USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 949 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 49 SER OG : rot -23:sc= 0.332 USER MOD Set 1.2: A 89 ASN : amide:sc= 0.138 K(o=0.47,f=0.97) USER MOD Set 2.1: A 80 THR OG1 : rot -178:sc= 0.619 USER MOD Set 2.2: A 83 SER OG : rot 101:sc= 0.681 USER MOD Single : A 5 MET CE :methyl -112:sc= -0.103 (180deg=-2.02!) USER MOD Single : A 7 MET CE :methyl 180:sc= -0.992 (180deg=-0.992) USER MOD Single : A 10 TYR OH : rot 165:sc= 0 USER MOD Single : A 15 SER OG : rot -170:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0335) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= 1.71 (180deg=0.949) USER MOD Single : A 21 ASN : amide:sc= -1.01 K(o=-1,f=-5.6!) USER MOD Single : A 22 ASN : amide:sc= -0.916 K(o=-0.92,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00376 USER MOD Single : A 25 ASN : amide:sc= -0.787 X(o=-0.79,f=-0.3) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 69:sc= 1.25 USER MOD Single : A 41 ASN : amide:sc= -2.09! K(o=-2.1!,f=0.25) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 46:sc= 0.373 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 51 GLN : amide:sc= -0.0318 K(o=-0.032,f=-1.2!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.623 K(o=0.62,f=-3.6!) USER MOD Single : A 63 SER OG : rot 90:sc= -1.17 USER MOD Single : A 68 SER OG : rot -36:sc= 0.326 USER MOD Single : A 69 SER OG : rot 5:sc= -0.253 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 87 SER OG : rot 75:sc= 0.028 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.17) USER MOD Single : A 96 GLN : amide:sc= -2.22! K(o=-2.2!,f=-1.2) USER MOD Single : A 98 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-3.2!) USER MOD Single : A 99 CYS SG : rot 71:sc= -2.02 USER MOD Single : A 101 ASN : amide:sc= -0.0268 K(o=-0.027,f=-1.1) USER MOD Single : A 104 SER OG : rot 180:sc= -0.383 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 42:sc= 0.574 USER MOD Single : A 116 CYS SG : rot -130:sc= -1.43 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 4 5.640 10.259 -7.235 1.00 0.61 N ATOM 2 CA ALA A 4 4.795 9.249 -6.631 1.00 0.53 C ATOM 3 C ALA A 4 4.862 7.976 -7.462 1.00 0.44 C ATOM 4 O ALA A 4 4.066 7.777 -8.379 1.00 0.54 O ATOM 5 CB ALA A 4 3.361 9.754 -6.514 1.00 0.64 C ATOM 0 HA ALA A 4 5.151 9.031 -5.624 1.00 0.53 H new ATOM 0 HB1 ALA A 4 2.740 8.983 -6.058 1.00 0.64 H new ATOM 0 HB2 ALA A 4 3.340 10.650 -5.894 1.00 0.64 H new ATOM 0 HB3 ALA A 4 2.976 9.990 -7.506 1.00 0.64 H new ATOM 11 N MET A 5 5.827 7.130 -7.145 1.00 0.39 N ATOM 12 CA MET A 5 6.056 5.906 -7.898 1.00 0.37 C ATOM 13 C MET A 5 4.968 4.892 -7.591 1.00 0.30 C ATOM 14 O MET A 5 4.783 4.527 -6.439 1.00 0.29 O ATOM 15 CB MET A 5 7.412 5.307 -7.530 1.00 0.43 C ATOM 16 CG MET A 5 7.841 4.170 -8.444 1.00 1.01 C ATOM 17 SD MET A 5 9.473 3.523 -8.040 1.00 1.80 S ATOM 18 CE MET A 5 9.608 2.200 -9.234 1.00 1.60 C ATOM 0 H MET A 5 6.470 7.269 -6.365 1.00 0.39 H new ATOM 0 HA MET A 5 6.041 6.148 -8.961 1.00 0.37 H new ATOM 0 HB2 MET A 5 8.167 6.092 -7.561 1.00 0.43 H new ATOM 0 HB3 MET A 5 7.373 4.942 -6.504 1.00 0.43 H new ATOM 0 HG2 MET A 5 7.110 3.364 -8.380 1.00 1.01 H new ATOM 0 HG3 MET A 5 7.840 4.520 -9.476 1.00 1.01 H new ATOM 0 HE1 MET A 5 9.591 1.240 -8.717 1.00 1.60 H new ATOM 0 HE2 MET A 5 8.771 2.252 -9.931 1.00 1.60 H new ATOM 0 HE3 MET A 5 10.544 2.300 -9.783 1.00 1.60 H new ATOM 28 N PRO A 6 4.229 4.420 -8.604 1.00 0.30 N ATOM 29 CA PRO A 6 3.200 3.400 -8.402 1.00 0.28 C ATOM 30 C PRO A 6 3.753 2.217 -7.616 1.00 0.27 C ATOM 31 O PRO A 6 4.728 1.589 -8.030 1.00 0.30 O ATOM 32 CB PRO A 6 2.834 2.979 -9.827 1.00 0.32 C ATOM 33 CG PRO A 6 3.161 4.163 -10.670 1.00 0.47 C ATOM 34 CD PRO A 6 4.341 4.830 -10.017 1.00 0.36 C ATOM 0 HA PRO A 6 2.347 3.765 -7.831 1.00 0.28 H new ATOM 0 HB2 PRO A 6 3.402 2.103 -10.139 1.00 0.32 H new ATOM 0 HB3 PRO A 6 1.778 2.718 -9.904 1.00 0.32 H new ATOM 0 HG2 PRO A 6 3.400 3.861 -11.690 1.00 0.47 H new ATOM 0 HG3 PRO A 6 2.312 4.845 -10.730 1.00 0.47 H new ATOM 0 HD2 PRO A 6 5.282 4.501 -10.457 1.00 0.36 H new ATOM 0 HD3 PRO A 6 4.300 5.914 -10.125 1.00 0.36 H new ATOM 42 N MET A 7 3.135 1.921 -6.472 1.00 0.24 N ATOM 43 CA MET A 7 3.638 0.883 -5.580 1.00 0.24 C ATOM 44 C MET A 7 3.609 -0.471 -6.271 1.00 0.28 C ATOM 45 O MET A 7 4.476 -1.308 -6.045 1.00 0.32 O ATOM 46 CB MET A 7 2.823 0.835 -4.289 1.00 0.22 C ATOM 47 CG MET A 7 3.380 1.721 -3.185 1.00 0.31 C ATOM 48 SD MET A 7 4.940 1.100 -2.525 1.00 0.62 S ATOM 49 CE MET A 7 4.419 -0.449 -1.790 1.00 0.63 C ATOM 0 H MET A 7 2.288 2.385 -6.144 1.00 0.24 H new ATOM 0 HA MET A 7 4.670 1.125 -5.326 1.00 0.24 H new ATOM 0 HB2 MET A 7 1.798 1.138 -4.504 1.00 0.22 H new ATOM 0 HB3 MET A 7 2.783 -0.194 -3.932 1.00 0.22 H new ATOM 0 HG2 MET A 7 3.528 2.729 -3.572 1.00 0.31 H new ATOM 0 HG3 MET A 7 2.651 1.793 -2.378 1.00 0.31 H new ATOM 0 HE1 MET A 7 5.279 -0.946 -1.342 1.00 0.63 H new ATOM 0 HE2 MET A 7 3.671 -0.254 -1.021 1.00 0.63 H new ATOM 0 HE3 MET A 7 3.989 -1.090 -2.559 1.00 0.63 H new ATOM 59 N ILE A 8 2.610 -0.668 -7.124 1.00 0.29 N ATOM 60 CA ILE A 8 2.519 -1.872 -7.935 1.00 0.33 C ATOM 61 C ILE A 8 3.760 -2.022 -8.815 1.00 0.36 C ATOM 62 O ILE A 8 4.302 -3.116 -8.961 1.00 0.39 O ATOM 63 CB ILE A 8 1.243 -1.851 -8.810 1.00 0.37 C ATOM 64 CG1 ILE A 8 0.011 -2.183 -7.959 1.00 0.42 C ATOM 65 CG2 ILE A 8 1.357 -2.800 -9.994 1.00 0.47 C ATOM 66 CD1 ILE A 8 0.060 -3.557 -7.317 1.00 0.51 C ATOM 0 H ILE A 8 1.849 -0.005 -7.271 1.00 0.29 H new ATOM 0 HA ILE A 8 2.462 -2.728 -7.263 1.00 0.33 H new ATOM 0 HB ILE A 8 1.130 -0.845 -9.213 1.00 0.37 H new ATOM 0 HG12 ILE A 8 -0.092 -1.431 -7.177 1.00 0.42 H new ATOM 0 HG13 ILE A 8 -0.879 -2.116 -8.584 1.00 0.42 H new ATOM 0 HG21 ILE A 8 0.442 -2.757 -10.584 1.00 0.47 H new ATOM 0 HG22 ILE A 8 2.203 -2.507 -10.615 1.00 0.47 H new ATOM 0 HG23 ILE A 8 1.508 -3.817 -9.632 1.00 0.47 H new ATOM 0 HD11 ILE A 8 -0.846 -3.718 -6.732 1.00 0.51 H new ATOM 0 HD12 ILE A 8 0.131 -4.319 -8.093 1.00 0.51 H new ATOM 0 HD13 ILE A 8 0.930 -3.623 -6.664 1.00 0.51 H new ATOM 78 N GLU A 9 4.227 -0.903 -9.356 1.00 0.38 N ATOM 79 CA GLU A 9 5.407 -0.889 -10.214 1.00 0.42 C ATOM 80 C GLU A 9 6.660 -1.230 -9.409 1.00 0.39 C ATOM 81 O GLU A 9 7.514 -1.997 -9.857 1.00 0.39 O ATOM 82 CB GLU A 9 5.551 0.484 -10.877 1.00 0.50 C ATOM 83 CG GLU A 9 6.773 0.618 -11.767 1.00 0.66 C ATOM 84 CD GLU A 9 6.778 1.914 -12.557 1.00 0.86 C ATOM 85 OE1 GLU A 9 5.979 2.038 -13.510 1.00 0.83 O ATOM 86 OE2 GLU A 9 7.587 2.810 -12.235 1.00 1.72 O ATOM 0 H GLU A 9 3.803 0.014 -9.214 1.00 0.38 H new ATOM 0 HA GLU A 9 5.287 -1.645 -10.990 1.00 0.42 H new ATOM 0 HB2 GLU A 9 4.659 0.684 -11.471 1.00 0.50 H new ATOM 0 HB3 GLU A 9 5.595 1.248 -10.100 1.00 0.50 H new ATOM 0 HG2 GLU A 9 7.673 0.567 -11.154 1.00 0.66 H new ATOM 0 HG3 GLU A 9 6.810 -0.225 -12.457 1.00 0.66 H new ATOM 93 N TYR A 10 6.751 -0.659 -8.213 1.00 0.41 N ATOM 94 CA TYR A 10 7.862 -0.927 -7.308 1.00 0.42 C ATOM 95 C TYR A 10 7.885 -2.406 -6.922 1.00 0.43 C ATOM 96 O TYR A 10 8.948 -3.024 -6.817 1.00 0.45 O ATOM 97 CB TYR A 10 7.733 -0.045 -6.060 1.00 0.43 C ATOM 98 CG TYR A 10 8.841 -0.235 -5.046 1.00 0.44 C ATOM 99 CD1 TYR A 10 10.090 0.343 -5.237 1.00 0.47 C ATOM 100 CD2 TYR A 10 8.635 -0.985 -3.892 1.00 0.43 C ATOM 101 CE1 TYR A 10 11.103 0.177 -4.311 1.00 0.50 C ATOM 102 CE2 TYR A 10 9.643 -1.155 -2.962 1.00 0.45 C ATOM 103 CZ TYR A 10 10.875 -0.573 -3.175 1.00 0.47 C ATOM 104 OH TYR A 10 11.879 -0.743 -2.250 1.00 0.51 O ATOM 0 H TYR A 10 6.062 -0.002 -7.846 1.00 0.41 H new ATOM 0 HA TYR A 10 8.800 -0.692 -7.811 1.00 0.42 H new ATOM 0 HB2 TYR A 10 7.714 1.000 -6.368 1.00 0.43 H new ATOM 0 HB3 TYR A 10 6.777 -0.253 -5.580 1.00 0.43 H new ATOM 0 HD1 TYR A 10 10.273 0.932 -6.124 1.00 0.47 H new ATOM 0 HD2 TYR A 10 7.671 -1.442 -3.720 1.00 0.43 H new ATOM 0 HE1 TYR A 10 12.068 0.632 -4.476 1.00 0.50 H new ATOM 0 HE2 TYR A 10 9.467 -1.741 -2.072 1.00 0.45 H new ATOM 0 HH TYR A 10 11.499 -1.083 -1.413 1.00 0.51 H new ATOM 114 N LEU A 11 6.702 -2.970 -6.737 1.00 0.43 N ATOM 115 CA LEU A 11 6.577 -4.374 -6.378 1.00 0.46 C ATOM 116 C LEU A 11 6.944 -5.258 -7.558 1.00 0.44 C ATOM 117 O LEU A 11 7.738 -6.183 -7.424 1.00 0.48 O ATOM 118 CB LEU A 11 5.153 -4.689 -5.910 1.00 0.50 C ATOM 119 CG LEU A 11 4.703 -3.945 -4.652 1.00 0.58 C ATOM 120 CD1 LEU A 11 3.279 -4.330 -4.288 1.00 0.66 C ATOM 121 CD2 LEU A 11 5.650 -4.228 -3.494 1.00 0.77 C ATOM 0 H LEU A 11 5.814 -2.477 -6.830 1.00 0.43 H new ATOM 0 HA LEU A 11 7.265 -4.577 -5.558 1.00 0.46 H new ATOM 0 HB2 LEU A 11 4.461 -4.454 -6.719 1.00 0.50 H new ATOM 0 HB3 LEU A 11 5.076 -5.761 -5.726 1.00 0.50 H new ATOM 0 HG LEU A 11 4.727 -2.875 -4.857 1.00 0.58 H new ATOM 0 HD11 LEU A 11 2.975 -3.792 -3.391 1.00 0.66 H new ATOM 0 HD12 LEU A 11 2.611 -4.072 -5.110 1.00 0.66 H new ATOM 0 HD13 LEU A 11 3.228 -5.403 -4.102 1.00 0.66 H new ATOM 0 HD21 LEU A 11 5.313 -3.690 -2.608 1.00 0.77 H new ATOM 0 HD22 LEU A 11 5.661 -5.298 -3.286 1.00 0.77 H new ATOM 0 HD23 LEU A 11 6.655 -3.899 -3.757 1.00 0.77 H new ATOM 133 N GLU A 12 6.385 -4.932 -8.714 1.00 0.40 N ATOM 134 CA GLU A 12 6.571 -5.717 -9.927 1.00 0.40 C ATOM 135 C GLU A 12 8.047 -5.826 -10.309 1.00 0.44 C ATOM 136 O GLU A 12 8.592 -6.926 -10.441 1.00 0.49 O ATOM 137 CB GLU A 12 5.783 -5.057 -11.066 1.00 0.40 C ATOM 138 CG GLU A 12 5.894 -5.769 -12.400 1.00 0.43 C ATOM 139 CD GLU A 12 5.056 -5.116 -13.482 1.00 0.47 C ATOM 140 OE1 GLU A 12 5.575 -4.217 -14.180 1.00 0.59 O ATOM 141 OE2 GLU A 12 3.877 -5.504 -13.639 1.00 0.51 O ATOM 0 H GLU A 12 5.788 -4.114 -8.838 1.00 0.40 H new ATOM 0 HA GLU A 12 6.206 -6.728 -9.747 1.00 0.40 H new ATOM 0 HB2 GLU A 12 4.732 -5.006 -10.782 1.00 0.40 H new ATOM 0 HB3 GLU A 12 6.131 -4.031 -11.186 1.00 0.40 H new ATOM 0 HG2 GLU A 12 6.938 -5.784 -12.714 1.00 0.43 H new ATOM 0 HG3 GLU A 12 5.582 -6.807 -12.281 1.00 0.43 H new ATOM 148 N ARG A 13 8.699 -4.683 -10.433 1.00 0.45 N ATOM 149 CA ARG A 13 10.052 -4.634 -10.969 1.00 0.52 C ATOM 150 C ARG A 13 11.108 -5.029 -9.937 1.00 0.58 C ATOM 151 O ARG A 13 12.089 -5.689 -10.277 1.00 0.62 O ATOM 152 CB ARG A 13 10.342 -3.239 -11.525 1.00 0.56 C ATOM 153 CG ARG A 13 9.444 -2.872 -12.695 1.00 0.54 C ATOM 154 CD ARG A 13 9.699 -1.460 -13.189 1.00 0.67 C ATOM 155 NE ARG A 13 8.931 -1.159 -14.396 1.00 1.25 N ATOM 156 CZ ARG A 13 8.917 0.028 -15.000 1.00 1.51 C ATOM 157 NH1 ARG A 13 9.625 1.035 -14.509 1.00 1.38 N ATOM 158 NH2 ARG A 13 8.200 0.205 -16.102 1.00 2.48 N ATOM 0 H ARG A 13 8.315 -3.775 -10.170 1.00 0.45 H new ATOM 0 HA ARG A 13 10.110 -5.368 -11.773 1.00 0.52 H new ATOM 0 HB2 ARG A 13 10.215 -2.503 -10.731 1.00 0.56 H new ATOM 0 HB3 ARG A 13 11.383 -3.189 -11.843 1.00 0.56 H new ATOM 0 HG2 ARG A 13 9.607 -3.576 -13.511 1.00 0.54 H new ATOM 0 HG3 ARG A 13 8.401 -2.968 -12.395 1.00 0.54 H new ATOM 0 HD2 ARG A 13 9.438 -0.748 -12.406 1.00 0.67 H new ATOM 0 HD3 ARG A 13 10.762 -1.333 -13.394 1.00 0.67 H new ATOM 0 HE ARG A 13 8.369 -1.907 -14.802 1.00 1.25 H new ATOM 0 HH11 ARG A 13 10.183 0.903 -13.666 1.00 1.38 H new ATOM 0 HH12 ARG A 13 9.612 1.943 -14.974 1.00 1.38 H new ATOM 0 HH21 ARG A 13 7.658 -0.568 -16.488 1.00 2.48 H new ATOM 0 HH22 ARG A 13 8.190 1.115 -16.563 1.00 2.48 H new ATOM 172 N PHE A 14 10.907 -4.646 -8.683 1.00 0.60 N ATOM 173 CA PHE A 14 11.942 -4.834 -7.671 1.00 0.69 C ATOM 174 C PHE A 14 11.643 -5.996 -6.723 1.00 0.71 C ATOM 175 O PHE A 14 12.501 -6.846 -6.487 1.00 0.83 O ATOM 176 CB PHE A 14 12.132 -3.546 -6.862 1.00 0.72 C ATOM 177 CG PHE A 14 12.607 -2.381 -7.687 1.00 0.73 C ATOM 178 CD1 PHE A 14 13.958 -2.199 -7.943 1.00 0.87 C ATOM 179 CD2 PHE A 14 11.705 -1.467 -8.203 1.00 0.64 C ATOM 180 CE1 PHE A 14 14.396 -1.126 -8.697 1.00 0.91 C ATOM 181 CE2 PHE A 14 12.137 -0.393 -8.956 1.00 0.67 C ATOM 182 CZ PHE A 14 13.489 -0.234 -9.216 1.00 0.81 C ATOM 0 H PHE A 14 10.050 -4.209 -8.344 1.00 0.60 H new ATOM 0 HA PHE A 14 12.860 -5.080 -8.205 1.00 0.69 H new ATOM 0 HB2 PHE A 14 11.187 -3.283 -6.387 1.00 0.72 H new ATOM 0 HB3 PHE A 14 12.850 -3.731 -6.063 1.00 0.72 H new ATOM 0 HD1 PHE A 14 14.676 -2.903 -7.549 1.00 0.87 H new ATOM 0 HD2 PHE A 14 10.649 -1.595 -8.014 1.00 0.64 H new ATOM 0 HE1 PHE A 14 15.452 -0.989 -8.878 1.00 0.91 H new ATOM 0 HE2 PHE A 14 11.424 0.321 -9.341 1.00 0.67 H new ATOM 0 HZ PHE A 14 13.829 0.590 -9.826 1.00 0.81 H new ATOM 192 N SER A 15 10.436 -6.039 -6.184 1.00 0.63 N ATOM 193 CA SER A 15 10.114 -6.998 -5.133 1.00 0.67 C ATOM 194 C SER A 15 9.779 -8.382 -5.695 1.00 0.69 C ATOM 195 O SER A 15 10.161 -9.403 -5.122 1.00 0.78 O ATOM 196 CB SER A 15 8.955 -6.468 -4.293 1.00 0.65 C ATOM 197 OG SER A 15 9.267 -5.194 -3.748 1.00 1.36 O ATOM 0 H SER A 15 9.666 -5.427 -6.452 1.00 0.63 H new ATOM 0 HA SER A 15 10.998 -7.115 -4.506 1.00 0.67 H new ATOM 0 HB2 SER A 15 8.058 -6.395 -4.908 1.00 0.65 H new ATOM 0 HB3 SER A 15 8.734 -7.169 -3.488 1.00 0.65 H new ATOM 0 HG SER A 15 8.585 -4.943 -3.091 1.00 1.36 H new ATOM 203 N LEU A 16 9.072 -8.412 -6.812 1.00 0.63 N ATOM 204 CA LEU A 16 8.634 -9.669 -7.407 1.00 0.68 C ATOM 205 C LEU A 16 9.663 -10.229 -8.377 1.00 0.79 C ATOM 206 O LEU A 16 9.938 -11.430 -8.362 1.00 0.89 O ATOM 207 CB LEU A 16 7.311 -9.469 -8.145 1.00 0.62 C ATOM 208 CG LEU A 16 6.080 -9.283 -7.262 1.00 0.60 C ATOM 209 CD1 LEU A 16 4.890 -8.874 -8.107 1.00 1.24 C ATOM 210 CD2 LEU A 16 5.769 -10.565 -6.510 1.00 1.20 C ATOM 0 H LEU A 16 8.787 -7.580 -7.328 1.00 0.63 H new ATOM 0 HA LEU A 16 8.507 -10.383 -6.593 1.00 0.68 H new ATOM 0 HB2 LEU A 16 7.406 -8.597 -8.792 1.00 0.62 H new ATOM 0 HB3 LEU A 16 7.144 -10.330 -8.792 1.00 0.62 H new ATOM 0 HG LEU A 16 6.287 -8.496 -6.537 1.00 0.60 H new ATOM 0 HD11 LEU A 16 4.017 -8.744 -7.467 1.00 1.24 H new ATOM 0 HD12 LEU A 16 5.110 -7.935 -8.616 1.00 1.24 H new ATOM 0 HD13 LEU A 16 4.686 -9.648 -8.847 1.00 1.24 H new ATOM 0 HD21 LEU A 16 4.889 -10.416 -5.885 1.00 1.20 H new ATOM 0 HD22 LEU A 16 5.576 -11.367 -7.222 1.00 1.20 H new ATOM 0 HD23 LEU A 16 6.618 -10.834 -5.882 1.00 1.20 H new ATOM 222 N LYS A 17 10.220 -9.353 -9.214 1.00 0.83 N ATOM 223 CA LYS A 17 11.046 -9.774 -10.348 1.00 0.97 C ATOM 224 C LYS A 17 10.186 -10.601 -11.301 1.00 1.01 C ATOM 225 O LYS A 17 10.646 -11.545 -11.947 1.00 1.15 O ATOM 226 CB LYS A 17 12.289 -10.552 -9.892 1.00 1.10 C ATOM 227 CG LYS A 17 13.241 -9.729 -9.032 1.00 1.13 C ATOM 228 CD LYS A 17 13.716 -8.477 -9.757 1.00 1.17 C ATOM 229 CE LYS A 17 14.665 -7.652 -8.899 1.00 1.61 C ATOM 230 NZ LYS A 17 15.971 -8.334 -8.695 1.00 2.03 N ATOM 0 H LYS A 17 10.114 -8.342 -9.128 1.00 0.83 H new ATOM 0 HA LYS A 17 11.415 -8.890 -10.868 1.00 0.97 H new ATOM 0 HB2 LYS A 17 11.972 -11.430 -9.330 1.00 1.10 H new ATOM 0 HB3 LYS A 17 12.825 -10.912 -10.770 1.00 1.10 H new ATOM 0 HG2 LYS A 17 12.742 -9.446 -8.106 1.00 1.13 H new ATOM 0 HG3 LYS A 17 14.102 -10.339 -8.757 1.00 1.13 H new ATOM 0 HD2 LYS A 17 14.217 -8.761 -10.683 1.00 1.17 H new ATOM 0 HD3 LYS A 17 12.855 -7.869 -10.034 1.00 1.17 H new ATOM 0 HE2 LYS A 17 14.832 -6.684 -9.372 1.00 1.61 H new ATOM 0 HE3 LYS A 17 14.203 -7.458 -7.931 1.00 1.61 H new ATOM 0 HZ1 LYS A 17 16.627 -7.690 -8.208 1.00 2.03 H new ATOM 0 HZ2 LYS A 17 15.831 -9.187 -8.117 1.00 2.03 H new ATOM 0 HZ3 LYS A 17 16.370 -8.602 -9.617 1.00 2.03 H new ATOM 244 N ALA A 18 8.919 -10.212 -11.357 1.00 0.95 N ATOM 245 CA ALA A 18 7.905 -10.844 -12.186 1.00 1.03 C ATOM 246 C ALA A 18 6.805 -9.820 -12.419 1.00 1.02 C ATOM 247 O ALA A 18 6.806 -8.777 -11.768 1.00 1.34 O ATOM 248 CB ALA A 18 7.353 -12.086 -11.502 1.00 1.06 C ATOM 0 H ALA A 18 8.560 -9.428 -10.812 1.00 0.95 H new ATOM 0 HA ALA A 18 8.332 -11.164 -13.137 1.00 1.03 H new ATOM 0 HB1 ALA A 18 6.596 -12.545 -12.137 1.00 1.06 H new ATOM 0 HB2 ALA A 18 8.162 -12.796 -11.330 1.00 1.06 H new ATOM 0 HB3 ALA A 18 6.906 -11.807 -10.548 1.00 1.06 H new ATOM 254 N LYS A 19 5.871 -10.088 -13.320 1.00 0.80 N ATOM 255 CA LYS A 19 4.890 -9.070 -13.655 1.00 0.77 C ATOM 256 C LYS A 19 3.672 -9.134 -12.741 1.00 0.64 C ATOM 257 O LYS A 19 3.207 -10.215 -12.372 1.00 0.74 O ATOM 258 CB LYS A 19 4.435 -9.157 -15.108 1.00 0.93 C ATOM 259 CG LYS A 19 3.945 -7.811 -15.596 1.00 1.52 C ATOM 260 CD LYS A 19 2.741 -7.904 -16.505 1.00 1.71 C ATOM 261 CE LYS A 19 2.134 -6.525 -16.716 1.00 1.93 C ATOM 262 NZ LYS A 19 1.776 -5.871 -15.426 1.00 2.69 N ATOM 0 H LYS A 19 5.773 -10.973 -13.818 1.00 0.80 H new ATOM 0 HA LYS A 19 5.394 -8.115 -13.509 1.00 0.77 H new ATOM 0 HB2 LYS A 19 5.260 -9.498 -15.733 1.00 0.93 H new ATOM 0 HB3 LYS A 19 3.639 -9.895 -15.201 1.00 0.93 H new ATOM 0 HG2 LYS A 19 3.694 -7.190 -14.736 1.00 1.52 H new ATOM 0 HG3 LYS A 19 4.754 -7.309 -16.127 1.00 1.52 H new ATOM 0 HD2 LYS A 19 3.033 -8.332 -17.464 1.00 1.71 H new ATOM 0 HD3 LYS A 19 1.999 -8.573 -16.070 1.00 1.71 H new ATOM 0 HE2 LYS A 19 2.841 -5.896 -17.258 1.00 1.93 H new ATOM 0 HE3 LYS A 19 1.243 -6.612 -17.338 1.00 1.93 H new ATOM 0 HZ1 LYS A 19 1.159 -5.054 -15.610 1.00 2.69 H new ATOM 0 HZ2 LYS A 19 1.277 -6.552 -14.818 1.00 2.69 H new ATOM 0 HZ3 LYS A 19 2.642 -5.550 -14.948 1.00 2.69 H new ATOM 276 N ILE A 20 3.162 -7.957 -12.393 1.00 0.57 N ATOM 277 CA ILE A 20 1.978 -7.834 -11.558 1.00 0.52 C ATOM 278 C ILE A 20 0.723 -8.131 -12.347 1.00 0.54 C ATOM 279 O ILE A 20 0.573 -7.687 -13.488 1.00 0.64 O ATOM 280 CB ILE A 20 1.869 -6.419 -10.943 1.00 0.56 C ATOM 281 CG1 ILE A 20 2.637 -6.374 -9.640 1.00 0.46 C ATOM 282 CG2 ILE A 20 0.422 -5.999 -10.724 1.00 0.92 C ATOM 283 CD1 ILE A 20 2.000 -7.182 -8.528 1.00 0.72 C ATOM 0 H ILE A 20 3.559 -7.064 -12.683 1.00 0.57 H new ATOM 0 HA ILE A 20 2.077 -8.563 -10.754 1.00 0.52 H new ATOM 0 HB ILE A 20 2.302 -5.711 -11.649 1.00 0.56 H new ATOM 0 HG12 ILE A 20 3.648 -6.743 -9.812 1.00 0.46 H new ATOM 0 HG13 ILE A 20 2.727 -5.337 -9.317 1.00 0.46 H new ATOM 0 HG21 ILE A 20 0.395 -4.999 -10.291 1.00 0.92 H new ATOM 0 HG22 ILE A 20 -0.104 -5.995 -11.679 1.00 0.92 H new ATOM 0 HG23 ILE A 20 -0.062 -6.702 -10.046 1.00 0.92 H new ATOM 0 HD11 ILE A 20 2.607 -7.102 -7.626 1.00 0.72 H new ATOM 0 HD12 ILE A 20 0.999 -6.799 -8.327 1.00 0.72 H new ATOM 0 HD13 ILE A 20 1.935 -8.227 -8.829 1.00 0.72 H new ATOM 295 N ASN A 21 -0.170 -8.886 -11.732 1.00 0.58 N ATOM 296 CA ASN A 21 -1.471 -9.127 -12.304 1.00 0.72 C ATOM 297 C ASN A 21 -2.400 -9.689 -11.228 1.00 0.78 C ATOM 298 O ASN A 21 -1.982 -9.864 -10.087 1.00 0.77 O ATOM 299 CB ASN A 21 -1.361 -10.096 -13.491 1.00 0.80 C ATOM 300 CG ASN A 21 -2.606 -10.135 -14.365 1.00 1.21 C ATOM 301 OD1 ASN A 21 -3.502 -10.953 -14.152 1.00 1.78 O ATOM 302 ND2 ASN A 21 -2.663 -9.263 -15.357 1.00 1.71 N ATOM 0 H ASN A 21 -0.011 -9.342 -10.833 1.00 0.58 H new ATOM 0 HA ASN A 21 -1.885 -8.189 -12.674 1.00 0.72 H new ATOM 0 HB2 ASN A 21 -0.506 -9.810 -14.104 1.00 0.80 H new ATOM 0 HB3 ASN A 21 -1.161 -11.099 -13.113 1.00 0.80 H new ATOM 0 HD21 ASN A 21 -3.471 -9.251 -15.980 1.00 1.71 H new ATOM 0 HD22 ASN A 21 -1.899 -8.602 -15.499 1.00 1.71 H new ATOM 309 N ASN A 22 -3.638 -9.979 -11.585 1.00 0.97 N ATOM 310 CA ASN A 22 -4.589 -10.577 -10.654 1.00 1.09 C ATOM 311 C ASN A 22 -4.250 -12.053 -10.428 1.00 1.03 C ATOM 312 O ASN A 22 -4.647 -12.650 -9.430 1.00 1.07 O ATOM 313 CB ASN A 22 -6.014 -10.428 -11.209 1.00 1.41 C ATOM 314 CG ASN A 22 -7.103 -10.898 -10.256 1.00 1.73 C ATOM 315 OD1 ASN A 22 -8.163 -11.352 -10.690 1.00 2.31 O ATOM 316 ND2 ASN A 22 -6.868 -10.777 -8.958 1.00 2.35 N ATOM 0 H ASN A 22 -4.014 -9.810 -12.518 1.00 0.97 H new ATOM 0 HA ASN A 22 -4.528 -10.062 -9.695 1.00 1.09 H new ATOM 0 HB2 ASN A 22 -6.189 -9.381 -11.456 1.00 1.41 H new ATOM 0 HB3 ASN A 22 -6.091 -10.992 -12.139 1.00 1.41 H new ATOM 0 HD21 ASN A 22 -7.576 -11.064 -8.283 1.00 2.35 H new ATOM 0 HD22 ASN A 22 -5.979 -10.397 -8.634 1.00 2.35 H new ATOM 323 N THR A 23 -3.481 -12.621 -11.350 1.00 1.00 N ATOM 324 CA THR A 23 -3.159 -14.043 -11.318 1.00 1.05 C ATOM 325 C THR A 23 -1.995 -14.361 -10.368 1.00 1.02 C ATOM 326 O THR A 23 -1.897 -15.479 -9.861 1.00 1.21 O ATOM 327 CB THR A 23 -2.832 -14.568 -12.732 1.00 1.19 C ATOM 328 OG1 THR A 23 -2.576 -15.978 -12.703 1.00 1.51 O ATOM 329 CG2 THR A 23 -1.626 -13.846 -13.300 1.00 1.79 C ATOM 0 H THR A 23 -3.067 -12.115 -12.133 1.00 1.00 H new ATOM 0 HA THR A 23 -4.047 -14.550 -10.939 1.00 1.05 H new ATOM 0 HB THR A 23 -3.696 -14.378 -13.369 1.00 1.19 H new ATOM 0 HG1 THR A 23 -2.372 -16.292 -13.609 1.00 1.51 H new ATOM 0 HG21 THR A 23 -1.409 -14.229 -14.297 1.00 1.79 H new ATOM 0 HG22 THR A 23 -1.836 -12.778 -13.359 1.00 1.79 H new ATOM 0 HG23 THR A 23 -0.765 -14.012 -12.653 1.00 1.79 H new ATOM 337 N THR A 24 -1.122 -13.387 -10.109 1.00 0.87 N ATOM 338 CA THR A 24 0.050 -13.642 -9.274 1.00 0.91 C ATOM 339 C THR A 24 -0.359 -13.806 -7.807 1.00 0.98 C ATOM 340 O THR A 24 -1.392 -13.281 -7.378 1.00 1.91 O ATOM 341 CB THR A 24 1.129 -12.538 -9.433 1.00 0.88 C ATOM 342 OG1 THR A 24 2.240 -12.794 -8.567 1.00 1.37 O ATOM 343 CG2 THR A 24 0.570 -11.160 -9.143 1.00 1.74 C ATOM 0 H THR A 24 -1.201 -12.432 -10.458 1.00 0.87 H new ATOM 0 HA THR A 24 0.498 -14.576 -9.614 1.00 0.91 H new ATOM 0 HB THR A 24 1.462 -12.560 -10.471 1.00 0.88 H new ATOM 0 HG1 THR A 24 2.912 -12.090 -8.680 1.00 1.37 H new ATOM 0 HG21 THR A 24 1.356 -10.415 -9.265 1.00 1.74 H new ATOM 0 HG22 THR A 24 -0.244 -10.945 -9.835 1.00 1.74 H new ATOM 0 HG23 THR A 24 0.195 -11.127 -8.120 1.00 1.74 H new ATOM 351 N ASN A 25 0.452 -14.553 -7.057 1.00 0.72 N ATOM 352 CA ASN A 25 0.130 -14.946 -5.684 1.00 0.79 C ATOM 353 C ASN A 25 0.307 -13.786 -4.702 1.00 0.73 C ATOM 354 O ASN A 25 1.051 -13.873 -3.721 1.00 0.72 O ATOM 355 CB ASN A 25 0.988 -16.157 -5.268 1.00 1.00 C ATOM 356 CG ASN A 25 2.489 -15.908 -5.363 1.00 1.96 C ATOM 357 OD1 ASN A 25 3.136 -15.538 -4.383 1.00 2.69 O ATOM 358 ND2 ASN A 25 3.058 -16.122 -6.542 1.00 2.58 N ATOM 0 H ASN A 25 1.352 -14.903 -7.385 1.00 0.72 H new ATOM 0 HA ASN A 25 -0.922 -15.230 -5.653 1.00 0.79 H new ATOM 0 HB2 ASN A 25 0.739 -16.432 -4.243 1.00 1.00 H new ATOM 0 HB3 ASN A 25 0.729 -17.008 -5.899 1.00 1.00 H new ATOM 0 HD21 ASN A 25 4.062 -15.980 -6.657 1.00 2.58 H new ATOM 0 HD22 ASN A 25 2.492 -16.428 -7.333 1.00 2.58 H new ATOM 365 N LEU A 26 -0.423 -12.712 -4.943 1.00 0.82 N ATOM 366 CA LEU A 26 -0.300 -11.516 -4.135 1.00 0.88 C ATOM 367 C LEU A 26 -0.975 -11.667 -2.775 1.00 0.83 C ATOM 368 O LEU A 26 -0.802 -10.808 -1.916 1.00 0.86 O ATOM 369 CB LEU A 26 -0.857 -10.303 -4.873 1.00 1.08 C ATOM 370 CG LEU A 26 -0.043 -9.851 -6.084 1.00 1.91 C ATOM 371 CD1 LEU A 26 -0.712 -8.674 -6.770 1.00 2.89 C ATOM 372 CD2 LEU A 26 1.373 -9.489 -5.665 1.00 2.33 C ATOM 0 H LEU A 26 -1.109 -12.645 -5.695 1.00 0.82 H new ATOM 0 HA LEU A 26 0.764 -11.362 -3.956 1.00 0.88 H new ATOM 0 HB2 LEU A 26 -1.871 -10.531 -5.201 1.00 1.08 H new ATOM 0 HB3 LEU A 26 -0.928 -9.472 -4.172 1.00 1.08 H new ATOM 0 HG LEU A 26 0.006 -10.677 -6.793 1.00 1.91 H new ATOM 0 HD11 LEU A 26 -0.116 -8.367 -7.630 1.00 2.89 H new ATOM 0 HD12 LEU A 26 -1.708 -8.965 -7.104 1.00 2.89 H new ATOM 0 HD13 LEU A 26 -0.793 -7.843 -6.070 1.00 2.89 H new ATOM 0 HD21 LEU A 26 1.940 -9.169 -6.539 1.00 2.33 H new ATOM 0 HD22 LEU A 26 1.341 -8.679 -4.936 1.00 2.33 H new ATOM 0 HD23 LEU A 26 1.854 -10.359 -5.219 1.00 2.33 H new ATOM 384 N ASP A 27 -1.737 -12.745 -2.575 1.00 0.81 N ATOM 385 CA ASP A 27 -2.294 -13.034 -1.250 1.00 0.84 C ATOM 386 C ASP A 27 -1.158 -13.253 -0.267 1.00 0.70 C ATOM 387 O ASP A 27 -1.044 -12.586 0.760 1.00 0.67 O ATOM 388 CB ASP A 27 -3.139 -14.316 -1.266 1.00 1.02 C ATOM 389 CG ASP A 27 -4.539 -14.140 -1.812 1.00 1.52 C ATOM 390 OD1 ASP A 27 -4.724 -14.293 -3.037 1.00 2.28 O ATOM 391 OD2 ASP A 27 -5.464 -13.895 -1.013 1.00 2.00 O ATOM 0 H ASP A 27 -1.980 -13.422 -3.299 1.00 0.81 H new ATOM 0 HA ASP A 27 -2.919 -12.189 -0.962 1.00 0.84 H new ATOM 0 HB2 ASP A 27 -2.623 -15.069 -1.862 1.00 1.02 H new ATOM 0 HB3 ASP A 27 -3.206 -14.705 -0.250 1.00 1.02 H new ATOM 396 N TYR A 28 -0.292 -14.175 -0.634 1.00 0.69 N ATOM 397 CA TYR A 28 0.819 -14.564 0.210 1.00 0.70 C ATOM 398 C TYR A 28 1.908 -13.506 0.174 1.00 0.63 C ATOM 399 O TYR A 28 2.657 -13.339 1.135 1.00 0.68 O ATOM 400 CB TYR A 28 1.325 -15.937 -0.225 1.00 0.81 C ATOM 401 CG TYR A 28 0.205 -16.955 -0.239 1.00 1.05 C ATOM 402 CD1 TYR A 28 -0.283 -17.489 0.948 1.00 1.16 C ATOM 403 CD2 TYR A 28 -0.393 -17.351 -1.430 1.00 1.57 C ATOM 404 CE1 TYR A 28 -1.332 -18.386 0.949 1.00 1.61 C ATOM 405 CE2 TYR A 28 -1.440 -18.255 -1.437 1.00 2.15 C ATOM 406 CZ TYR A 28 -1.907 -18.766 -0.242 1.00 2.13 C ATOM 407 OH TYR A 28 -2.962 -19.653 -0.237 1.00 2.73 O ATOM 0 H TYR A 28 -0.338 -14.674 -1.522 1.00 0.69 H new ATOM 0 HA TYR A 28 0.492 -14.641 1.247 1.00 0.70 H new ATOM 0 HB2 TYR A 28 1.768 -15.866 -1.219 1.00 0.81 H new ATOM 0 HB3 TYR A 28 2.112 -16.268 0.452 1.00 0.81 H new ATOM 0 HD1 TYR A 28 0.166 -17.197 1.886 1.00 1.16 H new ATOM 0 HD2 TYR A 28 -0.034 -16.946 -2.365 1.00 1.57 H new ATOM 0 HE1 TYR A 28 -1.700 -18.788 1.881 1.00 1.61 H new ATOM 0 HE2 TYR A 28 -1.889 -18.559 -2.371 1.00 2.15 H new ATOM 0 HH TYR A 28 -3.255 -19.818 -1.157 1.00 2.73 H new ATOM 417 N SER A 29 1.967 -12.770 -0.930 1.00 0.59 N ATOM 418 CA SER A 29 2.923 -11.682 -1.058 1.00 0.62 C ATOM 419 C SER A 29 2.551 -10.531 -0.131 1.00 0.51 C ATOM 420 O SER A 29 3.402 -9.987 0.563 1.00 0.53 O ATOM 421 CB SER A 29 2.998 -11.183 -2.494 1.00 0.73 C ATOM 422 OG SER A 29 3.254 -12.247 -3.395 1.00 0.81 O ATOM 0 H SER A 29 1.367 -12.907 -1.743 1.00 0.59 H new ATOM 0 HA SER A 29 3.902 -12.067 -0.774 1.00 0.62 H new ATOM 0 HB2 SER A 29 2.061 -10.695 -2.761 1.00 0.73 H new ATOM 0 HB3 SER A 29 3.784 -10.433 -2.580 1.00 0.73 H new ATOM 0 HG SER A 29 2.473 -12.838 -3.434 1.00 0.81 H new ATOM 428 N ARG A 30 1.268 -10.177 -0.114 1.00 0.48 N ATOM 429 CA ARG A 30 0.766 -9.132 0.774 1.00 0.45 C ATOM 430 C ARG A 30 0.989 -9.540 2.236 1.00 0.46 C ATOM 431 O ARG A 30 1.155 -8.701 3.111 1.00 0.56 O ATOM 432 CB ARG A 30 -0.727 -8.875 0.503 1.00 0.52 C ATOM 433 CG ARG A 30 -1.070 -7.508 -0.105 1.00 0.49 C ATOM 434 CD ARG A 30 -0.221 -7.170 -1.320 1.00 0.76 C ATOM 435 NE ARG A 30 -0.863 -7.574 -2.574 1.00 1.55 N ATOM 436 CZ ARG A 30 -1.984 -7.021 -3.050 1.00 2.24 C ATOM 437 NH1 ARG A 30 -2.653 -6.125 -2.330 1.00 2.43 N ATOM 438 NH2 ARG A 30 -2.453 -7.382 -4.234 1.00 3.24 N ATOM 0 H ARG A 30 0.555 -10.601 -0.708 1.00 0.48 H new ATOM 0 HA ARG A 30 1.312 -8.208 0.583 1.00 0.45 H new ATOM 0 HB2 ARG A 30 -1.094 -9.652 -0.167 1.00 0.52 H new ATOM 0 HB3 ARG A 30 -1.271 -8.981 1.442 1.00 0.52 H new ATOM 0 HG2 ARG A 30 -2.122 -7.496 -0.389 1.00 0.49 H new ATOM 0 HG3 ARG A 30 -0.935 -6.735 0.652 1.00 0.49 H new ATOM 0 HD2 ARG A 30 -0.030 -6.097 -1.341 1.00 0.76 H new ATOM 0 HD3 ARG A 30 0.747 -7.664 -1.234 1.00 0.76 H new ATOM 0 HE ARG A 30 -0.429 -8.321 -3.116 1.00 1.55 H new ATOM 0 HH11 ARG A 30 -2.312 -5.855 -1.407 1.00 2.43 H new ATOM 0 HH12 ARG A 30 -3.507 -5.708 -2.700 1.00 2.43 H new ATOM 0 HH21 ARG A 30 -1.959 -8.084 -4.786 1.00 3.24 H new ATOM 0 HH22 ARG A 30 -3.308 -6.959 -4.595 