16.766 1.00 0.00 C ATOM 1215 O VAL A 80 14.187 -10.021 -17.098 1.00 0.00 O ATOM 1216 CB VAL A 80 15.882 -7.472 -17.975 1.00 0.00 C ATOM 1217 CG1 VAL A 80 14.455 -7.305 -18.478 1.00 0.00 C ATOM 1218 CG2 VAL A 80 16.088 -6.715 -16.671 1.00 0.00 C ATOM 0 H VAL A 80 15.252 -9.621 -19.533 1.00 0.00 H new ATOM 0 HA VAL A 80 17.256 -9.050 -17.444 1.00 0.00 H new ATOM 0 HB VAL A 80 16.555 -7.052 -18.722 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.232 -6.244 -18.595 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.347 -7.807 -19.440 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.762 -7.744 -17.760 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.838 -5.664 -16.817 1.00 0.00 H new ATOM 0 HG22 VAL A 80 15.445 -7.138 -15.899 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.130 -6.800 -16.361 1.00 0.00 H new ATOM 1228 N VAL A 81 15.731 -9.605 -15.513 1.00 0.00 N ATOM 1229 CA VAL A 81 14.931 -10.166 -14.430 1.00 0.00 C ATOM 1230 C VAL A 81 14.604 -9.106 -13.381 1.00 0.00 C ATOM 1231 O VAL A 81 15.300 -8.986 -12.372 1.00 0.00 O ATOM 1232 CB VAL A 81 15.654 -11.342 -13.748 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.660 -12.564 -14.653 1.00 0.00 C ATOM 1234 CG2 VAL A 81 17.073 -10.945 -13.365 1.00 0.00 C ATOM 0 H VAL A 81 16.640 -9.244 -15.223 1.00 0.00 H new ATOM 0 HA VAL A 81 14.005 -10.529 -14.876 1.00 0.00 H new ATOM 0 HB VAL A 81 15.114 -11.598 -12.837 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.175 -13.384 -14.153 1.00 0.00 H new ATOM 0 HG12 VAL A 81 14.634 -12.860 -14.872 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.175 -12.325 -15.583 1.00 0.00 H new ATOM 0 HG21 VAL A 81 17.569 -11.788 -12.884 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.626 -10.661 -14.261 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.041 -10.101 -12.676 1.00 0.00 H new ATOM 1244 N PRO A 82 13.537 -8.321 -13.606 1.00 0.00 N ATOM 1245 CA PRO A 82 13.121 -7.268 -12.673 1.00 0.00 C ATOM 1246 C PRO A 82 12.637 -7.831 -11.341 1.00 0.00 C ATOM 1247 O PRO A 82 12.167 -8.969 -11.271 1.00 0.00 O ATOM 1248 CB PRO A 82 11.972 -6.569 -13.408 1.00 0.00 C ATOM 1249 CG PRO A 82 11.459 -7.585 -14.368 1.00 0.00 C ATOM 1250 CD PRO A 82 12.652 -8.399 -14.783 1.00 0.00 C ATOM 0 HA PRO A 82 13.946 -6.603 -12.418 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.193 -6.252 -12.714 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.320 -5.675 -13.926 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.700 -8.214 -13.903 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.993 -7.108 -15.230 1.00 0.00 H new ATOM 0 HD2 PRO A 82 12.377 -9.428 -15.013 1.00 0.00 H new ATOM 0 HD3 PRO A 82 13.129 -7.990 -15.674 1.00 0.00 H new ATOM 1258 N LYS A 83 12.753 -7.031 -10.288 1.00 0.00 N ATOM 1259 CA LYS A 83 12.326 -7.450 -8.956 1.00 0.00 C ATOM 1260 C LYS A 83 11.238 -6.525 -8.417 1.00 0.00 C ATOM 1261 O LYS A 83 11.485 -5.712 -7.526 1.00 0.00 O ATOM 1262 CB LYS A 83 13.520 -7.466 -7.998 1.00 0.00 C ATOM 1263 CG LYS A 83 13.179 -7.993 -6.612 1.00 0.00 C ATOM 1264 CD LYS A 83 13.436 -6.948 -5.538 1.00 0.00 C ATOM 1265 CE LYS A 83 14.917 -6.637 -5.407 1.00 0.00 C ATOM 1266 NZ LYS A 83 15.153 -5.251 -4.912 1.00 0.00 N ATOM 0 H LYS A 83 13.139 -6.088 -10.329 1.00 0.00 H new ATOM 0 HA LYS A 83 11.916 -8.457 -9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.312 -8.080 -8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.916 -6.455 -7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.132 -8.295 -6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.773 -8.883 -6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.891 -6.035 -5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.052 -7.305 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.378 -7.350 -4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.402 -6.764 -6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.176 -5.079 -4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.735 -4.569 -5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.713 -5.137 -3.977 1.00 0.00 H new ATOM 1280 N PRO A 84 10.010 -6.636 -8.954 1.00 0.00 N ATOM 1281 CA PRO A 84 8.880 -5.807 -8.522 1.00 0.00 C ATOM 1282 C PRO A 84 8.431 -6.131 -7.102 1.00 0.00 C ATOM 1283 O PRO A 84 8.175 -7.289 -6.769 1.00 0.00 O ATOM 1284 CB PRO A 84 7.776 -6.157 -9.524 1.00 0.00 C ATOM 1285 CG PRO A 84 8.128 -7.519 -10.016 1.00 0.00 C ATOM 1286 CD PRO A 84 9.629 -7.581 -10.021 1.00 0.00 C ATOM 0 HA PRO A 84 9.138 -4.748 -8.504 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.794 -6.149 -9.050 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.741 -5.437 -10.342 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.708 -8.289 -9.369 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.727 -7.689 -11.015 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.991 -8.588 -9.815 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.041 -7.286 -10.986 1.00 0.00 H new ATOM 1294 N GLN A 85 8.334 -5.100 -6.268 1.00 0.00 N ATOM 1295 CA GLN A 85 7.911 -5.274 -4.884 1.00 0.00 C ATOM 1296 C GLN A 85 6.399 -5.126 -4.759 1.00 0.00 C ATOM 1297 O GLN A 85 5.823 -4.141 -5.221 1.00 0.00 O ATOM 1298 CB GLN A 85 8.612 -4.256 -3.982 1.00 0.00 C ATOM 1299 CG GLN A 85 10.121 -4.422 -3.934 1.00 0.00 C ATOM 1300 CD GLN A 85 10.781 -3.475 -2.950 1.00 0.00 C ATOM 1301 OE1 GLN A 85 10.739 -3.694 -1.739 1.00 0.00 O ATOM 1302 NE2 GLN A 85 11.395 -2.418 -3.466 1.00 0.00 N ATOM 0 H GLN A 85 8.543 -4.136 -6.527 1.00 0.00 H new ATOM 0 HA GLN A 85 8.189 -6.279 -4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.377 -3.251 -4.332 1.00 0.00 H new ATOM 0 HB3 GLN A 85 8.213 -4.343 -2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.361 -5.449 -3.661 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.533 -4.252 -4.929 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.405 -2.276 -4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.857 -1.747 -2.853 1.00 0.00 H new ATOM 1311 N ARG A 86 5.760 -6.111 -4.136 1.00 0.00 N ATOM 1312 CA ARG A 86 4.313 -6.088 -3.957 1.00 0.00 C ATOM 1313 C ARG A 86 3.943 -6.155 -2.478 1.00 0.00 C ATOM 1314 O ARG A 86 4.570 -6.874 -1.702 1.00 0.00 O ATOM 1315 CB ARG A 86 3.666 -7.253 -4.707 1.00 0.00 C ATOM 1316 CG ARG A 86 3.843 -7.180 -6.215 1.00 0.00 C ATOM 1317 CD ARG A 86 3.072 -8.282 -6.920 1.00 0.00 C ATOM 1318 NE ARG A 86 3.386 -8.347 -8.344 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.845 -9.227 -9.183 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.963 -10.118 -8.746 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.186 -9.217 -10.465 1.00 0.00 N ATOM 0 H ARG A 86 6.221 -6.934 -3.747 1.00 0.00 H new ATOM 0 HA ARG A 86 3.939 -5.148 -4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.092 -8.189 -4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.601 -7.277 -4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.503 -6.209 -6.576 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.902 -7.260 -6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.302 -9.240 -6.454 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.003 -8.115 -6.792 1.00 0.00 H new ATOM 0 HE ARG A 86 4.060 -7.679 -8.718 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.696 -10.131 -7.762 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.552 -10.790 -9.395 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.863 -8.535 -10.807 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.772 -9.891 -11.108 1.00 0.00 H new ATOM 1335 N HIS A 87 2.915 -5.403 -2.099 1.00 0.00 N ATOM 1336 CA HIS A 87 2.453 -5.375 -0.717 1.00 0.00 C ATOM 1337 C HIS A 87 1.009 -5.860 -0.622 1.00 0.00 C ATOM 1338 O HIS A 87 0.107 -5.274 -1.217 1.00 0.00 O ATOM 1339 CB HIS A 87 2.567 -3.962 -0.145 1.00 0.00 C ATOM 1340 CG HIS A 87 3.959 -3.590 0.262 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.315 -3.322 1.567 1.00 0.00 N ATOM 1342 CD2 HIS A 87 5.088 -3.445 -0.471 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.601 -3.026 1.619 1.00 0.00 C ATOM 1344 NE2 HIS A 87 6.093 -3.094 0.395 1.00 0.00 N ATOM 0 H HIS A 87 2.385 -4.804 -2.732 1.00 0.00 H new ATOM 0 HA HIS A 87 3.085 -6.044 -0.134 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.212 -3.248 -0.889 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.909 -3.875 0.720 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.180 -3.580 -1.538 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.156 -2.772 2.510 1.00 0.00 H new ATOM 0 HE2 HIS A 87 7.063 -2.915 0.136 1.00 0.00 H new ATOM 1353 N MET A 88 0.800 -6.937 0.129 1.00 0.00 N ATOM 1354 CA MET A 88 -0.534 -7.500 0.299 1.00 0.00 C ATOM 1355 C MET A 88 -1.132 -7.088 1.640 1.00 0.00 C ATOM 1356 O MET A 88 -0.543 -7.330 2.694 1.00 0.00 O ATOM 1357 CB MET A 88 -0.482 -9.027 0.200 1.00 0.00 C ATOM 1358 CG MET A 88 0.074 -9.532 -1.121 1.00 0.00 C ATOM 1359 SD MET A 88 0.132 -11.332 -1.205 1.00 0.00 S ATOM 1360 CE MET A 88 1.079 -11.571 -2.706 1.00 0.00 C ATOM 0 H MET A 88 1.536 -7.436 0.628 1.00 0.00 H new ATOM 0 HA MET A 88 -1.169 -7.111 -0.497 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.130 -9.415 1.014 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.487 -9.426 0.338 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.540 -9.153 -1.938 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.078 -9.133 -1.265 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.597 -12.329 -3.324 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.130 -10.632 -3.257 1.00 0.00 H new ATOM 0 HE3 MET A 88 2.087 -11.898 -2.452 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.303 -6.461 1.593 1.00 0.00 N ATOM 1371 CA PHE A 89 -2.977 -6.011 2.805 1.00 0.00 C ATOM 