USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 691 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 75 ASN : amide:sc= 1.24 K(o=2.4,f=-0.62) USER MOD Set 1.2: A 90 SER OG : rot 86:sc= 1.13 USER MOD Set 2.1: A 30 SER OG : rot -168:sc= -2.9! USER MOD Set 2.2: A 78 GLN :FLIP amide:sc= -6.04! C(o=-10!,f=-8.9!) USER MOD Set 3.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 62 ASN :FLIP amide:sc= -3.91! C(o=-12!,f=-3.9!) USER MOD Set 4.1: A 40 TYR OH : rot 148:sc= 0.202! USER MOD Set 4.2: A 50 GLN : amide:sc= -6.72! C(o=-6.5!,f=-15!) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0885 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.107! USER MOD Single : A 11 SER OG : rot 180:sc= 0.0566 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 41:sc= 0.0232 USER MOD Single : A 20 SER OG : rot 62:sc= -1.95! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 170:sc= 0.365 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 56:sc= -3.51! USER MOD Single : A 43 SER OG : rot 107:sc= -2.16 USER MOD Single : A 51 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 56 SER OG : rot 170:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 130:sc= -2.12 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 70:sc= -2.61! USER MOD Single : A 85 GLN : amide:sc= -2.02! C(o=-2!,f=-2.1!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.1) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -12:sc= -1.5 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.088 -3.038 -15.668 1.00 0.00 N ATOM 2 CA GLY A 1 -19.857 -2.942 -16.505 1.00 0.00 C ATOM 3 C GLY A 1 -19.712 -4.210 -17.338 1.00 0.00 C ATOM 4 O GLY A 1 -20.217 -5.270 -16.967 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.825 -2.419 -16.062 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.428 -4.021 -15.662 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.870 -2.741 -14.695 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.914 -2.070 -17.157 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.981 -2.809 -15.870 1.00 0.00 H new ATOM 10 N PRO A 2 -19.036 -4.118 -18.451 1.00 0.00 N ATOM 11 CA PRO A 2 -18.821 -5.278 -19.364 1.00 0.00 C ATOM 12 C PRO A 2 -18.151 -6.449 -18.650 1.00 0.00 C ATOM 13 O PRO A 2 -17.222 -6.258 -17.865 1.00 0.00 O ATOM 14 CB PRO A 2 -17.921 -4.726 -20.478 1.00 0.00 C ATOM 15 CG PRO A 2 -17.396 -3.416 -19.982 1.00 0.00 C ATOM 16 CD PRO A 2 -18.401 -2.897 -18.959 1.00 0.00 C ATOM 0 HA PRO A 2 -19.763 -5.674 -19.743 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -17.105 -5.415 -20.696 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -18.483 -4.595 -21.403 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -16.412 -3.540 -19.529 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -17.281 -2.709 -20.804 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.910 -2.339 -18.162 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -19.129 -2.227 -19.416 1.00 0.00 H new ATOM 24 N LEU A 3 -18.627 -7.658 -18.928 1.00 0.00 N ATOM 25 CA LEU A 3 -18.062 -8.850 -18.305 1.00 0.00 C ATOM 26 C LEU A 3 -16.539 -8.816 -18.379 1.00 0.00 C ATOM 27 O LEU A 3 -15.954 -7.833 -18.834 1.00 0.00 O ATOM 28 CB LEU A 3 -18.586 -10.108 -19.002 1.00 0.00 C ATOM 29 CG LEU A 3 -17.966 -10.222 -20.398 1.00 0.00 C ATOM 30 CD1 LEU A 3 -17.053 -11.450 -20.454 1.00 0.00 C ATOM 31 CD2 LEU A 3 -19.079 -10.373 -21.439 1.00 0.00 C ATOM 0 H LEU A 3 -19.395 -7.838 -19.574 1.00 0.00 H new ATOM 0 HA LEU A 3 -18.364 -8.870 -17.258 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -18.341 -10.991 -18.412 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -19.673 -10.067 -19.079 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.385 -9.325 -20.610 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.612 -11.531 -21.448 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.261 -11.348 -19.713 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.636 -12.346 -20.242 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -18.639 -10.454 -22.433 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -19.659 -11.271 -21.224 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -19.733 -9.502 -21.402 1.00 0.00 H new ATOM 43 N GLY A 4 -15.903 -9.893 -17.932 1.00 0.00 N ATOM 44 CA GLY A 4 -14.446 -9.968 -17.959 1.00 0.00 C ATOM 45 C GLY A 4 -13.837 -9.417 -16.672 1.00 0.00 C ATOM 46 O GLY A 4 -12.681 -8.998 -16.654 1.00 0.00 O ATOM 0 H GLY A 4 -16.366 -10.718 -17.551 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.136 -11.004 -18.096 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.067 -9.406 -18.813 1.00 0.00 H new ATOM 50 N SER A 5 -14.619 -9.425 -15.597 1.00 0.00 N ATOM 51 CA SER A 5 -14.139 -8.926 -14.313 1.00 0.00 C ATOM 52 C SER A 5 -13.266 -9.975 -13.629 1.00 0.00 C ATOM 53 O SER A 5 -12.897 -9.826 -12.464 1.00 0.00 O ATOM 54 CB SER A 5 -15.323 -8.576 -13.408 1.00 0.00 C ATOM 55 OG SER A 5 -15.890 -9.772 -12.891 1.00 0.00 O ATOM 0 H SER A 5 -15.579 -9.768 -15.588 1.00 0.00 H new ATOM 0 HA SER A 5 -13.545 -8.030 -14.491 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.994 -7.934 -12.591 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.072 -8.018 -13.970 1.00 0.00 H new ATOM 0 HG SER A 5 -16.647 -9.550 -12.310 1.00 0.00 H new ATOM 61 N HIS A 6 -12.955 -11.042 -14.359 1.00 0.00 N ATOM 62 CA HIS A 6 -12.139 -12.122 -13.813 1.00 0.00 C ATOM 63 C HIS A 6 -10.788 -12.212 -14.524 1.00 0.00 C ATOM 64 O HIS A 6 -10.697 -12.013 -15.736 1.00 0.00 O ATOM 65 CB HIS A 6 -12.886 -13.448 -13.964 1.00 0.00 C ATOM 66 CG HIS A 6 -14.247 -13.323 -13.338 1.00 0.00 C ATOM 67 ND1 HIS A 6 -14.417 -13.102 -11.981 1.00 0.00 N ATOM 68 CD2 HIS A 6 -15.512 -13.377 -13.870 1.00 0.00 C ATOM 69 CE1 HIS A 6 -15.740 -13.030 -11.744 1.00 0.00 C ATOM 70 NE2 HIS A 6 -16.452 -13.191 -12.862 1.00 0.00 N ATOM 0 H HIS A 6 -13.253 -11.182 -15.324 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.955 -11.913 -12.759 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.980 -13.708 -15.018 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.325 -14.251 -13.486 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -15.742 -13.539 -14.913 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -16.173 -12.862 -10.769 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -17.468 -13.180 -12.957 1.00 0.00 H new ATOM 79 N LEU A 7 -9.744 -12.518 -13.757 1.00 0.00 N ATOM 80 CA LEU A 7 -8.396 -12.639 -14.311 1.00 0.00 C ATOM 81 C LEU A 7 -8.148 -14.052 -14.831 1.00 0.00 C ATOM 82 O LEU A 7 -8.736 -15.015 -14.340 1.00 0.00 O ATOM 83 CB LEU A 7 -7.354 -12.318 -13.238 1.00 0.00 C ATOM 84 CG LEU A 7 -7.463 -10.849 -12.828 1.00 0.00 C ATOM 85 CD1 LEU A 7 -8.874 -10.562 -12.315 1.00 0.00 C ATOM 86 CD2 LEU A 7 -6.451 -10.560 -11.718 1.00 0.00 C ATOM 0 H LEU A 7 -9.804 -12.686 -12.753 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.309 -11.932 -15.136 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.505 -12.959 -12.369 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.353 -12.525 -13.617 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.256 -10.214 -13.690 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.949 -9.514 -12.023 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.597 -10.772 -13.103 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.083 -11.195 -11.452 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.525 -9.514 -11.422 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.662 -11.196 -10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.444 -10.764 -12.082 1.00 0.00 H new ATOM 98 N VAL A 8 -7.263 -14.169 -15.817 1.00 0.00 N ATOM 99 CA VAL A 8 -6.935 -15.472 -16.382 1.00 0.00 C ATOM 100 C VAL A 8 -5.625 -15.984 -15.793 1.00 0.00 C ATOM 101 O VAL A 8 -4.652 -15.239 -15.679 1.00 0.00 O ATOM 102 CB VAL A 8 -6.810 -15.374 -17.903 1.00 0.00 C ATOM 103 CG1 VAL A 8 -6.458 -16.750 -18.475 1.00 0.00 C ATOM 104 CG2 VAL A 8 -8.142 -14.906 -18.491 1.00 0.00 C ATOM 0 H VAL A 8 -6.765 -13.385 -16.237 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.736 -16.168 -16.135 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.026 -14.662 -18.160 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.369 -16.681 -19.559 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.511 -17.088 -18.054 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.243 -17.462 -18.220 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.056 -14.835 -19.575 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.924 -15.621 -18.235 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.396 -13.928 -18.082 1.00 0.00 H new ATOM 114 N ALA A 9 -5.610 -17.257 -15.412 1.00 0.00 N ATOM 115 CA ALA A 9 -4.416 -17.854 -14.827 1.00 0.00 C ATOM 116 C ALA A 9 -3.218 -17.678 -15.753 1.00 0.00 C ATOM 117 O ALA A 9 -3.350 -17.742 -16.975 1.00 0.00 O ATOM 118 CB ALA A 9 -4.651 -19.343 -14.570 1.00 0.00 C ATOM 0 H ALA A 9 -6.405 -17.891 -15.497 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.206 -17.350 -13.883 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.755 -19.783 -14.133 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.488 -19.466 -13.882 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.878 -19.843 -15.511 1.00 0.00 H new ATOM 124 N THR A 10 -2.050 -17.450 -15.162 1.00 0.00 N ATOM 125 CA THR A 10 -0.837 -17.260 -15.948 1.00 0.00 C ATOM 126 C THR A 10 0.368 -17.038 -15.041 1.00 0.00 C ATOM 127 O THR A 10 0.359 -17.418 -13.870 1.00 0.00 O ATOM 128 CB THR A 10 -1.006 -16.053 -16.872 1.00 0.00 C ATOM 129 OG1 THR A 10 0.179 -15.878 -17.637 1.00 0.00 O ATOM 130 CG2 THR A 10 -1.267 -14.801 -16.035 1.00 0.00 C ATOM 0 H THR A 10 -1.918 -17.393 -14.152 1.00 0.00 H new ATOM 0 HA THR A 10 -0.667 -18.159 -16.540 1.00 0.00 H new ATOM 0 HB THR A 10 -1.850 -16.220 -17.541 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.073 -15.106 -18.232 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.387 -13.941 -16.694 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.175 -14.938 -15.448 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.425 -14.629 -15.365 1.00 0.00 H new ATOM 138 N SER A 11 1.404 -16.417 -15.595 1.00 0.00 N ATOM 139 CA SER A 11 2.617 -16.140 -14.839 1.00 0.00 C ATOM 140 C SER A 11 2.320 -15.194 -13.681 1.00 0.00 C ATOM 141 O SER A 11 1.160 -14.907 -13.383 1.00 0.00 O ATOM 142 CB SER A 11 3.671 -15.517 -15.752 1.00 0.00 C ATOM 143 OG SER A 11 3.382 -14.136 -15.929 1.00 0.00 O ATOM 0 H SER A 11 1.427 -16.097 -16.563 1.00 0.00 H new ATOM 0 HA SER A 11 2.996 -17.080 -14.438 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.663 -15.640 -15.318 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.680 -16.025 -16.716 1.00 0.00 H new ATOM 0 HG SER A 11 4.058 -13.733 -16.513 1.00 0.00 H new ATOM 149 N GLU A 12 3.373 -14.721 -13.027 1.00 0.00 N ATOM 150 CA GLU A 12 3.212 -13.815 -11.896 1.00 0.00 C ATOM 151 C GLU A 12 2.449 -12.559 -12.311 1.00 0.00 C ATOM 152 O GLU A 12 1.720 -11.974 -11.509 1.00 0.00 O ATOM 153 CB GLU A 12 4.584 -13.420 -11.349 1.00 0.00 C ATOM 154 CG GLU A 12 5.296 -14.661 -10.807 1.00 0.00 C ATOM 155 CD GLU A 