1.00 3.24 H new ATOM 452 N ARG A 31 1.015 -10.839 2.490 1.00 0.45 N ATOM 453 CA ARG A 31 1.229 -11.336 3.842 1.00 0.47 C ATOM 454 C ARG A 31 2.681 -11.117 4.293 1.00 0.45 C ATOM 455 O ARG A 31 2.924 -10.718 5.432 1.00 0.50 O ATOM 456 CB ARG A 31 0.861 -12.821 3.928 1.00 0.53 C ATOM 457 CG ARG A 31 0.951 -13.405 5.330 1.00 1.14 C ATOM 458 CD ARG A 31 0.579 -14.879 5.330 1.00 1.21 C ATOM 459 NE ARG A 31 0.573 -15.459 6.676 1.00 1.89 N ATOM 460 CZ ARG A 31 0.408 -16.763 6.922 1.00 2.16 C ATOM 461 NH1 ARG A 31 0.265 -17.620 5.921 1.00 1.87 N ATOM 462 NH2 ARG A 31 0.379 -17.215 8.168 1.00 3.18 N ATOM 0 H ARG A 31 0.892 -11.565 1.784 1.00 0.45 H new ATOM 0 HA ARG A 31 0.581 -10.773 4.514 1.00 0.47 H new ATOM 0 HB2 ARG A 31 -0.155 -12.954 3.555 1.00 0.53 H new ATOM 0 HB3 ARG A 31 1.519 -13.386 3.268 1.00 0.53 H new ATOM 0 HG2 ARG A 31 1.963 -13.282 5.715 1.00 1.14 H new ATOM 0 HG3 ARG A 31 0.286 -12.858 5.999 1.00 1.14 H new ATOM 0 HD2 ARG A 31 -0.407 -15.001 4.881 1.00 1.21 H new ATOM 0 HD3 ARG A 31 1.284 -15.428 4.705 1.00 1.21 H new ATOM 0 HE ARG A 31 0.702 -14.832 7.470 1.00 1.89 H new ATOM 0 HH11 ARG A 31 0.281 -17.286 4.957 1.00 1.87 H new ATOM 0 HH12 ARG A 31 0.139 -18.614 6.114 1.00 1.87 H new ATOM 0 HH21 ARG A 31 0.483 -16.566 8.948 1.00 3.18 H new ATOM 0 HH22 ARG A 31 0.253 -18.211 8.346 1.00 3.18 H new ATOM 476 N PHE A 32 3.645 -11.366 3.403 1.00 0.45 N ATOM 477 CA PHE A 32 5.060 -11.217 3.761 1.00 0.53 C ATOM 478 C PHE A 32 5.512 -9.767 3.577 1.00 0.53 C ATOM 479 O PHE A 32 6.560 -9.354 4.072 1.00 0.57 O ATOM 480 CB PHE A 32 5.945 -12.190 2.945 1.00 0.66 C ATOM 481 CG PHE A 32 6.443 -11.680 1.610 1.00 0.57 C ATOM 482 CD1 PHE A 32 7.542 -10.842 1.543 1.00 0.66 C ATOM 483 CD2 PHE A 32 5.796 -12.021 0.429 1.00 0.88 C ATOM 484 CE1 PHE A 32 7.992 -10.357 0.328 1.00 0.93 C ATOM 485 CE2 PHE A 32 6.242 -11.542 -0.787 1.00 1.10 C ATOM 486 CZ PHE A 32 7.373 -10.777 -0.851 1.00 1.08 C ATOM 0 H PHE A 32 3.477 -11.667 2.443 1.00 0.45 H new ATOM 0 HA PHE A 32 5.175 -11.474 4.814 1.00 0.53 H new ATOM 0 HB2 PHE A 32 6.809 -12.459 3.553 1.00 0.66 H new ATOM 0 HB3 PHE A 32 5.379 -13.105 2.773 1.00 0.66 H new ATOM 0 HD1 PHE A 32 8.055 -10.563 2.451 1.00 0.66 H new ATOM 0 HD2 PHE A 32 4.933 -12.669 0.462 1.00 0.88 H new ATOM 0 HE1 PHE A 32 8.815 -9.659 0.292 1.00 0.93 H new ATOM 0 HE2 PHE A 32 5.696 -11.772 -1.690 1.00 1.10 H new ATOM 0 HZ PHE A 32 7.786 -10.499 -1.809 1.00 1.08 H new ATOM 496 N LEU A 33 4.689 -9.001 2.878 1.00 0.51 N ATOM 497 CA LEU A 33 4.979 -7.608 2.564 1.00 0.53 C ATOM 498 C LEU A 33 4.559 -6.705 3.724 1.00 0.45 C ATOM 499 O LEU A 33 4.876 -5.516 3.751 1.00 0.44 O ATOM 500 CB LEU A 33 4.258 -7.209 1.275 1.00 0.60 C ATOM 501 CG LEU A 33 4.762 -5.937 0.597 1.00 0.93 C ATOM 502 CD1 LEU A 33 6.211 -6.101 0.166 1.00 0.92 C ATOM 503 CD2 LEU A 33 3.886 -5.597 -0.598 1.00 1.70 C ATOM 0 H LEU A 33 3.796 -9.329 2.510 1.00 0.51 H new ATOM 0 HA LEU A 33 6.052 -7.489 2.414 1.00 0.53 H new ATOM 0 HB2 LEU A 33 4.339 -8.033 0.566 1.00 0.60 H new ATOM 0 HB3 LEU A 33 3.198 -7.084 1.498 1.00 0.60 H new ATOM 0 HG LEU A 33 4.709 -5.117 1.313 1.00 0.93 H new ATOM 0 HD11 LEU A 33 6.553 -5.185 -0.315 1.00 0.92 H new ATOM 0 HD12 LEU A 33 6.830 -6.305 1.040 1.00 0.92 H new ATOM 0 HD13 LEU A 33 6.290 -6.931 -0.536 1.00 0.92 H new ATOM 0 HD21 LEU A 33 4.255 -4.688 -1.073 1.00 1.70 H new ATOM 0 HD22 LEU A 33 3.913 -6.418 -1.315 1.00 1.70 H new ATOM 0 HD23 LEU A 33 2.860 -5.441 -0.264 1.00 1.70 H new ATOM 515 N GLU A 34 3.855 -7.298 4.684 1.00 0.39 N ATOM 516 CA GLU A 34 3.310 -6.561 5.824 1.00 0.35 C ATOM 517 C GLU A 34 4.429 -5.865 6.618 1.00 0.35 C ATOM 518 O GLU A 34 4.367 -4.653 6.836 1.00 0.30 O ATOM 519 CB GLU A 34 2.517 -7.500 6.744 1.00 0.39 C ATOM 520 CG GLU A 34 1.983 -6.821 7.999 1.00 0.43 C ATOM 521 CD GLU A 34 1.675 -7.807 9.108 1.00 0.78 C ATOM 522 OE1 GLU A 34 2.598 -8.179 9.863 1.00 1.26 O ATOM 523 OE2 GLU A 34 0.501 -8.213 9.234 1.00 1.17 O ATOM 0 H GLU A 34 3.646 -8.296 4.696 1.00 0.39 H new ATOM 0 HA GLU A 34 2.637 -5.796 5.436 1.00 0.35 H new ATOM 0 HB2 GLU A 34 1.681 -7.921 6.185 1.00 0.39 H new ATOM 0 HB3 GLU A 34 3.156 -8.333 7.036 1.00 0.39 H new ATOM 0 HG2 GLU A 34 2.715 -6.096 8.355 1.00 0.43 H new ATOM 0 HG3 GLU A 34 1.079 -6.265 7.750 1.00 0.43 H new ATOM 530 N PRO A 35 5.478 -6.610 7.057 1.00 0.43 N ATOM 531 CA PRO A 35 6.585 -6.032 7.831 1.00 0.48 C ATOM 532 C PRO A 35 7.365 -4.999 7.028 1.00 0.45 C ATOM 533 O PRO A 35 7.878 -4.022 7.575 1.00 0.47 O ATOM 534 CB PRO A 35 7.487 -7.234 8.153 1.00 0.63 C ATOM 535 CG PRO A 35 6.646 -8.439 7.912 1.00 0.79 C ATOM 536 CD PRO A 35 5.669 -8.057 6.846 1.00 0.50 C ATOM 0 HA PRO A 35 6.223 -5.510 8.717 1.00 0.48 H new ATOM 0 HB2 PRO A 35 8.373 -7.241 7.518 1.00 0.63 H new ATOM 0 HB3 PRO A 35 7.835 -7.198 9.185 1.00 0.63 H new ATOM 0 HG2 PRO A 35 7.258 -9.284 7.595 1.00 0.79 H new ATOM 0 HG3 PRO A 35 6.130 -8.743 8.823 1.00 0.79 H new ATOM 0 HD2 PRO A 35 6.058 -8.270 5.850 1.00 0.50 H new ATOM 0 HD3 PRO A 35 4.732 -8.604 6.946 1.00 0.50 H new ATOM 544 N PHE A 36 7.438 -5.222 5.722 1.00 0.44 N ATOM 545 CA PHE A 36 8.183 -4.350 4.829 1.00 0.49 C ATOM 546 C PHE A 36 7.485 -3.006 4.694 1.00 0.39 C ATOM 547 O PHE A 36 8.128 -1.961 4.582 1.00 0.43 O ATOM 548 CB PHE A 36 8.336 -5.021 3.457 1.00 0.62 C ATOM 549 CG PHE A 36 9.247 -4.291 2.506 1.00 0.66 C ATOM 550 CD1 PHE A 36 10.601 -4.169 2.774 1.00 0.79 C ATOM 551 CD2 PHE A 36 8.744 -3.714 1.353 1.00 1.36 C ATOM 552 CE1 PHE A 36 11.437 -3.490 1.908 1.00 1.21 C ATOM 553 CE2 PHE A 36 9.574 -3.032 0.483 1.00 2.02 C ATOM 554 CZ PHE A 36 10.934 -2.966 0.737 1.00 1.87 C ATOM 0 H PHE A 36 6.985 -6.008 5.256 1.00 0.44 H new ATOM 0 HA PHE A 36 9.174 -4.176 5.248 1.00 0.49 H new ATOM 0 HB2 PHE A 36 8.716 -6.032 3.601 1.00 0.62 H new ATOM 0 HB3 PHE A 36 7.351 -5.113 2.999 1.00 0.62 H new ATOM 0 HD1 PHE A 36 11.008 -4.610 3.672 1.00 0.79 H new ATOM 0 HD2 PHE A 36 7.691 -3.798 1.130 1.00 1.36 H new ATOM 0 HE1 PHE A 36 12.483 -3.370 2.149 1.00 1.21 H new ATOM 0 HE2 PHE A 36 9.163 -2.552 -0.393 1.00 2.02 H new ATOM 0 HZ PHE A 36 11.598 -2.506 0.020 1.00 1.87 H new ATOM 564 N LEU A 37 6.162 -3.041 4.729 1.00 0.30 N ATOM 565 CA LEU A 37 5.360 -1.847 4.542 1.00 0.29 C ATOM 566 C LEU A 37 5.075 -1.128 5.855 1.00 0.24 C ATOM 567 O LEU A 37 4.649 0.027 5.848 1.00 0.27 O ATOM 568 CB LEU A 37 4.057 -2.216 3.844 1.00 0.31 C ATOM 569 CG LEU A 37 4.097 -2.173 2.312 1.00 0.57 C ATOM 570 CD1 LEU A 37 5.429 -2.664 1.767 1.00 0.90 C ATOM 571 CD2 LEU A 37 2.972 -3.014 1.755 1.00 1.18 C ATOM 0 H LEU A 37 5.620 -3.891 4.886 1.00 0.30 H new ATOM 0 HA LEU A 37 5.930 -1.155 3.922 1.00 0.29 H new ATOM 0 HB2 LEU A 37 3.770 -3.220 4.155 1.00 0.31 H new ATOM 0 HB3 LEU A 37 3.275 -1.539 4.189 1.00 0.31 H new ATOM 0 HG LEU A 37 3.977 -1.135 2.001 1.00 0.57 H new ATOM 0 HD11 LEU A 37 5.416 -2.618 0.678 1.00 0.90 H new ATOM 0 HD12 LEU A 37 6.233 -2.033 2.148 1.00 0.90 H new ATOM 0 HD13 LEU A 37 5.595 -3.694 2.084 1.00 0.90 H new ATOM 0 HD21 LEU A 37 3.000 -2.984 0.666 1.00 1.18 H new ATOM 0 HD22 LEU A 37 3.086 -4.044 2.092 1.00 1.18 H new ATOM 0 HD23 LEU A 37 2.017 -2.622 2.104 1.00 1.18 H new ATOM 583 N ARG A 38 5.288 -1.798 6.981 1.00 0.24 N ATOM 584 CA ARG A 38 5.101 -1.146 8.267 1.00 0.31 C ATOM 585 C ARG A 38 6.156 -0.071 8.465 1.00 0.30 C ATOM 586 O ARG A 38 7.335 -0.367 8.673 1.00 0.41 O ATOM 587 CB ARG A 38 5.138 -2.139 9.434 1.00 0.44 C ATOM 588 CG ARG A 38 4.774 -1.480 10.757 1.00 0.82 C ATOM 589 CD ARG A 38 4.557 -2.486 11.874 1.00 1.06 C ATOM 590 NE ARG A 38 3.880 -1.867 13.016 1.00 2.16 N ATOM 591 CZ ARG A 38 4.024 -2.254 14.282 1.00 2.73 C ATOM 592 NH1 ARG A 38 4.808 -3.283 14.587 1.00 2.36 N ATOM 593 NH2 ARG A 38 3.378 -1.612 15.248 1.00 3.90 N ATOM 0 H ARG A 38 5.584 -2.773 7.029 1.00 0.24 H new ATOM 0 HA ARG A 38 4.110 -0.692 8.259 1.00 0.31 H new ATOM 0 HB2 ARG A 38 4.447 -2.958 9.235 1.00 0.44 H new ATOM 0 HB3 ARG A 38 6.135 -2.574 9.508 1.00 0.44 H new ATOM 0 HG2 ARG A 38 5.567 -0.790 11.045 1.00 0.82 H new ATOM 0 HG3 ARG A 38 3.868 -0.888 10.626 1.00 0.82 H new ATOM 0 HD2 ARG A 38 3.963 -3.322 11.505 1.00 1.06 H new ATOM 0 HD3 ARG A 38 5.517 -2.893 12.193 1.00 1.06 H new ATOM 0 HE ARG A 38 3.254 -1.084 12.828 1.00 2.16 H new ATOM 0 HH11 ARG A 38 5.304 -3.782 13.849 1.00 2.36 H new ATOM 0 HH12 ARG A 38 4.913 -3.573 15.559 1.00 2.36 H new ATOM 0 HH21 ARG A 38 2.772 -0.824 15.020 1.00 3.90 H new ATOM 0 HH22 ARG A 38 3.487 -1.907 16.218 1.00 3.90 H new ATOM 607 N GLY A 39 5.725 1.173 8.376 1.00 0.28 N ATOM 608 CA GLY A 39 6.632 2.279 8.540 1.00 0.31 C ATOM 609 C GLY A 39 6.973 2.935 7.223 1.00 0.28 C ATOM 610 O GLY A 39 8.099 3.384 7.022 1.00 0.35 O ATOM 0 H GLY A 39 4.757 1.436 8.192 1.00 0.28 H new ATOM 0 HA2 GLY A 39 6.186 3.017 9.207 1.00 0.31 H new ATOM 0 HA3 GLY A 39 7.547 1.929 9.018 1.00 0.31 H new ATOM 614 N ILE A 40 6.015 2.987 6.309 1.00 0.24 N ATOM 615 CA ILE A 40 6.240 3.698 5.050 1.00 0.22 C ATOM 616 C ILE A 40 5.188 4.779 4.867 1.00 0.21 C ATOM 617 O ILE A 40 4.284 4.905 5.682 1.00 0.21 O ATOM 618 CB ILE A 40 6.239 2.760 3.814 1.00 0.21 C ATOM 619 CG1 ILE A 40 4.861 2.129 3.603 1.00 0.18 C ATOM 620 CG2 ILE A 40 7.302 1.677 3.961 1.00 0.21 C ATOM 621 CD1 ILE A 40 4.725 1.371 2.296 1.00 0.19 C ATOM 0 H ILE A 40 5.095 2.558 6.406 1.00 0.24 H new ATOM 0 HA ILE A 40 7.233 4.142 5.116 1.00 0.22 H new ATOM 0 HB ILE A 40 6.475 3.362 2.936 1.00 0.21 H new ATOM 0 HG12 ILE A 40 4.653 1.449 4.429 1.00 0.18 H new ATOM 0 HG13 ILE A 40 4.104 2.913 3.637 1.00 0.18 H new ATOM 0 HG21 ILE A 40 7.285 1.030 3.084 1.00 0.21 H new ATOM 0 HG22 ILE A 40 8.284 2.141 4.051 1.00 0.21 H new ATOM 0 HG23 ILE A 40 7.097 1.085 4.853 1.00 0.21 H new ATOM 0 HD11 ILE A 40 3.721 0.953 2.220 1.00 0.19 H new ATOM 0 HD12 ILE A 40 4.899 2.050 1.462 1.00 0.19 H new ATOM 0 HD13 ILE A 40 5.457 0.564 2.266 1.00 0.19 H new ATOM 633 N ASN A 41 5.321 5.579 3.821 1.00 0.21 N ATOM 634 CA ASN A 41 4.285 6.544 3.472 1.00 0.20 C ATOM 635 C ASN A 41 3.877 6.332 2.029 1.00 0.16 C ATOM 636 O ASN A 41 4.733 6.172 1.155 1.00 0.18 O ATOM 637 CB ASN A 41 4.761 7.994 3.647 1.00 0.29 C ATOM 638 CG ASN A 41 5.031 8.383 5.085 1.00 0.99 C ATOM 639 OD1 ASN A 41 4.123 8.782 5.818 1.00 2.00 O ATOM 640 ND2 ASN A 41 6.289 8.309 5.491 1.00 1.23 N ATOM 0 H ASN A 41 6.131 5.581 3.201 1.00 0.21 H new ATOM 0 HA ASN A 41 3.442 6.384 4.145 1.00 0.20 H new ATOM 0 HB2 ASN A 41 5.671 8.140 3.065 1.00 0.29 H new ATOM 0 HB3 ASN A 41 4.008 8.665 3.235 1.00 0.29 H new ATOM 0 HD21 ASN A 41 6.536 8.588 6.441 1.00 1.23 H new ATOM 0 HD22 ASN A 41 7.012 7.973 4.854 1.00 1.23 H new ATOM 647 N VAL A 42 2.580 6.321 1.775 1.00 0.13 N ATOM 648 CA VAL A 42 2.081 6.178 0.419 1.00 0.14 C ATOM 649 C VAL A 42 1.063 7.258 0.094 1.00 0.15 C ATOM 650 O VAL A 42 0.294 7.696 0.954 1.00 0.18 O ATOM 651 CB VAL A 42 1.437 4.791 0.172 1.00 0.16 C ATOM 652 CG1 VAL A 42 2.466 3.680 0.318 1.00 0.17 C ATOM 653 CG2 VAL A 42 0.255 4.559 1.103 1.00 0.19 C ATOM 0 H VAL A 42 1.856 6.409 2.488 1.00 0.13 H new ATOM 0 HA VAL A 42 2.947 6.278 -0.235 1.00 0.14 H new ATOM 0 HB VAL A 42 1.064 4.776 -0.852 1.00 0.16 H new ATOM 0 HG11 VAL A 42 1.989 2.716 0.140 1.00 0.17 H new ATOM 0 HG12 VAL A 42 3.267 3.828 -0.407 1.00 0.17 H new ATOM 0 HG13 VAL A 42 2.881 3.699 1.326 1.00 0.17 H new ATOM 0 HG21 VAL A 42 -0.176 3.577 0.906 1.00 0.19 H new ATOM 0 HG22 VAL A 42 0.593 4.606 2.138 1.00 0.19 H new ATOM 0 HG23 VAL A 42 -0.499 5.327 0.932 1.00 0.19 H new ATOM 663 N VAL A 43 1.080 7.688 -1.150 1.00 0.18 N ATOM 664 CA VAL A 43 0.105 8.625 -1.658 1.00 0.22 C ATOM 665 C VAL A 43 -1.082 7.844 -2.200 1.00 0.20 C ATOM 666 O VAL A 43 -0.988 7.212 -3.257 1.00 0.20 O ATOM 667 CB VAL A 43 0.698 9.497 -2.786 1.00 0.28 C ATOM 668 CG1 VAL A 43 -0.266 10.604 -3.179 1.00 0.88 C ATOM 669 CG2 VAL A 43 2.044 10.078 -2.374 1.00 0.75 C ATOM 0 H VAL A 43 1.774 7.395 -1.838 1.00 0.18 H new ATOM 0 HA VAL A 43 -0.202 9.285 -0.846 1.00 0.22 H new ATOM 0 HB VAL A 43 0.856 8.859 -3.655 1.00 0.28 H new ATOM 0 HG11 VAL A 43 0.174 11.204 -3.975 1.00 0.88 H new ATOM 0 HG12 VAL A 43 -1.200 10.165 -3.530 1.00 0.88 H new ATOM 0 HG13 VAL A 43 -0.465 11.237 -2.314 1.00 0.88 H new ATOM 0 HG21 VAL A 43 2.441 10.688 -3.186 1.00 0.75 H new ATOM 0 HG22 VAL A 43 1.917 10.695 -1.485 1.00 0.75 H new ATOM 0 HG23 VAL A 43 2.739 9.267 -2.157 1.00 0.75 H new ATOM 679 N TYR A 44 -2.176 7.860 -1.463 1.00 0.21 N ATOM 680 CA TYR A 44 -3.366 7.127 -1.853 1.00 0.22 C ATOM 681 C TYR A 44 -4.252 7.999 -2.725 1.00 0.22 C ATOM 682 O TYR A 44 -4.758 9.029 -2.283 1.00 0.24 O ATOM 683 CB TYR A 44 -4.136 6.654 -0.611 1.00 0.27 C ATOM 684 CG TYR A 44 -5.516 6.104 -0.913 1.00 0.32 C ATOM 685 CD1 TYR A 44 -5.678 4.856 -1.501 1.00 0.39 C ATOM 686 CD2 TYR A 44 -6.655 6.838 -0.610 1.00 0.42 C ATOM 687 CE1 TYR A 44 -6.936 4.357 -1.778 1.00 0.47 C ATOM 688 CE2 TYR A 44 -7.916 6.346 -0.885 1.00 0.50 C ATOM 689 CZ TYR A 44 -8.051 5.106 -1.469 1.00 0.50 C ATOM 690 OH TYR A 44 -9.306 4.613 -1.746 1.00 0.59 O ATOM 0 H TYR A 44 -2.266 8.375 -0.587 1.00 0.21 H new ATOM 0 HA TYR A 44 -3.065 6.250 -2.425 1.00 0.22 H new ATOM 0 HB2 TYR A 44 -3.552 5.885 -0.105 1.00 0.27 H new ATOM 0 HB3 TYR A 44 -4.233 7.489 0.083 1.00 0.27 H new ATOM 0 HD1 TYR A 44 -4.807 4.267 -1.745 1.00 0.39 H new ATOM 0 HD2 TYR A 44 -6.553 7.810 -0.151 1.00 0.42 H new ATOM 0 HE1 TYR A 44 -7.045 3.384 -2.235 1.00 0.47 H new ATOM 0 HE2 TYR A 44 -8.791 6.931 -0.643 1.00 0.50 H new ATOM 0 HH TYR A 44 -9.983 5.264 -1.465 1.00 0.59 H new ATOM 700 N THR A 