1372 C PHE A 89 -4.307 -6.728 3.000 1.00 0.00 C ATOM 1373 O PHE A 89 -4.908 -7.222 2.045 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.211 -4.502 2.749 1.00 0.00 C ATOM 1375 CG PHE A 89 -1.952 -3.702 2.874 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.408 -3.438 4.118 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.312 -3.212 1.747 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.244 -2.700 4.238 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.151 -2.475 1.859 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.385 -2.218 3.106 1.00 0.00 C ATOM 0 H PHE A 89 -2.804 -6.253 0.729 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.332 -6.249 3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.700 -4.252 1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.895 -4.218 3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.897 -3.812 5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.727 -3.409 0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.172 -2.501 5.214 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.338 -2.099 0.973 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.294 -1.642 3.196 1.00 0.00 H new ATOM 1390 N SER A 90 -4.767 -6.772 4.246 1.00 0.00 N ATOM 1391 CA SER A 90 -6.032 -7.416 4.579 1.00 0.00 C ATOM 1392 C SER A 90 -6.936 -6.445 5.330 1.00 0.00 C ATOM 1393 O SER A 90 -6.508 -5.803 6.288 1.00 0.00 O ATOM 1394 CB SER A 90 -5.791 -8.669 5.422 1.00 0.00 C ATOM 1395 OG SER A 90 -6.668 -9.715 5.045 1.00 0.00 O ATOM 0 H SER A 90 -4.280 -6.367 5.045 1.00 0.00 H new ATOM 0 HA SER A 90 -6.523 -7.711 3.652 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.758 -8.997 5.305 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.933 -8.434 6.477 1.00 0.00 H new ATOM 0 HG SER A 90 -6.492 -10.505 5.598 1.00 0.00 H new ATOM 1401 N PHE A 91 -8.180 -6.326 4.881 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.127 -5.416 5.506 1.00 0.00 C ATOM 1403 C PHE A 91 -10.215 -6.157 6.261 1.00 0.00 C ATOM 1404 O PHE A 91 -10.591 -7.275 5.907 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.766 -4.523 4.448 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.897 -3.371 4.053 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.835 -3.555 3.187 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.143 -2.108 4.557 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.028 -2.498 2.827 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.339 -1.041 4.202 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.279 -1.236 3.335 1.00 0.00 C ATOM 0 H PHE A 91 -8.554 -6.848 4.088 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.572 -4.811 6.223 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.992 -5.120 3.565 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.715 -4.142 4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.636 -4.539 2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.970 -1.953 5.234 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.201 -2.654 2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.538 -0.057 4.601 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.649 -0.405 3.055 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.734 -5.506 7.292 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.802 -6.070 8.096 1.00 0.00 C ATOM 1423 C ASN A 92 -13.117 -5.352 7.804 1.00 0.00 C ATOM 1424 O ASN A 92 -14.118 -5.574 8.484 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.464 -5.963 9.585 1.00 0.00 C ATOM 1426 CG ASN A 92 -10.198 -6.715 9.947 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -9.302 -6.170 10.592 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -10.119 -7.973 9.531 1.00 0.00 N ATOM 0 H ASN A 92 -10.428 -4.580 7.591 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.910 -7.124 7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -11.349 -4.913 9.854 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.295 -6.353 10.172 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.291 -8.529 9.743 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.886 -8.383 8.999 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.109 -4.487 6.787 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.306 -3.744 6.418 1.00 0.00 C ATOM 1437 C ASN A 93 -14.274 -3.336 4.949 1.00 0.00 C ATOM 1438 O ASN A 93 -13.341 -2.674 4.496 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.457 -2.505 7.302 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.908 -2.180 7.597 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.672 -3.039 8.038 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -16.297 -0.933 7.356 1.00 0.00 N ATOM 0 H ASN A 93 -12.291 -4.288 6.211 1.00 0.00 H new ATOM 0 HA ASN A 93 -15.164 -4.398 6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.925 -2.664 8.240 