USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 595 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 24 SER OG : rot 120:sc= 0.164 USER MOD Set 1.2: A 26 SER OG : rot 180:sc= 0.0438 USER MOD Single : A 1 CYS N :NH3+ -154:sc= 0.428 (180deg=0.181) USER MOD Single : A 1 CYS SG : rot 55:sc= -0.0416 USER MOD Single : A 2 SER OG : rot 9:sc= 0.977 USER MOD Single : A 3 ASN : amide:sc= -4.24! C(o=-4.2!,f=-9.7!) USER MOD Single : A 5 LYS NZ :NH3+ -167:sc= -1.57 (180deg=-1.79) USER MOD Single : A 10 HIS : no HD1:sc= 0.495 K(o=0.49,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0146) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -0.214 (180deg=-1.03) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -52:sc= -0.292 USER MOD Single : A 31 GLN : amide:sc= -0.583 K(o=-0.58,f=-4.1!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0785 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.27 K(o=-2.3,f=-4.1!) USER MOD Single : A 46 HIS : no HE2:sc= -0.115 K(o=-0.12,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.438 K(o=-0.44,f=-1.1) USER MOD Single : A 56 ASN : amide:sc= -1.61 K(o=-1.6,f=-3.5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 109:sc= 0.896 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.373 USER MOD Single : A 71 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 19.399 14.448 -1.113 1.00 0.00 N ATOM 2 CA CYS A 1 19.515 13.341 -0.121 1.00 0.00 C ATOM 3 C CYS A 1 18.450 13.512 0.964 1.00 0.00 C ATOM 4 O CYS A 1 18.754 13.606 2.137 1.00 0.00 O ATOM 5 CB CYS A 1 20.906 13.370 0.517 1.00 0.00 C ATOM 6 SG CYS A 1 21.200 14.994 1.259 1.00 0.00 S ATOM 0 H1 CYS A 1 19.773 14.132 -2.031 1.00 0.00 H new ATOM 0 H2 CYS A 1 18.400 14.715 -1.220 1.00 0.00 H new ATOM 0 H3 CYS A 1 19.943 15.270 -0.781 1.00 0.00 H new ATOM 0 HA CYS A 1 19.367 12.386 -0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 1 20.985 12.592 1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 1 21.666 13.160 -0.235 1.00 0.00 H new ATOM 0 HG CYS A 1 20.247 15.266 2.100 1.00 0.00 H new ATOM 14 N SER A 2 17.202 13.550 0.583 1.00 0.00 N ATOM 15 CA SER A 2 16.115 13.713 1.591 1.00 0.00 C ATOM 16 C SER A 2 15.761 12.346 2.185 1.00 0.00 C ATOM 17 O SER A 2 15.239 11.481 1.507 1.00 0.00 O ATOM 18 CB SER A 2 14.880 14.307 0.914 1.00 0.00 C ATOM 19 OG SER A 2 14.350 13.364 -0.008 1.00 0.00 O ATOM 0 H SER A 2 16.888 13.475 -0.384 1.00 0.00 H new ATOM 0 HA SER A 2 16.452 14.379 2.385 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.129 14.563 1.662 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.143 15.230 0.397 1.00 0.00 H new ATOM 0 HG SER A 2 14.805 12.504 0.106 1.00 0.00 H new ATOM 25 N ASN A 3 16.037 12.144 3.444 1.00 0.00 N ATOM 26 CA ASN A 3 15.715 10.833 4.076 1.00 0.00 C ATOM 27 C ASN A 3 14.219 10.769 4.392 1.00 0.00 C ATOM 28 O ASN A 3 13.542 11.776 4.456 1.00 0.00 O ATOM 29 CB ASN A 3 16.517 10.677 5.368 1.00 0.00 C ATOM 30 CG ASN A 3 16.421 9.230 5.855 1.00 0.00 C ATOM 31 OD1 ASN A 3 15.347 8.745 6.152 1.00 0.00 O ATOM 32 ND2 ASN A 3 17.507 8.512 5.946 1.00 0.00 N ATOM 0 H ASN A 3 16.471 12.829 4.062 1.00 0.00 H new ATOM 0 HA ASN A 3 15.974 10.028 3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 3 17.559 10.946 5.197 1.00 0.00 H new ATOM 0 HB3 ASN A 3 16.134 11.355 6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 3 17.454 7.545 6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 3 18.409 8.918 5.697 1.00 0.00 H new ATOM 39 N GLU A 4 13.697 9.589 4.594 1.00 0.00 N ATOM 40 CA GLU A 4 12.247 9.459 4.905 1.00 0.00 C ATOM 41 C GLU A 4 11.431 10.021 3.736 1.00 0.00 C ATOM 42 O GLU A 4 11.904 10.852 2.986 1.00 0.00 O ATOM 43 CB GLU A 4 11.931 10.240 6.193 1.00 0.00 C ATOM 44 CG GLU A 4 10.654 9.688 6.837 1.00 0.00 C ATOM 45 CD GLU A 4 10.958 8.338 7.488 1.00 0.00 C ATOM 46 OE1 GLU A 4 12.105 7.924 7.440 1.00 0.00 O ATOM 47 OE2 GLU A 4 10.037 7.738 8.022 1.00 0.00 O ATOM 0 H GLU A 4 14.213 8.710 4.557 1.00 0.00 H new ATOM 0 HA GLU A 4 11.989 8.410 5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.765 10.160 6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.806 11.299 5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.278 10.388 7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.874 9.574 6.085 1.00 0.00 H new ATOM 54 N LYS A 5 10.216 9.577 3.574 1.00 0.00 N ATOM 55 CA LYS A 5 9.380 10.090 2.452 1.00 0.00 C ATOM 56 C LYS A 5 10.172 10.022 1.144 1.00 0.00 C ATOM 57 O LYS A 5 9.868 10.707 0.188 1.00 0.00 O ATOM 58 CB LYS A 5 8.988 11.545 2.732 1.00 0.00 C ATOM 59 CG LYS A 5 8.120 11.614 4.000 1.00 0.00 C ATOM 60 CD LYS A 5 6.663 11.151 3.699 1.00 0.00 C ATOM 61 CE LYS A 5 6.251 10.034 4.666 1.00 0.00 C ATOM 62 NZ LYS A 5 7.200 8.891 4.535 1.00 0.00 N ATOM 0 H LYS A 5 9.766 8.882 4.169 1.00 0.00 H new ATOM 0 HA LYS A 5 8.482 9.478 2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.883 12.155 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.441 11.954 1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.553 10.985 4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.110 12.634 4.384 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.979 11.994 3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.592 10.796 2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.252 10.406 5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.235 9.705 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.807 8.057 5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.345 8.674 3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.110 9.144 4.969 1.00 0.00 H new ATOM 76 N ALA A 6 11.190 9.202 1.091 1.00 0.00 N ATOM 77 CA ALA A 6 12.005 9.093 -0.159 1.00 0.00 C ATOM 78 C ALA A 6 12.519 7.661 -0.319 1.00 0.00 C ATOM 79 O ALA A 6 13.543 7.424 -0.927 1.00 0.00 O ATOM 80 CB ALA A 6 13.197 10.050 -0.071 1.00 0.00 C ATOM 0 H ALA A 6 11.493 8.603 1.859 1.00 0.00 H new ATOM 0 HA ALA A 6 11.385 9.352 -1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.793 9.973 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.835 11.072 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.812 9.787 0.789 1.00 0.00 H new ATOM 86 N ARG A 7 11.816 6.702 0.226 1.00 0.00 N ATOM 87 CA ARG A 7 12.261 5.279 0.114 1.00 0.00 C ATOM 88 C ARG A 7 11.519 4.590 -1.040 1.00 0.00 C ATOM 89 O ARG A 7 11.837 4.759 -2.200 1.00 0.00 O ATOM 90 CB ARG A 7 11.939 4.534 1.427 1.00 0.00 C ATOM 91 CG ARG A 7 12.988 4.840 2.514 1.00 0.00 C ATOM 92 CD ARG A 7 12.682 6.192 3.204 1.00 0.00 C ATOM 93 NE ARG A 7 13.943 6.987 3.356 1.00 0.00 N ATOM 94 CZ ARG A 7 15.035 6.443 3.828 1.00 0.00 C ATOM 95 NH1 ARG A 7 15.022 5.218 4.274 1.00 0.00 N ATOM 96 NH2 ARG A 7 16.136 7.142 3.882 1.00 0.00 N ATOM 0 H ARG A 7 10.950 6.843 0.746 1.00 0.00 H new ATOM 0 HA ARG A 7 13.334 5.257 -0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.950 4.826 1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.907 3.461 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.995 4.041 3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.982 4.870 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.957 6.754 2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.232 6.017 4.182 1.00 0.00 H new ATOM 0 HE ARG A 7 13.950 7.971 3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.157 4.678 4.256 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.877 4.800 4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.143 8.109 3.557 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.990 6.721 4.249 1.00 0.00 H new ATOM 110 N ASP A 8 10.551 3.788 -0.704 1.00 0.00 N ATOM 111 CA ASP A 8 9.782 3.038 -1.729 1.00 0.00 C ATOM 112 C ASP A 8 8.824 3.952 -2.500 1.00 0.00 C ATOM 113 O ASP A 8 9.100 5.107 -2.757 1.00 0.00 O ATOM 114 CB ASP A 8 8.971 1.965 -1.012 1.00 0.00 C ATOM 115 CG ASP A 8 9.895 1.188 -0.072 1.00 0.00 C ATOM 116 OD1 ASP A 8 11.036 0.973 -0.445 1.00 0.00 O ATOM 117 OD2 ASP A 8 9.446 0.819 1.000 1.00 0.00 O ATOM 0 H ASP A 8 10.255 3.618 0.257 1.00 0.00 H new ATOM 0 HA ASP A 8 10.479 2.604 -2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.158 2.422 -0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.516 1.289 -1.737 1.00 0.00 H new ATOM 122 N TRP A 9 7.691 3.414 -2.851 1.00 0.00 N ATOM 123 CA TRP A 9 6.663 4.171 -3.610 1.00 0.00 C ATOM 124 C TRP A 9 6.118 5.292 -2.725 1.00 0.00 C ATOM 125 O TRP A 9 5.374 5.047 -1.798 1.00 0.00 O ATOM 126 CB TRP A 9 5.514 3.210 -3.945 1.00 0.00 C ATOM 127 CG TRP A 9 5.961 2.129 -4.899 1.00 0.00 C ATOM 128 CD1 TRP A 9 7.074 1.350 -4.774 1.00 0.00 C ATOM 129 CD2 TRP A 9 5.261 1.630 -6.075 1.00 0.00 C ATOM 130 NE1 TRP A 9 7.131 0.470 -5.841 1.00 0.00 N ATOM 131 CE2 TRP A 9 6.033 0.590 -6.662 1.00 0.00 C ATOM 132 CE3 TRP A 9 4.051 1.994 -6.700 1.00 0.00 C ATOM 133 CZ2 TRP A 9 5.614 -0.067 -7.828 1.00 0.00 C ATOM 134 CZ3 TRP A 9 3.620 1.332 -7.869 1.00 0.00 C ATOM 135 CH2 TRP A 9 4.403 0.304 -8.432 1.00 0.00 C ATOM 0 H TRP A 9 7.429 2.452 -2.636 1.00 0.00 H new ATOM 0 HA TRP A 9 7.094 4.591 -4.519 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.138 2.756 -3.028 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.688 3.768 -4.386 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.795 1.410 -3.972 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.894 -0.188 -6.000 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.449 2.786 -6.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.218 -0.852 -8.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 2.687 1.614 -8.334 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.071 -0.198 -9.329 1.00 0.00 H new ATOM 146 N HIS A 10 6.471 6.519 -3.007 1.00 0.00 N ATOM 147 CA HIS A 10 5.958 7.654 -2.181 1.00 0.00 C ATOM 148 C HIS A 10 4.455 7.467 -1.945 1.00 0.00 C ATOM 149 O HIS A 10 3.805 6.703 -2.631 1.00 0.00 O ATOM 150 CB HIS A 10 6.200 8.974 -2.918 1.00 0.00 C ATOM 151 CG HIS A 10 7.670 9.128 -3.203 1.00 0.00 C ATOM 152 ND1 HIS A 10 8.290 8.478 -4.259 1.00 0.00 N ATOM 153 CD2 HIS A 10 8.652 9.854 -2.579 1.00 0.00 C ATOM 154 CE1 HIS A 10 9.591 8.822 -4.238 1.00 0.00 C ATOM 155 NE2 HIS A 10 9.865 9.659 -3.233 1.00 0.00 N ATOM 0 H HIS A 10 7.091 6.785 -3.772 1.00 0.00 H new ATOM 0 HA HIS A 10 6.479 7.675 -1.224 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.634 8.992 -3.850 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.846 9.810 -2.314 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.506 10.481 -1.712 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.324 8.465 -4.947 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.769 10.067 -2.996 1.00 0.00 H new ATOM 163 N ARG A 11 3.900 8.142 -0.979 1.00 0.00 N ATOM 164 CA ARG A 11 2.443 7.981 -0.700 1.00 0.00 C ATOM 165 C ARG A 11 1.628 8.231 -1.973 1.00 0.00 C ATOM 166 O ARG A 11 0.530 7.730 -2.126 1.00 0.00 O ATOM 167 CB ARG A 11 2.020 8.976 0.379 1.00 0.00 C ATOM 168 CG ARG A 11 2.768 8.666 1.677 1.00 0.00 C ATOM 169 CD ARG A 11 2.103 9.405 2.837 1.00 0.00 C ATOM 170 NE ARG A 11 0.780 8.784 3.121 1.00 0.00 N ATOM 171 CZ ARG A 11 0.165 9.045 4.241 1.00 0.00 C ATOM 172 NH1 ARG A 11 0.708 9.851 5.110 1.00 0.00 N ATOM 173 NH2 ARG A 11 -0.993 8.499 4.491 1.00 0.00 N ATOM 0 H ARG A 11 4.390 8.798 -0.370 1.00 0.00 H new ATOM 0 HA ARG A 11 2.258 6.963 -0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.237 9.994 0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.944 8.916 0.543 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.762 7.592 1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.811 8.969 1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.736 9.360 3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.977 10.459 2.588 1.00 0.00 H new ATOM 0 HE ARG A 11 0.355 8.155 2.440 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.614 10.277 4.914 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.227 10.055 5.986 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.417 