45 -4.414 7.589 -3.969 1.00 0.24 N ATOM 701 CA THR A 45 -5.261 8.299 -4.901 1.00 0.28 C ATOM 702 C THR A 45 -6.644 7.663 -4.940 1.00 0.28 C ATOM 703 O THR A 45 -6.809 6.564 -5.472 1.00 0.30 O ATOM 704 CB THR A 45 -4.646 8.294 -6.316 1.00 0.36 C ATOM 705 OG1 THR A 45 -4.275 6.958 -6.682 1.00 1.08 O ATOM 706 CG2 THR A 45 -3.425 9.195 -6.380 1.00 1.10 C ATOM 0 H THR A 45 -3.964 6.760 -4.357 1.00 0.24 H new ATOM 0 HA THR A 45 -5.347 9.332 -4.563 1.00 0.28 H new ATOM 0 HB THR A 45 -5.394 8.671 -7.014 1.00 0.36 H new ATOM 0 HG1 THR A 45 -5.003 6.343 -6.455 1.00 1.08 H new ATOM 0 HG21 THR A 45 -3.010 9.174 -7.388 1.00 1.10 H new ATOM 0 HG22 THR A 45 -3.712 10.216 -6.127 1.00 1.10 H new ATOM 0 HG23 THR A 45 -2.675 8.843 -5.671 1.00 1.10 H new ATOM 714 N PRO A 46 -7.644 8.325 -4.347 1.00 0.31 N ATOM 715 CA PRO A 46 -9.018 7.837 -4.355 1.00 0.35 C ATOM 716 C PRO A 46 -9.619 7.920 -5.748 1.00 0.38 C ATOM 717 O PRO A 46 -9.450 8.924 -6.444 1.00 0.38 O ATOM 718 CB PRO A 46 -9.758 8.785 -3.396 1.00 0.40 C ATOM 719 CG PRO A 46 -8.693 9.552 -2.689 1.00 0.47 C ATOM 720 CD PRO A 46 -7.525 9.596 -3.627 1.00 0.37 C ATOM 0 HA PRO A 46 -9.086 6.791 -4.056 1.00 0.35 H new ATOM 0 HB2 PRO A 46 -10.425 9.452 -3.942 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -10.373 8.227 -2.690 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -9.034 10.558 -2.443 1.00 0.47 H new ATOM 0 HG3 PRO A 46 -8.422 9.069 -1.750 1.00 0.47 H new ATOM 0 HD2 PRO A 46 -7.579 10.450 -4.302 1.00 0.37 H new ATOM 0 HD3 PRO A 46 -6.578 9.672 -3.092 1.00 0.37 H new ATOM 728 N PRO A 47 -10.303 6.850 -6.185 1.00 0.45 N ATOM 729 CA PRO A 47 -10.986 6.829 -7.478 1.00 0.56 C ATOM 730 C PRO A 47 -11.907 8.033 -7.634 1.00 0.59 C ATOM 731 O PRO A 47 -12.460 8.535 -6.659 1.00 0.56 O ATOM 732 CB PRO A 47 -11.790 5.531 -7.435 1.00 0.62 C ATOM 733 CG PRO A 47 -11.061 4.660 -6.472 1.00 0.55 C ATOM 734 CD PRO A 47 -10.455 5.583 -5.452 1.00 0.49 C ATOM 0 HA PRO A 47 -10.296 6.876 -8.320 1.00 0.56 H new ATOM 0 HB2 PRO A 47 -12.814 5.711 -7.108 1.00 0.62 H new ATOM 0 HB3 PRO A 47 -11.847 5.069 -8.421 1.00 0.62 H new ATOM 0 HG2 PRO A 47 -11.738 3.948 -6.000 1.00 0.55 H new ATOM 0 HG3 PRO A 47 -10.290 4.079 -6.978 1.00 0.55 H new ATOM 0 HD2 PRO A 47 -11.100 5.698 -4.581 1.00 0.49 H new ATOM 0 HD3 PRO A 47 -9.496 5.210 -5.092 1.00 0.49 H new ATOM 742 N GLN A 48 -12.073 8.479 -8.873 1.00 0.70 N ATOM 743 CA GLN A 48 -12.711 9.765 -9.163 1.00 0.79 C ATOM 744 C GLN A 48 -14.152 9.845 -8.665 1.00 0.77 C ATOM 745 O GLN A 48 -14.679 10.939 -8.469 1.00 0.83 O ATOM 746 CB GLN A 48 -12.658 10.049 -10.660 1.00 0.96 C ATOM 747 CG GLN A 48 -11.239 10.223 -11.183 1.00 1.50 C ATOM 748 CD GLN A 48 -11.193 10.542 -12.663 1.00 1.79 C ATOM 749 OE1 GLN A 48 -12.052 10.116 -13.434 1.00 2.22 O ATOM 750 NE2 GLN A 48 -10.178 11.283 -13.076 1.00 2.18 N ATOM 0 H GLN A 48 -11.773 7.967 -9.702 1.00 0.70 H new ATOM 0 HA GLN A 48 -12.149 10.524 -8.619 1.00 0.79 H new ATOM 0 HB2 GLN A 48 -13.139 9.231 -11.197 1.00 0.96 H new ATOM 0 HB3 GLN A 48 -13.231 10.951 -10.873 1.00 0.96 H new ATOM 0 HG2 GLN A 48 -10.748 11.023 -10.628 1.00 1.50 H new ATOM 0 HG3 GLN A 48 -10.673 9.311 -10.995 1.00 1.50 H new ATOM 0 HE21 GLN A 48 -9.485 11.618 -12.406 1.00 2.18 H new ATOM 0 HE22 GLN A 48 -10.088 11.519 -14.064 1.00 2.18 H new ATOM 759 N SER A 49 -14.783 8.697 -8.452 1.00 0.72 N ATOM 760 CA SER A 49 -16.144 8.669 -7.940 1.00 0.74 C ATOM 761 C SER A 49 -16.161 8.937 -6.434 1.00 0.71 C ATOM 762 O SER A 49 -17.226 9.124 -5.840 1.00 0.78 O ATOM 763 CB SER A 49 -16.810 7.324 -8.253 1.00 0.77 C ATOM 764 OG SER A 49 -18.187 7.341 -7.912 1.00 1.75 O ATOM 0 H SER A 49 -14.375 7.778 -8.625 1.00 0.72 H new ATOM 0 HA SER A 49 -16.710 9.458 -8.435 1.00 0.74 H new ATOM 0 HB2 SER A 49 -16.698 7.098 -9.313 1.00 0.77 H new ATOM 0 HB3 SER A 49 -16.306 6.529 -7.703 1.00 0.77 H new ATOM 0 HG SER A 49 -18.347 8.026 -7.229 1.00 1.75 H new ATOM 770 N PHE A 50 -14.986 8.941 -5.816 1.00 0.65 N ATOM 771 CA PHE A 50 -14.875 9.235 -4.393 1.00 0.64 C ATOM 772 C PHE A 50 -14.747 10.732 -4.148 1.00 0.71 C ATOM 773 O PHE A 50 -15.053 11.202 -3.055 1.00 0.77 O ATOM 774 CB PHE A 50 -13.676 8.518 -3.768 1.00 0.57 C ATOM 775 CG PHE A 50 -13.924 7.076 -3.428 1.00 0.53 C ATOM 776 CD1 PHE A 50 -13.859 6.103 -4.413 1.00 0.60 C ATOM 777 CD2 PHE A 50 -14.236 6.694 -2.135 1.00 0.59 C ATOM 778 CE1 PHE A 50 -14.097 4.776 -4.112 1.00 0.68 C ATOM 779 CE2 PHE A 50 -14.479 5.368 -1.828 1.00 0.66 C ATOM 780 CZ PHE A 50 -14.358 4.408 -2.783 1.00 0.68 C ATOM 0 H PHE A 50 -14.098 8.744 -6.277 1.00 0.65 H new ATOM 0 HA PHE A 50 -15.789 8.873 -3.923 1.00 0.64 H new ATOM 0 HB2 PHE A 50 -12.833 8.577 -4.457 1.00 0.57 H new ATOM 0 HB3 PHE A 50 -13.384 9.047 -2.861 1.00 0.57 H new ATOM 0 HD1 PHE A 50 -13.620 6.386 -5.427 1.00 0.60 H new ATOM 0 HD2 PHE A 50 -14.290 7.441 -1.356 1.00 0.59 H new ATOM 0 HE1 PHE A 50 -14.082 4.029 -4.892 1.00 0.68 H new ATOM 0 HE2 PHE A 50 -14.767 5.093 -0.824 1.00 0.66 H new ATOM 0 HZ PHE A 50 -14.462 3.366 -2.520 1.00 0.68 H new ATOM 790 N GLN A 51 -14.220 11.455 -5.155 1.00 0.72 N ATOM 791 CA GLN A 51 -14.086 12.926 -5.156 1.00 0.79 C ATOM 792 C GLN A 51 -13.225 13.434 -4.000 1.00 0.66 C ATOM 793 O GLN A 51 -13.140 14.633 -3.748 1.00 0.83 O ATOM 794 CB GLN A 51 -15.441 13.657 -5.232 1.00 1.07 C ATOM 795 CG GLN A 51 -16.323 13.498 -4.016 1.00 1.23 C ATOM 796 CD GLN A 51 -17.736 13.988 -4.253 1.00 1.98 C ATOM 797 OE1 GLN A 51 -18.240 13.952 -5.376 1.00 2.73 O ATOM 798 NE2 GLN A 51 -18.394 14.429 -3.195 1.00 2.45 N ATOM 0 H GLN A 51 -13.868 11.024 -6.010 1.00 0.72 H new ATOM 0 HA GLN A 51 -13.557 13.172 -6.077 1.00 0.79 H new ATOM 0 HB2 GLN A 51 -15.255 14.719 -5.391 1.00 1.07 H new ATOM 0 HB3 GLN A 51 -15.983 13.295 -6.105 1.00 1.07 H new ATOM 0 HG2 GLN A 51 -16.351 12.447 -3.727 1.00 1.23 H new ATOM 0 HG3 GLN A 51 -15.887 14.047 -3.181 1.00 1.23 H new ATOM 0 HE21 GLN A 51 -17.940 14.443 -2.281 1.00 2.45 H new ATOM 0 HE22 GLN A 51 -19.355 14.756 -3.292 1.00 2.45 H new ATOM 807 N SER A 52 -12.581 12.504 -3.317 1.00 0.53 N ATOM 808 CA SER A 52 -11.594 12.834 -2.304 1.00 0.50 C ATOM 809 C SER A 52 -10.228 13.045 -2.954 1.00 0.42 C ATOM 810 O SER A 52 -9.900 12.416 -3.964 1.00 0.44 O ATOM 811 CB SER A 52 -11.531 11.710 -1.262 1.00 0.55 C ATOM 812 OG SER A 52 -10.645 12.020 -0.196 1.00 1.21 O ATOM 0 H SER A 52 -12.727 11.503 -3.448 1.00 0.53 H new ATOM 0 HA SER A 52 -11.882 13.759 -1.804 1.00 0.50 H new ATOM 0 HB2 SER A 52 -12.529 11.530 -0.863 1.00 0.55 H new ATOM 0 HB3 SER A 52 -11.209 10.787 -1.744 1.00 0.55 H new ATOM 0 HG SER A 52 -10.635 11.280 0.447 1.00 1.21 H new ATOM 818 N ALA A 53 -9.452 13.954 -2.382 1.00 0.48 N ATOM 819 CA ALA A 53 -8.135 14.292 -2.895 1.00 0.52 C ATOM 820 C ALA A 53 -7.113 13.268 -2.428 1.00 0.41 C ATOM 821 O ALA A 53 -7.232 12.737 -1.331 1.00 0.44 O ATOM 822 CB ALA A 53 -7.741 15.688 -2.435 1.00 0.73 C ATOM 0 H ALA A 53 -9.719 14.478 -1.548 1.00 0.48 H new ATOM 0 HA ALA A 53 -8.163 14.279 -3.985 1.00 0.52 H new ATOM 0 HB1 ALA A 53 -6.753 15.934 -2.824 1.00 0.73 H new ATOM 0 HB2 ALA A 53 -8.467 16.412 -2.806 1.00 0.73 H new ATOM 0 HB3 ALA A 53 -7.721 15.720 -1.346 1.00 0.73 H new ATOM 828 N PRO A 54 -6.124 12.942 -3.280 1.00 0.39 N ATOM 829 CA PRO A 54 -5.048 12.005 -2.935 1.00 0.32 C ATOM 830 C PRO A 54 -4.385 12.345 -1.602 1.00 0.29 C ATOM 831 O PRO A 54 -3.725 13.377 -1.473 1.00 0.36 O ATOM 832 CB PRO A 54 -4.054 12.169 -4.082 1.00 0.39 C ATOM 833 CG PRO A 54 -4.884 12.610 -5.236 1.00 0.52 C ATOM 834 CD PRO A 54 -5.983 13.457 -4.655 1.00 0.52 C ATOM 0 HA PRO A 54 -5.418 10.987 -2.816 1.00 0.32 H new ATOM 0 HB2 PRO A 54 -3.287 12.905 -3.840 1.00 0.39 H new ATOM 0 HB3 PRO A 54 -3.540 11.233 -4.298 1.00 0.39 H new ATOM 0 HG2 PRO A 54 -4.289 13.179 -5.950 1.00 0.52 H new ATOM 0 HG3 PRO A 54 -5.293 11.754 -5.772 1.00 0.52 H new ATOM 0 HD2 PRO A 54 -5.721 14.515 -4.662 1.00 0.52 H new ATOM 0 HD3 PRO A 54 -6.910 13.354 -5.219 1.00 0.52 H new ATOM 842 N ARG A 55 -4.559 11.469 -0.622 1.00 0.26 N ATOM 843 CA ARG A 55 -4.051 11.709 0.723 1.00 0.31 C ATOM 844 C ARG A 55 -2.838 10.825 0.983 1.00 0.24 C ATOM 845 O ARG A 55 -2.808 9.667 0.571 1.00 0.20 O ATOM 846 CB ARG A 55 -5.133 11.406 1.769 1.00 0.42 C ATOM 847 CG ARG A 55 -6.484 12.034 1.468 1.00 1.13 C ATOM 848 CD ARG A 55 -6.424 13.551 1.507 1.00 1.35 C ATOM 849 NE ARG A 55 -6.647 14.080 2.851 1.00 2.05 N ATOM 850 CZ ARG A 55 -5.985 15.109 3.371 1.00 2.41 C ATOM 851 NH1 ARG A 55 -5.010 15.696 2.686 1.00 2.30 N ATOM 852 NH2 ARG A 55 -6.310 15.553 4.576 1.00 3.34 N ATOM 0 H ARG A 55 -5.050 10.582 -0.733 1.00 0.26 H new ATOM 0 HA ARG A 55 -3.765 12.758 0.802 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -5.256 10.326 1.846 1.00 0.42 H new ATOM 0 HB3 ARG A 55 -4.790 11.758 2.742 1.00 0.42 H new ATOM 0 HG2 ARG A 55 -6.824 11.709 0.485 1.00 1.13 H new ATOM 0 HG3 ARG A 55 -7.218 11.681 2.192 1.00 1.13 H new ATOM 0 HD2 ARG A 55 -5.451 13.883 1.145 1.00 1.35 H new ATOM 0 HD3 ARG A 55 -7.173 13.960 0.829 1.00 1.35 H new ATOM 0 HE ARG A 55 -7.357 13.630 3.428 1.00 2.05 H new ATOM 0 HH11 ARG A 55 -4.765 15.358 1.755 1.00 2.30 H new ATOM 0 HH12 ARG A 55 -4.506 16.485 3.091 1.00 2.30 H new ATOM 0 HH21 ARG A 55 -7.064 15.106 5.098 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -5.807 16.342 4.982 1.00 3.34 H new ATOM 866 N VAL A 56 -1.838 11.371 1.659 1.00 0.26 N ATOM 867 CA VAL A 56 -0.655 10.597 2.012 1.00 0.24 C ATOM 868 C VAL A 56 -0.830 9.973 3.393 1.00 0.22 C ATOM 869 O VAL A 56 -1.168 10.660 4.361 1.00 0.25 O ATOM 870 CB VAL A 56 0.636 11.451 1.976 1.00 0.29 C ATOM 871 CG1 VAL A 56 0.907 11.946 0.564 1.00 1.48 C ATOM 872 CG2 VAL A 56 0.555 12.625 2.943 1.00 1.32 C ATOM 0 H VAL A 56 -1.821 12.341 1.973 1.00 0.26 H new ATOM 0 HA VAL A 56 -0.547 9.811 1.265 1.00 0.24 H new ATOM 0 HB VAL A 56 1.463 10.815 2.292 1.00 0.29 H new ATOM 0 HG11 VAL A 56 1.818 12.545 0.557 1.00 1.48 H new ATOM 0 HG12 VAL A 56 1.028 11.093 -0.104 1.00 1.48 H new ATOM 0 HG13 VAL A 56 0.070 12.556 0.225 1.00 1.48 H new ATOM 0 HG21 VAL A 56 1.478 13.203 2.892 1.00 1.32 H new ATOM 0 HG22 VAL A 56 -0.287 13.262 2.673 1.00 1.32 H new ATOM 0 HG23 VAL A 56 0.417 12.252 3.958 1.00 1.32 H new ATOM 882 N TYR A 57 -0.649 8.668 3.478 1.00 0.22 N ATOM 883 CA TYR A 57 -0.842 7.963 4.735 1.00 0.25 C ATOM 884 C TYR A 57 0.430 7.260 5.183 1.00 0.25 C ATOM 885 O TYR A 57 1.234 6.813 4.361 1.00 0.27 O ATOM 886 CB TYR A 57 -1.978 6.943 4.607 1.00 0.27 C ATOM 887 CG TYR A 57 -3.340 7.565 4.413 1.00 0.31 C ATOM 888 CD1 TYR A 57 -3.976 8.231 5.452 1.00 0.44 C ATOM 889 CD2 TYR A 57 -3.987 7.486 3.188 1.00 0.40 C ATOM 890 CE1 TYR A 57 -5.220 8.804 5.274 1.00 0.49 C ATOM 891 CE2 TYR A 57 -5.231 8.053 3.001 1.00 0.47 C ATOM 892 CZ TYR A 57 -5.847 8.707 4.064 1.00 0.46 C ATOM 893 OH TYR A 57 -7.081 9.281 3.859 1.00 0.54 O ATOM 0 H TYR A 57 -0.370 8.075 2.696 1.00 0.22 H new ATOM 0 HA TYR A 57 -1.105 8.705 5.489 1.00 0.25 H new ATOM 0 HB2 TYR A 57 -1.768 6.283 3.765 1.00 0.27 H new ATOM 0 HB3 TYR A 57 -1.997 6.321 5.502 1.00 0.27 H new ATOM 0 HD1 TYR A 57 -3.491 8.302 6.414 1.00 0.44 H new ATOM 0 HD2 TYR A 57 -3.509 6.972 2.367 1.00 0.40 H new ATOM 0 HE1 TYR A 57 -5.696 9.328 6.090 1.00 0.49 H new ATOM 0 HE2 TYR A 57 -5.721 7.990 2.041 1.00 0.47 H new ATOM 0 HH TYR A 57 -7.372 9.111 2.939 1.00 0.54 H new ATOM 903 N ARG A 58 0.593 7.159 6.494 1.00 0.27 N ATOM 904 CA ARG A 58 1.707 6.433 7.077 1.00 0.31 C ATOM 905 C ARG A 58 1.279 4.986 7.286 1.00 0.27 C ATOM 906 O ARG A 58 0.450 4.686 8.148 1.00 0.31 O ATOM 907 CB ARG A 58 2.132 7.081 8.399 1.00 0.42 C ATOM 908 CG ARG A 58 3.300 6.401 9.096 1.00 0.55 C ATOM 909 CD ARG A 58 4.611 6.720 8.402 1.00 1.11 C ATOM 910 NE ARG A 58 5.762 6.140 9.099 1.00 1.70 N ATOM 911 CZ ARG A 58 6.973 5.986 8.556 1.00 2.56 C ATOM 912 NH1 ARG A 58 7.192 6.313 7.293 1.00 3.09 N ATOM 913 NH2 ARG A 58 7.963 5.488 9.281 1.00 3.26 N ATOM 0 H ARG A 58 -0.039 7.575 7.178 1.00 0.27 H new ATOM 0 HA ARG A 58 2.568 6.463 6.409 1.00 0.31 H new ATOM 0 HB2 ARG A 58 2.396 8.121 8.209 1.00 0.42 H new ATOM 0 HB3 ARG A 58 1.277 7.088 9.075 1.00 0.42 H new ATOM 0 HG2 ARG A 58 3.347 6.726 10.135 1.00 0.55 H new ATOM 0 HG3 ARG A 58 3.143 5.322 9.106 1.00 0.55 H new ATOM 0 HD2 ARG A 58 4.580 6.343 7.380 1.00 1.11 H new ATOM 0 HD3 ARG A 58 4.733 7.801 8.340 1.00 1.11 H new ATOM 0 HE ARG A 58 5.630 5.833 10.063 1.00 1.70 H new ATOM 0 HH11 ARG A 58 6.433 6.687 6.724 1.00 3.09 H new ATOM 0 HH12 ARG A 58 8.120 6.191 6.888 1.00 3.09 H new ATOM 0 HH21 ARG A 58 7.800 5.223 10.252 1.00 3.26 H new ATOM 0 HH22 ARG A 58 8.888 5.370 8.868 1.00 3.26 H new ATOM 927 N VAL A 59 1.829 4.106 6.470 1.00 0.25 N ATOM 928 CA VAL A 59 1.396 2.724 6.425 1.00 0.25 C ATOM 929 C VAL A 59 1.930 1.930 7.599 1.00 0.25 C ATOM 930 O VAL A 59 3.147 1.904 7.850 1.00 0.26 O ATOM 931 CB VAL A 59 1.841 2.029 5.129 1.00 0.31 C ATOM 932 CG1 VAL A 59 1.158 0.685 4.986 1.00 0.45 C ATOM 933 CG2 VAL A 59 1.553 2.896 3.924 1.00 0.36 C ATOM 0 H VAL A 59 2.585 4.329 5.823 1.00 0.25 H new ATOM 0 HA VAL A 59 0.307 2.750 6.468 1.00 0.25 H new ATOM 0 HB VAL A 59 2.918 1.869 5.184 1.00 0.31 H new ATOM 0 HG11 VAL A 59 1.485 0.207 4.063 1.00 0.45 H new ATOM 0 HG12 VAL A 59 1.419 0.052 5.834 1.00 0.45 H new ATOM 0 HG13 VAL A 59 0.078 0.827 4.958 1.00 0.45 H new ATOM 0 HG21 VAL A 59 1.877 2.381 3.020 1.00 0.36 H new ATOM 0 HG22 VAL A 59 0.483 3.093 3.865 1.00 0.36 H new ATOM 0 HG23 VAL A 59 2.091 3.839 4.017 1.00 0.36 H new ATOM 943 N ASN A 60 0.998 1.285 8.299 