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.989 -1.652 6.811 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.262 -0.656 7.537 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.631 -0.253 6.990 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.308 -3.733 4.213 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.408 -3.407 2.796 1.00 0.00 C ATOM 1451 C ARG A 94 -15.564 -1.904 2.593 1.00 0.00 C ATOM 1452 O ARG A 94 -15.185 -1.364 1.555 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.588 -4.145 2.160 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.719 -3.905 0.665 1.00 0.00 C ATOM 1455 CD ARG A 94 -17.957 -4.583 0.100 1.00 0.00 C ATOM 1456 NE ARG A 94 -18.021 -4.478 -1.356 1.00 0.00 N ATOM 1457 CZ ARG A 94 -18.423 -3.386 -2.004 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -18.793 -2.305 -1.329 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -18.454 -3.377 -3.329 1.00 0.00 N ATOM 0 H ARG A 94 -16.088 -4.281 4.576 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.486 -3.728 2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.477 -5.214 2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.509 -3.833 2.652 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.768 -2.834 0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.832 -4.281 0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.958 -5.634 0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.848 -4.132 0.536 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.741 -5.289 -1.909 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.770 -2.308 -0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.100 -1.471 -1.830 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.170 -4.206 -3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -18.762 -2.541 -3.826 1.00 0.00 H new ATOM 1473 N THR A 95 -16.119 -1.230 3.593 1.00 0.00 N ATOM 1474 CA THR A 95 -16.313 0.204 3.523 1.00 0.00 C ATOM 1475 C THR A 95 -14.991 0.917 3.754 1.00 0.00 C ATOM 1476 O THR A 95 -14.635 1.851 3.035 1.00 0.00 O ATOM 1477 CB THR A 95 -17.364 0.635 4.554 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.633 0.783 3.944 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.040 1.932 5.258 1.00 0.00 C ATOM 0 H THR A 95 -16.441 -1.658 4.461 1.00 0.00 H new ATOM 0 HA THR A 95 -16.675 0.476 2.532 1.00 0.00 H new ATOM 0 HB THR A 95 -17.368 -0.162 5.298 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.290 1.056 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 95 -17.831 2.167 5.970 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.093 1.832 5.788 1.00 0.00 H new ATOM 0 HG23 THR A 95 -16.962 2.734 4.525 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.270 0.456 4.760 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.978 1.027 5.099 1.00 0.00 C ATOM 1489 C VAL A 96 -11.956 0.719 4.016 1.00 0.00 C ATOM 1490 O VAL A 96 -11.050 1.512 3.757 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.462 0.509 6.459 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.085 1.081 6.768 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.447 0.848 7.569 1.00 0.00 C ATOM 0 H VAL A 96 -14.559 -0.317 5.360 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.113 2.106 5.174 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.373 -0.576 6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.741 0.702 7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.384 0.782 5.989 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.143 2.169 6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.066 0.475 8.520 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.572 1.929 7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.409 0.383 7.356 1.00 0.00 H new ATOM 1503 N MET A 97 -12.109 -0.434 3.381 1.00 0.00 N ATOM 1504 CA MET A 97 -11.198 -0.839 2.319 1.00 0.00 C ATOM 1505 C MET A 97 -11.481 -0.053 1.042 1.00 0.00 C ATOM 1506 O MET A 97 -10.565 0.264 0.283 1.00 0.00 O ATOM 1507 CB MET A 97 -11.302 -2.349 2.063 1.00 0.00 C ATOM 1508 CG MET A 97 -12.381 -2.744 1.064 1.00 0.00 C ATOM 1509 SD MET A 97 -12.450 -4.524 0.784 1.00 0.00 S ATOM 1510 CE MET A 97 -10.835 -4.818 0.069 1.00 0.00 C ATOM 0 H MET A 97 -12.852 -1.104 3.581 1.00 0.00 H new ATOM 0 HA MET A 97 -10.179 -0.618 2.637 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.339 -2.711 1.702 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.498 -2.853 3.009 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.350 -2.399 1.426 1.00 0.00 H new ATOM 0 HG3 MET A 97 -12.196 -2.238 0.116 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.845 -5.762 -0.476 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.587 -4.007 -0.616 1.00 0.00 H new ATOM 0 HE3 MET A 97 -10.089 -4.864 0.862 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.753 0.264 0.817 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.148 