12 6.627 -14.266 -10.177 1.00 0.00 C ATOM 156 OE1 GLU A 12 7.059 -13.148 -10.407 1.00 0.00 O ATOM 157 OE2 GLU A 12 7.194 -15.086 -9.474 1.00 0.00 O ATOM 0 H GLU A 12 4.341 -14.947 -13.257 1.00 0.00 H new ATOM 0 HA GLU A 12 2.642 -14.330 -11.123 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.182 -12.960 -12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.472 -12.678 -10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.667 -15.157 -10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.464 -15.375 -11.613 1.00 0.00 H new ATOM 164 N SER A 13 2.618 -12.151 -13.564 1.00 0.00 N ATOM 165 CA SER A 13 1.937 -10.963 -14.066 1.00 0.00 C ATOM 166 C SER A 13 2.448 -9.713 -13.361 1.00 0.00 C ATOM 167 O SER A 13 2.669 -8.677 -13.989 1.00 0.00 O ATOM 168 CB SER A 13 0.430 -11.090 -13.843 1.00 0.00 C ATOM 169 OG SER A 13 -0.253 -10.731 -15.037 1.00 0.00 O ATOM 0 H SER A 13 3.215 -12.620 -14.245 1.00 0.00 H new ATOM 0 HA SER A 13 2.142 -10.877 -15.133 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.178 -12.112 -13.559 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.116 -10.444 -13.023 1.00 0.00 H new ATOM 0 HG SER A 13 -1.220 -10.813 -14.898 1.00 0.00 H new ATOM 175 N VAL A 14 2.629 -9.818 -12.051 1.00 0.00 N ATOM 176 CA VAL A 14 3.110 -8.691 -11.261 1.00 0.00 C ATOM 177 C VAL A 14 4.398 -9.056 -10.536 1.00 0.00 C ATOM 178 O VAL A 14 4.575 -10.192 -10.094 1.00 0.00 O ATOM 179 CB VAL A 14 2.054 -8.279 -10.238 1.00 0.00 C ATOM 180 CG1 VAL A 14 1.896 -9.390 -9.199 1.00 0.00 C ATOM 181 CG2 VAL A 14 2.498 -6.988 -9.544 1.00 0.00 C ATOM 0 H VAL A 14 2.451 -10.667 -11.515 1.00 0.00 H new ATOM 0 HA VAL A 14 3.306 -7.859 -11.938 1.00 0.00 H new ATOM 0 HB VAL A 14 1.101 -8.113 -10.740 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.143 -9.099 -8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.585 -10.310 -9.694 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.848 -9.554 -8.694 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.746 -6.691 -8.813 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.449 -7.155 -9.039 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.615 -6.198 -10.286 1.00 0.00 H new ATOM 191 N THR A 15 5.298 -8.085 -10.418 1.00 0.00 N ATOM 192 CA THR A 15 6.572 -8.314 -9.748 1.00 0.00 C ATOM 193 C THR A 15 6.437 -8.131 -8.238 1.00 0.00 C ATOM 194 O THR A 15 6.291 -9.103 -7.502 1.00 0.00 O ATOM 195 CB THR A 15 7.616 -7.334 -10.290 1.00 0.00 C ATOM 196 OG1 THR A 15 8.189 -7.864 -11.478 1.00 0.00 O ATOM 197 CG2 THR A 15 8.715 -7.103 -9.248 1.00 0.00 C ATOM 0 H THR A 15 5.170 -7.138 -10.775 1.00 0.00 H new ATOM 0 HA THR A 15 6.886 -9.339 -9.944 1.00 0.00 H new ATOM 0 HB THR A 15 7.132 -6.382 -10.509 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.856 -7.237 -11.827 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.452 -6.404 -9.645 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.275 -6.690 -8.341 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.202 -8.050 -9.016 1.00 0.00 H new ATOM 205 N GLU A 16 6.496 -6.878 -7.793 1.00 0.00 N ATOM 206 CA GLU A 16 6.395 -6.560 -6.371 1.00 0.00 C ATOM 207 C GLU A 16 6.994 -7.674 -5.514 1.00 0.00 C ATOM 208 O GLU A 16 6.401 -8.737 -5.346 1.00 0.00 O ATOM 209 CB GLU A 16 4.928 -6.319 -5.997 1.00 0.00 C ATOM 210 CG GLU A 16 4.231 -7.645 -5.684 1.00 0.00 C ATOM 211 CD GLU A 16 2.719 -7.461 -5.718 1.00 0.00 C ATOM 212 OE1 GLU A 16 2.280 -6.397 -6.119 1.00 0.00 O ATOM 213 OE2 GLU A 16 2.021 -8.388 -5.341 1.00 0.00 O ATOM 0 H GLU A 16 6.613 -6.065 -8.398 1.00 0.00 H new ATOM 0 HA GLU A 16 6.965 -5.652 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.871 -5.658 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.415 -5.816 -6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.530 -8.402 -6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.540 -8.004 -4.702 1.00 0.00 H new ATOM 220 N ILE A 17 8.181 -7.425 -4.968 1.00 0.00 N ATOM 221 CA ILE A 17 8.832 -8.424 -4.129 1.00 0.00 C ATOM 222 C ILE A 17 9.759 -7.783 -3.101 1.00 0.00 C ATOM 223 O ILE A 17 9.414 -7.695 -1.923 1.00 0.00 O ATOM 224 CB ILE A 17 9.638 -9.407 -4.984 1.00 0.00 C ATOM 225 CG1 ILE A 17 8.685 -10.321 -5.756 1.00 0.00 C ATOM 226 CG2 ILE A 17 10.534 -10.249 -4.074 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.490 -11.300 -6.614 1.00 0.00 C ATOM 0 H ILE A 17 8.703 -6.557 -5.088 1.00 0.00 H new ATOM 0 HA ILE A 17 8.042 -8.957 -3.600 1.00 0.00 H new ATOM 0 HB ILE A 17 10.254 -8.853 -5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.049 -10.870 -5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.027 -9.725 -6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.110 -10.950 -4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.215 -9.596 -3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.917 -10.802 -3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.808 -11.949 -7.162 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.107 -10.743 -7.320 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.130 -11.905 -5.972 1.00 0.00 H new ATOM 239 N THR A 18 10.943 -7.360 -3.558 1.00 0.00 N ATOM 240 CA THR A 18 11.940 -6.746 -2.673 1.00 0.00 C ATOM 241 C THR A 18 11.330 -6.426 -1.317 1.00 0.00 C ATOM 242 O THR A 18 10.297 -5.768 -1.236 1.00 0.00 O ATOM 243 CB THR A 18 12.485 -5.462 -3.303 1.00 0.00 C ATOM 244 OG1 THR A 18 11.415 -4.731 -3.886 1.00 0.00 O ATOM 245 CG2 THR A 18 13.516 -5.812 -4.380 1.00 0.00 C ATOM 0 H THR A 18 11.234 -7.431 -4.533 1.00 0.00 H new ATOM 0 HA THR A 18 12.755 -7.456 -2.535 1.00 0.00 H new ATOM 0 HB THR A 18 12.963 -4.856 -2.533 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.636 -4.763 -3.293 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.902 -4.895 -4.826 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.337 -6.370 -3.930 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.044 -6.420 -5.152 1.00 0.00 H new ATOM 253 N ALA A 19 11.955 -6.913 -0.252 1.00 0.00 N ATOM 254 CA ALA A 19 11.429 -6.677 1.085 1.00 0.00 C ATOM 255 C ALA A 19 10.010 -7.221 1.170 1.00 0.00 C ATOM 256 O ALA A 19 9.211 -6.782 1.997 1.00 0.00 O ATOM 257 CB ALA A 19 11.426 -5.179 1.393 1.00 0.00 C ATOM 0 H ALA A 19 12.812 -7.465 -0.286 1.00 0.00 H new ATOM 0 HA ALA A 19 12.061 -7.184 1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.031 -5.014 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.444 -4.794 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.801 -4.659 0.667 1.00 0.00 H new ATOM 263 N SER A 20 9.705 -8.176 0.294 1.00 0.00 N ATOM 264 CA SER A 20 8.379 -8.775 0.261 1.00 0.00 C ATOM 265 C SER A 20 7.327 -7.705 0.000 1.00 0.00 C ATOM 266 O SER A 20 6.185 -7.817 0.447 1.00 0.00 O ATOM 267 CB SER A 20 8.087 -9.479 1.586 1.00 0.00 C ATOM 268 OG SER A 20 8.853 -8.874 2.619 1.00 0.00 O ATOM 0 H SER A 20 10.356 -8.548 -0.397 1.00 0.00 H new ATOM 0 HA SER A 20 8.346 -9.508 -0.545 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.024 -9.413 1.819 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.331 -10.539 1.509 1.00 0.00 H new ATOM 0 HG SER A 20 8.590 -7.935 2.714 1.00 0.00 H new ATOM 274 N SER A 21 7.727 -6.662 -0.721 1.00 0.00 N ATOM 275 CA SER A 21 6.822 -5.563 -1.030 1.00 0.00 C ATOM 276 C SER A 21 5.657 -6.036 -1.889 1.00 0.00 C ATOM 277 O SER A 21 5.712 -7.100 -2.504 1.00 0.00 O ATOM 278 CB SER A 21 7.568 -4.465 -1.789 1.00 0.00 C ATOM 279 OG SER A 21 7.497 -4.732 -3.183 1.00 0.00 O ATOM 0 H SER A 21 8.668 -6.556 -1.100 1.00 0.00 H new ATOM 0 HA SER A 21 6.439 -5.177 -0.085 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.129 -3.492 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.608 -4.425 -1.466 1.00 0.00 H new ATOM 0 HG SER A 21 7.972 -4.030 -3.675 1.00 0.00 H new ATOM 285 N PHE A 22 4.617 -5.216 -1.936 1.00 0.00 N ATOM 286 CA PHE A 22 3.439 -5.524 -2.736 1.00 0.00 C ATOM 287 C PHE A 22 3.060 -4.335 -3.603 1.00 0.00 C ATOM 288 O PHE A 22 3.293 -3.186 -3.237 1.00 0.00 O ATOM 289 CB PHE A 22 2.213 -5.802 -1.856 1.00 0.00 C ATOM 290 CG PHE A 22 2.276 -7.097 -1.079 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.104 -8.167 -1.457 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.439 -7.225 0.033 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.085 -9.355 -0.714 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.427 -8.407 0.774 1.00 0.00 C ATOM 295 CZ PHE A 22 2.247 -9.472 0.401 1.00 0.00 C ATOM 0 H PHE A 22 4.564 -4.332 -1.430 1.00 0.00 H new ATOM 0 HA PHE A 22 3.697 -6.400 -3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.092 -4.978 -1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.325 -5.815 -2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.752 -8.075 -2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.798 -6.405 0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.718 -10.181 -1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.783 -8.497 1.636 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.235 -10.388 0.973 1.00 0.00 H new ATOM 305 N VAL A 23 2.419 -4.622 -4.722 1.00 0.00 N ATOM 306 CA VAL A 23 1.939 -3.572 -5.604 1.00 0.00 C ATOM 307 C VAL A 23 0.459 -3.800 -5.866 1.00 0.00 C ATOM 308 O VAL A 23 0.081 -4.718 -6.594 1.00 0.00 O ATOM 309 CB VAL A 23 2.706 -3.559 -6.926 1.00 0.00 C ATOM 310 CG1 VAL A 23 1.963 -2.674 -7.928 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.111 -2.998 -6.693 1.00 0.00 C ATOM 0 H VAL A 23 2.219 -5.570 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 23 2.097 -2.607 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 23 2.782 -4.573 -7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.505 -2.660 -8.873 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.961 -3.070 -8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.893 -1.660 -7.535 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.660 -2.988 -7.635 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.037 -1.982 -6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.638 -3.624 -5.973 1.00 0.00 H new ATOM 321 N VAL A 24 -0.376 -2.974 -5.251 1.00 0.00 N ATOM 322 CA VAL A 24 -1.817 -3.112 -5.408 1.00 0.00 C ATOM 323 C VAL A 24 -2.406 -1.895 -6.104 1.00 0.00 C ATOM 324 O VAL A 24 -2.083 -0.755 -5.771 1.00 0.00 O ATOM 325 CB VAL A 24 -2.467 -3.288 -4.033 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.984 -3.410 -4.192 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.925 -4.559 -3.378 1.00 0.00 C ATOM 0 H VAL A 24 -0.084 -2.208 -4.644 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.017 -3.989 -6.024 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.236 -2.424 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.444 -3.535 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.374 -2.508 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.216 -4.274 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.385 -4.688 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.159 -5.419 -4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.844 -4.477 -3.263 1.00 0.00 H new ATOM 337 N SER A 25 -3.280 -2.147 -7.070 1.00 0.00 N ATOM 338 CA SER A 25 -3.921 -1.068 -7.804 1.00 0.00 C ATOM 339 C SER A 25 -5.433 -1.211 -7.724 1.00 0.00 C ATOM 340 O SER A 25 -5.955 -2.321 -7.616 1.00 0.00 O ATOM 341 CB SER A 25 -3.475 -1.089 -9.266 1.00 0.00 C ATOM 342 OG SER A 25 -3.829 -2.337 -9.847 1.00 0.00 O ATOM 0 H SER A 25 -3.559 -3.084 -7.361 1.00 0.00 H new ATOM 0 HA SER A 25 -3.628 -0.117 -7.358 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.946 -0.273 -9.814 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.398 -0.937 -9.332 1.00 0.00 H new ATOM 0 HG SER A 25 -3.546 -2.353 -10.785 1.00 0.00 H new ATOM 348 N TRP A 26 -6.135 -0.087 -7.777 1.00 0.00 N ATOM 349 CA TRP A 26 -7.585 -0.111 -7.707 1.00 0.00 C ATOM 350 C TRP A 26 -8.175 0.972 -8.595 1.00 0.00 C ATOM 351 O TRP A 26 -7.448 1.714 -9.255 1.00 0.00 O ATOM 352 CB TRP A 26 -8.041 0.096 -6.262 1.00 0.00 C ATOM 353 CG TRP A 26 -7.404 1.330 -5.711 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.951 2.565 -5.735 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.111 1.467 -5.055 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.076 3.455 -5.137 1.00 0.00 N ATOM 357 CE2 TRP A 26 -5.926 2.825 -4.702 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.091 0.554 -4.737 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -4.768 3.261 -4.053 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -3.926 0.987 -4.086 1.00 0.00 C ATOM 361 CH2 TRP A 26 -3.764 2.338 -3.745 1.00 0.00 C ATOM 0 H TRP A 26 -5.726 0.843 -7.867 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.936 -1.082 -8.058 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.127 0.185 -6.221 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.769 -0.768 -5.656 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.914 2.817 -6.153 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.258 4.453 -5.031 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.205 -0.488 -4.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.649 4.302 -3.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.149 0.276 -3.846 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -2.864 2.665 -3.245 1.00 0.00 H new ATOM 372 N VAL A 27 -9.497 1.058 -8.608 1.00 0.00 N ATOM 373 CA VAL A 27 -10.173 2.056 -9.420 1.00 0.00 C ATOM 374 C VAL A 27 -10.987 2.994 -8.544 1.00 0.00 C ATOM 375 O VAL A 27 -11.791 2.551 -7.723 1.00 0.00 O ATOM 376 CB VAL A 27 -11.097 1.368 -10.425 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.787 2.422 -11.292 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.272 0.439 -11.318 1.00 0.00 C ATOM 0 H VAL A 27 -10.118 0.454 -8.070 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.420 2.636 -9.953 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.850 0.790 -9.889 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.445 1.930 -12.008 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.373 3.088 -10.658 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.035 3.001 -11.829 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.928 -0.053 -12.036 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.521 1.021 -11.852 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.778 -0.313 -10.703 1.00 0.00 H new ATOM 388 N SER A 28 -10.783 4.292 -8.727 1.00 0.00 N ATOM 389 CA SER A 28 -11.521 5.275 -7.946 1.00 0.00 C ATOM 390 C SER A 28 -13.013 4.958 -7.998 1.00 0.00 C ATOM 391 O SER A 28 -13.554 4.668 -9.064 1.00 0.00 O ATOM 392 CB SER A 28 -11.270 6.677 -8.497 1.00 0.00 C ATOM 393 OG SER A 28 -12.054 7.615 -7.771 1.00 0.00 O ATOM 0 H SER A 28 -10.123 4.684 -9.399 1.00 0.00 H new ATOM 0 HA SER A 28 -11.180 5.236 -6.911 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.213 6.929 -8.415 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.525 6.715 -9.556 1.00 0.00 H new ATOM 0 HG SER A 28 -11.779 8.525 -8.009 1.00 0.00 H new ATOM 399 N ALA A 29 -13.670 4.993 -6.843 1.00 0.00 N ATOM 400 CA ALA A 29 -15.095 4.684 -6.783 1.00 0.00 C ATOM 401 C ALA A 29 -15.915 5.898 -6.364 1.00 0.00 C ATOM 402 O ALA A 29 -16.987 5.755 -5.777 1.00 0.00 O ATOM 403 CB ALA A 29 -15.334 3.542 -5.793 1.00 0.00 C ATOM 0 H ALA A 29 -13.245 5.229 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.415 4.387 -7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.399 3.314 -5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.786 2.658 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.987 3.840 -4.803 1.00 0.00 H new ATOM 409 N SER A 30 -15.415 7.090 -6.661 1.00 0.00 N ATOM 410 CA SER A 30 -16.134 8.301 -6.292 1.00 0.00 C ATOM 411 C SER A 30 -15.681 9.490 -7.128 1.00 0.00 C ATOM 412 O SER A 30 -16.425 10.454 -7.302 1.00 0.00 O ATOM 413 CB SER A 30 -15.901 8.600 -4.814 1.00 0.00 C ATOM 414 OG SER A 30 -16.932 7.996 -4.045 1.00 0.00 O ATOM 0 H SER A 30 -14.531 7.243 -7.147 1.00 0.00 H new ATOM 0 HA SER A 30 -17.195 8.138 -6.479 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.928 8.219 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.890 9.677 -4.646 1.00 0.00 H new ATOM 0 HG SER A 30 -16.898 8.337 -3.127 1.00 0.00 H new ATOM 420 N ASP A 31 -14.454 9.426 -7.630 1.00 0.00 N ATOM 421 CA ASP A 31 -13.915 10.519 -8.431 1.00 0.00 C ATOM 422 C ASP A 31 -13.809 11.774 -7.571 1.00 0.00 C ATOM 423 O ASP A 31 -12.832 12.518 -7.652 1.00 0.00 O ATOM 424 CB ASP A 31 -14.821 10.792 -9.634 1.00 0.00 C ATOM 425 CG ASP A 31 -15.011 9.513 -10.443 1.00 0.00 C ATOM 426 OD1 ASP A 31 -14.177 8.631 -10.323 1.00 0.00 O ATOM 427 OD2 ASP A 31 -15.989 9.434 -11.169 1.00 0.00 O ATOM 0 H ASP A 31 -13.819 8.638 -7.499 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.926 10.240 -8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.787 11.165 -9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.382 11.568 -10.262 1.00 0.00 H new ATOM 432 N THR A 32 -14.822 11.990 -6.735 1.00 0.00 N ATOM 433 CA THR A 32 -14.845 13.137 -5.846 1.00 0.00 C ATOM 434 C THR A 32 -13.961 12.869 -4.638 1.00 0.00 C ATOM 435 O THR A 32 -13.842 13.703 -3.739 1.00 0.00 O ATOM 436 CB THR A 32 -16.279 13.391 -5.381 1.00 0.00 C ATOM 437 OG1 THR A 32 -16.701 12.314 -4.555 1.00 0.00 O ATOM 438 CG2 THR A 32 -17.201 13.496 -6.594 1.00 0.00 C ATOM 0 H THR A 32 -15.637 11.381 -6.659 1.00 0.00 H new ATOM 0 HA THR A 32 -14.472 14.012 -6.378 1.00 0.00 H new ATOM 0 HB THR A 32 -16.320 14.323 -4.817 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.620 12.474 -4.253 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.223 13.677 -6.260 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.875 14.320 -7.228 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.164 12.566 -7.161 1.00 0.00 H new ATOM 446 N VAL A 33 -13.339 11.694 -4.630 1.00 0.00 N ATOM 447 CA VAL A 33 -12.464 11.310 -3.540 1.00 0.00 C ATOM 448 C VAL A 33 -11.415 12.389 -3.312 1.00 0.00 C ATOM 449 O VAL A 33 -10.919 12.992 -4.262 1.00 0.00 O ATOM 450 CB VAL A 33 -11.791 9.977 -3.876 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.421 9.950 -5.360 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.526 9.806 -3.034 1.00 0.00 C ATOM 0 H VAL A 33 -13.428 10.995 -5.368 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.048 11.196 -2.627 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.482 9.163 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.942 9.000 -5.598 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.323 10.063 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.734 10.768 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.052 8.855 -3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.834 10.621 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.788 9.819 -1.976 1.00 0.00 H new ATOM 462 N SER A 34 -11.089 12.633 -2.048 1.00 0.00 N ATOM 463 CA SER A 34 -10.096 13.646 -1.709 1.00 0.00 C ATOM 464 C SER A 34 -8.728 12.994 -1.554 1.00 0.00 C ATOM 465 O SER A 34 -7.696 13.662 -1.584 1.00 0.00 O ATOM 466 CB SER A 34 -10.492 14.347 -0.410 1.00 0.00 C ATOM 467 OG SER A 34 -11.763 14.962 -0.579 1.00 0.00 O ATOM 0 H SER A 34 -11.494 12.148 -1.247 1.00 0.00 H new ATOM 0 HA SER A 34 -10.049 14.385 -2.509 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.529 13.628 0.409 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.745 15.095 -0.144 1.00 0.00 H new ATOM 0 HG SER A 34 -12.417 14.290 -0.864 1.00 0.00 H new ATOM 473 N GLY A 35 -8.742 11.677 -1.400 1.00 0.00 N ATOM 474 CA GLY A 35 -7.515 10.908 -1.252 1.00 0.00 C ATOM 475 C GLY A 35 -7.845 9.439 -1.031 1.00 0.00 C ATOM 476 O GLY A 35 -9.012 9.060 -0.968 1.00 0.00 O ATOM 0 H GLY A 35 -9.594 11.117 -1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.896 11.020 -2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.936 11.290 -0.411 1.00 0.00 H new ATOM 480 N PHE A 36 -6.817 8.618 -0.900 1.00 0.00 N ATOM 481 CA PHE A 36 -7.023 7.197 -0.670 1.00 0.00 C ATOM 482 C PHE A 36 -6.285 6.750 0.575 1.00 0.00 C ATOM 483 O PHE A 36 -5.258 7.315 0.941 1.00 0.00 O ATOM 484 CB PHE A 36 -6.540 6.381 -1.869 1.00 0.00 C ATOM 485 CG PHE A 36 -7.475 6.594 -3.031 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.597 5.772 -3.185 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.222 7.613 -3.953 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.467 5.971 -4.262 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.091 7.812 -5.029 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.214 6.991 -5.185 1.00 0.00 C ATOM 0 H PHE A 36 -5.840 8.906 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.091 7.029 -0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.528 6.681 -2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.500 5.323 -1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.791 4.984 -2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.355 8.246 -3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.334 5.337 -4.381 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.896 8.600 -5.741 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.885 7.145 -6.017 1.00 0.00 H new ATOM 500 N ARG A 37 -6.810 5.726 1.219 1.00 0.00 N ATOM 501 CA ARG A 37 -6.187 5.204 2.415 1.00 0.00 C ATOM 502 C ARG A 37 -6.052 3.695 2.312 1.00 0.00 C ATOM 503 O ARG A 37 -7.036 2.986 2.104 1.00 0.00 O ATOM 504 CB ARG A 37 -7.015 5.564 3.646 1.00 0.00 C ATOM 505 CG ARG A 37 -6.319 5.033 4.900 1.00 0.00 C ATOM 506 CD ARG A 37 -7.006 5.605 6.139 1.00 0.00 C ATOM 507 NE ARG A 37 -6.680 4.810 7.318 1.00 0.00 N ATOM 508 CZ ARG A 37 -7.114 5.168 8.523 1.00 0.00 C ATOM 509 NH1 ARG A 37 -7.829 6.251 8.660 1.00 0.00 N ATOM 510 NH2 ARG A 37 -6.826 4.442 9.566 1.00 0.00 N ATOM 0 H ARG A 37 -7.662 5.243 0.935 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.197 5.648 2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.135 6.645 3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.014 5.137 3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.359 3.944 4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.266 5.314 4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.692 6.638 6.292 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.086 5.619 5.990 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.112 3.969 7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.054 6.820 7.844 