1.00 0.28 N ATOM 944 CA ASN A 60 1.310 0.377 9.393 1.00 0.32 C ATOM 945 C ASN A 60 1.567 -1.017 8.825 1.00 0.32 C ATOM 946 O ASN A 60 2.027 -1.919 9.521 1.00 0.37 O ATOM 947 CB ASN A 60 0.139 0.337 10.387 1.00 0.41 C ATOM 948 CG ASN A 60 0.425 -0.502 11.622 1.00 1.12 C ATOM 949 OD1 ASN A 60 1.555 -0.554 12.112 1.00 1.92 O ATOM 950 ND2 ASN A 60 -0.603 -1.174 12.130 1.00 1.68 N ATOM 0 H ASN A 60 -0.001 1.381 8.119 1.00 0.28 H new ATOM 0 HA ASN A 60 2.200 0.724 9.918 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -0.101 1.354 10.695 1.00 0.41 H new ATOM 0 HB3 ASN A 60 -0.742 -0.060 9.883 1.00 0.41 H new ATOM 0 HD21 ASN A 60 -0.472 -1.759 12.955 1.00 1.68 H new ATOM 0 HD22 ASN A 60 -1.523 -1.104 11.695 1.00 1.68 H new ATOM 957 N GLY A 61 1.240 -1.184 7.553 1.00 0.40 N ATOM 958 CA GLY A 61 1.555 -2.413 6.860 1.00 0.47 C ATOM 959 C GLY A 61 0.386 -2.940 6.056 1.00 0.43 C ATOM 960 O GLY A 61 -0.289 -2.180 5.364 1.00 0.43 O ATOM 0 H GLY A 61 0.759 -0.485 6.986 1.00 0.40 H new ATOM 0 HA2 GLY A 61 2.403 -2.245 6.196 1.00 0.47 H new ATOM 0 HA3 GLY A 61 1.863 -3.167 7.585 1.00 0.47 H new ATOM 964 N LEU A 62 0.136 -4.236 6.145 1.00 0.41 N ATOM 965 CA LEU A 62 -0.928 -4.867 5.381 1.00 0.38 C ATOM 966 C LEU A 62 -1.815 -5.686 6.308 1.00 0.38 C ATOM 967 O LEU A 62 -1.376 -6.109 7.377 1.00 0.42 O ATOM 968 CB LEU A 62 -0.333 -5.761 4.291 1.00 0.39 C ATOM 969 CG LEU A 62 0.426 -5.018 3.190 1.00 0.45 C ATOM 970 CD1 LEU A 62 1.055 -5.984 2.216 1.00 0.43 C ATOM 971 CD2 LEU A 62 -0.505 -4.089 2.452 1.00 0.55 C ATOM 0 H LEU A 62 0.659 -4.875 6.743 1.00 0.41 H new ATOM 0 HA LEU A 62 -1.532 -4.094 4.907 1.00 0.38 H new ATOM 0 HB2 LEU A 62 0.343 -6.477 4.758 1.00 0.39 H new ATOM 0 HB3 LEU A 62 -1.138 -6.335 3.833 1.00 0.39 H new ATOM 0 HG LEU A 62 1.219 -4.438 3.662 1.00 0.45 H new ATOM 0 HD11 LEU A 62 1.588 -5.428 1.445 1.00 0.43 H new ATOM 0 HD12 LEU A 62 1.755 -6.631 2.746 1.00 0.43 H new ATOM 0 HD13 LEU A 62 0.278 -6.592 1.753 1.00 0.43 H new ATOM 0 HD21 LEU A 62 0.047 -3.566 1.671 1.00 0.55 H new ATOM 0 HD22 LEU A 62 -1.313 -4.666 2.002 1.00 0.55 H new ATOM 0 HD23 LEU A 62 -0.923 -3.363 3.149 1.00 0.55 H new ATOM 983 N SER A 63 -3.061 -5.887 5.912 1.00 0.36 N ATOM 984 CA SER A 63 -3.997 -6.650 6.722 1.00 0.40 C ATOM 985 C SER A 63 -4.023 -8.110 6.286 1.00 0.46 C ATOM 986 O SER A 63 -4.101 -8.413 5.095 1.00 0.62 O ATOM 987 CB SER A 63 -5.395 -6.045 6.614 1.00 0.44 C ATOM 988 OG SER A 63 -5.825 -6.016 5.269 1.00 1.45 O ATOM 0 H SER A 63 -3.447 -5.534 5.037 1.00 0.36 H new ATOM 0 HA SER A 63 -3.669 -6.608 7.761 1.00 0.40 H new ATOM 0 HB2 SER A 63 -6.096 -6.627 7.212 1.00 0.44 H new ATOM 0 HB3 SER A 63 -5.391 -5.034 7.022 1.00 0.44 H new ATOM 0 HG SER A 63 -6.296 -6.849 5.058 1.00 1.45 H new ATOM 994 N ARG A 64 -3.950 -8.997 7.271 1.00 0.73 N ATOM 995 CA ARG A 64 -3.962 -10.446 7.053 1.00 0.94 C ATOM 996 C ARG A 64 -5.217 -10.947 6.320 1.00 0.65 C ATOM 997 O ARG A 64 -5.271 -12.110 5.914 1.00 0.72 O ATOM 998 CB ARG A 64 -3.841 -11.167 8.396 1.00 1.40 C ATOM 999 CG ARG A 64 -4.863 -10.703 9.423 1.00 2.25 C ATOM 1000 CD ARG A 64 -4.786 -11.522 10.699 1.00 2.62 C ATOM 1001 NE ARG A 64 -5.184 -12.910 10.480 1.00 3.28 N ATOM 1002 CZ ARG A 64 -4.703 -13.944 11.164 1.00 3.81 C ATOM 1003 NH1 ARG A 64 -3.769 -13.760 12.087 1.00 3.76 N ATOM 1004 NH2 ARG A 64 -5.155 -15.164 10.907 1.00 4.70 N ATOM 0 H ARG A 64 -3.880 -8.733 8.254 1.00 0.73 H new ATOM 0 HA ARG A 64 -3.110 -10.670 6.410 1.00 0.94 H new ATOM 0 HB2 ARG A 64 -3.957 -12.239 8.237 1.00 1.40 H new ATOM 0 HB3 ARG A 64 -2.839 -11.011 8.795 1.00 1.40 H new ATOM 0 HG2 ARG A 64 -4.695 -9.651 9.655 1.00 2.25 H new ATOM 0 HG3 ARG A 64 -5.865 -10.780 9.001 1.00 2.25 H new ATOM 0 HD2 ARG A 64 -3.768 -11.493 11.088 1.00 2.62 H new ATOM 0 HD3 ARG A 64 -5.430 -11.075 11.457 1.00 2.62 H new ATOM 0 HE ARG A 64 -5.876 -13.099 9.755 1.00 3.28 H new ATOM 0 HH11 ARG A 64 -3.416 -12.822 12.275 1.00 3.76 H new ATOM 0 HH12 ARG A 64 -3.404 -14.557 12.609 1.00 3.76 H new ATOM 0 HH21 ARG A 64 -5.866 -15.304 10.189 1.00 4.70 H new ATOM 0 HH22 ARG A 64 -4.791 -15.963 11.427 1.00 4.70 H new ATOM 1018 N ALA A 65 -6.224 -10.097 6.167 1.00 0.45 N ATOM 1019 CA ALA A 65 -7.456 -10.499 5.504 1.00 0.32 C ATOM 1020 C ALA A 65 -7.615 -9.809 4.148 1.00 0.30 C ATOM 1021 O ALA A 65 -7.528 -8.583 4.047 1.00 0.33 O ATOM 1022 CB ALA A 65 -8.651 -10.205 6.396 1.00 0.47 C ATOM 0 H ALA A 65 -6.212 -9.130 6.491 1.00 0.45 H new ATOM 0 HA ALA A 65 -7.405 -11.573 5.322 1.00 0.32 H new ATOM 0 HB1 ALA A 65 -9.567 -10.510 5.890 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -8.552 -10.757 7.331 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -8.692 -9.137 6.609 1.00 0.47 H new ATOM 1028 N PRO A 66 -7.821 -10.607 3.083 1.00 0.27 N ATOM 1029 CA PRO A 66 -8.090 -10.098 1.729 1.00 0.29 C ATOM 1030 C PRO A 66 -9.359 -9.255 1.666 1.00 0.27 C ATOM 1031 O PRO A 66 -10.321 -9.493 2.404 1.00 0.26 O ATOM 1032 CB PRO A 66 -8.265 -11.368 0.891 1.00 0.32 C ATOM 1033 CG PRO A 66 -7.594 -12.443 1.671 1.00 0.30 C ATOM 1034 CD PRO A 66 -7.780 -12.079 3.114 1.00 0.27 C ATOM 0 HA PRO A 66 -7.289 -9.445 1.381 1.00 0.29 H new ATOM 0 HB2 PRO A 66 -9.320 -11.595 0.734 1.00 0.32 H new ATOM 0 HB3 PRO A 66 -7.813 -11.255 -0.095 1.00 0.32 H new ATOM 0 HG2 PRO A 66 -8.034 -13.416 1.454 1.00 0.30 H new ATOM 0 HG3 PRO A 66 -6.536 -12.508 1.417 1.00 0.30 H new ATOM 0 HD2 PRO A 66 -8.700 -12.500 3.521 1.00 0.27 H new ATOM 0 HD3 PRO A 66 -6.961 -12.447 3.732 1.00 0.27 H new ATOM 1042 N ALA A 67 -9.358 -8.292 0.750 1.00 0.29 N ATOM 1043 CA ALA A 67 -10.428 -7.304 0.633 1.00 0.28 C ATOM 1044 C ALA A 67 -11.773 -7.940 0.304 1.00 0.26 C ATOM 1045 O ALA A 67 -12.825 -7.359 0.569 1.00 0.27 O ATOM 1046 CB ALA A 67 -10.065 -6.271 -0.424 1.00 0.35 C ATOM 0 H ALA A 67 -8.612 -8.173 0.064 1.00 0.29 H new ATOM 0 HA ALA A 67 -10.531 -6.819 1.604 1.00 0.28 H new ATOM 0 HB1 ALA A 67 -10.867 -5.537 -0.506 1.00 0.35 H new ATOM 0 HB2 ALA A 67 -9.141 -5.768 -0.139 1.00 0.35 H new ATOM 0 HB3 ALA A 67 -9.927 -6.767 -1.385 1.00 0.35 H new ATOM 1052 N SER A 68 -11.741 -9.126 -0.282 1.00 0.30 N ATOM 1053 CA SER A 68 -12.967 -9.818 -0.645 1.00 0.35 C ATOM 1054 C SER A 68 -13.524 -10.621 0.530 1.00 0.31 C ATOM 1055 O SER A 68 -14.640 -11.135 0.459 1.00 0.40 O ATOM 1056 CB SER A 68 -12.721 -10.729 -1.847 1.00 0.48 C ATOM 1057 OG SER A 68 -13.926 -11.325 -2.297 1.00 1.42 O ATOM 0 H SER A 68 -10.884 -9.628 -0.516 1.00 0.30 H new ATOM 0 HA SER A 68 -13.710 -9.068 -0.915 1.00 0.35 H new ATOM 0 HB2 SER A 68 -12.273 -10.153 -2.657 1.00 0.48 H new ATOM 0 HB3 SER A 68 -12.007 -11.507 -1.576 1.00 0.48 H new ATOM 0 HG SER A 68 -14.500 -11.523 -1.528 1.00 1.42 H new ATOM 1063 N SER A 69 -12.760 -10.721 1.608 1.00 0.28 N ATOM 1064 CA SER A 69 -13.189 -11.500 2.761 1.00 0.37 C ATOM 1065 C SER A 69 -13.249 -10.651 4.028 1.00 0.33 C ATOM 1066 O SER A 69 -13.907 -11.024 5.000 1.00 0.42 O ATOM 1067 CB SER A 69 -12.251 -12.689 2.966 1.00 0.50 C ATOM 1068 OG SER A 69 -10.894 -12.276 2.970 1.00 1.46 O ATOM 0 H SER A 69 -11.847 -10.277 1.709 1.00 0.28 H new ATOM 0 HA SER A 69 -14.197 -11.863 2.561 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.486 -13.183 3.909 1.00 0.50 H new ATOM 0 HB3 SER A 69 -12.409 -13.421 2.174 1.00 0.50 H new ATOM 0 HG SER A 69 -10.850 -11.298 2.923 1.00 1.46 H new ATOM 1074 N GLU A 70 -12.569 -9.512 4.018 1.00 0.28 N ATOM 1075 CA GLU A 70 -12.525 -8.651 5.189 1.00 0.35 C ATOM 1076 C GLU A 70 -13.713 -7.701 5.200 1.00 0.37 C ATOM 1077 O GLU A 70 -14.053 -7.095 4.179 1.00 0.37 O ATOM 1078 CB GLU A 70 -11.216 -7.858 5.242 1.00 0.42 C ATOM 1079 CG GLU A 70 -11.075 -7.005 6.499 1.00 0.78 C ATOM 1080 CD GLU A 70 -11.165 -7.823 7.777 1.00 0.58 C ATOM 1081 OE1 GLU A 70 -12.289 -8.192 8.176 1.00 1.26 O ATOM 1082 OE2 GLU A 70 -10.111 -8.093 8.395 1.00 1.03 O ATOM 0 H GLU A 70 -12.043 -9.165 3.216 1.00 0.28 H new ATOM 0 HA GLU A 70 -12.575 -9.288 6.072 1.00 0.35 H new ATOM 0 HB2 GLU A 70 -10.377 -8.552 5.187 1.00 0.42 H new ATOM 0 HB3 GLU A 70 -11.155 -7.213 4.365 1.00 0.42 H new ATOM 0 HG2 GLU A 70 -10.118 -6.483 6.473 1.00 0.78 H new ATOM 0 HG3 GLU A 70 -11.854 -6.243 6.505 1.00 0.78 H new ATOM 1089 N THR A 71 -14.336 -7.585 6.357 1.00 0.44 N ATOM 1090 CA THR A 71 -15.482 -6.722 6.525 1.00 0.48 C ATOM 1091 C THR A 71 -15.138 -5.527 7.407 1.00 0.58 C ATOM 1092 O THR A 71 -14.245 -5.596 8.253 1.00 0.85 O ATOM 1093 CB THR A 71 -16.673 -7.487 7.136 1.00 0.61 C ATOM 1094 OG1 THR A 71 -16.227 -8.304 8.229 1.00 0.76 O ATOM 1095 CG2 THR A 71 -17.361 -8.356 6.093 1.00 0.62 C ATOM 0 H THR A 71 -14.061 -8.086 7.202 1.00 0.44 H new ATOM 0 HA THR A 71 -15.766 -6.365 5.535 1.00 0.48 H new ATOM 0 HB THR A 71 -17.392 -6.753 7.501 1.00 0.61 H new ATOM 0 HG1 THR A 71 -16.991 -8.784 8.611 1.00 0.76 H new ATOM 0 HG21 THR A 71 -18.197 -8.883 6.553 1.00 0.62 H new ATOM 0 HG22 THR A 71 -17.730 -7.728 5.282 1.00 0.62 H new ATOM 0 HG23 THR A 71 -16.649 -9.080 5.696 1.00 0.62 H new ATOM 1103 N PHE A 72 -15.858 -4.441 7.209 1.00 0.51 N ATOM 1104 CA PHE A 72 -15.678 -3.236 7.999 1.00 0.59 C ATOM 1105 C PHE A 72 -17.006 -2.507 8.055 1.00 0.68 C ATOM 1106 O PHE A 72 -17.868 -2.726 7.199 1.00 0.64 O ATOM 1107 CB PHE A 72 -14.573 -2.339 7.422 1.00 0.58 C ATOM 1108 CG PHE A 72 -14.924 -1.656 6.131 1.00 0.54 C ATOM 1109 CD1 PHE A 72 -14.802 -2.319 4.922 1.00 0.43 C ATOM 1110 CD2 PHE A 72 -15.357 -0.340 6.131 1.00 0.68 C ATOM 1111 CE1 PHE A 72 -15.107 -1.683 3.737 1.00 0.43 C ATOM 1112 CE2 PHE A 72 -15.666 0.300 4.948 1.00 0.67 C ATOM 1113 CZ PHE A 72 -15.539 -0.371 3.751 1.00 0.52 C ATOM 0 H PHE A 72 -16.584 -4.367 6.497 1.00 0.51 H new ATOM 0 HA PHE A 72 -15.358 -3.504 9.006 1.00 0.59 H new ATOM 0 HB2 PHE A 72 -14.319 -1.579 8.161 1.00 0.58 H new ATOM 0 HB3 PHE A 72 -13.679 -2.943 7.266 1.00 0.58 H new ATOM 0 HD1 PHE A 72 -14.465 -3.345 4.907 1.00 0.43 H new ATOM 0 HD2 PHE A 72 -15.454 0.191 7.067 1.00 0.68 H new ATOM 0 HE1 PHE A 72 -15.008 -2.210 2.799 1.00 0.43 H new ATOM 0 HE2 PHE A 72 -16.007 1.325 4.960 1.00 0.67 H new ATOM 0 HZ PHE A 72 -15.777 0.129 2.824 1.00 0.52 H new ATOM 1123 N GLU A 73 -17.184 -1.667 9.056 1.00 0.83 N ATOM 1124 CA GLU A 73 -18.458 -1.011 9.262 1.00 0.94 C ATOM 1125 C GLU A 73 -18.472 0.367 8.613 1.00 0.99 C ATOM 1126 O GLU A 73 -17.674 1.244 8.953 1.00 1.09 O ATOM 1127 CB GLU A 73 -18.767 -0.911 10.755 1.00 1.14 C ATOM 1128 CG GLU A 73 -20.251 -0.781 11.060 1.00 1.27 C ATOM 1129 CD GLU A 73 -20.569 -1.090 12.506 1.00 1.68 C ATOM 1130 OE1 GLU A 73 -20.005 -2.067 13.041 1.00 1.96 O ATOM 1131 OE2 GLU A 73 -21.389 -0.369 13.112 1.00 2.03 O ATOM 0 H GLU A 73 -16.464 -1.424 9.737 1.00 0.83 H new ATOM 0 HA GLU A 73 -19.234 -1.611 8.787 1.00 0.94 H new ATOM 0 HB2 GLU A 73 -18.377 -1.795 11.259 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -18.242 -0.050 11.170 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -20.580 0.231 10.826 1.00 1.27 H new ATOM 0 HG3 GLU A 73 -20.813 -1.456 10.414 1.00 1.27 H new ATOM 1138 N HIS A 74 -19.388 0.532 7.678 1.00 0.97 N ATOM 1139 CA HIS A 74 -19.561 1.774 6.950 1.00 1.06 C ATOM 1140 C HIS A 74 -21.039 2.140 6.964 1.00 1.17 C ATOM 1141 O HIS A 74 -21.862 1.424 6.390 1.00 1.05 O ATOM 1142 CB HIS A 74 -19.051 1.606 5.512 1.00 1.04 C ATOM 1143 CG HIS A 74 -19.039 2.866 4.698 1.00 1.19 C ATOM 1144 ND1 HIS A 74 -17.930 3.676 4.645 1.00 1.99 N ATOM 1145 CD2 HIS A 74 -20.002 3.387 3.900 1.00 1.14 C ATOM 1146 CE1 HIS A 74 -18.240 4.661 3.822 1.00 1.92 C ATOM 1147 NE2 HIS A 74 -19.485 4.527 3.342 1.00 1.28 N ATOM 0 H HIS A 74 -20.040 -0.201 7.400 1.00 0.97 H new ATOM 0 HA HIS A 74 -18.989 2.574 7.419 1.00 1.06 H new ATOM 0 HB2 HIS A 74 -18.039 1.202 5.545 1.00 1.04 H new ATOM 0 HB3 HIS A 74 -19.673 0.868 5.005 1.00 1.04 H new ATOM 0 HD2 HIS A 74 -20.989 2.981 3.735 1.00 1.14 H new ATOM 0 HE1 HIS A 74 -17.574 5.473 3.567 1.00 1.92 H new ATOM 0 HE2 HIS A 74 -19.956 5.152 2.688 1.00 1.28 H new ATOM 1155 N ASP A 75 -21.370 3.228 7.656 1.00 1.43 N ATOM 1156 CA ASP A 75 -22.762 3.656 7.834 1.00 1.59 C ATOM 1157 C ASP A 75 -23.564 2.613 8.605 1.00 1.49 C ATOM 1158 O ASP A 75 -24.755 2.418 8.359 1.00 1.50 O ATOM 1159 CB ASP A 75 -23.445 3.950 6.492 1.00 1.65 C ATOM 1160 CG ASP A 75 -23.221 5.369 6.023 1.00 2.03 C ATOM 1161 OD1 ASP A 75 -23.987 6.263 6.439 1.00 2.67 O ATOM 1162 OD2 ASP A 75 -22.294 5.602 5.220 1.00 2.27 O ATOM 0 H ASP A 75 -20.688 3.837 8.108 1.00 1.43 H new ATOM 0 HA ASP A 75 -22.736 4.580 8.412 1.00 1.59 H new ATOM 0 HB2 ASP A 75 -23.069 3.259 5.738 1.00 1.65 H new ATOM 0 HB3 ASP A 75 -24.515 3.767 6.586 1.00 1.65 H new ATOM 1167 N GLY A 76 -22.900 1.941 9.537 1.00 1.43 N ATOM 1168 CA GLY A 76 -23.568 0.946 10.355 1.00 1.41 C ATOM 1169 C GLY A 76 -23.792 -0.363 9.621 1.00 1.19 C ATOM 1170 O GLY A 76 -24.530 -1.230 10.095 1.00 1.18 O ATOM 0 H GLY A 76 -21.909 2.067 9.742 1.00 1.43 H new ATOM 0 HA2 GLY A 76 -22.974 0.759 11.249 1.00 1.41 H new ATOM 0 HA3 GLY A 76 -24.528 1.340 10.687 1.00 1.41 H new ATOM 1174 N LYS A 77 -23.165 -0.505 8.463 1.00 1.06 N ATOM 1175 CA LYS A 77 -23.255 -1.732 7.678 1.00 0.89 C ATOM 1176 C LYS A 77 -21.876 -2.352 7.544 1.00 0.77 C ATOM 1177 O LYS A 77 -20.898 -1.642 7.339 1.00 0.74 O ATOM 1178 CB LYS A 77 -23.797 -1.444 6.276 1.00 0.87 C ATOM 1179 CG LYS A 77 -25.182 -0.820 6.242 1.00 1.06 C ATOM 1180 CD LYS A 77 -26.250 -1.804 6.687 1.00 1.13 C ATOM 1181 CE LYS A 77 -27.640 -1.286 6.366 1.00 1.40 C ATOM 1182 NZ LYS A 77 -28.701 -2.237 6.787 1.00 2.19 N ATOM 0 H LYS A 77 -22.583 0.219 8.042 1.00 