1.016 -0.363 1.00 0.00 C ATOM 1522 C ASP A 98 -12.771 2.484 -0.221 1.00 0.00 C ATOM 1523 O ASP A 98 -12.513 3.170 -1.211 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.654 0.881 -0.604 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.047 -0.516 -1.043 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -14.147 -1.296 -1.422 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.255 -0.830 -1.009 1.00 0.00 O ATOM 0 H ASP A 98 -13.523 0.011 1.436 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.616 0.604 -1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.190 1.135 0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.963 1.598 -1.364 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.738 2.959 1.017 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.388 4.345 1.293 1.00 0.00 C ATOM 1534 C ASN A 99 -10.903 4.582 1.062 1.00 0.00 C ATOM 1535 O ASN A 99 -10.486 5.668 0.659 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.763 4.716 2.730 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.260 4.670 2.967 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -15.050 4.706 2.025 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.656 4.589 4.232 1.00 0.00 N ATOM 0 H ASN A 99 -12.950 2.404 1.846 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.950 4.980 0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.268 4.033 3.420 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.393 5.717 2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.651 4.554 4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.965 4.562 4.982 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.111 3.552 1.318 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.667 3.627 1.138 1.00 0.00 C ATOM 1548 C ILE A 100 -8.288 3.339 -0.310 1.00 0.00 C ATOM 1549 O ILE A 100 -7.475 4.050 -0.903 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.933 2.635 2.064 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.294 2.906 3.527 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.428 2.721 1.857 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.747 4.214 4.057 1.00 0.00 C ATOM 0 H ILE A 100 -10.445 2.649 1.653 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.361 4.640 1.398 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.253 1.624 1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.379 2.908 3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.917 2.089 4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.929 2.014 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.189 2.480 0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.087 3.732 2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.043 4.337 5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.659 4.208 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.144 5.040 3.467 1.00 0.00 H new ATOM 1565 N LYS A 101 -8.882 2.294 -0.876 1.00 0.00 N ATOM 1566 CA LYS A 101 -8.608 1.915 -2.257 1.00 0.00 C ATOM 1567 C LYS A 101 -8.951 3.057 -3.207 1.00 0.00 C ATOM 1568 O LYS A 101 -8.209 3.340 -4.147 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.406 0.664 -2.632 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.170 0.199 -4.060 1.00 0.00 C ATOM 1571 CD LYS A 101 -9.891 -1.108 -4.345 1.00 0.00 C ATOM 1572 CE LYS A 101 -11.400 -0.930 -4.317 1.00 0.00 C ATOM 1573 NZ LYS A 101 -11.979 -1.290 -2.992 1.00 0.00 N ATOM 0 H LYS A 101 -9.556 1.695 -0.400 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.544 1.697 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.144 -0.143 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.468 0.866 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.514 0.965 -4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.101 0.071 -4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.587 -1.487 -5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.598 -1.855 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.648 0.105 -4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.853 -1.550 -5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.860 -0.758 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.182 -2.310 -2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.300 -1.054 -2.241 1.00 0.00 H new ATOM 1587 N MET A 102 -10.082 3.707 -2.957 1.00 0.00 N ATOM 1588 CA MET A 102 -10.525 4.817 -3.789 1.00 0.00 C ATOM 1589 C MET A 102 -9.604 6.016 -3.626 1.00 0.00 C ATOM 1590 O MET A 102 -9.311 6.726 -4.588 1.00 0.00 O ATOM 1591 CB MET A 102 -11.965 5.202 -3.438 1.00 0.00 C ATOM 1592 CG MET A 102 -12.502 6.375 -4.240 1.00 0.00 C ATOM 1593 SD MET A 102 -13.178 5.875 -5.835 1.00 0.00 S ATOM 1594 CE MET A 102 -14.809 5.318 -5.351 1.00 0.00 C ATOM 0 H MET A 102 -10.709 3.483 -2.184 1.00 0.00 H new ATOM 0 HA MET A 102 -10.490 4.498 -4.831 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.611 