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.163 6.528 9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.266 3.596 9.460 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.161 4.720 10.489 1.00 0.00 H new ATOM 524 N VAL A 38 -4.830 3.210 2.467 1.00 0.00 N ATOM 525 CA VAL A 38 -4.592 1.777 2.395 1.00 0.00 C ATOM 526 C VAL A 38 -4.312 1.229 3.782 1.00 0.00 C ATOM 527 O VAL A 38 -3.492 1.772 4.522 1.00 0.00 O ATOM 528 CB VAL A 38 -3.411 1.465 1.474 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.332 -0.048 1.255 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.611 2.164 0.129 1.00 0.00 C ATOM 0 H VAL A 38 -4.000 3.777 2.641 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.485 1.304 1.988 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.487 1.820 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.492 -0.277 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.191 -0.547 2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.257 -0.398 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.769 1.941 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.533 1.809 -0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.674 3.241 0.285 1.00 0.00 H new ATOM 540 N GLU A 39 -4.997 0.152 4.127 1.00 0.00 N ATOM 541 CA GLU A 39 -4.812 -0.462 5.429 1.00 0.00 C ATOM 542 C GLU A 39 -4.412 -1.916 5.263 1.00 0.00 C ATOM 543 O GLU A 39 -5.128 -2.699 4.639 1.00 0.00 O ATOM 544 CB GLU A 39 -6.115 -0.381 6.225 1.00 0.00 C ATOM 545 CG GLU A 39 -5.868 -0.840 7.661 1.00 0.00 C ATOM 546 CD GLU A 39 -6.557 -2.178 7.907 1.00 0.00 C ATOM 547 OE1 GLU A 39 -6.735 -2.915 6.951 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.899 -2.446 9.047 1.00 0.00 O ATOM 0 H GLU A 39 -5.681 -0.312 3.529 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.024 0.069 5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.493 0.641 6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.877 -1.006 5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.797 -0.934 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.245 -0.094 8.360 1.00 0.00 H new ATOM 555 N TYR A 40 -3.269 -2.279 5.827 1.00 0.00 N ATOM 556 CA TYR A 40 -2.806 -3.651 5.726 1.00 0.00 C ATOM 557 C TYR A 40 -2.289 -4.158 7.063 1.00 0.00 C ATOM 558 O TYR A 40 -1.595 -3.449 7.793 1.00 0.00 O ATOM 559 CB TYR A 40 -1.721 -3.767 4.655 1.00 0.00 C ATOM 560 CG TYR A 40 -0.519 -2.943 5.044 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.474 -1.582 4.718 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.552 -3.537 5.722 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.641 -0.814 5.070 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.669 -2.769 6.073 1.00 0.00 C ATOM 565 CZ TYR A 40 1.714 -1.407 5.747 1.00 0.00 C ATOM 566 OH TYR A 40 2.814 -0.650 6.091 1.00 0.00 O ATOM 0 H TYR A 40 -2.656 -1.654 6.350 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.654 -4.273 5.438 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.432 -4.811 4.531 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.109 -3.427 3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.301 -1.125 4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.517 -4.587 5.974 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.674 0.236 4.820 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.496 -3.227 6.595 1.00 0.00 H new ATOM 0 HH TYR A 40 3.198 -0.991 6.926 1.00 0.00 H new ATOM 576 N GLU A 41 -2.644 -5.399 7.370 1.00 0.00 N ATOM 577 CA GLU A 41 -2.234 -6.029 8.615 1.00 0.00 C ATOM 578 C GLU A 41 -2.044 -7.526 8.396 1.00 0.00 C ATOM 579 O GLU A 41 -2.428 -8.058 7.354 1.00 0.00 O ATOM 580 CB GLU A 41 -3.297 -5.795 9.687 1.00 0.00 C ATOM 581 CG GLU A 41 -4.535 -6.634 9.365 1.00 0.00 C ATOM 582 CD GLU A 41 -5.672 -6.279 10.317 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.580 -6.639 11.478 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.618 -5.651 9.870 1.00 0.00 O ATOM 0 H GLU A 41 -3.218 -5.991 6.769 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.291 -5.592 8.944 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.906 -6.065 10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.561 -4.738 9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.845 -6.458 8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.297 -7.694 9.450 1.00 0.00 H new ATOM 591 N LEU A 42 -1.449 -8.203 9.369 1.00 0.00 N ATOM 592 CA LEU A 42 -1.215 -9.637 9.245 1.00 0.00 C ATOM 593 C LEU A 42 -2.503 -10.431 9.421 1.00 0.00 C ATOM 594 O LEU A 42 -3.219 -10.268 10.409 1.00 0.00 O ATOM 595 CB LEU A 42 -0.187 -10.081 10.282 1.00 0.00 C ATOM 596 CG LEU A 42 1.142 -9.407 9.963 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.053 -9.443 11.184 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.819 -10.152 8.811 1.00 0.00 C ATOM 0 H LEU A 42 -1.123 -7.790 10.243 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.836 -9.832 8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.518 -9.810 11.284 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.076 -11.165 10.265 1.00 0.00 H new ATOM 0 HG LEU A 42 0.959 -8.370 9.683 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.000 -8.959 10.946 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.575 -8.917 12.010 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.237 -10.479 11.470 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.771 -9.674 8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.994 -11.188 9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.175 -10.125 7.932 1.00 0.00 H new ATOM 610 N SER A 43 -2.777 -11.301 8.454 1.00 0.00 N ATOM 611 CA SER A 43 -3.968 -12.138 8.499 1.00 0.00 C ATOM 612 C SER A 43 -3.831 -13.167 9.613 1.00 0.00 C ATOM 613 O SER A 43 -4.821 -13.718 10.095 1.00 0.00 O ATOM 614 CB SER A 43 -4.145 -12.855 7.159 1.00 0.00 C ATOM 615 OG SER A 43 -3.279 -13.981 7.112 1.00 0.00 O ATOM 0 H SER A 43 -2.191 -11.444 7.632 1.00 0.00 H new ATOM 0 HA SER A 43 -4.839 -11.512 8.692 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.181 -13.173 7.037 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.921 -12.175 6.337 1.00 0.00 H new ATOM 0 HG SER A 43 -3.805 -14.802 7.208 1.00 0.00 H new ATOM 621 N GLU A 44 -2.588 -13.416 10.011 1.00 0.00 N ATOM 622 CA GLU A 44 -2.300 -14.378 11.067 1.00 0.00 C ATOM 623 C GLU A 44 -2.068 -13.657 12.388 1.00 0.00 C ATOM 624 O GLU A 44 -2.919 -13.670 13.278 1.00 0.00 O ATOM 625 CB GLU A 44 -1.043 -15.169 10.706 1.00 0.00 C ATOM 626 CG GLU A 44 -1.202 -15.780 9.314 1.00 0.00 C ATOM 627 CD GLU A 44 0.047 -16.576 8.952 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.017 -16.485 9.687 1.00 0.00 O ATOM 629 OE2 GLU A 44 0.019 -17.261 7.943 1.00 0.00 O ATOM 0 H GLU A 44 -1.763 -12.964 9.617 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.150 -15.052 11.169 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.171 -14.516 10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.872 -15.955 11.442 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.077 -16.429 9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.368 -14.993 8.578 1.00 0.00 H new ATOM 636 N GLU A 45 -0.905 -13.025 12.501 1.00 0.00 N ATOM 637 CA GLU A 45 -0.551 -12.292 13.701 1.00 0.00 C ATOM 638 C GLU A 45 -1.464 -11.088 13.849 1.00 0.00 C ATOM 639 O GLU A 45 -1.947 -10.543 12.855 1.00 0.00 O ATOM 640 CB GLU A 45 0.896 -11.818 13.610 1.00 0.00 C ATOM 641 CG GLU A 45 1.810 -12.991 13.253 1.00 0.00 C ATOM 642 CD GLU A 45 3.270 -12.558 13.343 1.00 0.00 C ATOM 643 OE1 GLU A 45 3.508 -11.368 13.459 1.00 0.00 O ATOM 644 OE2 GLU A 45 4.128 -13.425 13.295 1.00 0.00 O ATOM 0 H GLU A 45 -0.192 -13.008 11.771 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.664 -12.947 14.565 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.984 -11.035 12.856 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.205 -11.382 14.560 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.627 -13.825 13.930 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.588 -13.343 12.246 1.00 0.00 H new ATOM 651 N GLY A 46 -1.707 -10.673 15.080 1.00 0.00 N ATOM 652 CA GLY A 46 -2.576 -9.532 15.305 1.00 0.00 C ATOM 653 C GLY A 46 -1.775 -8.261 15.557 1.00 0.00 C ATOM 654 O GLY A 46 -2.111 -7.469 16.436 1.00 0.00 O ATOM 0 H GLY A 46 -1.324 -11.099 15.924 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.223 -9.390 14.439 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.224 -9.730 16.159 1.00 0.00 H new ATOM 658 N ASP A 47 -0.726 -8.063 14.767 1.00 0.00 N ATOM 659 CA ASP A 47 0.097 -6.874 14.904 1.00 0.00 C ATOM 660 C ASP A 47 -0.756 -5.633 14.679 1.00 0.00 C ATOM 661 O ASP A 47 -1.921 -5.736 14.295 1.00 0.00 O ATOM 662 CB ASP A 47 1.237 -6.906 13.888 1.00 0.00 C ATOM 663 CG ASP A 47 2.231 -8.005 14.248 1.00 0.00 C ATOM 664 OD1 ASP A 47 2.127 -8.535 15.342 1.00 0.00 O ATOM 665 OD2 ASP A 47 3.083 -8.299 13.426 1.00 0.00 O ATOM 0 H ASP A 47 -0.430 -8.706 14.032 1.00 0.00 H new ATOM 0 HA ASP A 47 0.518 -6.847 15.909 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.838 -7.079 12.888 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.743 -5.941 13.867 1.00 0.00 H new ATOM 670 N GLU A 48 -0.184 -4.464 14.926 1.00 0.00 N ATOM 671 CA GLU A 48 -0.928 -3.229 14.745 1.00 0.00 C ATOM 672 C GLU A 48 -1.090 -2.914 13.261 1.00 0.00 C ATOM 673 O GLU A 48 -0.144 -3.040 12.484 1.00 0.00 O ATOM 674 CB GLU A 48 -0.207 -2.071 15.428 1.00 0.00 C ATOM 675 CG GLU A 48 1.299 -2.212 15.216 1.00 0.00 C ATOM 676 CD GLU A 48 1.950 -2.826 16.450 1.00 0.00 C ATOM 677 OE1 GLU A 48 1.546 -2.475 17.546 1.00 0.00 O ATOM 678 OE2 GLU A 48 2.844 -3.638 16.280 1.00 0.00 O ATOM 0 H GLU A 48 0.777 -4.346 15.247 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.913 -3.359 15.194 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.555 -1.122 15.021 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.436 -2.064 16.494 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.494 -2.837 14.344 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.738 -1.235 15.013 1.00 0.00 H new ATOM 685 N PRO A 49 -2.262 -2.501 12.859 1.00 0.00 N ATOM 686 CA PRO A 49 -2.546 -2.154 11.438 1.00 0.00 C ATOM 687 C PRO A 49 -1.809 -0.888 11.010 1.00 0.00 C ATOM 688 O PRO A 49 -1.532 -0.013 11.831 1.00 0.00 O ATOM 689 CB PRO A 49 -4.062 -1.942 11.404 1.00 0.00 C ATOM 690 CG PRO A 49 -4.452 -1.616 12.808 1.00 0.00 C ATOM 691 CD PRO A 49 -3.443 -2.317 13.716 1.00 0.00 C ATOM 0 HA PRO A 49 -2.212 -2.931 10.750 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.330 -1.133 10.725 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.575 -2.837 11.052 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.439 -0.539 12.973 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.465 -1.958 13.018 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.209 -1.714 14.594 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.827 -3.271 14.077 1.00 0.00 H new ATOM 699 N GLN A 50 -1.500 -0.795 9.723 1.00 0.00 N ATOM 700 CA GLN A 50 -0.803 0.371 9.198 1.00 0.00 C ATOM 701 C GLN A 50 -1.689 1.090 8.190 1.00 0.00 C ATOM 702 O GLN A 50 -2.477 0.457 7.489 1.00 0.00 O ATOM 703 CB