7.868 3.811 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.474 8.703 5.367 1.00 0.00 H new ATOM 187 N ALA A 12 2.145 9.010 -2.884 1.00 0.00 N ATOM 188 CA ALA A 12 1.389 9.285 -4.142 1.00 0.00 C ATOM 189 C ALA A 12 1.739 8.224 -5.183 1.00 0.00 C ATOM 190 O ALA A 12 0.945 7.904 -6.039 1.00 0.00 O ATOM 191 CB ALA A 12 1.758 10.665 -4.676 1.00 0.00 C ATOM 0 H ALA A 12 3.054 9.467 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 12 0.319 9.257 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.203 10.860 -5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.507 11.422 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.827 10.701 -4.884 1.00 0.00 H new ATOM 197 N ASP A 13 2.913 7.661 -5.113 1.00 0.00 N ATOM 198 CA ASP A 13 3.270 6.612 -6.103 1.00 0.00 C ATOM 199 C ASP A 13 2.394 5.400 -5.824 1.00 0.00 C ATOM 200 O ASP A 13 2.124 4.596 -6.692 1.00 0.00 O ATOM 201 CB ASP A 13 4.747 6.234 -5.960 1.00 0.00 C ATOM 202 CG ASP A 13 5.619 7.339 -6.561 1.00 0.00 C ATOM 203 OD1 ASP A 13 5.150 8.462 -6.635 1.00 0.00 O ATOM 204 OD2 ASP A 13 6.740 7.042 -6.939 1.00 0.00 O ATOM 0 H ASP A 13 3.631 7.879 -4.422 1.00 0.00 H new ATOM 0 HA ASP A 13 3.110 6.975 -7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.996 6.091 -4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.941 5.288 -6.465 1.00 0.00 H new ATOM 209 N VAL A 14 1.928 5.285 -4.612 1.00 0.00 N ATOM 210 CA VAL A 14 1.051 4.145 -4.247 1.00 0.00 C ATOM 211 C VAL A 14 -0.354 4.386 -4.809 1.00 0.00 C ATOM 212 O VAL A 14 -0.863 3.599 -5.581 1.00 0.00 O ATOM 213 CB VAL A 14 0.975 4.047 -2.719 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.109 3.044 -2.313 1.00 0.00 C ATOM 215 CG2 VAL A 14 2.329 3.590 -2.168 1.00 0.00 C ATOM 0 H VAL A 14 2.121 5.940 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 14 1.454 3.220 -4.659 1.00 0.00 H new ATOM 0 HB VAL A 14 0.726 5.026 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.157 2.980 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.073 3.374 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.130 2.063 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.275 3.520 -1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.580 2.613 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.098 4.311 -2.448 1.00 0.00 H new ATOM 225 N ILE A 15 -0.988 5.462 -4.420 1.00 0.00 N ATOM 226 CA ILE A 15 -2.369 5.730 -4.924 1.00 0.00 C ATOM 227 C ILE A 15 -2.321 6.184 -6.385 1.00 0.00 C ATOM 228 O ILE A 15 -3.083 5.725 -7.201 1.00 0.00 O ATOM 229 CB ILE A 15 -3.044 6.821 -4.083 1.00 0.00 C ATOM 230 CG1 ILE A 15 -2.908 6.504 -2.569 1.00 0.00 C ATOM 231 CG2 ILE A 15 -4.530 6.885 -4.465 1.00 0.00 C ATOM 232 CD1 ILE A 15 -2.805 7.804 -1.770 1.00 0.00 C ATOM 0 H ILE A 15 -0.613 6.162 -3.780 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.943 4.807 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.562 7.779 -4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.769 5.927 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.024 5.890 -2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.024 7.657 -3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.623 7.123 -5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.998 5.921 -4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.710 7.572 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.930 8.365 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.701 8.403 -1.932 1.00 0.00 H new ATOM 244 N ALA A 16 -1.445 7.087 -6.731 1.00 0.00 N ATOM 245 CA ALA A 16 -1.392 7.536 -8.152 1.00 0.00 C ATOM 246 C ALA A 16 -1.207 6.311 -9.050 1.00 0.00 C ATOM 247 O ALA A 16 -1.852 6.169 -10.071 1.00 0.00 O ATOM 248 CB ALA A 16 -0.227 8.506 -8.356 1.00 0.00 C ATOM 0 H ALA A 16 -0.773 7.528 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.320 8.048 -8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.199 8.827 -9.397 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.360 9.375 -7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.709 8.008 -8.104 1.00 0.00 H new ATOM 254 N GLY A 17 -0.330 5.423 -8.669 1.00 0.00 N ATOM 255 CA GLY A 17 -0.090 4.200 -9.486 1.00 0.00 C ATOM 256 C GLY A 17 -1.340 3.319 -9.480 1.00 0.00 C ATOM 257 O GLY A 17 -1.823 2.901 -10.514 1.00 0.00 O ATOM 0 H GLY A 17 0.234 5.493 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.165 4.479 -10.509 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.759 3.645 -9.086 1.00 0.00 H new ATOM 261 N LEU A 18 -1.865 3.031 -8.325 1.00 0.00 N ATOM 262 CA LEU A 18 -3.082 2.175 -8.248 1.00 0.00 C ATOM 263 C LEU A 18 -4.245 2.897 -8.936 1.00 0.00 C ATOM 264 O LEU A 18 -4.870 2.377 -9.838 1.00 0.00 O ATOM 265 CB LEU A 18 -3.428 1.936 -6.769 1.00 0.00 C ATOM 266 CG LEU A 18 -2.405 0.980 -6.123 1.00 0.00 C ATOM 267 CD1 LEU A 18 -2.411 1.162 -4.601 1.00 0.00 C ATOM 268 CD2 LEU A 18 -2.785 -0.476 -6.428 1.00 0.00 C ATOM 0 H LEU A 18 -1.504 3.352 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.903 1.220 -8.742 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.436 2.885 -6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.430 1.515 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.418 1.206 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.686 0.484 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.146 2.191 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.405 0.941 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.058 -1.146 -5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.776 -0.685 -6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.791 -0.632 -7.507 1.00 0.00 H new ATOM 280 N LYS A 19 -4.532 4.093 -8.510 1.00 0.00 N ATOM 281 CA LYS A 19 -5.649 4.871 -9.120 1.00 0.00 C ATOM 282 C LYS A 19 -5.425 5.001 -10.629 1.00 0.00 C ATOM 283 O LYS A 19 -6.307 5.402 -11.363 1.00 0.00 O ATOM 284 CB LYS A 19 -5.684 6.267 -8.492 1.00 0.00 C ATOM 285 CG LYS A 19 -6.988 6.982 -8.873 1.00 0.00 C ATOM 286 CD LYS A 19 -7.052 8.364 -8.190 1.00 0.00 C ATOM 287 CE LYS A 19 -6.344 9.415 -9.055 1.00 0.00 C ATOM 288 NZ LYS A 19 -7.256 9.846 -10.152 1.00 0.00 N ATOM 0 H LYS A 19 -4.037 4.572 -7.758 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.593 4.357 -8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.606 6.189 -7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.828 6.849 -8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.045 7.099 -9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.844 6.379 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.091 8.652 -8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.582 8.315 -7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.059 10.273 -8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.426 9.001 -9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.693 10.185 -10.