4.339 -3.599 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.017 5.446 -2.377 1.00 0.00 H new ATOM 0 HG2 MET A 102 -13.277 6.880 -3.663 1.00 0.00 H new ATOM 0 HG3 MET A 102 -11.702 7.098 -4.399 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.353 4.976 -6.232 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.717 4.497 -4.640 1.00 0.00 H new ATOM 0 HE3 MET A 102 -15.352 6.141 -4.886 1.00 0.00 H new ATOM 1604 N THR A 103 -9.149 6.231 -2.404 1.00 0.00 N ATOM 1605 CA THR A 103 -8.255 7.335 -2.108 1.00 0.00 C ATOM 1606 C THR A 103 -6.864 7.042 -2.658 1.00 0.00 C ATOM 1607 O THR A 103 -6.163 7.943 -3.117 1.00 0.00 O ATOM 1608 CB THR A 103 -8.215 7.588 -0.593 1.00 0.00 C ATOM 1609 OG1 THR A 103 -8.989 8.725 -0.257 1.00 0.00 O ATOM 1610 CG2 THR A 103 -6.823 7.806 -0.035 1.00 0.00 C ATOM 0 H THR A 103 -9.386 5.652 -1.598 1.00 0.00 H new ATOM 0 HA THR A 103 -8.625 8.239 -2.591 1.00 0.00 H new ATOM 0 HB THR A 103 -8.618 6.677 -0.150 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.953 8.870 0.712 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.885 7.977 1.040 1.00 0.00 H new ATOM 0 HG22 THR A 103 -6.212 6.924 -0.227 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.370 8.673 -0.515 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.479 5.772 -2.617 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.180 5.355 -3.121 1.00 0.00 C ATOM 1620 C LEU A 104 -5.139 5.470 -4.639 1.00 0.00 C ATOM 1621 O LEU A 104 -4.099 5.775 -5.220 1.00 0.00 O ATOM 1622 CB LEU A 104 -4.876 3.917 -2.696 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.508 3.740 -1.222 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.474 2.265 -0.855 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.169 4.396 -0.925 1.00 0.00 C ATOM 0 H LEU A 104 -7.049 5.015 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.421 6.012 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.747 3.298 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.056 3.540 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.271 4.227 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.210 2.158 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.455 1.824 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.732 1.754 -1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.923 4.260 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.395 3.938 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.228 5.461 -1.150 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.282 5.227 -5.279 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.372 5.309 -6.730 1.00 0.00 C ATOM 1639 C GLN A 105 -6.192 6.743 -7.202 1.00 0.00 C ATOM 1640 O GLN A 105 -5.618 6.993 -8.263 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.714 4.759 -7.217 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.785 3.241 -7.219 1.00 0.00 C ATOM 1643 CD GLN A 105 -9.150 2.721 -7.623 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -10.040 2.562 -6.787 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -9.324 2.455 -8.913 1.00 0.00 N ATOM 0 H GLN A 105 -7.154 4.973 -4.815 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.571 4.703 -7.153 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.509 5.151 -6.583 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.902 5.124 -8.227 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.033 2.847 -7.903 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.538 2.868 -6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.559 2.601 -9.572 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -10.223 2.104 -9.245 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.677 7.682 -6.404 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.560 9.094 -6.737 1.00 0.00 C ATOM 1656 C GLN A 106 -5.099 9.514 -6.743 1.00 0.00 C ATOM 1657 O GLN A 106 -4.663 10.269 -7.611 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.353 9.949 -5.748 1.00 0.00 C ATOM 1659 CG GLN A 106 -8.857 9.747 -5.838 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.627 10.700 -4.943 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -10.489 11.446 -5.407 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -9.319 10.679 -3.652 1.00 0.00 N ATOM 0 H GLN A 106 -7.155 7.493 -5.523 1.00 0.00 H new ATOM 0 HA GLN A 106 -6.974 9.248 -7.734 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.024 9.717 -4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.125 11.000 -5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.177 9.885 -6.871 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.099 8.720 -5.563 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.597 10.044 -3.310 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.804 11.298 -3.002 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.340 9.003 -5.778 