GLN A 50 0.500 -0.067 8.529 1.00 0.00 C ATOM 704 CG GLN A 50 1.331 -0.871 9.531 1.00 0.00 C ATOM 705 CD GLN A 50 2.121 -1.957 8.807 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.044 -1.657 8.051 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.805 -3.210 8.995 1.00 0.00 N ATOM 0 H GLN A 50 -1.719 -1.508 9.028 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.572 1.052 10.017 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.286 -0.671 7.648 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.060 0.804 8.190 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.013 -0.208 10.064 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.678 -1.323 10.277 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.039 -3.454 9.623 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.324 -3.945 8.514 1.00 0.00 H new ATOM 716 N TYR A 51 -1.573 2.412 8.127 1.00 0.00 N ATOM 717 CA TYR A 51 -2.395 3.177 7.201 1.00 0.00 C ATOM 718 C TYR A 51 -1.525 4.044 6.292 1.00 0.00 C ATOM 719 O TYR A 51 -0.588 4.694 6.753 1.00 0.00 O ATOM 720 CB TYR A 51 -3.345 4.089 7.982 1.00 0.00 C ATOM 721 CG TYR A 51 -3.859 3.382 9.216 1.00 0.00 C ATOM 722 CD1 TYR A 51 -4.843 2.390 9.112 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.354 3.736 10.474 1.00 0.00 C ATOM 724 CE1 TYR A 51 -5.319 1.755 10.270 1.00 0.00 C ATOM 725 CE2 TYR A 51 -3.829 3.101 11.626 1.00 0.00 C ATOM 726 CZ TYR A 51 -4.812 2.112 11.525 1.00 0.00 C ATOM 727 OH TYR A 51 -5.282 1.487 12.663 1.00 0.00 O ATOM 0 H TYR A 51 -0.931 2.966 8.694 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.962 2.473 6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.827 5.004 8.269 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.182 4.382 7.348 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.234 2.115 8.144 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.596 4.501 10.554 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.077 0.990 10.193 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.436 3.375 12.594 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.824 1.852 13.449 1.00 0.00 H new ATOM 737 N LEU A 52 -1.859 4.068 5.007 1.00 0.00 N ATOM 738 CA LEU A 52 -1.119 4.884 4.050 1.00 0.00 C ATOM 739 C LEU A 52 -2.088 5.787 3.301 1.00 0.00 C ATOM 740 O LEU A 52 -3.094 5.320 2.774 1.00 0.00 O ATOM 741 CB LEU A 52 -0.372 3.994 3.058 1.00 0.00 C ATOM 742 CG LEU A 52 0.501 3.004 3.825 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.161 2.040 2.839 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.585 3.763 4.593 1.00 0.00 C ATOM 0 H LEU A 52 -2.631 3.536 4.605 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.392 5.492 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.081 3.458 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.244 4.604 2.397 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.117 2.445 4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.785 1.332 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.391 1.497 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.778 2.602 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.207 3.055 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.203 4.323 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.118 4.453 5.295 1.00 0.00 H new ATOM 756 N ASP A 53 -1.790 7.076 3.265 1.00 0.00 N ATOM 757 CA ASP A 53 -2.668 8.021 2.583 1.00 0.00 C ATOM 758 C ASP A 53 -2.090 8.457 1.237 1.00 0.00 C ATOM 759 O ASP A 53 -0.906 8.779 1.128 1.00 0.00 O ATOM 760 CB ASP A 53 -2.907 9.246 3.462 1.00 0.00 C ATOM 761 CG ASP A 53 -3.500 8.819 4.801 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.109 7.763 4.849 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.339 9.556 5.761 1.00 0.00 O ATOM 0 H ASP A 53 -0.961 7.490 3.692 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.615 7.515 2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.969 9.777 3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.583 9.938 2.960 1.00 0.00 H new ATOM 768 N LEU A 54 -2.943 8.454 0.215 1.00 0.00 N ATOM 769 CA LEU A 54 -2.534 8.837 -1.132 1.00 0.00 C ATOM 770 C LEU A 54 -3.523 9.855 -1.706 1.00 0.00 C ATOM 771 O LEU A 54 -4.675 9.914 -1.275 1.00 0.00 O ATOM 772 CB LEU A 54 -2.502 7.593 -2.027 1.00 0.00 C ATOM 773 CG LEU A 54 -1.957 6.395 -1.242 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.313 5.102 -1.975 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.437 6.511 -1.131 1.00 0.00 C ATOM 0 H LEU A 54 -3.925 8.189 0.296 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.541 9.286 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.505 7.372 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.878 7.780 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.397 6.382 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.926 4.249 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.396 5.018 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.871 5.115 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.047 5.660 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.001 6.522 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.180 7.434 -0.612 1.00 0.00 H new ATOM 787 N PRO A 55 -3.109 10.652 -2.661 1.00 0.00 N ATOM 788 CA PRO A 55 -3.997 11.675 -3.284 1.00 0.00 C ATOM 789 C PRO A 55 -5.141 11.045 -4.077 1.00 0.00 C ATOM 790 O PRO A 55 -5.051 9.900 -4.520 1.00 0.00 O ATOM 791 CB PRO A 55 -3.072 12.485 -4.199 1.00 0.00 C ATOM 792 CG PRO A 55 -1.854 11.649 -4.412 1.00 0.00 C ATOM 793 CD PRO A 55 -1.758 10.666 -3.245 1.00 0.00 C ATOM 0 HA PRO A 55 -4.484 12.292 -2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.561 12.708 -5.147 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.813 13.440 -3.742 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.918 11.114 -5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.963 12.275 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.463 9.674 -3.586 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.014 10.987 -2.516 1.00 0.00 H new ATOM 801 N SER A 56 -6.217 11.808 -4.245 1.00 0.00 N ATOM 802 CA SER A 56 -7.385 11.328 -4.979 1.00 0.00 C ATOM 803 C SER A 56 -7.015 10.939 -6.407 1.00 0.00 C ATOM 804 O SER A 56 -7.796 10.293 -7.103 1.00 0.00 O ATOM 805 CB SER A 56 -8.473 12.400 -5.006 1.00 0.00 C ATOM 806 OG SER A 56 -7.947 13.591 -5.572 1.00 0.00 O ATOM 0 H SER A 56 -6.305 12.758 -3.885 1.00 0.00 H new ATOM 0 HA SER A 56 -7.761 10.444 -4.465 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.326 12.053 -5.589 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.834 12.593 -3.996 1.00 0.00 H new ATOM 0 HG SER A 56 -8.677 14.224 -5.739 1.00 0.00 H new ATOM 812 N THR A 57 -5.824 11.335 -6.844 1.00 0.00 N ATOM 813 CA THR A 57 -5.385 11.004 -8.194 1.00 0.00 C ATOM 814 C THR A 57 -4.585 9.706 -8.184 1.00 0.00 C ATOM 815 O THR A 57 -4.251 9.163 -9.238 1.00 0.00 O ATOM 816 CB THR A 57 -4.515 12.128 -8.764 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.228 12.073 -8.166 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.158 13.483 -8.466 1.00 0.00 C ATOM 0 H THR A 57 -5.156 11.876 -6.294 1.00 0.00 H new ATOM 0 HA THR A 57 -6.269 10.881 -8.820 1.00 0.00 H new ATOM 0 HB THR A 57 -4.425 12.004 -9.843 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.667 12.790 -8.530 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.535 14.279 -8.874 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.146 13.525 -8.924 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.252 13.612 -7.388 1.00 0.00 H new ATOM 826 N ALA A 58 -4.287 9.207 -6.988 1.00 0.00 N ATOM 827 CA ALA A 58 -3.532 7.967 -6.857 1.00 0.00 C ATOM 828 C ALA A 58 -4.457 6.765 -7.007 1.00 0.00 C ATOM 829 O ALA A 58 -5.501 6.693 -6.359 1.00 0.00 O ATOM 830 CB ALA A 58 -2.840 7.911 -5.492 1.00 0.00 C ATOM 0 H ALA A 58 -4.554 9.638 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.779 7.939 -7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.279 6.980 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.158 8.756 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.590 7.957 -4.702 1.00 0.00 H new ATOM 836 N THR A 59 -4.066 5.817 -7.851 1.00 0.00 N ATOM 837 CA THR A 59 -4.871 4.619 -8.055 1.00 0.00 C ATOM 838 C THR A 59 -4.005 3.372 -7.936 1.00 0.00 C ATOM 839 O THR A 59 -4.418 2.280 -8.326 1.00 0.00 O ATOM 840 CB THR A 59 -5.548 4.654 -9.426 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.626 5.125 -10.399 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.765 5.582 -9.370 1.00 0.00 C ATOM 0 H THR A 59 -3.207 5.853 -8.399 1.00 0.00 H new ATOM 0 HA THR A 59 -5.641 4.590 -7.285 1.00 0.00 H new ATOM 0 HB THR A 59 -5.874 3.650 -9.698 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.060 5.146 -11.278 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.248 5.608 -10.347 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.470 5.212 -8.626 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.444 6.587 -9.098 1.00 0.00 H new ATOM 850 N SER A 60 -2.806 3.540 -7.387 1.00 0.00 N ATOM 851 CA SER A 60 -1.892 2.421 -7.209 1.00 0.00 C ATOM 852 C SER A 60 -0.799 2.798 -6.220 1.00 0.00 C ATOM 853 O SER A 60 -0.299 3.924 -6.233 1.00 0.00 O ATOM 854 CB SER A 60 -1.262 2.032 -8.545 1.00 0.00 C ATOM 855 OG SER A 60 -0.304 3.016 -8.914 1.00 0.00 O ATOM 0 H SER A 60 -2.447 4.437 -7.059 1.00 0.00 H new ATOM 0 HA SER A 60 -2.453 1.571 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.785 1.055 -8.465 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.031 1.950 -9.313 1.00 0.00 H new ATOM 0 HG SER A 60 0.105 2.770 -9.770 1.00 0.00 H new ATOM 861 N VAL A 61 -0.431 1.855 -5.362 1.00 0.00 N ATOM 862 CA VAL A 61 0.605 2.113 -4.370 1.00 0.00 C ATOM 863 C VAL A 61 1.358 0.837 -4.032 1.00 0.00 C ATOM 864 O VAL A 61 0.774 -0.244 -3.968 1.00 0.00 O ATOM 865 CB VAL A 61 -0.018 2.680 -3.095 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.684 1.549 -2.307 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.071 3.324 -2.234 1.00 0.00 C ATOM 0 H VAL A 61 -0.828 0.916 -5.332 1.00 0.00 H new ATOM 0 HA VAL A 61 1.303 2.836 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.763 3.430 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.129 1.952 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.461 1.089 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.063 0.800 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.625 3.728 -1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.817 2.574 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.548 4.129 -2.793 1.00 0.00 H new ATOM 877 N ASN A 62 2.652 0.976 -3.798 1.00 0.00 N ATOM 878 CA ASN A 62 3.476 -0.167 -3.444 1.00 0.00 C ATOM 879 C ASN A 62 3.744 -0.143 -1.944 1.00 0.00 C ATOM 880 O ASN A 62 4.169 0.876 -1.407 1.00 0.00 O ATOM 881 CB ASN A 62 4.799 -0.114 -4.212 1.00 0.00 C ATOM 882 CG ASN A 62 5.542 -1.439 -4.073 1.00 0.00 C ATOM 883 OD1 ASN A 62 5.400 -2.147 -2.986 1.00 0.00 O flip ATOM 884 ND2 ASN A 62 6.275 -1.837 -4.978 1.00 0.00 N flip ATOM 0 H ASN A 62 3.152 1.864 -3.846 1.00 0.00 H new ATOM 0 HA ASN A 62 2.956 -1.088 -3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.609 