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.842 9.041 -10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.870 10.613 -9.812 1.00 0.00 H new ATOM 302 N LYS A 20 -4.257 4.670 -11.102 1.00 0.00 N ATOM 303 CA LYS A 20 -3.999 4.787 -12.564 1.00 0.00 C ATOM 304 C LYS A 20 -5.084 4.032 -13.312 1.00 0.00 C ATOM 305 O LYS A 20 -5.452 4.376 -14.418 1.00 0.00 O ATOM 306 CB LYS A 20 -2.622 4.212 -12.908 1.00 0.00 C ATOM 307 CG LYS A 20 -2.211 4.677 -14.308 1.00 0.00 C ATOM 308 CD LYS A 20 -0.919 3.966 -14.730 1.00 0.00 C ATOM 309 CE LYS A 20 -0.247 4.743 -15.874 1.00 0.00 C ATOM 310 NZ LYS A 20 -1.288 5.423 -16.697 1.00 0.00 N ATOM 0 H LYS A 20 -3.475 4.326 -10.545 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.012 5.837 -12.856 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.886 4.539 -12.174 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.650 3.123 -12.868 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.006 4.461 -15.022 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.062 5.757 -14.314 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.240 3.892 -13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.141 2.948 -15.051 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.448 5.478 -15.468 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.335 4.063 -16.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.890 5.670 -17.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.099 4.785 -16.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.602 6.289 -16.214 1.00 0.00 H new ATOM 324 N ARG A 21 -5.632 3.029 -12.694 1.00 0.00 N ATOM 325 CA ARG A 21 -6.736 2.269 -13.324 1.00 0.00 C ATOM 326 C ARG A 21 -8.014 2.835 -12.730 1.00 0.00 C ATOM 327 O ARG A 21 -8.545 3.827 -13.188 1.00 0.00 O ATOM 328 CB ARG A 21 -6.625 0.781 -12.959 1.00 0.00 C ATOM 329 CG ARG A 21 -5.505 0.095 -13.771 1.00 0.00 C ATOM 330 CD ARG A 21 -4.143 0.273 -13.075 1.00 0.00 C ATOM 331 NE ARG A 21 -3.072 0.408 -14.113 1.00 0.00 N ATOM 332 CZ ARG A 21 -2.975 -0.450 -15.094 1.00 0.00 C ATOM 333 NH1 ARG A 21 -3.679 -1.550 -15.083 1.00 0.00 N ATOM 334 NH2 ARG A 21 -2.129 -0.234 -16.062 1.00 0.00 N ATOM 0 H ARG A 21 -5.358 2.701 -11.768 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.711 2.354 -14.410 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.422 0.678 -11.893 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.576 0.284 -13.151 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.727 -0.966 -13.882 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.465 0.518 -14.775 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.160 1.156 -12.437 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.936 -0.582 -12.431 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.409 1.181 -14.053 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.310 -1.744 -14.305 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.598 -2.215 -15.852 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.545 0.603 -16.052 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.051 -0.902 -16.829 1.00 0.00 H new ATOM 348 N LYS A 22 -8.491 2.228 -11.687 1.00 0.00 N ATOM 349 CA LYS A 22 -9.709 2.743 -11.007 1.00 0.00 C ATOM 350 C LYS A 22 -9.668 2.289 -9.545 1.00 0.00 C ATOM 351 O LYS A 22 -10.522 1.548 -9.101 1.00 0.00 O ATOM 352 CB LYS A 22 -10.969 2.190 -11.680 1.00 0.00 C ATOM 353 CG LYS A 22 -11.181 2.861 -13.040 1.00 0.00 C ATOM 354 CD LYS A 22 -12.588 2.536 -13.550 1.00 0.00 C ATOM 355 CE LYS A 22 -12.746 3.042 -14.985 1.00 0.00 C ATOM 356 NZ LYS A 22 -14.154 2.836 -15.433 1.00 0.00 N ATOM 0 H LYS A 22 -8.087 1.389 -11.271 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.734 3.831 -11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.878 1.112 -11.809 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.836 2.362 -11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.054 3.940 -12.950 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.434 2.511 -13.752 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.759 1.460 -13.513 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.335 3.000 -12.906 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.487 4.099 -15.040 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.061 2.511 -15.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.262 3.180 -16.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.386 1.823 -15.