1.06 H new ATOM 0 HA LYS A 77 -23.933 -2.414 8.191 1.00 0.89 H new ATOM 0 HB2 LYS A 77 -23.102 -0.779 5.763 1.00 0.87 H new ATOM 0 HB3 LYS A 77 -23.821 -2.377 5.713 1.00 0.87 H new ATOM 0 HG2 LYS A 77 -25.202 0.057 6.889 1.00 1.06 H new ATOM 0 HG3 LYS A 77 -25.402 -0.476 5.231 1.00 1.06 H new ATOM 0 HD2 LYS A 77 -26.093 -2.763 6.193 1.00 1.13 H new ATOM 0 HD3 LYS A 77 -26.163 -1.979 7.759 1.00 1.13 H new ATOM 0 HE2 LYS A 77 -27.794 -0.328 6.864 1.00 1.40 H new ATOM 0 HE3 LYS A 77 -27.720 -1.105 5.294 1.00 1.40 H new ATOM 0 HZ1 LYS A 77 -29.634 -1.844 6.549 1.00 2.19 H new ATOM 0 HZ2 LYS A 77 -28.571 -3.143 6.293 1.00 2.19 H new ATOM 0 HZ3 LYS A 77 -28.642 -2.391 7.814 1.00 2.19 H new ATOM 1196 N LYS A 78 -21.786 -3.662 7.658 1.00 0.76 N ATOM 1197 CA LYS A 78 -20.528 -4.334 7.412 1.00 0.71 C ATOM 1198 C LYS A 78 -20.477 -4.805 5.972 1.00 0.61 C ATOM 1199 O LYS A 78 -21.337 -5.566 5.524 1.00 0.70 O ATOM 1200 CB LYS A 78 -20.327 -5.510 8.363 1.00 0.88 C ATOM 1201 CG LYS A 78 -20.240 -5.099 9.824 1.00 1.05 C ATOM 1202 CD LYS A 78 -20.036 -6.306 10.728 1.00 1.31 C ATOM 1203 CE LYS A 78 -18.639 -6.899 10.579 1.00 1.47 C ATOM 1204 NZ LYS A 78 -17.630 -6.181 11.407 1.00 1.55 N ATOM 0 H LYS A 78 -22.559 -4.275 7.916 1.00 0.76 H new ATOM 0 HA LYS A 78 -19.720 -3.625 7.592 1.00 0.71 H new ATOM 0 HB2 LYS A 78 -21.152 -6.212 8.240 1.00 0.88 H new ATOM 0 HB3 LYS A 78 -19.414 -6.038 8.087 1.00 0.88 H new ATOM 0 HG2 LYS A 78 -19.416 -4.398 9.958 1.00 1.05 H new ATOM 0 HG3 LYS A 78 -21.152 -4.577 10.112 1.00 1.05 H new ATOM 0 HD2 LYS A 78 -20.197 -6.014 11.766 1.00 1.31 H new ATOM 0 HD3 LYS A 78 -20.780 -7.066 10.492 1.00 1.31 H new ATOM 0 HE2 LYS A 78 -18.660 -7.950 10.866 1.00 1.47 H new ATOM 0 HE3 LYS A 78 -18.340 -6.861 9.531 1.00 1.47 H new ATOM 0 HZ1 LYS A 78 -16.696 -6.619 11.273 1.00 1.55 H new ATOM 0 HZ2 LYS A 78 -17.589 -5.183 11.117 1.00 1.55 H new ATOM 0 HZ3 LYS A 78 -17.899 -6.239 12.410 1.00 1.55 H new ATOM 1218 N VAL A 79 -19.483 -4.336 5.248 1.00 0.51 N ATOM 1219 CA VAL A 79 -19.323 -4.675 3.847 1.00 0.42 C ATOM 1220 C VAL A 79 -17.921 -5.211 3.623 1.00 0.37 C ATOM 1221 O VAL A 79 -17.069 -5.107 4.505 1.00 0.38 O ATOM 1222 CB VAL A 79 -19.545 -3.443 2.933 1.00 0.35 C ATOM 1223 CG1 VAL A 79 -20.960 -2.905 3.070 1.00 0.41 C ATOM 1224 CG2 VAL A 79 -18.533 -2.348 3.243 1.00 0.34 C ATOM 0 H VAL A 79 -18.764 -3.710 5.611 1.00 0.51 H new ATOM 0 HA VAL A 79 -20.070 -5.427 3.592 1.00 0.42 H new ATOM 0 HB VAL A 79 -19.401 -3.767 1.902 1.00 0.35 H new ATOM 0 HG11 VAL A 79 -21.086 -2.041 2.417 1.00 0.41 H new ATOM 0 HG12 VAL A 79 -21.673 -3.680 2.788 1.00 0.41 H new ATOM 0 HG13 VAL A 79 -21.138 -2.607 4.103 1.00 0.41 H new ATOM 0 HG21 VAL A 79 -18.709 -1.494 2.589 1.00 0.34 H new ATOM 0 HG22 VAL A 79 -18.640 -2.037 4.282 1.00 0.34 H new ATOM 0 HG23 VAL A 79 -17.524 -2.728 3.080 1.00 0.34 H new ATOM 1234 N THR A 80 -17.678 -5.776 2.455 1.00 0.34 N ATOM 1235 CA THR A 80 -16.347 -6.217 2.095 1.00 0.30 C ATOM 1236 C THR A 80 -15.716 -5.158 1.206 1.00 0.23 C ATOM 1237 O THR A 80 -16.398 -4.551 0.385 1.00 0.21 O ATOM 1238 CB THR A 80 -16.394 -7.565 1.348 1.00 0.34 C ATOM 1239 OG1 THR A 80 -17.432 -7.538 0.352 1.00 0.67 O ATOM 1240 CG2 THR A 80 -16.641 -8.716 2.313 1.00 0.65 C ATOM 0 H THR A 80 -18.387 -5.940 1.740 1.00 0.34 H new ATOM 0 HA THR A 80 -15.757 -6.357 3.001 1.00 0.30 H new ATOM 0 HB THR A 80 -15.429 -7.720 0.866 1.00 0.34 H new ATOM 0 HG1 THR A 80 -17.476 -8.407 -0.098 1.00 0.67 H new ATOM 0 HG21 THR A 80 -16.670 -9.655 1.760 1.00 0.65 H new ATOM 0 HG22 THR A 80 -15.838 -8.753 3.049 1.00 0.65 H new ATOM 0 HG23 THR A 80 -17.593 -8.566 2.822 1.00 0.65 H new ATOM 1248 N ILE A 81 -14.417 -4.943 1.373 1.00 0.24 N ATOM 1249 CA ILE A 81 -13.717 -3.859 0.691 1.00 0.23 C ATOM 1250 C ILE A 81 -13.749 -4.038 -0.827 1.00 0.20 C ATOM 1251 O ILE A 81 -13.736 -3.059 -1.576 1.00 0.22 O ATOM 1252 CB ILE A 81 -12.261 -3.756 1.183 1.00 0.28 C ATOM 1253 CG1 ILE A 81 -12.238 -3.607 2.703 1.00 0.37 C ATOM 1254 CG2 ILE A 81 -11.552 -2.582 0.532 1.00 0.32 C ATOM 1255 CD1 ILE A 81 -10.883 -3.853 3.317 1.00 0.71 C ATOM 0 H ILE A 81 -13.823 -5.509 1.979 1.00 0.24 H new ATOM 0 HA ILE A 81 -14.237 -2.932 0.932 1.00 0.23 H new ATOM 0 HB ILE A 81 -11.735 -4.669 0.903 1.00 0.28 H new ATOM 0 HG12 ILE A 81 -12.569 -2.602 2.965 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -12.956 -4.303 3.138 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -10.526 -2.530 0.895 1.00 0.32 H new ATOM 0 HG22 ILE A 81 -11.548 -2.714 -0.550 1.00 0.32 H new ATOM 0 HG23 ILE A 81 -12.073 -1.658 0.783 1.00 0.32 H new ATOM 0 HD11 ILE A 81 -10.946 -3.729 4.398 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.558 -4.867 3.086 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -10.165 -3.141 2.911 1.00 0.71 H new ATOM 1267 N ALA A 82 -13.815 -5.287 -1.275 1.00 0.17 N ATOM 1268 CA ALA A 82 -13.926 -5.579 -2.699 1.00 0.17 C ATOM 1269 C ALA A 82 -15.217 -4.999 -3.275 1.00 0.18 C ATOM 1270 O ALA A 82 -15.199 -4.292 -4.281 1.00 0.21 O ATOM 1271 CB ALA A 82 -13.868 -7.079 -2.939 1.00 0.17 C ATOM 0 H ALA A 82 -13.794 -6.111 -0.674 1.00 0.17 H new ATOM 0 HA ALA A 82 -13.084 -5.110 -3.208 1.00 0.17 H new ATOM 0 HB1 ALA A 82 -13.952 -7.280 -4.007 1.00 0.17 H new ATOM 0 HB2 ALA A 82 -12.920 -7.470 -2.570 1.00 0.17 H new ATOM 0 HB3 ALA A 82 -14.690 -7.564 -2.413 1.00 0.17 H new ATOM 1277 N SER A 83 -16.331 -5.283 -2.612 1.00 0.18 N ATOM 1278 CA SER A 83 -17.633 -4.781 -3.043 1.00 0.20 C ATOM 1279 C SER A 83 -17.746 -3.289 -2.735 1.00 0.21 C ATOM 1280 O SER A 83 -18.432 -2.535 -3.428 1.00 0.25 O ATOM 1281 CB SER A 83 -18.741 -5.545 -2.321 1.00 0.23 C ATOM 1282 OG SER A 83 -18.471 -6.939 -2.314 1.00 1.11 O ATOM 0 H SER A 83 -16.360 -5.860 -1.771 1.00 0.18 H new ATOM 0 HA SER A 83 -17.735 -4.928 -4.118 1.00 0.20 H new ATOM 0 HB2 SER A 83 -18.831 -5.182 -1.297 1.00 0.23 H new ATOM 0 HB3 SER A 83 -19.697 -5.358 -2.811 1.00 0.23 H new ATOM 0 HG SER A 83 -18.116 -7.199 -1.438 1.00 1.11 H new ATOM 1288 N TYR A 84 -17.051 -2.885 -1.685 1.00 0.21 N ATOM 1289 CA TYR A 84 -17.044 -1.512 -1.220 1.00 0.24 C ATOM 1290 C TYR A 84 -16.529 -0.558 -2.295 1.00 0.25 C ATOM 1291 O TYR A 84 -17.161 0.458 -2.577 1.00 0.30 O ATOM 1292 CB TYR A 84 -16.206 -1.431 0.058 1.00 0.25 C ATOM 1293 CG TYR A 84 -15.657 -0.066 0.383 1.00 0.28 C ATOM 1294 CD1 TYR A 84 -16.493 0.997 0.702 1.00 0.31 C ATOM 1295 CD2 TYR A 84 -14.289 0.145 0.389 1.00 0.31 C ATOM 1296 CE1 TYR A 84 -15.971 2.235 1.016 1.00 0.38 C ATOM 1297 CE2 TYR A 84 -13.759 1.373 0.699 1.00 0.37 C ATOM 1298 CZ TYR A 84 -14.603 2.420 1.012 1.00 0.39 C ATOM 1299 OH TYR A 84 -14.076 3.652 1.321 1.00 0.49 O ATOM 0 H TYR A 84 -16.470 -3.510 -1.126 1.00 0.21 H new ATOM 0 HA TYR A 84 -18.065 -1.200 -1.000 1.00 0.24 H new ATOM 0 HB2 TYR A 84 -16.817 -1.767 0.895 1.00 0.25 H new ATOM 0 HB3 TYR A 84 -15.373 -2.128 -0.029 1.00 0.25 H new ATOM 0 HD1 TYR A 84 -17.563 0.853 0.704 1.00 0.31 H new ATOM 0 HD2 TYR A 84 -13.626 -0.672 0.145 1.00 0.31 H new ATOM 0 HE1 TYR A 84 -16.629 3.055 1.264 1.00 0.38 H new ATOM 0 HE2 TYR A 84 -12.689 1.519 0.698 1.00 0.37 H new ATOM 0 HH TYR A 84 -13.098 3.611 1.273 1.00 0.49 H new ATOM 1309 N PHE A 85 -15.403 -0.889 -2.911 1.00 0.22 N ATOM 1310 CA PHE A 85 -14.891 -0.077 -4.007 1.00 0.23 C ATOM 1311 C PHE A 85 -15.721 -0.301 -5.268 1.00 0.25 C ATOM 1312 O PHE A 85 -15.923 0.621 -6.058 1.00 0.28 O ATOM 1313 CB PHE A 85 -13.411 -0.379 -4.279 1.00 0.22 C ATOM 1314 CG PHE A 85 -12.473 0.185 -3.243 1.00 0.25 C ATOM 1315 CD1 PHE A 85 -12.393 1.553 -3.033 1.00 0.48 C ATOM 1316 CD2 PHE A 85 -11.663 -0.650 -2.485 1.00 0.35 C ATOM 1317 CE1 PHE A 85 -11.530 2.076 -2.087 1.00 0.54 C ATOM 1318 CE2 PHE A 85 -10.798 -0.126 -1.538 1.00 0.39 C ATOM 1319 CZ PHE A 85 -10.733 1.235 -1.341 1.00 0.39 C ATOM 0 H PHE A 85 -14.833 -1.702 -2.676 1.00 0.22 H new ATOM 0 HA PHE A 85 -14.971 0.970 -3.715 1.00 0.23 H new ATOM 0 HB2 PHE A 85 -13.274 -1.459 -4.330 1.00 0.22 H new ATOM 0 HB3 PHE A 85 -13.142 0.023 -5.256 1.00 0.22 H new ATOM 0 HD1 PHE A 85 -13.012 2.219 -3.615 1.00 0.48 H new ATOM 0 HD2 PHE A 85 -11.708 -1.719 -2.635 1.00 0.35 H new ATOM 0 HE1 PHE A 85 -11.481 3.144 -1.933 1.00 0.54 H new ATOM 0 HE2 PHE A 85 -10.174 -0.786 -0.954 1.00 0.39 H new ATOM 0 HZ PHE A 85 -10.058 1.643 -0.603 1.00 0.39 H new ATOM 1329 N HIS A 86 -16.225 -1.522 -5.428 1.00 0.24 N ATOM 1330 CA HIS A 86 -16.989 -1.905 -6.616 1.00 0.29 C ATOM 1331 C HIS A 86 -18.222 -1.018 -6.813 1.00 0.31 C ATOM 1332 O HIS A 86 -18.385 -0.403 -7.867 1.00 0.36 O ATOM 1333 CB HIS A 86 -17.407 -3.375 -6.520 1.00 0.31 C ATOM 1334 CG HIS A 86 -18.056 -3.911 -7.759 1.00 0.61 C ATOM 1335 ND1 HIS A 86 -19.424 -3.991 -7.876 1.00 1.62 N ATOM 1336 CD2 HIS A 86 -17.485 -4.397 -8.889 1.00 0.88 C ATOM 1337 CE1 HIS A 86 -19.652 -4.525 -9.064 1.00 1.76 C ATOM 1338 NE2 HIS A 86 -18.509 -4.786 -9.715 1.00 1.19 N ATOM 0 H HIS A 86 -16.117 -2.271 -4.744 1.00 0.24 H new ATOM 0 HA HIS A 86 -16.343 -1.767 -7.483 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -16.527 -3.977 -6.295 1.00 0.31 H new ATOM 0 HB3 HIS A 86 -18.096 -3.491 -5.683 1.00 0.31 H new ATOM 0 HD2 HIS A 86 -16.428 -4.465 -9.098 1.00 0.88 H new ATOM 0 HE1 HIS A 86 -20.636 -4.726 -9.461 1.00 1.76 H new ATOM 0 HE2 HIS A 86 -18.418 -5.195 -10.645 1.00 1.19 H new ATOM 1346 N SER A 87 -19.078 -0.930 -5.795 1.00 0.33 N ATOM 1347 CA SER A 87 -20.306 -0.146 -5.899 1.00 0.37 C ATOM 1348 C SER A 87 -19.996 1.354 -5.917 1.00 0.36 C ATOM 1349 O SER A 87 -20.832 2.171 -6.297 1.00 0.44 O ATOM 1350 CB SER A 87 -21.231 -0.479 -4.728 1.00 0.44 C ATOM 1351 OG SER A 87 -21.401 -1.881 -4.601 1.00 1.34 O ATOM 0 H SER A 87 -18.944 -1.389 -4.894 1.00 0.33 H new ATOM 0 HA SER A 87 -20.803 -0.401 -6.835 1.00 0.37 H new ATOM 0 HB2 SER A 87 -20.816 -0.074 -3.805 1.00 0.44 H new ATOM 0 HB3 SER A 87 -22.200 -0.003 -4.878 1.00 0.44 H new ATOM 0 HG SER A 87 -20.590 -2.276 -4.219 1.00 1.34 H new ATOM 1357 N ARG A 88 -18.786 1.693 -5.493 1.00 0.32 N ATOM 1358 CA ARG A 88 -18.306 3.071 -5.516 1.00 0.36 C ATOM 1359 C ARG A 88 -17.692 3.407 -6.874 1.00 0.38 C ATOM 1360 O ARG A 88 -16.975 4.395 -7.017 1.00 0.47 O ATOM 1361 CB ARG A 88 -17.304 3.310 -4.389 1.00 0.44 C ATOM 1362 CG ARG A 88 -17.844 4.178 -3.253 1.00 0.83 C ATOM 1363 CD ARG A 88 -19.183 3.677 -2.727 1.00 1.10 C ATOM 1364 NE ARG A 88 -19.131 2.271 -2.326 1.00 1.79 N ATOM 1365 CZ ARG A 88 -20.160 1.607 -1.797 1.00 2.33 C ATOM 1366 NH1 ARG A 88 -21.296 2.237 -1.527 1.00 2.20 N ATOM 1367 NH2 ARG A 88 -20.046 0.315 -1.524 1.00 3.30 N ATOM 0 H ARG A 88 -18.110 1.024 -5.124 1.00 0.32 H new ATOM 0 HA ARG A 88 -19.157 3.734 -5.358 1.00 0.36 H new ATOM 0 HB2 ARG A 88 -16.994 2.348 -3.982 1.00 0.44 H new ATOM 0 HB3 ARG A 88 -16.413 3.783 -4.802 1.00 0.44 H new ATOM 0 HG2 ARG A 88 -17.120 4.197 -2.438 1.00 0.83 H new ATOM 0 HG3 ARG A 88 -17.955 5.204 -3.604 1.00 0.83 H new ATOM 0 HD2 ARG A 88 -19.486 4.285 -1.874 1.00 1.10 H new ATOM 0 HD3 ARG A 88 -19.944 3.805 -3.497 1.00 1.10 H new ATOM 0 HE ARG A 88 -18.254 1.767 -2.459 1.00 1.79 H new ATOM 0 HH11 ARG A 88 -21.386 3.234 -1.724 1.00 2.20 H new ATOM 0 HH12 ARG A 88 -22.080 1.725 -1.123 1.00 2.20 H new ATOM 0 HH21 ARG A 88 -19.171 -0.172 -1.718 1.00 3.30 H new ATOM 0 HH22 ARG A 88 -20.833 -0.192 -1.120 1.00 3.30 H new ATOM 1381 N ASN A 89 -17.975 2.548 -7.852 1.00 0.37 N ATOM 1382 CA ASN A 89 -17.588 2.754 -9.252 1.00 0.44 C ATOM 1383 C ASN A 89 -16.090 2.589 -9.449 1.00 0.48 C ATOM 1384 O ASN A 89 -15.459 3.323 -10.216 1.00 0.66 O ATOM 1385 CB ASN A 89 -18.048 4.123 -9.780 1.00 0.51 C ATOM 1386 CG ASN A 89 -19.544 4.337 -9.635 1.00 1.01 C ATOM 1387 OD1 ASN A 89 -20.335 3.884 -10.463 1.00 1.58 O ATOM 1388 ND2 ASN A 89 -19.943 5.060 -8.601 1.00 1.87 N ATOM 0 H ASN A 89 -18.485 1.679 -7.696 1.00 0.37 H new ATOM 0 HA ASN A 89 -18.096 1.983 -9.831 1.00 0.44 H new ATOM 0 HB2 ASN A 89 -17.519 4.911 -9.243 1.00 0.51 H new ATOM 0 HB3 ASN A 89 -17.773 4.213 -10.831 1.00 0.51 H new ATOM 0 HD21 ASN A 89 -20.935 5.258 -8.470 1.00 1.87 H new ATOM 0 HD22 ASN A 89 -19.259 5.419 -7.935 1.00 1.87 H new ATOM 1395 N TYR A 90 -15.515 1.631 -8.741 1.00 0.36 N ATOM 1396 CA TYR A 90 -14.143 1.230 -8.985 1.00 0.36 C ATOM 1397 C TYR A 90 -13.995 -0.272 -8.808 1.00 0.33 C ATOM 1398 O TYR A 90 -13.767 -0.761 -7.704 1.00 0.30 O ATOM 1399 CB TYR A 90 -13.159 1.966 -8.070 1.00 0.37 C ATOM 1400 CG TYR A 90 -11.721 1.552 -8.315 1.00 0.42 C ATOM 1401 CD1 TYR A 90 -11.098 1.840 -9.522 1.00 0.57 C ATOM 1402 CD2 TYR A 90 -11.002 0.848 -7.356 1.00 0.42 C ATOM 1403 CE1 TYR A 90 -9.798 1.444 -9.765 1.00 0.66 C ATOM 1404 CE2 TYR A 90 -9.703 0.445 -7.596 1.00 0.51 C ATOM 1405 CZ TYR A 90 -9.106 0.745 -8.801 1.00 0.61 C ATOM 1406 OH TYR A 90 -7.814 0.338 -9.046 1.00 0.73 O ATOM 0 H TYR A 90 -15.979 1.117 -7.992 1.00 0.36 H new ATOM 0 HA TYR A 90 -13.902 1.500 -10.013 1.00 0.36 H new ATOM 0 HB2 TYR A 90 -13.256 3.040 -8.226 1.00 0.37 H new ATOM 0 HB3 TYR A 90 -13.418 1.770 -7.030 1.00 0.37 H new ATOM 0 HD1 TYR A 90 -11.639 2.383 -10.283 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -11.466 0.613 -6.410 1.00 0.42 H new ATOM 0 HE1 TYR A 90 -9.326 1.681 -10.707 1.00 0.66 H new ATOM 0 HE2 TYR A 90 -9.157 -0.103 -6.842 1.00 0.51 H new ATOM 0 HH TYR A 90 -7.468 -0.142 -8.264 1.00 0.73 H new ATOM 1416 N PRO A 91 -14.146 -1.029 -9.895 1.00 0.38 N ATOM 1417 CA PRO A 91 -13.911 -2.466 -9.871 1.00 0.38 C ATOM 1418 C PRO A 91 -12.426 -2.765 -9.698 1.00 0.36 C ATOM 1419 O PRO A 91 -11.622 -2.535 -10.606 1.00 0.45 O ATOM 1420 CB PRO A 91 -14.431 -2.942 -11.227 1.00 0.45 C ATOM 1421 CG PRO A 91 -14.351 -1.746 -12.114 1.00 0.50 C ATOM 1422 CD PRO A 91 -14.558 -0.549 -11.227 1.00 0.47 C ATOM 0 HA PRO A 91 -14.407 -2.969 -9.041 1.00 0.38 H new ATOM 0 HB2 PRO A 91 -13.827 -3.762 -11.615 1.00 0.45 H new ATOM 0 HB3 PRO A 91 -15.455 -3.308 -11.150 1.00 0.45 H new ATOM 0 HG2 PRO A 91 -13.384 -1.697 -12.614 1.00 0.50 H new ATOM 0 HG3 PRO A 91 -15.111 -1.788 -12.894 1.00 0.50 H new ATOM 0 HD2 PRO A 91 -13.955 0.299 -11.551 1.00 0.47 H new ATOM 0 HD3 PRO A 91 -15.598 -0.222 -11.231 1.00 0.47 H new ATOM 1430 N LEU A 92 -12.077 -3.245 -8.510 1.00 0.32 N ATOM 1431 CA LEU A 92 -10.690 -3.479 -8.124 1.00 0.32 C ATOM 1432 C LEU A 92 -9.950 -4.360 -9.114 1.00 0.30 C ATOM 1433 O LEU A 92 -10.487 -5.344 -9.621 1.00 0.30 O ATOM 1434 CB LEU A 92 -10.635 -4.139 -6.748 1.00 0.34 C ATOM 1435 CG LEU A 92 -10.936 -3.225 -5.567 1.00 0.33 C ATOM 1436 CD1 LEU A 92 -11.059 -4.034 -4.283 1.00 0.39 C ATOM 1437 CD2 LEU A 92 -9.840 -2.189 -5.434 1.00 0.32 C ATOM 0 H LEU A 92 -12.752 -3.484 -7.783 1.00 0.32 H new ATOM 0 HA LEU A 92 -10.201 -2.505 -8.106 1.00 0.32 H new ATOM 0 HB2 LEU A 92 -11.344 -4.967 -6.733 1.00 0.34 H new ATOM 0 HB3 LEU A 92 -9.642 -4.567 -6.609 1.00 0.34 H new ATOM 0 HG LEU A 92 -11.886 -2.720 -5.743 1.00 0.33 H new ATOM 0 HD11 LEU A 92 -11.274 -3.364 -3.450 1.00 0.39 H new ATOM 0 HD12 LEU A 92 -11.868 -4.758 -4.385 1.00 0.39 H new ATOM 0 HD13 LEU A 92 -10.123 -4.560 -4.093 1.00 0.39 H new ATOM 0 HD21 LEU A 92 -10.057 -1.536 -4.589 1.00 0.32 H new ATOM 0 HD22 LEU A 92 -8.885 -2.689 -5.271 1.00 0.32 H new ATOM 0 HD23 LEU A 92 -9.788 -1.595 -6.347 1.00 0.32 H new ATOM 1449 N LYS A 93 -8.709 -3.985 -9.381 1.00 0.30 N ATOM 1450 CA LYS A 93 -7.835 -4.785 -10.211 1.00 0.30 C ATOM 1451 C LYS A 93 -7.366 -6.013 -9.438 1.00 0.31 C ATOM 1452 O LYS A 93 -6.973 -7.018 -10.024 1.00 0.36 O ATOM 1453 CB LYS A 93 -6.636 -3.951 -10.656 1.00 0.38 C ATOM 1454 CG LYS A 93 -7.022 -2.647 -11.333 1.00 0.53 C ATOM 1455 CD LYS A 93 -5.798 -1.840 -11.733 1.00 0.84 C ATOM 1456 CE LYS A 93 -4.958 -2.559 -12.778 1.00 1.06 C ATOM 1457 NZ LYS A 93 -3.698 -1.827 -13.081 1.00 1.55 N ATOM 0 H LYS A 93 -8.286 -3.125 -9.030 1.00 0.30 H new ATOM 0 HA LYS A 93 -8.382 -5.114 -11.094 1.00 0.30 H new ATOM 0 HB2 LYS A 93 -6.015 -3.730 -9.788 1.00 0.38 H new ATOM 0 HB3 LYS A 93 -6.028 -4.541 -11.342 1.00 0.38 H new ATOM 0 HG2 LYS A 93 -7.623 -2.860 -12.217 1.00 0.53 H new ATOM 0 HG3 LYS A 93 -7.643 -2.057 -10.659 1.00 0.53 H new ATOM 0 HD2 LYS A 93 -6.113 -0.873 -12.124 1.00 0.84 H new ATOM 0 HD3 LYS A 93 -5.189 -1.644 -10.851 1.00 0.84 H new ATOM 0 HE2 LYS A 93 -4.718 -3.561 -12.423 1.00 1.06 H new ATOM 0 HE3 LYS A 93 -5.539 -2.675 -13.693 1.00 1.06 H new ATOM 0 HZ1 LYS A 93 -3.140 -2.368 -13.772 1.00 1.55 H new ATOM 0 HZ2 LYS A 93 -3.926 -0.892 -13.476 1.00 1.55 H new ATOM 0 HZ3 LYS A 93 -3.146 -1.709 -12.207 1.00 1.55 H new ATOM 1471 N PHE A 94 -7.394 -5.905 -8.112 1.00 0.35 N ATOM 1472 CA PHE A 94 -7.002 -7.005 -7.238 1.00 0.44 C ATOM 1473 C PHE A 94 -7.970 -7.124 -6.054 1.00 0.44 C ATOM 1474 O PHE A 94 -7.579 -6.906 -4.907 1.00 0.48 O ATOM 1475 CB PHE A 94 -5.578 -6.772 -6.714 1.00 0.58 C ATOM 1476 CG PHE A 94 -4.598 -6.332 -7.766 1.00 0.58 C ATOM 1477 CD1 PHE A 94 -3.938 -7.255 -8.566 1.00 0.70 C ATOM 1478 CD2 PHE A 94 -4.336 -4.983 -7.953 1.00 0.57 C ATOM 1479 CE1 PHE A 94 -3.041 -6.838 -9.528 1.00 0.77 C ATOM 1480 CE2 PHE A 94 -3.440 -4.565 -8.915 1.00 0.61 C ATOM 1481 CZ PHE A 94 -2.794 -5.493 -9.703 1.00 0.70 C ATOM 0 H PHE A 94 -7.686 -5.062 -7.618 1.00 0.35 H new ATOM 0 HA PHE A 94 -7.033 -7.931 -7.812 1.00 0.44 H new ATOM 0 HB2 PHE A 94 -5.611 -6.019 -5.927 1.00 0.58 H new ATOM 0 HB3 PHE A 94 -5.215 -7.693 -6.258 1.00 0.58 H new ATOM 0 HD1 PHE A 94 -4.129 -8.310 -8.434 1.00 0.70 H new ATOM 0 HD2 PHE A 94 -4.839 -4.251 -7.338 1.00 0.57 H new ATOM 0 HE1 PHE A 94 -2.533 -7.565 -10.144 1.00 0.77 H new ATOM 0 HE2 PHE A 94 -3.245 -3.511 -9.051 1.00 0.61 H new ATOM 0 HZ PHE A 94 -2.094 -5.166 -10.458 1.00 0.70 H new ATOM 1491 N PRO A 95 -9.245 -7.473 -6.310 1.00 0.45 N ATOM 1492 CA PRO A 95 -10.284 -7.516 -5.272 1.00 0.52 C ATOM 1493 C PRO A 95 -10.113 -8.679 -4.298 1.00 0.51 C ATOM 1494 O PRO A 95 -10.479 -8.581 -3.128 1.00 0.55 O ATOM 1495 CB PRO A 95 -11.595 -7.685 -6.055 1.00 0.66 C ATOM 1496 CG PRO A 95 -11.239 -7.540 -7.499 1.00 0.57 C ATOM 1497 CD PRO A 95 -9.779 -7.870 -7.618 1.00 0.45 C ATOM 0 HA PRO A 95 -10.248 -6.618 -4.656 1.00 0.52 H new ATOM 0 HB2 PRO A 95 -12.042 -8.660 -5.860 1.00 0.66 H new ATOM 0 HB3 PRO A 95 -12.326 -6.934 -5.757 1.00 0.66 H new ATOM 0 HG2 PRO A 95 -11.839 -8.210 -8.115 1.00 0.57 H new ATOM 0 HG3 PRO A 95 -11.436 -6.526 -7.846 1.00 0.57 H new ATOM 0 HD2 PRO A 95 -9.619 -8.930 -7.815 1.00 0.45 H new ATOM 0 HD3 PRO A 95 -9.306 -7.320 -8.431 1.00 0.45 H new ATOM 1505 N GLN A 96 -9.562 -9.780 -4.790 1.00 0.56 N ATOM 1506 CA GLN A 96 -9.444 -11.004 -4.000 1.00 0.70 C ATOM 1507 C GLN A 96 -8.252 -10.953 -3.055 1.00 0.75 C ATOM 1508 O GLN A 96 -8.060 -11.859 -2.254 1.00 0.96 O ATOM 1509 CB GLN A 96 -9.278 -12.222 -4.916 1.00 0.83 C ATOM 1510 CG GLN A 96 -10.539 -12.685 -5.639 1.00 0.93 C ATOM 1511 CD GLN A 96 -11.111 -11.649 -6.585 1.00 1.70 C ATOM 1512 OE1 GLN A 96 -10.679 -11.532 -7.728 1.00 2.40 O ATOM 1513 NE2 GLN A 96 -12.120 -10.926 -6.132 1.00 2.31 N ATOM 0 H GLN A 96 -9.187 -9.853 -5.736 1.00 0.56 H new ATOM 0 HA GLN A 96 -10.360 -11.090 -3.416 1.00 0.70 H new ATOM 0 HB2 GLN A 96 -8.518 -11.991 -5.662 1.00 0.83 H new ATOM 0 HB3 GLN A 96 -8.898 -13.052 -4.320 1.00 0.83 H new ATOM 0 HG2 GLN A 96 -10.314 -13.592 -6.200 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -11.296 -12.947 -4.900 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -12.450 -11.053 -5.175 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -12.569 -10.241 -6.739 1.00 2.31 H new ATOM 1522 N LEU A 97 -7.463 -9.899 -3.133 1.00 0.67 N ATOM 1523 CA LEU A 97 -6.164 -9.890 -2.477 1.00 0.81 C ATOM 1524 C LEU A 97 -6.168 -9.048 -1.202 1.00 0.61 C ATOM 1525 O LEU A 97 -7.091 -8.266 -0.964 1.00 0.55 O ATOM 1526 CB LEU A 97 -5.109 -9.403 -3.471 1.00 1.09 C ATOM 1527 CG LEU A 97 -5.092 -10.182 -4.794 1.00 1.70 C ATOM 1528 CD1 LEU A 97 -4.077 -9.612 -5.762 1.00 2.43 C ATOM 1529 CD2 LEU A 97 -4.805 -11.650 -4.543 1.00 2.44 C ATOM 0 H LEU A 97 -7.693 -9.044 -3.639 1.00 0.67 H new ATOM 0 HA LEU A 97 -5.922 -10.906 -2.164 1.00 0.81 H new ATOM 0 HB2 LEU A 97 -5.285 -8.349 -3.684 1.00 1.09 H new ATOM 0 HB3 LEU A 97 -4.126 -9.475 -3.006 1.00 1.09 H new ATOM 0 HG LEU A 97 -6.079 -10.084 -5.245 1.00 1.70 H new ATOM 0 HD11 LEU A 97 -4.093 -10.188 -6.687 1.00 2.43 H new ATOM 0 HD12 LEU A 97 -4.324 -8.572 -5.978 1.00 2.43 H new ATOM 0 HD13 LEU A 97 -3.082 -9.664 -5.319 1.00 2.43 H new ATOM 0 HD21 LEU A 97 -4.797 -12.187 -5.492 1.00 2.44 H new ATOM 0 HD22 LEU A 97 -3.834 -11.753 -4.059 1.00 2.44 H new ATOM 0 HD23 LEU A 97 -5.578 -12.067 -3.897 1.00 2.44 H new ATOM 1541 N HIS A 98 -5.131 -9.235 -0.385 1.00 0.58 N ATOM 1542 CA HIS A 98 -5.003 -8.580 0.921 1.00 0.51 C ATOM 1543 C HIS A 98 -4.987 -7.060 0.825 1.00 0.54 C ATOM 1544 O HIS A 98 -4.517 -6.476 -0.159 1.00 0.68 O ATOM 1545 CB HIS A 98 -3.737 -9.059 1.624 1.00 0.53 C ATOM 1546 CG HIS A 98 -3.801 -10.485 2.069 1.00 0.54 C ATOM 1547 ND1 HIS A 98 -3.953 -11.511 1.174 1.00 0.71 N ATOM 1548 CD2 HIS A 98 -3.749 -10.993 3.319 1.00 0.56 C ATOM 1549 CE1 HIS A 98 -3.996 -12.617 1.894 1.00 0.74 C ATOM 1550 NE2 HIS A 98 -3.875 -12.354 3.204 1.00 0.65 N ATOM 0 H HIS A 98 -4.349 -9.850 -0.611 1.00 0.58 H new ATOM 0 HA HIS A 98 -5.885 -8.858 1.498 1.00 0.51 H new ATOM 0 HB2 HIS A 98 -2.889 -8.935 0.951 1.00 0.53 H new ATOM 0 HB3 HIS A 98 -3.551 -8.425 2.491 1.00 0.53 H new ATOM 0 HD2 HIS A 98 -3.631 -10.434 4.235 1.00 0.56 H new ATOM 0 HE1 HIS A 98 -4.114 -13.608 1.481 1.00 0.74 H new ATOM 0 HE2 HIS A 98 -3.876 -13.033 3.965 1.00 0.65 H new ATOM 1558 N CYS A 99 -5.491 -6.433 1.878 1.00 0.46 N ATOM 1559 CA CYS A 99 -5.650 -4.992 1.928 1.00 0.52 C ATOM 1560 C CYS A 99 -4.435 -4.303 2.548 1.00 0.45 C ATOM 1561 O CYS A 99 -3.706 -4.886 3.354 1.00 0.53 O ATOM 1562 CB CYS A 99 -6.890 -4.651 2.752 1.00 0.64 C ATOM 1563 SG CYS A 99 -8.231 -5.850 2.585 1.00 0.55 S ATOM 0 H CYS A 99 -5.801 -6.913 2.723 1.00 0.46 H new ATOM 0 HA CYS A 99 -5.754 -4.633 0.904 1.00 0.52 H new ATOM 0 HB2 CYS A 99 -6.608 -4.580 3.802 1.00 0.64 H new ATOM 0 HB3 CYS A 99 -7.255 -3.668 2.452 1.00 0.64 H new ATOM 0 HG CYS A 99 -7.906 -6.952 3.192 1.00 0.55 H new ATOM 1569 N LEU A 100 -4.239 -3.062 2.140 1.00 0.34 N ATOM 1570 CA LEU A 100 -3.267 -2.165 2.730 1.00 0.30 C ATOM 1571 C LEU A 100 -3.823 -1.616 4.028 1.00 0.29 C ATOM 1572 O LEU A 100 -4.948 -1.125 4.060 1.00 0.28 O ATOM 1573 CB LEU A 100 -2.976 -1.013 1.760 1.00 0.31 C ATOM 1574 CG LEU A 100 -2.015 0.062 2.274 1.00 0.33 C ATOM 1575 CD1 LEU A 100 -0.653 -0.546 2.546 1.00 0.40 C ATOM 1576 CD2 LEU A 100 -1.892 1.186 1.261 1.00 0.40 C ATOM 0 H LEU A 100 -4.764 -2.643 1.372 1.00 0.34 H new ATOM 0 HA LEU A 100 -2.341 -2.704 2.930 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -2.566 -1.431 0.841 1.00 0.31 H new ATOM 0 HB3 LEU A 100 -3.920 -0.535 1.499 1.00 0.31 H new ATOM 0 HG LEU A 100 -2.412 0.471 3.203 1.00 0.33 H new ATOM 0 HD11 LEU A 100 0.024 0.226 2.911 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -0.748 -1.330 3.297 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -0.254 -0.972 1.625 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -1.206 1.943 1.640 1.00 0.40 H new ATOM 0 HD22 LEU A 100 -1.511 0.788 0.321 1.00 0.40 H new ATOM 0 HD23 LEU A 100 -2.871 1.635 1.095 1.00 0.40 H new ATOM 1588 N ASN A 101 -3.044 -1.696 5.090 1.00 0.30 N ATOM 1589 CA ASN A 101 -3.504 -1.247 6.391 1.00 0.32 C ATOM 1590 C ASN A 101 -2.720 -0.025 6.840 1.00 0.30 C ATOM 1591 O ASN A 101 -1.541 -0.116 7.197 1.00 0.35 O ATOM 1592 CB ASN A 101 -3.378 -2.366 7.431 1.00 0.38 C ATOM 1593 CG ASN A 101 -3.846 -1.936 8.811 1.00 0.44 C ATOM 1594 OD1 ASN A 101 -4.731 -1.098 8.946 1.00 1.01 O ATOM 1595 ND2 ASN A 101 -3.252 -2.516 9.845 1.00 0.89 N ATOM 0 H ASN A 101 -2.094 -2.066 5.078 1.00 0.30 H new ATOM 0 HA ASN A 101 -4.556 -0.976 6.302 1.00 0.32 H new ATOM 0 HB2 ASN A 101 -3.962 -3.227 7.105 1.00 0.38 H new ATOM 0 HB3 ASN A 101 -2.338 -2.689 7.488 1.00 0.38 H new ATOM 0 HD21 ASN A 101 -3.527 -2.269 10.796 1.00 0.89 H new ATOM 0 HD22 ASN A 101 -2.520 -3.209 9.690 1.00 0.89 H new ATOM 1602 N VAL A 102 -3.373 1.119 6.801 1.00 0.26 N ATOM 1603 CA VAL A 102 -2.755 2.359 7.233 1.00 0.25 C ATOM 1604 C VAL A 102 -3.520 2.950 8.413 1.00 0.32 C ATOM 1605 O VAL A 102 -4.671 2.587 8.659 1.00 0.36 O ATOM 1606 CB VAL A 102 -2.673 3.387 6.080 1.00 0.21 C ATOM 1607 CG1 VAL A 102 -1.739 2.897 4.991 1.00 0.21 C ATOM 1608 CG2 VAL A 102 -4.042 3.660 5.491 1.00 0.22 C ATOM 0 H VAL A 102 -4.334 1.217 6.474 1.00 0.26 H new ATOM 0 HA VAL A 102 -1.737 2.129 7.547 1.00 0.25 H new ATOM 0 HB VAL A 102 -2.282 4.315 6.496 1.00 0.21 H new ATOM 0 HG11 VAL A 102 -1.696 3.635 4.190 1.00 0.21 H new ATOM 0 HG12 VAL A 102 -0.741 2.752 5.405 1.00 0.21 H new ATOM 0 HG13 VAL A 102 -2.108 1.951 4.594 1.00 0.21 H new ATOM 0 HG21 VAL A 102 -3.952 4.386 4.683 1.00 0.22 H new ATOM 0 HG22 VAL A 102 -4.462 2.733 5.101 1.00 0.22 H new ATOM 0 HG23 VAL A 102 -4.698 4.058 6.265 1.00 0.22 H new ATOM 1618 N GLY A 103 -2.881 3.849 9.142 1.00 0.38 N ATOM 1619 CA GLY A 103 -3.517 4.449 10.297 1.00 0.50 C ATOM 1620 C GLY A 103 -2.983 3.903 11.607 1.00 0.65 C ATOM 1621 O GLY A 103 -1.822 4.127 11.953 1.00 0.90 O ATOM 0 H GLY A 103 -1.933 4.175 8.956 1.00 0.38 H new ATOM 0 HA2 GLY A 103 -3.367 5.528 10.270 1.00 0.50 H new ATOM 0 HA3 GLY A 103 -4.592 4.275 10.246 1.00 0.50 H new ATOM 1625 N SER A 104 -3.826 3.178 12.328 1.00 0.67 N ATOM 1626 CA SER A 104 -3.473 2.666 13.645 1.00 0.79 C ATOM 1627 C SER A 104 -4.113 1.300 13.885 1.00 0.79 C ATOM 1628 O SER A 104 -4.837 0.795 13.029 1.00 0.74 O ATOM 1629 CB SER A 104 -3.905 3.661 14.728 1.00 0.99 C ATOM 1630 OG SER A 104 -5.269 4.025 14.581 1.00 1.69 O ATOM 0 H SER A 104 -4.766 2.929 12.020 1.00 0.67 H new ATOM 0 HA SER A 104 -2.391 2.544 13.692 1.00 0.79 H new ATOM 0 HB2 SER A 104 -3.748 3.220 15.713 1.00 0.99 H new ATOM 0 HB3 SER A 104 -3.281 4.553 14.675 1.00 0.99 H new ATOM 0 HG SER A 104 -5.516 4.659 15.286 1.00 1.69 H new ATOM 1636 N SER A 105 -3.829 0.691 15.030 1.00 0.95 N ATOM 1637 CA SER A 105 -4.393 -0.612 15.354 1.00 1.05 C ATOM 1638 C SER A 105 -5.916 -0.527 15.484 1.00 1.13 C ATOM 1639 O SER A 105 -6.645 -1.364 14.942 1.00 1.21 O ATOM 1640 CB SER A 105 -3.789 -1.144 16.655 1.00 1.24 C ATOM 1641 OG SER A 105 -2.372 -1.181 16.594 1.00 1.56 O ATOM 0 H SER A 105 -3.214 1.077 15.746 1.00 0.95 H new ATOM 0 HA SER A 105 -4.151 -1.298 14.542 1.00 1.05 H new ATOM 0 HB2 SER A 105 -4.102 -0.513 17.487 1.00 1.24 H new ATOM 0 HB3 SER A 105 -4.172 -2.145 16.852 1.00 1.24 H new ATOM 0 HG SER A 105 -2.017 -1.524 17.441 1.00 1.56 H new ATOM 1647 N ILE A 106 -6.390 0.497 16.190 1.00 1.17 N ATOM 1648 CA ILE A 106 -7.819 0.659 16.437 1.00 1.29 C ATOM 1649 C ILE A 106 -8.530 1.248 15.222 1.00 1.21 C ATOM 1650 O ILE A 106 -9.662 0.874 14.911 1.00 1.34 O ATOM 1651 CB ILE A 106 -8.103 1.553 17.668 1.00 1.42 C ATOM 1652 CG1 ILE A 106 -7.514 2.967 17.489 1.00 1.33 C ATOM 1653 CG2 ILE A 106 -7.560 0.902 18.933 1.00 1.54 C ATOM 1654 CD1 ILE A 106 -6.026 3.081 17.775 1.00 1.65 C ATOM 0 H ILE A 106 -5.806 1.226 16.600 