0.096 -5.265 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.417 0.699 -3.831 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.385 -1.282 -5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.773 -2.722 -4.879 1.00 0.00 H new ATOM 891 N ILE A 63 3.479 -1.260 -1.271 1.00 0.00 N ATOM 892 CA ILE A 63 3.690 -1.342 0.171 1.00 0.00 C ATOM 893 C ILE A 63 5.031 -2.003 0.478 1.00 0.00 C ATOM 894 O ILE A 63 5.168 -3.218 0.347 1.00 0.00 O ATOM 895 CB ILE A 63 2.569 -2.159 0.814 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.236 -1.807 0.147 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.502 -1.834 2.307 1.00 0.00 C ATOM 898 CD1 ILE A 63 0.080 -2.235 1.053 1.00 0.00 C ATOM 0 H ILE A 63 3.121 -2.114 -1.697 1.00 0.00 H new ATOM 0 HA ILE A 63 3.689 -0.331 0.577 1.00 0.00 H new ATOM 0 HB ILE A 63 2.766 -3.223 0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.185 -0.735 -0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.158 -2.306 -0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.704 -2.414 2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.453 -2.085 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.301 -0.771 2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.868 -1.984 0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.128 -3.311 1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.155 -1.716 2.008 1.00 0.00 H new ATOM 910 N PRO A 64 6.018 -1.242 0.881 1.00 0.00 N ATOM 911 CA PRO A 64 7.356 -1.779 1.205 1.00 0.00 C ATOM 912 C PRO A 64 7.489 -2.153 2.678 1.00 0.00 C ATOM 913 O PRO A 64 6.575 -1.945 3.476 1.00 0.00 O ATOM 914 CB PRO A 64 8.272 -0.612 0.860 1.00 0.00 C ATOM 915 CG PRO A 64 7.470 0.612 1.169 1.00 0.00 C ATOM 916 CD PRO A 64 5.989 0.217 1.077 1.00 0.00 C ATOM 0 HA PRO A 64 7.581 -2.698 0.665 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.189 -0.642 1.448 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.566 -0.637 -0.189 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.707 0.987 2.165 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.700 1.411 0.464 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.447 0.487 1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.493 0.721 0.248 1.00 0.00 H new ATOM 924 N ASP A 65 8.647 -2.691 3.019 1.00 0.00 N ATOM 925 CA ASP A 65 8.939 -3.089 4.391 1.00 0.00 C ATOM 926 C ASP A 65 7.951 -4.137 4.898 1.00 0.00 C ATOM 927 O ASP A 65 7.585 -4.138 6.073 1.00 0.00 O ATOM 928 CB ASP A 65 8.889 -1.862 5.301 1.00 0.00 C ATOM 929 CG ASP A 65 9.965 -0.863 4.887 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.883 -1.267 4.193 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.854 0.289 5.268 1.00 0.00 O ATOM 0 H ASP A 65 9.407 -2.864 2.362 1.00 0.00 H new ATOM 0 HA ASP A 65 9.936 -3.530 4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.906 -1.395 5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.039 -2.162 6.338 1.00 0.00 H new ATOM 936 N LEU A 66 7.544 -5.045 4.016 1.00 0.00 N ATOM 937 CA LEU A 66 6.623 -6.110 4.403 1.00 0.00 C ATOM 938 C LEU A 66 7.407 -7.320 4.900 1.00 0.00 C ATOM 939 O LEU A 66 8.505 -7.595 4.416 1.00 0.00 O ATOM 940 CB LEU A 66 5.741 -6.511 3.220 1.00 0.00 C ATOM 941 CG LEU A 66 4.869 -5.324 2.805 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.941 -5.746 1.663 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.026 -4.874 4.001 1.00 0.00 C ATOM 0 H LEU A 66 7.833 -5.066 3.038 1.00 0.00 H new ATOM 0 HA LEU A 66 5.983 -5.743 5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.361 -6.830 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.113 -7.359 3.493 1.00 0.00 H new ATOM 0 HG LEU A 66 5.505 -4.503 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.320 -4.900 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.538 -6.073 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.304 -6.565 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.403 -4.028 3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.391 -5.697 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.683 -4.576 4.818 1.00 0.00 H new ATOM 955 N LEU A 67 6.852 -8.035 5.872 1.00 0.00 N ATOM 956 CA LEU A 67 7.527 -9.202 6.425 1.00 0.00 C ATOM 957 C LEU A 67 7.332 -10.427 5.531 1.00 0.00 C ATOM 958 O LEU A 67 6.203 -10.840 5.280 1.00 0.00 O ATOM 959 CB LEU A 67 6.956 -9.513 7.808 1.00 0.00 C ATOM 960 CG LEU A 67 7.344 -8.406 8.790 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.397 -8.431 9.990 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.778 -8.636 9.274 1.00 0.00 C ATOM 0 H LEU A 67 5.945 -7.829 6.290 1.00 0.00 H new ATOM 0 HA LEU A 67 8.592 -8.977 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.871 -9.599 7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.334 -10.473 8.160 1.00 0.00 H new ATOM 0 HG LEU A 67 7.275 -7.439 8.291 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.674 -7.642 10.689 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.374 -8.271 9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.467 -9.398 10.488 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.057 -7.848 9.974 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.843 -9.603 9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.457 -8.620 8.421 1.00 0.00 H new ATOM 974 N PRO A 68 8.399 -11.029 5.069 1.00 0.00 N ATOM 975 CA PRO A 68 8.311 -12.247 4.217 1.00 0.00 C ATOM 976 C PRO A 68 7.373 -13.297 4.820 1.00 0.00 C ATOM 977 O PRO A 68 6.727 -13.057 5.837 1.00 0.00 O ATOM 978 CB PRO A 68 9.747 -12.774 4.170 1.00 0.00 C ATOM 979 CG PRO A 68 10.626 -11.608 4.480 1.00 0.00 C ATOM 980 CD PRO A 68 9.795 -10.612 5.291 1.00 0.00 C ATOM 0 HA PRO A 68 7.905 -12.023 3.231 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.892 -13.575 4.895 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.979 -13.187 3.188 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.502 -11.927 5.045 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.990 -11.147 3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.056 -10.646 6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.962 -9.589 4.954 1.00 0.00 H new ATOM 988 N GLY A 69 7.332 -14.464 4.187 1.00 0.00 N ATOM 989 CA GLY A 69 6.505 -15.582 4.644 1.00 0.00 C ATOM 990 C GLY A 69 5.335 -15.161 5.543 1.00 0.00 C ATOM 991 O GLY A 69 4.953 -15.906 6.445 1.00 0.00 O ATOM 0 H GLY A 69 7.869 -14.665 3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.112 -16.109 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.133 -16.288 5.188 1.00 0.00 H new ATOM 995 N ARG A 70 4.754 -13.990 5.296 1.00 0.00 N ATOM 996 CA ARG A 70 3.618 -13.540 6.105 1.00 0.00 C ATOM 997 C ARG A 70 2.440 -13.165 5.214 1.00 0.00 C ATOM 998 O ARG A 70 2.622 -12.621 4.124 1.00 0.00 O ATOM 999 CB ARG A 70 4.011 -12.336 6.960 1.00 0.00 C ATOM 1000 CG ARG A 70 5.022 -12.766 8.022 1.00 0.00 C ATOM 1001 CD ARG A 70 4.282 -13.215 9.277 1.00 0.00 C ATOM 1002 NE ARG A 70 4.203 -12.116 10.230 1.00 0.00 N ATOM 1003 CZ ARG A 70 5.201 -11.864 11.069 1.00 0.00 C ATOM 1004 NH1 ARG A 70 6.264 -12.622 11.063 1.00 0.00 N ATOM 1005 NH2 ARG A 70 5.116 -10.861 11.901 1.00 0.00 N ATOM 0 H ARG A 70 5.041 -13.345 4.559 1.00 0.00 H new ATOM 0 HA ARG A 70 3.325 -14.362 6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.440 -11.556 6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.127 -11.912 7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.641 -13.579 7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.691 -11.939 8.258 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.279 -13.554 9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.797 -14.063 9.729 1.00 0.00 H new ATOM 0 HE ARG A 70 3.368 -11.531 10.253 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.327 -13.407 10.414 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.031 -12.430 11.707 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.283 -10.272 11.906 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.882 -10.667 12.546 1.00 0.00 H new ATOM 1019 N LYS A 71 1.228 -13.442 5.691 1.00 0.00 N ATOM 1020 CA LYS A 71 0.031 -13.109 4.933 1.00 0.00 C ATOM 1021 C LYS A 71 -0.579 -11.824 5.471 1.00 0.00 C ATOM 1022 O LYS A 71 -0.754 -11.665 6.679 1.00 0.00 O ATOM 1023 CB LYS A 71 -0.994 -14.241 5.019 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.140 -13.961 4.042 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.218 -15.037 4.188 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.229 -14.910 3.048 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.086 -16.128 3.006 1.00 0.00 N ATOM 0 H LYS A 71 1.053 -13.892 6.590 1.00 0.00 H new ATOM 0 HA LYS A 71 0.310 -12.970 3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.522 -15.194 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.379 -14.322 6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.566 -12.977 4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.763 -13.947 3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.762 -16.027 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.723 -14.932 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.846 -14.023 3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.709 -14.786 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.774 -16.042 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.491 -16.966 2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.593 -16.227 3.909 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.899 -10.913 4.570 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.491 -9.641 4.963 1.00 0.00 C ATOM 1043 C TYR A 72 -2.845 -9.433 4.299 1.00 0.00 C ATOM 1044 O TYR A 72 -3.070 -9.866 3.170 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.594 -8.481 4.534 1.00 0.00 C ATOM 1046 CG TYR A 72 0.661 -8.435 5.371 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.794 -9.159 4.981 1.00 0.00 C ATOM 1048 CD2 TYR A 72 0.695 -7.651 6.530 1.00 0.00 C ATOM 1049 CE1 TYR A 72 2.960 -9.100 5.754 1.00 0.00 C ATOM 1050 CE2 TYR A 72 1.861 -7.589 7.300 1.00 0.00 C ATOM 1051 CZ TYR A 72 2.992 -8.315 6.913 1.00 0.00 C ATOM 1052 OH TYR A 72 4.142 -8.251 7.672 1.00 0.00 O ATOM 0 H TYR A 72 -0.761 -11.026 3.566 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.605 -9.666 6.047 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.331 -8.589 3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.136 -7.541 4.632 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.769 -9.762 4.085 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.180 -7.093 6.830 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.834 -9.660 5.456 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.888 -6.981 8.192 1.00 0.00 H new ATOM 0 HH TYR A 72 4.366 -7.313 7.849 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.715 -8.711 4.987 1.00 0.00 N ATOM 1063 CA ILE A 73 -5.019 -8.374 4.439 1.00 0.00 C ATOM 1064 C ILE A 73 -4.969 -6.918 4.028 1.00 0.00 C ATOM 1065 O ILE A 73 -4.591 -6.066 4.821 1.00 0.00 O ATOM 1066 CB ILE A 73 -6.118 -8.578 5.479 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -6.128 -10.038 5.929 