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.798 3.362 -14.808 1.00 0.00 H new ATOM 370 N LEU A 23 -8.670 2.703 -8.803 1.00 0.00 N ATOM 371 CA LEU A 23 -8.549 2.269 -7.372 1.00 0.00 C ATOM 372 C LEU A 23 -8.391 3.479 -6.446 1.00 0.00 C ATOM 373 O LEU A 23 -7.822 4.490 -6.804 1.00 0.00 O ATOM 374 CB LEU A 23 -7.298 1.409 -7.218 1.00 0.00 C ATOM 375 CG LEU A 23 -7.383 0.129 -8.060 1.00 0.00 C ATOM 376 CD1 LEU A 23 -6.103 -0.682 -7.836 1.00 0.00 C ATOM 377 CD2 LEU A 23 -8.605 -0.708 -7.645 1.00 0.00 C ATOM 0 H LEU A 23 -7.930 3.326 -9.127 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.451 1.717 -7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.422 1.984 -7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.164 1.146 -6.169 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.488 0.390 -9.113 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.144 -1.597 -8.427 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.240 -0.091 -8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.013 -0.936 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.650 -1.612 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.519 -0.981 -6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.513 -0.125 -7.795 1.00 0.00 H new ATOM 389 N SER A 24 -8.879 3.357 -5.238 1.00 0.00 N ATOM 390 CA SER A 24 -8.755 4.463 -4.246 1.00 0.00 C ATOM 391 C SER A 24 -8.722 3.854 -2.839 1.00 0.00 C ATOM 392 O SER A 24 -9.567 3.050 -2.500 1.00 0.00 O ATOM 393 CB SER A 24 -9.960 5.396 -4.368 1.00 0.00 C ATOM 394 OG SER A 24 -11.148 4.619 -4.471 1.00 0.00 O ATOM 0 H SER A 24 -9.363 2.528 -4.895 1.00 0.00 H new ATOM 0 HA SER A 24 -7.843 5.030 -4.431 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.015 6.053 -3.500 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.852 6.035 -5.245 1.00 0.00 H new ATOM 0 HG SER A 24 -11.743 4.830 -3.721 1.00 0.00 H new ATOM 400 N LEU A 25 -7.762 4.211 -2.012 1.00 0.00 N ATOM 401 CA LEU A 25 -7.722 3.618 -0.633 1.00 0.00 C ATOM 402 C LEU A 25 -9.123 3.668 -0.018 1.00 0.00 C ATOM 403 O LEU A 25 -9.416 2.995 0.949 1.00 0.00 O ATOM 404 CB LEU A 25 -6.755 4.397 0.270 1.00 0.00 C ATOM 405 CG LEU A 25 -5.330 4.360 -0.307 1.00 0.00 C ATOM 406 CD1 LEU A 25 -4.517 5.526 0.270 1.00 0.00 C ATOM 407 CD2 LEU A 25 -4.643 3.036 0.066 1.00 0.00 C ATOM 0 H LEU A 25 -7.018 4.875 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.378 2.587 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.089 5.430 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.759 3.968 1.272 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.385 4.444 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.506 5.502 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.994 6.469 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.473 5.437 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.635 3.020 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.592 2.946 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.215 2.202 -0.341 1.00 0.00 H new ATOM 419 N SER A 26 -9.998 4.458 -0.574 1.00 0.00 N ATOM 420 CA SER A 26 -11.376 4.536 -0.025 1.00 0.00 C ATOM 421 C SER A 26 -12.176 3.331 -0.522 1.00 0.00 C ATOM 422 O SER A 26 -12.960 2.751 0.203 1.00 0.00 O ATOM 423 CB SER A 26 -12.047 5.826 -0.501 1.00 0.00 C ATOM 424 OG SER A 26 -12.464 5.667 -1.849 1.00 0.00 O ATOM 0 H SER A 26 -9.817 5.052 -1.384 1.00 0.00 H new ATOM 0 HA SER A 26 -11.339 4.533 1.064 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.903 6.059 0.132 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.353 6.662 -0.419 1.00 0.00 H new ATOM 0 HG SER A 26 -12.896 6.491 -2.157 1.00 0.00 H new ATOM 430 N ALA A 27 -11.979 2.949 -1.755 1.00 0.00 N ATOM 431 CA ALA A 27 -12.724 1.780 -2.309 1.00 0.00 C ATOM 432 C ALA A 27 -11.994 0.484 -1.943 1.00 0.00 C ATOM 433 O ALA A 27 -12.607 -0.521 -1.651 1.00 0.00 O ATOM 434 CB ALA A 27 -12.803 1.906 -3.833 1.00 0.00 C ATOM 0 H ALA A 27 -11.333 3.397 -2.405 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.730 1.759 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.347 1.054 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.323 2.827 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.796 1.927 -4.249 1.00 0.00 H new ATOM 440 N LEU A 28 -10.691 0.500 -1.950 1.00 0.00 N ATOM 441 CA LEU A 28 -9.931 -0.731 -1.601 1.00 0.00 C ATOM 442 C LEU A 28 -10.287 -1.154 -0.177 1.00 0.00 C ATOM 443 O LEU A 28 -10.500 -2.318 0.102 1.00 0.00 O ATOM 444 CB LEU A 28 -8.433 -0.435 -1.666 1.00 0.00 C ATOM 445 CG LEU A 28 -7.992 -0.156 -3.114 1.00 0.00 C ATOM 446 CD1 LEU A 28 -6.611 0.513 -3.096 1.00 0.00 C ATOM 447 CD2 LEU A 28 -7.911 -1.467 -3.913 1.00 0.00 C ATOM 0 H LEU A 28 -10.120 1.312 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.184 -1.527 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.200 0.425 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.873 -1.281 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.722 0.500 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.291 0.714 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.668 1.450 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.892 -0.150 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.598 -1.252 -4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.188 -2.134 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.890 -1.946 -3.927 1.00 0.00 H new ATOM 459 N SER A 29 -10.352 -0.218 0.726 1.00 0.00 N ATOM 460 CA SER A 29 -10.688 -0.561 2.137 1.00 0.00 C ATOM 461 C SER A 29 -12.146 -1.025 2.224 1.00 0.00 C ATOM 462 O SER A 29 -12.465 -2.005 2.869 1.00 0.00 O ATOM 463 CB SER A 29 -10.500 0.681 3.009 1.00 0.00 C ATOM 464 OG SER A 29 -10.447 0.293 4.376 1.00 0.00 O ATOM 0 H SER A 29 -10.187 0.773 0.549 1.00 0.00 H new ATOM 0 HA SER A 29 -10.035 -1.362 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.582 1.199 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.322 1.379 2.849 1.00 0.00 H new ATOM 0 HG SER A 29 -11.225 -0.263 4.589 1.00 0.00 H new ATOM 470 N ARG A 30 -13.035 -0.306 1.592 1.00 0.00 N ATOM 471 CA ARG A 30 -14.478 -0.674 1.635 1.00 0.00 C ATOM 472 C ARG A 30 -14.740 -1.950 0.815 1.00 0.00 C ATOM 473 O ARG A 30 -15.692 -2.665 1.059 1.00 0.00 O ATOM 474 CB ARG A 30 -15.304 0.511 1.088 1.00 0.00 C ATOM 475 CG ARG A 30 -16.667 0.032 0.544 1.00 0.00 C ATOM 476 CD ARG A 30 -17.677 1.197 0.529 1.00 0.00 C ATOM 477 NE ARG A 30 -18.406 1.264 1.844 1.00 0.00 N ATOM 478 CZ ARG A 30 -19.119 0.262 2.289 1.00 0.00 C ATOM 479 NH1 ARG A 30 -19.323 -0.789 1.543 1.00 0.00 N ATOM 480 NH2 ARG A 30 -19.661 0.330 3.475 1.00 0.00 N ATOM 0 H ARG A 30 -12.820 0.527 1.044 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.774 -0.882 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.462 1.245 1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.748 1.011 0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -16.545 -0.365 -0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -17.048 -0.780 1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.157 2.137 0.344 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -18.390 1.061 -0.285 1.00 0.00 H new ATOM 0 HE ARG A 30 -18.342 2.114 2.404 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.925 -0.834 0.605 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -19.880 -1.566 1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -19.527 1.162 4.050 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -20.218 -0.449 3.827 1.00 0.00 H new ATOM 494 N GLN A 31 -13.929 -2.239 -0.162 1.00 0.00 N ATOM 495 CA GLN A 31 -14.180 -3.456 -0.985 1.00 0.00 C ATOM 496 C GLN A 31 -14.019 -4.718 -0.127 1.00 0.00 C ATOM 497 O GLN A 31 -14.535 -5.765 -0.461 1.00 0.00 O ATOM 498 CB GLN A 31 -13.196 -3.483 -2.165 1.00 0.00 C ATOM 499 CG GLN A 31 -13.748 -2.634 -3.320 1.00 0.00 C ATOM 500 CD GLN A 31 -12.621 -2.308 -4.304 1.00 0.00 C ATOM 501 OE1 GLN A 31 -11.460 -2.491 -3.997 1.00 0.00 O ATOM 502 NE2 GLN A 31 -12.916 -1.827 -5.482 1.00 0.00 N ATOM 0 H GLN A 31 -13.110 -1.692 -0.426 1.00 0.00 H new ATOM 0 HA GLN A 31 -15.200 -3.430 -1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.226 -3.099 -1.850 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.040 -4.509 -2.498 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.546 -3.173 -3.831 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.183 -1.713 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.891 -1.673 -5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.172 -1.605 -6.143 1.00 0.00 H new ATOM 511 N PHE A 32 -13.312 -4.629 0.975 1.00 0.00 N ATOM 512 CA PHE A 32 -13.119 -5.826 1.860 1.00 0.00 C ATOM 513 C PHE A 32 -13.917 -5.644 3.155 1.00 0.00 C ATOM 514 O PHE A 32 -14.377 -6.604 3.742 1.00 0.00 O ATOM 515 CB PHE A 32 -11.625 -5.993 2.172 1.00 0.00 C ATOM 516 CG PHE A 32 -10.943 -6.622 0.977 1.00 0.00 C ATOM 517 CD1 PHE A 32 -10.448 -5.810 -0.062 1.00 0.00 C ATOM 518 CD2 PHE A 32 -10.831 -8.022 0.890 1.00 0.00 C ATOM 519 CE1 PHE A 32 -9.840 -6.400 -1.188 1.00 0.00 C ATOM 520 CE2 PHE A 32 -10.219 -8.612 -0.232 1.00 0.00 C ATOM 521 CZ PHE A 32 -9.726 -7.802 -1.272 1.00 0.00 C ATOM 0 H PHE A 32 -12.858 -3.776 1.302 1.00 0.00 H new ATOM 0 HA PHE A 32 -13.478 -6.721 1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.176 -5.025 2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.492 -6.618 3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.534 -4.736 0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.215 -8.644 1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.462 -5.778 -1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.128 -9.686 -0.295 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.260 -8.255 -2.135 1.00 0.00 H new ATOM 531 N GLY A 33 -14.101 -4.420 3.598 1.00 0.00 N ATOM 532 CA GLY A 33 -14.892 -4.172 4.849 1.00 0.00 C ATOM 533 C GLY A 33 -14.120 -3.257 5.800 1.00 0.00 C ATOM 534 O GLY A 33 -14.651 -2.283 6.295 1.00 0.00 O ATOM 0 H GLY A 33 -13.737 -3.581 3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.850 -3.718 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.109 -5.119 5.343 1.00 0.00 H new ATOM 538 N TYR A 34 -12.879 -3.567 6.074 1.00 0.00 N ATOM 539 CA TYR A 34 -12.084 -2.718 7.015 1.00 0.00 C ATOM 540 C TYR A 34 -12.329 -1.233 6.724 1.00 0.00 C ATOM 541 O TYR A 34 -12.163 -0.769 5.614 1.00 0.00 O ATOM 542 CB TYR A 34 -10.593 -3.031 6.869 1.00 0.00 C ATOM 543 CG TYR A 34 -10.387 -4.532 6.839 1.00 0.00 C ATOM 544 CD1 TYR A 34 -10.910 -5.345 7.868 1.00 0.00 C ATOM 545 CD2 TYR A 34 -9.677 -5.121 5.775 1.00 0.00 C ATOM 546 CE1 TYR A 34 -10.719 -6.740 7.831 1.00 0.00 C ATOM 547 CE2 TYR A 34 -9.491 -6.513 5.739 1.00 0.00 C ATOM 548 CZ TYR A 34 -10.011 -7.324 6.766 1.00 0.00 C ATOM 549 OH TYR A 34 -9.829 -8.692 6.726 1.00 0.00 O ATOM 0 H TYR A 34 -12.381 -4.370 5.688 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.400 -2.937 8.035 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.205 -2.583 5.954 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.037 -2.594 7.699 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.457 -4.897 8.684 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.275 -4.502 4.986 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.116 -7.361 8.620 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.947 -6.963 4.921 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.320 -8.931 5.923 1.00 0.00 H new ATOM 559 N ALA A 35 -12.747 -0.494 7.717 1.00 0.00 N ATOM 560 CA ALA A 35 -13.023 0.957 7.509 1.00 0.00 C ATOM 561 C ALA A 35 -11.838 1.598 6.753 1.00 0.00 C ATOM 562 O ALA A 35 -10.772 1.019 6.693 1.00 0.00 O ATOM 563 CB ALA A 35 -13.226 1.633 8.887 1.00 0.00 C ATOM 0 H ALA A 35 -12.909 -0.834 8.665 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.927 1.090 6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.428 2.695 8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.068 1.168 9.400 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.324 1.513 9.488 1.00 0.00 H new ATOM 569 N PRO A 36 -12.051 2.781 6.201 1.00 0.00 N ATOM 570 CA PRO A 36 -10.987 3.489 5.456 1.00 0.00 C ATOM 571 C PRO A 36 -9.778 3.766 6.369 1.00 0.00 C ATOM 572 O PRO A 36 -8.647 3.774 5.927 1.00 0.00 O ATOM 573 CB PRO A 36 -11.644 4.809 4.980 1.00 0.00 C ATOM 574 CG PRO A 36 -13.089 4.848 5.557 1.00 0.00 C ATOM 575 CD PRO A 36 -13.345 3.499 6.267 1.00 0.00 C ATOM 0 HA PRO A 36 -10.607 2.903 4.619 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.070 5.669 5.325 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.665 4.856 3.891 