1.00 0.00 N ATOM 1672 CA ILE A 107 -2.922 9.311 -5.688 1.00 0.00 C ATOM 1673 C ILE A 107 -2.219 8.897 -6.975 1.00 0.00 C ATOM 1674 O ILE A 107 -1.408 9.640 -7.527 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.270 8.594 -4.490 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -2.917 9.054 -3.182 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.769 8.849 -4.467 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.622 8.145 -2.009 1.00 0.00 C ATOM 0 H ILE A 107 -4.685 8.376 -5.051 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.819 10.386 -5.542 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.431 7.521 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.569 10.060 -2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.996 9.115 -3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.326 8.335 -3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.322 8.475 -5.388 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.583 9.920 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.112 8.533 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -2.995 7.143 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.546 8.103 -1.843 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.563 7.708 -7.458 1.00 0.00 N ATOM 1691 CA ILE A 108 -1.998 7.183 -8.697 1.00 0.00 C ATOM 1692 C ILE A 108 -2.157 8.193 -9.812 1.00 0.00 C ATOM 1693 O ILE A 108 -1.203 8.556 -10.501 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.703 5.885 -9.136 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -2.948 4.956 -7.946 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -1.895 5.186 -10.211 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.741 4.760 -7.055 1.00 0.00 C ATOM 0 H ILE A 108 -3.234 7.086 -7.008 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.945 6.978 -8.505 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.676 6.150 -9.550 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.766 5.358 -7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.273 3.984 -8.318 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.405 4.271 -10.512 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.791 5.844 -11.074 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.907 4.940 -9.822 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.999 4.089 -6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.926 4.328 -7.636 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.427 5.722 -6.650 1.00 0.00 H new ATOM 1709 N SER A 109 -3.387 8.633 -9.971 1.00 0.00 N ATOM 1710 CA SER A 109 -3.737 9.609 -10.996 1.00 0.00 C ATOM 1711 C SER A 109 -2.883 10.866 -10.873 1.00 0.00 C ATOM 1712 O SER A 109 -2.615 11.546 -11.863 1.00 0.00 O ATOM 1713 CB SER A 109 -5.219 9.975 -10.900 1.00 0.00 C ATOM 1714 OG SER A 109 -5.606 10.826 -11.964 1.00 0.00 O ATOM 0 H SER A 109 -4.174 8.329 -9.398 1.00 0.00 H new ATOM 0 HA SER A 109 -3.543 9.156 -11.968 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.822 9.067 -10.919 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.414 10.468 -9.947 1.00 0.00 H new ATOM 0 HG SER A 109 -6.558 11.043 -11.879 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.459 11.164 -9.654 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.635 12.336 -9.397 1.00 0.00 C ATOM 1722 C ARG A 110 -0.231 12.141 -9.947 1.00 0.00 C ATOM 1723 O ARG A 110 0.406 13.089 -10.409 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.576 12.635 -7.898 1.00 0.00 C ATOM 1725 CG ARG A 110 -2.943 12.808 -7.259 1.00 0.00 C ATOM 1726 CD ARG A 110 -3.333 14.275 -7.166 1.00 0.00 C ATOM 1727 NE ARG A 110 -4.756 14.448 -6.886 1.00 0.00 N ATOM 1728 CZ ARG A 110 -5.318 14.182 -5.709 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -4.580 13.732 -4.701 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -6.620 14.366 -5.538 1.00 0.00 N ATOM 0 H ARG A 110 -2.672 10.609 -8.825 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.091 13.186 -9.905 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.049 11.825 -7.395 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.992 13.542 -7.739 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.689 12.268 -7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.938 12.368 -6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.748 14.756 -6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.084 14.776 -8.102 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.354 14.793 -7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.578 13.589 -4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.015 13.530 -3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.192 14.712 -6.309 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.050 14.162 -4.636 1.00 0.00 H new ATOM 1744 N TYR A 111 0.244 10.906 -9.900 1.00 0.00 N ATOM 1745 CA TYR A 111 1.573 10.582 -10.401 