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.470 -8.220 4.859 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -7.077 -10.195 7.117 1.00 0.00 C ATOM 0 H ILE A 73 -3.542 -8.348 5.924 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.246 -9.018 3.590 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.932 -7.938 6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.445 -10.681 5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.122 -10.351 6.209 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.259 -8.364 5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.459 -7.178 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.657 -8.862 3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.086 -11.236 7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.739 -9.563 7.938 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.083 -9.898 6.821 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.322 -6.633 2.789 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.270 -5.263 2.312 1.00 0.00 C ATOM 1083 C VAL A 74 -6.659 -4.745 1.973 1.00 0.00 C ATOM 1084 O VAL A 74 -7.435 -5.405 1.282 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.379 -5.181 1.074 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.173 -3.713 0.699 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -3.022 -5.826 1.376 1.00 0.00 C ATOM 0 H VAL A 74 -5.643 -7.318 2.104 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.857 -4.643 3.108 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.853 -5.708 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.538 -3.649 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.138 -3.253 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.696 -3.189 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.387 -5.767 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.544 -5.299 2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.169 -6.871 1.649 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.952 -3.548 2.458 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.235 -2.919 2.202 1.00 0.00 C ATOM 1099 C ASN A 75 -8.009 -1.471 1.795 1.00 0.00 C ATOM 1100 O ASN A 75 -7.375 -0.707 2.523 1.00 0.00 O ATOM 1101 CB ASN A 75 -9.104 -2.979 3.459 1.00 0.00 C ATOM 1102 CG ASN A 75 -9.088 -4.391 4.030 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.738 -5.288 3.492 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.376 -4.644 5.093 1.00 0.00 N ATOM 0 H ASN A 75 -6.316 -2.994 3.032 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.746 -3.447 1.397 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.734 -2.272 4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.126 -2.685 3.220 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.356 -5.587 5.481 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.839 -3.899 5.536 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.515 -1.098 0.629 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.337 0.264 0.151 1.00 0.00 C ATOM 1113 C VAL A 76 -9.615 1.066 0.338 1.00 0.00 C ATOM 1114 O VAL A 76 -10.685 0.661 -0.113 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.959 0.251 -1.330 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.572 1.664 -1.771 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.777 -0.696 -1.548 1.00 0.00 C ATOM 0 H VAL A 76 -9.044 -1.708 0.005 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.538 0.730 0.728 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.810 -0.092 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.302 1.655 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.416 2.337 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.722 2.009 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.508 -0.705 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.925 -0.356 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.055 -1.703 -1.236 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.492 2.212 0.993 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.642 3.071 1.220 1.00 0.00 C ATOM 1129 C TYR A 77 -10.421 4.413 0.546 1.00 0.00 C ATOM 1130 O TYR A 77 -9.336 4.980 0.625 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.844 3.315 2.718 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.886 2.004 3.465 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -12.044 1.219 3.442 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.766 1.580 4.189 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -12.082 0.009 4.144 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.804 0.371 4.893 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.961 -0.415 4.869 1.00 0.00 C ATOM 1138 OH TYR A 77 -11.000 -1.607 5.563 1.00 0.00 O ATOM 0 H TYR A 77 -8.614 2.565 1.373 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.521 2.577 0.807 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.035 3.935 3.104 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.772 3.864 2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.908 1.547 2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.872 2.186 4.204 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.975 -0.598 4.127 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.941 0.045 5.454 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.141 -1.753 6.011 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.454 4.935 -0.091 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.332 6.231 -0.733 1.00 0.00 C ATOM 1150 C GLN A 78 -11.951 7.278 0.179 1.00 0.00 C ATOM 1151 O GLN A 78 -13.018 7.057 0.753 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.037 6.231 -2.091 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.518 6.564 -1.903 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.284 6.269 -3.186 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.627 5.968 -4.271 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.515 6.321 -3.200 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.369 4.492 -0.177 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.279 6.457 -0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.571 6.961 -2.753 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -11.931 5.256 -2.567 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -13.930 5.978 -1.081 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.632 7.614 -1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.025 6.557 -2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.024 6.128 -4.063 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.273 8.404 0.336 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.769 9.453 1.210 1.00 0.00 C ATOM 1167 C ILE A 79 -12.473 10.533 0.407 1.00 0.00 C ATOM 1168 O ILE A 79 -11.893 11.141 -0.493 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.608 10.057 1.997 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.881 8.931 2.730 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.140 11.069 3.011 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.689 9.496 3.500 1.00 0.00 C ATOM 0 H ILE A 79 -10.388 8.613 -0.125 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.489 9.019 1.904 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.924 10.566 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.565 8.431 3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.541 8.181 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.307 11.497 3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.672 11.863 2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.821 10.570 3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.176 8.687 4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.000 9.975 2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.039 10.230 4.226 1.00 0.00 H new ATOM 1184 N SER A 80 -13.733 10.755 0.745 1.00 0.00 N ATOM 1185 CA SER A 80 -14.537 11.750 0.067 1.00 0.00 C ATOM 1186 C SER A 80 -14.299 13.131 0.660 1.00 0.00 C ATOM 1187 O SER A 80 -13.688 13.269 1.719 1.00 0.00 O ATOM 1188 CB SER A 80 -16.012 11.377 0.182 1.00 0.00 C ATOM 1189 OG SER A 80 -16.404 11.426 1.545 1.00 0.00 O ATOM 0 H SER A 80 -14.220 10.255 1.489 1.00 0.00 H new ATOM 0 HA SER A 80 -14.250 11.777 -0.984 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.619 12.064 -0.408 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.179 10.378 -0.220 1.00 0.00 H new ATOM 0 HG SER A 80 -16.419 12.358 1.848 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.778 14.149 -0.039 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.610 15.522 0.412 1.00 0.00 C ATOM 1197 C GLU A 81 -15.219 15.719 1.797 1.00 0.00 C ATOM 1198 O GLU A 81 -14.836 16.634 2.525 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.271 16.478 -0.580 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.476 16.487 -1.886 1.00 0.00 C ATOM 1201 CD GLU A 81 -13.069 17.017 -1.633 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -12.876 17.664 -0.616 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -12.207 16.772 -2.460 1.00 0.00 O ATOM 0 H GLU A 81 -15.285 14.051 -0.919 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.543 15.735 0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.299 16.169 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.313 17.483 -0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -14.426 15.479 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.981 17.109 -2.625 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.169 14.862 2.157 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.812 14.973 3.460 1.00 0.00 C ATOM 1212 C ASP A 82 -16.074 14.133 4.501 1.00 0.00 C ATOM 1213 O ASP A 82 -16.445 14.120 5.676 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.270 14.518 3.361 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.326 13.030 3.043 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.340 12.357 3.288 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.353 12.586 2.555 1.00 0.00 O ATOM 0 H ASP A 82 -16.506 14.095 1.575 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.780 16.016 3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.787 14.718 4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.785 15.085 2.585 1.00 0.00 H new ATOM 1222 N GLY A 83 -15.017 13.449 4.069 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.223 12.629 4.980 1.00 0.00 C ATOM 1224 C GLY A 83 -14.789 11.218 5.127 1.00 0.00 C ATOM 1225 O GLY A 83 -14.370 10.466 6.007 1.00 0.00 O ATOM 0 H GLY A 83 -14.693 13.446 3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.198 12.571 4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.186 13.108 5.959 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.733 10.857 4.266 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.326 9.525 4.327 1.00 0.00 C ATOM 1231 C GLU A 84 -15.453 8.507 3.599 1.00 0.00 C ATOM 1232 O GLU A 84 -14.952 8.772 2.507 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.730 9.544 3.721 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.690 10.242 4.689 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.767 9.459 5.996 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.409 