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.200 5.676 6.257 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.816 5.005 4.760 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.661 3.650 7.299 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.135 2.935 5.771 1.00 0.00 H new ATOM 583 N THR A 37 -10.011 4.010 7.634 1.00 0.00 N ATOM 584 CA THR A 37 -8.873 4.301 8.557 1.00 0.00 C ATOM 585 C THR A 37 -7.905 3.115 8.588 1.00 0.00 C ATOM 586 O THR A 37 -6.704 3.282 8.525 1.00 0.00 O ATOM 587 CB THR A 37 -9.407 4.556 9.969 1.00 0.00 C ATOM 588 OG1 THR A 37 -10.093 3.401 10.434 1.00 0.00 O ATOM 589 CG2 THR A 37 -10.367 5.747 9.948 1.00 0.00 C ATOM 0 H THR A 37 -10.935 4.020 8.065 1.00 0.00 H new ATOM 0 HA THR A 37 -8.346 5.185 8.199 1.00 0.00 H new ATOM 0 HB THR A 37 -8.573 4.776 10.636 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.433 3.564 11.338 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.746 5.927 10.954 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.840 6.633 9.595 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.200 5.531 9.280 1.00 0.00 H new ATOM 597 N THR A 38 -8.415 1.920 8.684 1.00 0.00 N ATOM 598 CA THR A 38 -7.517 0.732 8.724 1.00 0.00 C ATOM 599 C THR A 38 -6.581 0.756 7.511 1.00 0.00 C ATOM 600 O THR A 38 -5.378 0.871 7.644 1.00 0.00 O ATOM 601 CB THR A 38 -8.369 -0.549 8.702 1.00 0.00 C ATOM 602 OG1 THR A 38 -8.960 -0.738 9.980 1.00 0.00 O ATOM 603 CG2 THR A 38 -7.503 -1.770 8.359 1.00 0.00 C ATOM 0 H THR A 38 -9.413 1.714 8.736 1.00 0.00 H new ATOM 0 HA THR A 38 -6.920 0.753 9.636 1.00 0.00 H new ATOM 0 HB THR A 38 -9.142 -0.444 7.941 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.505 -1.552 9.971 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.124 -2.665 8.349 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.051 -1.631 7.377 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.719 -1.881 9.107 1.00 0.00 H new ATOM 611 N LEU A 39 -7.122 0.631 6.332 1.00 0.00 N ATOM 612 CA LEU A 39 -6.265 0.629 5.115 1.00 0.00 C ATOM 613 C LEU A 39 -5.319 1.830 5.142 1.00 0.00 C ATOM 614 O LEU A 39 -4.130 1.698 4.936 1.00 0.00 O ATOM 615 CB LEU A 39 -7.149 0.697 3.868 1.00 0.00 C ATOM 616 CG LEU A 39 -6.310 0.402 2.616 1.00 0.00 C ATOM 617 CD1 LEU A 39 -5.812 -1.061 2.623 1.00 0.00 C ATOM 618 CD2 LEU A 39 -7.164 0.651 1.374 1.00 0.00 C ATOM 0 H LEU A 39 -8.122 0.530 6.159 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.675 -0.287 5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.963 -0.023 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.604 1.684 3.787 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.440 1.059 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.220 -1.248 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.197 -1.232 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.667 -1.736 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.575 0.444 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.035 -0.003 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.491 1.691 1.360 1.00 0.00 H new ATOM 630 N ALA A 40 -5.831 3.002 5.384 1.00 0.00 N ATOM 631 CA ALA A 40 -4.948 4.200 5.418 1.00 0.00 C ATOM 632 C ALA A 40 -3.813 3.964 6.418 1.00 0.00 C ATOM 633 O ALA A 40 -2.656 3.890 6.056 1.00 0.00 O ATOM 634 CB ALA A 40 -5.760 5.421 5.853 1.00 0.00 C ATOM 0 H ALA A 40 -6.819 3.183 5.559 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.533 4.374 4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.113 6.298 5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.572 5.589 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.174 5.247 6.846 1.00 0.00 H new ATOM 640 N ASN A 41 -4.146 3.852 7.674 1.00 0.00 N ATOM 641 CA ASN A 41 -3.104 3.630 8.720 1.00 0.00 C ATOM 642 C ASN A 41 -2.294 2.364 8.413 1.00 0.00 C ATOM 643 O ASN A 41 -1.321 2.069 9.079 1.00 0.00 O ATOM 644 CB ASN A 41 -3.782 3.482 10.086 1.00 0.00 C ATOM 645 CG ASN A 41 -2.720 3.405 11.187 1.00 0.00 C ATOM 646 OD1 ASN A 41 -2.946 2.811 12.221 1.00 0.00 O ATOM 647 ND2 ASN A 41 -1.565 3.989 11.012 1.00 0.00 N ATOM 0 H ASN A 41 -5.102 3.905 8.025 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.427 4.484 8.730 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.445 4.328 10.266 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.400 2.584 10.100 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.855 3.945 11.743 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.373 4.489 10.144 1.00 0.00 H new ATOM 654 N ALA A 42 -2.687 1.601 7.428 1.00 0.00 N ATOM 655 CA ALA A 42 -1.930 0.355 7.109 1.00 0.00 C ATOM 656 C ALA A 42 -0.587 0.712 6.463 1.00 0.00 C ATOM 657 O ALA A 42 0.184 -0.154 6.098 1.00 0.00 O ATOM 658 CB ALA A 42 -2.748 -0.517 6.149 1.00 0.00 C ATOM 0 H ALA A 42 -3.495 1.785 6.833 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.748 -0.197 8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.191 -1.426 5.919 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.697 -0.781 6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.938 0.035 5.229 1.00 0.00 H new ATOM 664 N LEU A 43 -0.305 1.977 6.310 1.00 0.00 N ATOM 665 CA LEU A 43 0.988 2.386 5.686 1.00 0.00 C ATOM 666 C LEU A 43 2.092 2.438 6.749 1.00 0.00 C ATOM 667 O LEU A 43 3.264 2.410 6.428 1.00 0.00 O ATOM 668 CB LEU A 43 0.841 3.777 5.063 1.00 0.00 C ATOM 669 CG LEU A 43 -0.273 3.773 4.006 1.00 0.00 C ATOM 670 CD1 LEU A 43 -0.683 5.215 3.703 1.00 0.00 C ATOM 671 CD2 LEU A 43 0.220 3.110 2.711 1.00 0.00 C ATOM 0 H LEU A 43 -0.914 2.746 6.590 1.00 0.00 H new ATOM 0 HA LEU A 43 1.252 1.658 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.613 4.508 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.783 4.080 4.607 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.124 3.211 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.474 5.218 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.046 5.689 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.178 