1.00 0.00 C ATOM 1746 C TYR A 111 1.597 10.619 -11.923 1.00 0.00 C ATOM 1747 O TYR A 111 2.631 10.889 -12.535 1.00 0.00 O ATOM 1748 CB TYR A 111 2.015 9.206 -9.898 1.00 0.00 C ATOM 1749 CG TYR A 111 2.502 9.217 -8.466 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.758 9.712 -8.144 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.703 8.734 -7.437 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.207 9.726 -6.838 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.144 8.745 -6.128 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.397 9.241 -5.833 1.00 0.00 C ATOM 1755 OH TYR A 111 3.839 9.254 -4.531 1.00 0.00 O ATOM 0 H TYR A 111 -0.270 10.111 -9.520 1.00 0.00 H new ATOM 0 HA TYR A 111 2.270 11.331 -10.026 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.180 8.511 -9.985 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.811 8.831 -10.542 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.395 10.093 -8.928 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.722 8.344 -7.664 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.187 10.115 -6.605 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.511 8.367 -5.339 1.00 0.00 H new ATOM 0 HH TYR A 111 3.147 8.878 -3.947 1.00 0.00 H new ATOM 1765 N LYS A 112 0.449 10.347 -12.526 1.00 0.00 N ATOM 1766 CA LYS A 112 0.322 10.352 -13.975 1.00 0.00 C ATOM 1767 C LYS A 112 0.370 11.776 -14.518 1.00 0.00 C ATOM 1768 O LYS A 112 0.862 12.015 -15.621 1.00 0.00 O ATOM 1769 CB LYS A 112 -0.984 9.675 -14.397 1.00 0.00 C ATOM 1770 CG LYS A 112 -1.137 8.262 -13.860 1.00 0.00 C ATOM 1771 CD LYS A 112 -0.009 7.357 -14.335 1.00 0.00 C ATOM 1772 CE LYS A 112 0.755 6.754 -13.167 1.00 0.00 C ATOM 1773 NZ LYS A 112 0.357 5.341 -12.914 1.00 0.00 N ATOM 0 H LYS A 112 -0.413 10.119 -12.030 1.00 0.00 H new ATOM 0 HA LYS A 112 1.161 9.794 -14.391 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.824 10.278 -14.053 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.035 9.649 -15.485 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.151 8.286 -12.770 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.094 7.851 -14.182 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.419 6.558 -14.954 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.676 7.927 -14.963 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.825 6.799 -13.371 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.576 7.348 -12.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.783 5.015 -12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.679 5.279 -12.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.689 4.742 -13.696 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.142 12.722 -13.732 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.154 14.123 -14.134 1.00 0.00 C ATOM 1789 C ASP A 113 1.261 14.626 -14.404 1.00 0.00 C ATOM 1790 O ASP A 113 1.507 15.312 -15.395 1.00 0.00 O ATOM 1791 CB ASP A 113 -0.816 14.980 -13.053 1.00 0.00 C ATOM 1792 CG ASP A 113 -1.046 16.409 -13.506 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -0.951 16.669 -14.723 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -1.321 17.267 -12.642 1.00 0.00 O ATOM 0 H ASP A 113 -0.552 12.542 -12.816 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.730 14.205 -15.056 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.770 14.533 -12.773 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.190 14.981 -12.161 1.00 0.00 H new ATOM 1799 N ALA A 114 2.185 14.277 -13.516 1.00 0.00 N ATOM 1800 CA ALA A 114 3.574 14.690 -13.657 1.00 0.00 C ATOM 1801 C ALA A 114 4.223 14.027 -14.867 1.00 0.00 C ATOM 1802 O ALA A 114 4.889 14.687 -15.666 1.00 0.00 O ATOM 1803 CB ALA A 114 4.353 14.363 -12.393 1.00 0.00 C ATOM 0 H ALA A 114 1.996 13.709 -12.690 1.00 0.00 H new ATOM 0 HA ALA A 114 3.592 15.769 -13.813 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.390 14.677 -12.513 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.910 14.888 -11.547 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.318 13.289 -12.212 1.00 0.00 H new ATOM 1809 N ASP A 115 4.026 12.719 -14.995 1.00 0.00 N ATOM 1810 CA ASP A 115 4.593 11.965 -16.108 1.00 0.00 C ATOM 1811 C ASP A 115 6.110 12.111 -16.152 1.00 0.00 C ATOM 1812 O ASP A 115 6.801 11.291 -15.511 1.00 0.00 O ATOM 1813 CB ASP A 115 3.985 12.433 -17.431 1.00 0.00 C ATOM 1814 CG ASP A 115 2.641 11.788 -17.711 1.00 0.00 C ATOM 1815 OD1 ASP A 115 2.362 10.721 -17.127 1.00 0.00 O ATOM 1816 OD2 ASP A 115 1.869 12.352 -18.513 1.00 0.00 O ATOM 1817 OXT ASP A 115 6.595 13.043 -16.827 1.00 0.00 O ATOM 0 H ASP A 115 3.478 12.159 -14.342 1.00 0.00 H new ATOM 0 HA ASP A 115 4.354 10.912 -15.958 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.868 13.516 -17.410 1.00 0.00 H new ATOM 0 HB3 ASP A 115 4.672 12.202 -18.245 1.00 0.00 H new TER 1822 ASP A 115