1.00 1.17 H new ATOM 0 HA ILE A 106 -8.206 -0.340 16.636 1.00 1.29 H new ATOM 0 HB ILE A 106 -9.184 1.656 17.763 1.00 1.42 H new ATOM 0 HG12 ILE A 106 -7.699 3.295 16.466 1.00 1.33 H new ATOM 0 HG13 ILE A 106 -8.049 3.653 18.145 1.00 1.33 H new ATOM 0 HG21 ILE A 106 -7.768 1.543 19.790 1.00 1.54 H new ATOM 0 HG22 ILE A 106 -8.040 -0.066 19.079 1.00 1.54 H new ATOM 0 HG23 ILE A 106 -6.483 0.762 18.837 1.00 1.54 H new ATOM 0 HD11 ILE A 106 -5.704 4.111 17.622 1.00 1.65 H new ATOM 0 HD12 ILE A 106 -5.830 2.789 18.807 1.00 1.65 H new ATOM 0 HD13 ILE A 106 -5.475 2.425 17.101 1.00 1.65 H new ATOM 1666 N LYS A 107 -7.871 2.168 14.539 1.00 1.03 N ATOM 1667 CA LYS A 107 -8.409 2.722 13.310 1.00 0.98 C ATOM 1668 C LYS A 107 -7.611 2.212 12.124 1.00 0.82 C ATOM 1669 O LYS A 107 -6.515 2.695 11.844 1.00 0.77 O ATOM 1670 CB LYS A 107 -8.363 4.249 13.360 1.00 1.09 C ATOM 1671 CG LYS A 107 -9.395 4.869 14.286 1.00 1.56 C ATOM 1672 CD LYS A 107 -10.775 4.897 13.652 1.00 1.87 C ATOM 1673 CE LYS A 107 -10.782 5.751 12.392 1.00 1.81 C ATOM 1674 NZ LYS A 107 -12.154 5.944 11.853 1.00 2.29 N ATOM 0 H LYS A 107 -6.965 2.546 14.814 1.00 1.03 H new ATOM 0 HA LYS A 107 -9.447 2.407 13.200 1.00 0.98 H new ATOM 0 HB2 LYS A 107 -7.369 4.562 13.679 1.00 1.09 H new ATOM 0 HB3 LYS A 107 -8.512 4.640 12.353 1.00 1.09 H new ATOM 0 HG2 LYS A 107 -9.434 4.304 15.217 1.00 1.56 H new ATOM 0 HG3 LYS A 107 -9.091 5.884 14.541 1.00 1.56 H new ATOM 0 HD2 LYS A 107 -11.087 3.882 13.408 1.00 1.87 H new ATOM 0 HD3 LYS A 107 -11.499 5.291 14.366 1.00 1.87 H new ATOM 0 HE2 LYS A 107 -10.339 6.723 12.611 1.00 1.81 H new ATOM 0 HE3 LYS A 107 -10.158 5.280 11.632 1.00 1.81 H new ATOM 0 HZ1 LYS A 107 -12.111 6.531 10.996 1.00 2.29 H new ATOM 0 HZ2 LYS A 107 -12.568 5.019 11.619 1.00 2.29 H new ATOM 0 HZ3 LYS A 107 -12.744 6.417 12.567 1.00 2.29 H new ATOM 1688 N SER A 108 -8.189 1.268 11.405 1.00 0.80 N ATOM 1689 CA SER A 108 -7.503 0.630 10.304 1.00 0.69 C ATOM 1690 C SER A 108 -8.094 1.073 8.977 1.00 0.60 C ATOM 1691 O SER A 108 -9.197 0.657 8.608 1.00 0.74 O ATOM 1692 CB SER A 108 -7.604 -0.889 10.450 1.00 0.78 C ATOM 1693 OG SER A 108 -8.960 -1.298 10.556 1.00 1.43 O ATOM 0 H SER A 108 -9.136 0.927 11.567 1.00 0.80 H new ATOM 0 HA SER A 108 -6.453 0.924 10.323 1.00 0.69 H new ATOM 0 HB2 SER A 108 -7.140 -1.373 9.590 1.00 0.78 H new ATOM 0 HB3 SER A 108 -7.053 -1.211 11.333 1.00 0.78 H new ATOM 0 HG SER A 108 -9.504 -0.798 9.912 1.00 1.43 H new ATOM 1699 N ILE A 109 -7.378 1.933 8.274 1.00 0.44 N ATOM 1700 CA ILE A 109 -7.789 2.340 6.947 1.00 0.39 C ATOM 1701 C ILE A 109 -7.318 1.287 5.964 1.00 0.35 C ATOM 1702 O ILE A 109 -6.117 1.149 5.724 1.00 0.34 O ATOM 1703 CB ILE A 109 -7.180 3.692 6.535 1.00 0.37 C ATOM 1704 CG1 ILE A 109 -6.966 4.601 7.742 1.00 0.41 C ATOM 1705 CG2 ILE A 109 -8.070 4.382 5.517 1.00 0.40 C ATOM 1706 CD1 ILE A 109 -5.988 5.719 7.463 1.00 0.42 C ATOM 0 H ILE A 109 -6.512 2.361 8.601 1.00 0.44 H new ATOM 0 HA ILE A 109 -8.874 2.447 6.947 1.00 0.39 H new ATOM 0 HB ILE A 109 -6.207 3.493 6.086 1.00 0.37 H new ATOM 0 HG12 ILE A 109 -7.922 5.027 8.045 1.00 0.41 H new ATOM 0 HG13 ILE A 109 -6.602 4.006 8.580 1.00 0.41 H new ATOM 0 HG21 ILE A 109 -7.627 5.337 5.235 1.00 0.40 H new ATOM 0 HG22 ILE A 109 -8.168 3.752 4.633 1.00 0.40 H new ATOM 0 HG23 ILE A 109 -9.055 4.553 5.952 1.00 0.40 H new ATOM 0 HD11 ILE A 109 -5.874 6.334 8.356 1.00 0.42 H new ATOM 0 HD12 ILE A 109 -5.022 5.297 7.188 1.00 0.42 H new ATOM 0 HD13 ILE A 109 -6.362 6.334 6.644 1.00 0.42 H new ATOM 1718 N LEU A 110 -8.250 0.543 5.405 1.00 0.36 N ATOM 1719 CA LEU A 110 -7.893 -0.572 4.550 1.00 0.31 C ATOM 1720 C LEU A 110 -8.105 -0.230 3.081 1.00 0.31 C ATOM 1721 O LEU A 110 -9.226 0.025 2.642 1.00 0.37 O ATOM 1722 CB LEU A 110 -8.692 -1.814 4.938 1.00 0.34 C ATOM 1723 CG LEU A 110 -8.464 -2.303 6.372 1.00 0.43 C ATOM 1724 CD1 LEU A 110 -9.315 -3.526 6.668 1.00 0.65 C ATOM 1725 CD2 LEU A 110 -6.992 -2.611 6.600 1.00 0.83 C ATOM 0 H LEU A 110 -9.253 0.687 5.525 1.00 0.36 H new ATOM 0 HA LEU A 110 -6.833 -0.782 4.691 1.00 0.31 H new ATOM 0 HB2 LEU A 110 -9.753 -1.602 4.806 1.00 0.34 H new ATOM 0 HB3 LEU A 110 -8.440 -2.621 4.250 1.00 0.34 H new ATOM 0 HG LEU A 110 -8.763 -1.508 7.055 1.00 0.43 H new ATOM 0 HD11 LEU A 110 -9.136 -3.855 7.692 1.00 0.65 H new ATOM 0 HD12 LEU A 110 -10.369 -3.274 6.547 1.00 0.65 H new ATOM 0 HD13 LEU A 110 -9.052 -4.328 5.978 1.00 0.65 H new ATOM 0 HD21 LEU A 110 -6.847 -2.957 7.623 1.00 0.83 H new ATOM 0 HD22 LEU A 110 -6.671 -3.387 5.905 1.00 0.83 H new ATOM 0 HD23 LEU A 110 -6.402 -1.710 6.435 1.00 0.83 H new ATOM 1737 N LEU A 111 -7.007 -0.215 2.340 1.00 0.28 N ATOM 1738 CA LEU A 111 -7.024 0.141 0.921 1.00 0.30 C ATOM 1739 C LEU A 111 -6.483 -1.029 0.094 1.00 0.30 C ATOM 1740 O LEU A 111 -6.155 -2.065 0.639 1.00 0.61 O ATOM 1741 CB LEU A 111 -6.137 1.375 0.675 1.00 0.52 C ATOM 1742 CG LEU A 111 -5.825 2.236 1.904 1.00 0.40 C ATOM 1743 CD1 LEU A 111 -4.691 3.206 1.608 1.00 0.48 C ATOM 1744 CD2 LEU A 111 -7.049 3.007 2.359 1.00 0.62 C ATOM 0 H LEU A 111 -6.081 -0.447 2.699 1.00 0.28 H new ATOM 0 HA LEU A 111 -8.049 0.365 0.627 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -5.194 1.039 0.243 1.00 0.52 H new ATOM 0 HB3 LEU A 111 -6.623 2.004 -0.070 1.00 0.52 H new ATOM 0 HG LEU A 111 -5.520 1.563 2.706 1.00 0.40 H new ATOM 0 HD11 LEU A 111 -4.486 3.807 2.494 1.00 0.48 H new ATOM 0 HD12 LEU A 111 -3.796 2.647 1.334 1.00 0.48 H new ATOM 0 HD13 LEU A 111 -4.977 3.860 0.784 1.00 0.48 H new ATOM 0 HD21 LEU A 111 -6.796 3.608 3.232 1.00 0.62 H new ATOM 0 HD22 LEU A 111 -7.388 3.660 1.554 1.00 0.62 H new ATOM 0 HD23 LEU A 111 -7.844 2.308 2.618 1.00 0.62 H new ATOM 1756 N PRO A 112 -6.445 -0.915 -1.235 1.00 0.34 N ATOM 1757 CA PRO A 112 -5.613 -1.761 -2.077 1.00 0.33 C ATOM 1758 C PRO A 112 -4.374 -0.999 -2.545 1.00 0.32 C ATOM 1759 O PRO A 112 -4.453 0.171 -2.920 1.00 0.33 O ATOM 1760 CB PRO A 112 -6.552 -2.047 -3.246 1.00 0.35 C ATOM 1761 CG PRO A 112 -7.435 -0.828 -3.349 1.00 0.81 C ATOM 1762 CD PRO A 112 -7.285 -0.041 -2.060 1.00 0.64 C ATOM 0 HA PRO A 112 -5.236 -2.656 -1.582 1.00 0.33 H new ATOM 0 HB2 PRO A 112 -5.995 -2.209 -4.169 1.00 0.35 H new ATOM 0 HB3 PRO A 112 -7.141 -2.946 -3.067 1.00 0.35 H new ATOM 0 HG2 PRO A 112 -7.147 -0.218 -4.205 1.00 0.81 H new ATOM 0 HG3 PRO A 112 -8.474 -1.120 -3.500 1.00 0.81 H new ATOM 0 HD2 PRO A 112 -6.814 0.927 -2.231 1.00 0.64 H new ATOM 0 HD3 PRO A 112 -8.250 0.152 -1.591 1.00 0.64 H new ATOM 1770 N ILE A 113 -3.232 -1.670 -2.543 1.00 0.33 N ATOM 1771 CA ILE A 113 -1.957 -1.013 -2.815 1.00 0.29 C ATOM 1772 C ILE A 113 -1.861 -0.500 -4.269 1.00 0.30 C ATOM 1773 O ILE A 113 -0.991 0.308 -4.592 1.00 0.28 O ATOM 1774 CB ILE A 113 -0.768 -1.950 -2.481 1.00 0.30 C ATOM 1775 CG1 ILE A 113 0.553 -1.198 -2.606 1.00 0.26 C ATOM 1776 CG2 ILE A 113 -0.773 -3.192 -3.363 1.00 0.33 C ATOM 1777 CD1 ILE A 113 0.749 -0.160 -1.522 1.00 0.25 C ATOM 0 H ILE A 113 -3.159 -2.670 -2.356 1.00 0.33 H new ATOM 0 HA ILE A 113 -1.904 -0.141 -2.164 1.00 0.29 H new ATOM 0 HB ILE A 113 -0.881 -2.282 -1.449 1.00 0.30 H new ATOM 0 HG12 ILE A 113 1.376 -1.912 -2.570 1.00 0.26 H new ATOM 0 HG13 ILE A 113 0.596 -0.710 -3.580 1.00 0.26 H new ATOM 0 HG21 ILE A 113 0.074 -3.827 -3.102 1.00 0.33 H new ATOM 0 HG22 ILE A 113 -1.701 -3.743 -3.210 1.00 0.33 H new ATOM 0 HG23 ILE A 113 -0.696 -2.896 -4.409 1.00 0.33 H new ATOM 0 HD11 ILE A 113 1.707 0.340 -1.666 1.00 0.25 H new ATOM 0 HD12 ILE A 113 -0.055 0.574 -1.572 1.00 0.25 H new ATOM 0 HD13 ILE A 113 0.737 -0.646 -0.546 1.00 0.25 H new ATOM 1789 N GLU A 114 -2.772 -0.950 -5.135 1.00 0.36 N ATOM 1790 CA GLU A 114 -2.834 -0.454 -6.516 1.00 0.42 C ATOM 1791 C GLU A 114 -3.192 1.035 -6.531 1.00 0.33 C ATOM 1792 O GLU A 114 -2.774 1.782 -7.416 1.00 0.41 O ATOM 1793 CB GLU A 114 -3.855 -1.264 -7.342 1.00 0.57 C ATOM 1794 CG GLU A 114 -4.080 -0.739 -8.759 1.00 0.72 C ATOM 1795 CD GLU A 114 -2.856 -0.853 -9.653 1.00 1.47 C ATOM 1796 OE1 GLU A 114 -1.970 0.024 -9.583 1.00 1.90 O ATOM 1797 OE2 GLU A 114 -2.785 -1.810 -10.451 1.00 1.87 O ATOM 0 H GLU A 114 -3.475 -1.654 -4.908 1.00 0.36 H new ATOM 0 HA GLU A 114 -1.852 -0.580 -6.971 1.00 0.42 H new ATOM 0 HB2 GLU A 114 -3.517 -2.299 -7.400 1.00 0.57 H new ATOM 0 HB3 GLU A 114 -4.809 -1.269 -6.814 1.00 0.57 H new ATOM 0 HG2 GLU A 114 -4.904 -1.288 -9.214 1.00 0.72 H new ATOM 0 HG3 GLU A 114 -4.384 0.306 -8.706 1.00 0.72 H new ATOM 1804 N LEU A 115 -3.918 1.470 -5.513 1.00 0.24 N ATOM 1805 CA LEU A 115 -4.394 2.848 -5.449 1.00 0.24 C ATOM 1806 C LEU A 115 -3.444 3.714 -4.636 1.00 0.21 C ATOM 1807 O LEU A 115 -3.806 4.804 -4.191 1.00 0.29 O ATOM 1808 CB LEU A 115 -5.794 2.907 -4.834 1.00 0.30 C ATOM 1809 CG LEU A 115 -6.918 2.346 -5.703 1.00 0.39 C ATOM 1810 CD1 LEU A 115 -8.246 2.433 -4.965 1.00 0.93 C ATOM 1811 CD2 LEU A 115 -6.988 3.098 -7.021 1.00 1.03 C ATOM 0 H LEU A 115 -4.192 0.891 -4.719 1.00 0.24 H new ATOM 0 HA LEU A 115 -4.435 3.232 -6.468 1.00 0.24 H new ATOM 0 HB2 LEU A 115 -5.781 2.361 -3.891 1.00 0.30 H new ATOM 0 HB3 LEU A 115 -6.025 3.946 -4.598 1.00 0.30 H new ATOM 0 HG LEU A 115 -6.709 1.297 -5.915 1.00 0.39 H new ATOM 0 HD11 LEU A 115 -9.039 2.030 -5.595 1.00 0.93 H new ATOM 0 HD12 LEU A 115 -8.188 1.857 -4.042 1.00 0.93 H new ATOM 0 HD13 LEU A 115 -8.464 3.475 -4.729 1.00 0.93 H new ATOM 0 HD21 LEU A 115 -7.793 2.689 -7.631 1.00 1.03 H new ATOM 0 HD22 LEU A 115 -7.180 4.153 -6.828 1.00 1.03 H new ATOM 0 HD23 LEU A 115 -6.041 2.992 -7.551 1.00 1.03 H new ATOM 1823 N CYS A 116 -2.232 3.228 -4.439 1.00 0.24 N ATOM 1824 CA CYS A 116 -1.256 3.946 -3.648 1.00 0.23 C ATOM 1825 C CYS A 116 0.087 3.987 -4.357 1.00 0.22 C ATOM 1826 O CYS A 116 0.530 2.998 -4.941 1.00 0.25 O ATOM 1827 CB CYS A 116 -1.111 3.290 -2.278 1.00 0.25 C ATOM 1828 SG CYS A 116 -2.673 3.123 -1.390 1.00 0.37 S ATOM 0 H CYS A 116 -1.903 2.340 -4.817 1.00 0.24 H new ATOM 0 HA CYS A 116 -1.603 4.971 -3.516 1.00 0.23 H new ATOM 0 HB2 CYS A 116 -0.666 2.303 -2.402 1.00 0.25 H new ATOM 0 HB3 CYS A 116 -0.420 3.878 -1.674 1.00 0.25 H new ATOM 0 HG CYS A 116 -2.538 3.587 -0.183 1.00 0.37 H new ATOM 1834 N SER A 117 0.717 5.143 -4.327 1.00 0.24 N ATOM 1835 CA SER A 117 2.050 5.295 -4.869 1.00 0.24 C ATOM 1836 C SER A 117 3.026 5.584 -3.737 1.00 0.24 C ATOM 1837 O SER A 117 2.656 6.173 -2.731 1.00 0.25 O ATOM 1838 CB SER A 117 2.070 6.418 -5.902 1.00 0.29 C ATOM 1839 OG SER A 117 1.030 6.241 -6.851 1.00 0.63 O ATOM 0 H SER A 117 0.323 5.996 -3.930 1.00 0.24 H new ATOM 0 HA SER A 117 2.350 4.372 -5.365 1.00 0.24 H new ATOM 0 HB2 SER A 117 1.955 7.380 -5.403 1.00 0.29 H new ATOM 0 HB3 SER A 117 3.034 6.435 -6.410 1.00 0.29 H new ATOM 0 HG SER A 117 1.056 6.971 -7.505 1.00 0.63 H new ATOM 1845 N ILE A 118 4.256 5.162 -3.899 1.00 0.26 N ATOM 1846 CA ILE A 118 5.253 5.322 -2.861 1.00 0.28 C ATOM 1847 C ILE A 118 6.042 6.610 -3.080 1.00 0.34 C ATOM 1848 O ILE A 118 6.354 6.979 -4.215 1.00 0.36 O ATOM 1849 CB ILE A 118 6.202 4.099 -2.827 1.00 0.29 C ATOM 1850 CG1 ILE A 118 7.063 4.119 -1.569 1.00 0.29 C ATOM 1851 CG2 ILE A 118 7.085 4.048 -4.068 1.00 0.39 C ATOM 1852 CD1 ILE A 118 7.798 2.821 -1.314 1.00 0.31 C ATOM 0 H ILE A 118 4.595 4.702 -4.744 1.00 0.26 H new ATOM 0 HA ILE A 118 4.746 5.387 -1.898 1.00 0.28 H new ATOM 0 HB ILE A 118 5.583 3.202 -2.814 1.00 0.29 H new ATOM 0 HG12 ILE A 118 7.789 4.928 -1.649 1.00 0.29 H new ATOM 0 HG13 ILE A 118 6.430 4.343 -0.710 1.00 0.29 H new ATOM 0 HG21 ILE A 118 7.739 3.178 -4.013 1.00 0.39 H new ATOM 0 HG22 ILE A 118 6.459 3.976 -4.957 1.00 0.39 H new ATOM 0 HG23 ILE A 118 7.689 4.954 -4.122 1.00 0.39 H new ATOM 0 HD11 ILE A 118 8.389 2.911 -0.403 1.00 0.31 H new ATOM 0 HD12 ILE A 118 7.077 2.011 -1.201 1.00 0.31 H new ATOM 0 HD13 ILE A 118 8.457 2.605 -2.155 1.00 0.31 H new ATOM 1864 N GLU A 119 6.312 7.311 -1.987 1.00 0.41 N ATOM 1865 CA GLU A 119 6.985 8.597 -2.051 1.00 0.50 C ATOM 1866 C GLU A 119 8.487 8.416 -2.229 1.00 0.55 C ATOM 1867 O GLU A 119 9.123 7.628 -1.521 1.00 0.56 O ATOM 1868 CB GLU A 119 6.719 9.410 -0.784 1.00 0.60 C ATOM 1869 CG GLU A 119 5.250 9.711 -0.541 1.00 1.23 C ATOM 1870 CD GLU A 119 5.050 10.750 0.544 1.00 1.69 C ATOM 1871 OE1 GLU A 119 5.058 10.375 1.737 1.00 2.02 O ATOM 1872 OE2 GLU A 119 4.859 11.936 0.214 1.00 2.46 O ATOM 0 H GLU A 119 6.073 7.007 -1.043 1.00 0.41 H new ATOM 0 HA GLU A 119 6.588 9.135 -2.912 1.00 0.50 H new ATOM 0 HB2 GLU A 119 7.115 8.867 0.074 1.00 0.60 H new ATOM 0 HB3 GLU A 119 7.267 10.350 -0.846 1.00 0.60 H new ATOM 0 HG2 GLU A 119 4.795 10.063 -1.467 1.00 1.23 H new ATOM 0 HG3 GLU A 119 4.734 8.792 -0.261 1.00 1.23 H new ATOM 1879 N GLU A 120 9.046 9.167 -3.172 1.00 0.68 N ATOM 1880 CA GLU A 120 10.478 9.137 -3.451 1.00 0.84 C ATOM 1881 C GLU A 120 11.280 9.689 -2.278 1.00 0.98 C ATOM 1882 O GLU A 120 12.494 9.519 -2.214 1.00 1.08 O ATOM 1883 CB GLU A 120 10.780 9.929 -4.731 1.00 1.10 C ATOM 1884 CG GLU A 120 10.181 11.333 -4.762 1.00 1.26 C ATOM 1885 CD GLU A 120 10.990 12.360 -3.997 1.00 2.16 C ATOM 1886 OE1 GLU A 120 12.158 12.592 -4.361 1.00 2.36 O ATOM 1887 OE2 GLU A 120 10.445 12.962 -3.051 1.00 2.92 O ATOM 0 H GLU A 120 8.521 9.812 -3.763 1.00 0.68 H new ATOM 0 HA GLU A 120 10.777 8.099 -3.598 1.00 0.84 H new ATOM 0 HB2 GLU A 120 11.861 10.006 -4.849 1.00 1.10 H new ATOM 0 HB3 GLU A 120 10.405 9.368 -5.587 1.00 1.10 H new ATOM 0 HG2 GLU A 120 10.089 11.656 -5.799 1.00 1.26 H new ATOM 0 HG3 GLU A 120 9.173 11.297 -4.349 1.00 1.26 H new TER 1894 GLU A 120