8.293 5.987 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.181 10.039 6.987 1.00 0.00 O ATOM 0 H GLU A 84 -16.101 11.457 3.528 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.395 9.230 5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.718 10.065 2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -18.068 8.526 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.349 11.259 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.681 10.318 4.241 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.277 7.342 4.216 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.464 6.285 3.623 1.00 0.00 C ATOM 1246 C GLN A 85 -15.335 5.161 3.081 1.00 0.00 C ATOM 1247 O GLN A 85 -16.366 4.821 3.662 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.504 5.712 4.666 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.342 6.679 4.891 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.466 6.179 6.035 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -11.956 5.509 6.944 1.00 0.00 O ATOM 1252 NE2 GLN A 85 -10.192 6.461 6.044 1.00 0.00 N ATOM 0 H GLN A 85 -15.684 7.107 5.121 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.900 6.723 2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -14.032 5.540 5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.125 4.746 4.332 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.750 6.768 3.980 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.724 7.673 5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.787 7.016 5.290 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.601 6.126 6.805 1.00 0.00 H new ATOM 1261 N SER A 86 -14.904 4.579 1.968 1.00 0.00 N ATOM 1262 CA SER A 86 -15.642 3.482 1.357 1.00 0.00 C ATOM 1263 C SER A 86 -14.683 2.418 0.844 1.00 0.00 C ATOM 1264 O SER A 86 -13.702 2.730 0.170 1.00 0.00 O ATOM 1265 CB SER A 86 -16.487 4.001 0.195 1.00 0.00 C ATOM 1266 OG SER A 86 -17.306 2.948 -0.293 1.00 0.00 O ATOM 0 H SER A 86 -14.053 4.847 1.474 1.00 0.00 H new ATOM 0 HA SER A 86 -16.293 3.043 2.113 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.105 4.836 0.524 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.843 4.375 -0.600 1.00 0.00 H new ATOM 0 HG SER A 86 -17.852 3.276 -1.038 1.00 0.00 H new ATOM 1272 N LEU A 87 -14.975 1.161 1.151 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.126 0.075 0.690 1.00 0.00 C ATOM 1274 C LEU A 87 -14.303 -0.108 -0.809 1.00 0.00 C ATOM 1275 O LEU A 87 -15.398 -0.417 -1.280 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.489 -1.224 1.414 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.555 -2.352 0.957 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.214 -2.239 1.685 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.190 -3.709 1.281 1.00 0.00 C ATOM 0 H LEU A 87 -15.780 0.873 1.708 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.087 0.321 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.407 -1.086 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.525 -1.490 1.205 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.395 -2.269 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.554 -3.042 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.756 -1.277 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.376 -2.318 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.525 -4.509 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.353 -3.787 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.145 -3.797 0.762 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.227 0.094 -1.556 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.290 -0.043 -3.003 1.00 0.00 C ATOM 1293 C ILE A 88 -12.546 -1.289 -3.462 1.00 0.00 C ATOM 1294 O ILE A 88 -12.806 -1.811 -4.546 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.685 1.197 -3.664 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.205 1.299 -3.292 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.415 2.451 -3.184 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.593 2.527 -3.969 1.00 0.00 C ATOM 0 H ILE A 88 -12.310 0.350 -1.189 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.335 -0.140 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.788 1.113 -4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.095 1.374 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.678 0.398 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.979 3.330 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.470 2.382 -3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.317 2.537 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.538 2.600 -3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.690 2.432 -5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.114 3.424 -3.635 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.622 -1.765 -2.637 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.858 -2.956 -2.994 1.00 0.00 C ATOM 1312 C LEU A 89 -10.314 -3.658 -1.755 1.00 0.00 C ATOM 1313 O LEU A 89 -9.549 -3.079 -0.986 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.695 -2.581 -3.913 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.011 -3.858 -4.410 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.890 -4.531 -5.465 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.654 -3.505 -5.025 1.00 0.00 C ATOM 0 H LEU A 89 -11.386 -1.355 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.532 -3.638 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.058 -1.997 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.980 -1.956 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.863 -4.540 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.403 -5.440 -5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.855 -4.784 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.039 -3.850 -6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.167 -4.414 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.800 -2.823 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.027 -3.027 -4.273 1.00 0.00 H new ATOM 1329 N SER A 90 -10.696 -4.920 -1.585 1.00 0.00 N ATOM 1330 CA SER A 90 -10.222 -5.707 -0.455 1.00 0.00 C ATOM 1331 C SER A 90 -9.622 -7.015 -0.959 1.00 0.00 C ATOM 1332 O SER A 90 -10.290 -7.783 -1.652 1.00 0.00 O ATOM 1333 CB SER A 90 -11.376 -6.010 0.499 1.00 0.00 C ATOM 1334 OG SER A 90 -10.906 -6.840 1.552 1.00 0.00 O ATOM 0 H SER A 90 -11.329 -5.416 -2.212 1.00 0.00 H new ATOM 0 HA SER A 90 -9.462 -5.136 0.078 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.782 -5.083 0.904 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.186 -6.505 -0.037 1.00 0.00 H new ATOM 0 HG SER A 90 -10.531 -6.283 2.265 1.00 0.00 H new ATOM 1340 N THR A 91 -8.363 -7.263 -0.618 1.00 0.00 N ATOM 1341 CA THR A 91 -7.699 -8.484 -1.057 1.00 0.00 C ATOM 1342 C THR A 91 -6.583 -8.861 -0.095 1.00 0.00 C ATOM 1343 O THR A 91 -6.061 -8.013 0.619 1.00 0.00 O ATOM 1344 CB THR A 91 -7.117 -8.286 -2.460 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.836 -9.554 -3.038 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.826 -7.469 -2.368 1.00 0.00 C ATOM 0 H THR A 91 -7.788 -6.644 -0.047 1.00 0.00 H new ATOM 0 HA THR A 91 -8.435 -9.288 -1.077 1.00 0.00 H new ATOM 0 HB THR A 91 -7.838 -7.754 -3.081 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.465 -9.429 -3.936 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.412 -7.329 -3.367 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.041 -6.497 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.103 -7.999 -1.747 1.00 0.00 H new ATOM 1354 N SER A 92 -6.208 -10.133 -0.096 1.00 0.00 N ATOM 1355 CA SER A 92 -5.135 -10.600 0.773 1.00 0.00 C ATOM 1356 C SER A 92 -3.966 -11.086 -0.068 1.00 0.00 C ATOM 1357 O SER A 92 -4.144 -11.513 -1.210 1.00 0.00 O ATOM 1358 CB SER A 92 -5.629 -11.736 1.667 1.00 0.00 C ATOM 1359 OG SER A 92 -5.983 -12.850 0.859 1.00 0.00 O ATOM 0 H SER A 92 -6.626 -10.855 -0.683 1.00 0.00 H new ATOM 0 HA SER A 92 -4.811 -9.771 1.402 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.852 -12.019 2.377 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.489 -11.407 2.250 1.00 0.00 H new ATOM 0 HG SER A 92 -6.299 -13.581 1.430 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.771 -11.020 0.499 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.584 -11.457 -0.215 1.00 0.00 C ATOM 1367 C GLN A 93 -0.659 -12.246 0.695 1.00 0.00 C ATOM 1368 O GLN A 93 -0.692 -12.103 1.917 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.818 -10.255 -0.765 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.601 -9.612 -1.907 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.737 -8.546 -2.570 1.00 0.00 C ATOM 1372 OE1 GLN A 93 -1.183 -7.416 -2.770 1.00 0.00 O ATOM 1373 NE2 GLN A 93 0.488 -8.843 -2.914 1.00 0.00 N ATOM 0 H GLN A 93 -2.599 -10.671 1.442 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.913 -12.095 -1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.652 -9.526 0.028 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.164 -10.570 -1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.890 -10.368 -2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.521 -9.167 -1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.852 -9.781 -2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.080 -8.137 -3.351 1.00 0.00 H new ATOM 1382 N THR A 94 0.177 -13.065 0.078 1.00 0.00 N ATOM 1383 CA THR A 94 1.137 -13.867 0.815 1.00 0.00 C ATOM 1384 C THR A 94 2.522 -13.663 0.218 1.00 0.00 C ATOM 1385 O THR A 94 2.805 -14.126 -0.888 1.00 0.00 O ATOM 1386 CB THR A 94 0.748 -15.346 0.741 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.646 -15.452 0.484 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.073 -16.039 2.066 1.00 0.00 C ATOM 0 H THR A 94 0.209 -13.191 -0.934 1.00 0.00 H new ATOM 0 HA THR A 94 1.143 -13.559 1.860 1.00 0.00 H new ATOM 0 HB THR A 94 1.310 -15.825 -0.061 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.898 -16.398 0.434 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.793 -17.091 2.005 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.141 -15.959 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.516 -15.562 2.872 1.00 0.00 H new ATOM 1396 N THR A 95 3.378 -12.956 0.944 1.00 0.00 N ATOM 1397 CA THR A 95 4.726 -12.689 0.461 1.00 0.00 C ATOM 1398 C THR A 95 5.425 -13.990 0.086 1.00 0.00 C ATOM 1399 O THR A 95 6.149 -13.989 -0.897 1.00 0.00 O ATOM 1400 CB THR A 95 5.535 -11.958 1.534 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.741 -12.824 2.641 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.774 -10.712 1.995 1.00 0.00 C ATOM 1403 OXT THR A 95 5.225 -14.970 0.784 1.00 0.00 O ATOM 0 H THR A 95 3.166 -12.561 1.860 1.00 0.00 H new ATOM 0 HA THR A 95 4.656 -12.059 -0.426 1.00 0.00 H new ATOM 0 HB THR A 95 6.498 -11.659 1.120 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.164 -13.611 2.552 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.353 -10.194 2.759 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.617 -10.047 1.146 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.810 -11.007 2.408 1.00 0.00 H new TER 1411 THR A 95