5.766 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.581 3.115 1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.076 3.662 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.516 2.082 2.919 1.00 0.00 H new ATOM 683 N GLU A 44 1.731 2.535 8.010 1.00 0.00 N ATOM 684 CA GLU A 44 2.769 2.615 9.094 1.00 0.00 C ATOM 685 C GLU A 44 2.446 1.632 10.226 1.00 0.00 C ATOM 686 O GLU A 44 3.311 1.269 10.999 1.00 0.00 O ATOM 687 CB GLU A 44 2.795 4.038 9.660 1.00 0.00 C ATOM 688 CG GLU A 44 3.463 4.981 8.656 1.00 0.00 C ATOM 689 CD GLU A 44 3.613 6.369 9.283 1.00 0.00 C ATOM 690 OE1 GLU A 44 3.814 6.437 10.485 1.00 0.00 O ATOM 691 OE2 GLU A 44 3.525 7.340 8.551 1.00 0.00 O ATOM 0 H GLU A 44 0.765 2.562 8.335 1.00 0.00 H new ATOM 0 HA GLU A 44 3.739 2.357 8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.780 4.375 9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.338 4.054 10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.440 4.592 8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.866 5.044 7.746 1.00 0.00 H new ATOM 698 N ARG A 45 1.220 1.206 10.346 1.00 0.00 N ATOM 699 CA ARG A 45 0.875 0.254 11.446 1.00 0.00 C ATOM 700 C ARG A 45 1.388 -1.146 11.092 1.00 0.00 C ATOM 701 O ARG A 45 1.272 -1.593 9.970 1.00 0.00 O ATOM 702 CB ARG A 45 -0.649 0.216 11.631 1.00 0.00 C ATOM 703 CG ARG A 45 -1.004 -0.449 12.978 1.00 0.00 C ATOM 704 CD ARG A 45 -0.953 0.581 14.121 1.00 0.00 C ATOM 705 NE ARG A 45 -2.296 1.208 14.293 1.00 0.00 N ATOM 706 CZ ARG A 45 -2.582 1.847 15.396 1.00 0.00 C ATOM 707 NH1 ARG A 45 -1.697 1.927 16.351 1.00 0.00 N ATOM 708 NH2 ARG A 45 -3.755 2.399 15.546 1.00 0.00 N ATOM 0 H ARG A 45 0.446 1.471 9.737 1.00 0.00 H new ATOM 0 HA ARG A 45 1.343 0.584 12.373 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.052 1.228 11.599 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.109 -0.336 10.812 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.000 -0.888 12.921 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.308 -1.262 13.183 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.646 0.096 15.047 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.209 1.347 13.901 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.991 1.138 13.549 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.782 1.491 16.236 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.920 2.426 17.212 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.449 2.332 14.802 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.978 2.898 16.407 1.00 0.00 H new ATOM 722 N HIS A 46 1.955 -1.844 12.046 1.00 0.00 N ATOM 723 CA HIS A 46 2.475 -3.214 11.760 1.00 0.00 C ATOM 724 C HIS A 46 1.316 -4.134 11.373 1.00 0.00 C ATOM 725 O HIS A 46 0.631 -4.676 12.216 1.00 0.00 O ATOM 726 CB HIS A 46 3.175 -3.778 13.001 1.00 0.00 C ATOM 727 CG HIS A 46 3.704 -5.152 12.692 1.00 0.00 C ATOM 728 ND1 HIS A 46 2.943 -6.298 12.879 1.00 0.00 N ATOM 729 CD2 HIS A 46 4.911 -5.582 12.198 1.00 0.00 C ATOM 730 CE1 HIS A 46 3.695 -7.350 12.501 1.00 0.00 C ATOM 731 NE2 HIS A 46 4.904 -6.968 12.077 1.00 0.00 N ATOM 0 H HIS A 46 2.079 -1.524 13.007 1.00 0.00 H new ATOM 0 HA HIS A 46 3.188 -3.157 10.938 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.991 -3.121 13.303 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.477 -3.824 13.837 1.00 0.00 H new ATOM 0 HD1 HIS A 46 1.989 -6.336 13.237 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.741 -4.940 11.942 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.362 -8.377 12.536 1.00 0.00 H new ATOM 739 N TRP A 47 1.104 -4.320 10.103 1.00 0.00 N ATOM 740 CA TRP A 47 0.003 -5.209 9.644 1.00 0.00 C ATOM 741 C TRP A 47 0.229 -5.513 8.154 1.00 0.00 C ATOM 742 O TRP A 47 -0.467 -4.987 7.308 1.00 0.00 O ATOM 743 CB TRP A 47 -1.344 -4.505 9.850 1.00 0.00 C ATOM 744 CG TRP A 47 -2.465 -5.419 9.454 1.00 0.00 C ATOM 745 CD1 TRP A 47 -2.608 -6.710 9.852 1.00 0.00 C ATOM 746 CD2 TRP A 47 -3.607 -5.131 8.597 1.00 0.00 C ATOM 747 NE1 TRP A 47 -3.751 -7.232 9.276 1.00 0.00 N ATOM 748 CE2 TRP A 47 -4.405 -6.301 8.498 1.00 0.00 C ATOM 749 CE3 TRP A 47 -4.022 -3.977 7.896 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -5.575 -6.328 7.729 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -5.203 -3.998 7.122 1.00 0.00 C ATOM 752 CH2 TRP A 47 -5.977 -5.174 7.039 1.00 0.00 C ATOM 0 H TRP A 47 1.651 -3.891 9.356 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.007 -6.138 10.214 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.455 -4.211 10.894 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.381 -3.592 9.256 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -1.938 -7.242 10.511 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.072 -8.191 9.411 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.433 -3.074 7.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.164 -7.231 7.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.515 -3.110 6.592 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.879 -5.186 6.445 1.00 0.00 H new ATOM 763 N PRO A 48 1.236 -6.324 7.873 1.00 0.00 N ATOM 764 CA PRO A 48 1.597 -6.673 6.481 1.00 0.00 C ATOM 765 C PRO A 48 0.415 -7.296 5.719 1.00 0.00 C ATOM 766 O PRO A 48 0.415 -7.341 4.505 1.00 0.00 O ATOM 767 CB PRO A 48 2.773 -7.671 6.617 1.00 0.00 C ATOM 768 CG PRO A 48 3.184 -7.702 8.117 1.00 0.00 C ATOM 769 CD PRO A 48 2.094 -6.949 8.909 1.00 0.00 C ATOM 0 HA PRO A 48 1.871 -5.791 5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.475 -8.664 6.280 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.613 -7.362 5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.274 -8.730 8.469 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.156 -7.230 8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.521 -7.630 9.539 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.531 -6.198 9.567 1.00 0.00 H new ATOM 777 N LYS A 49 -0.590 -7.771 6.401 1.00 0.00 N ATOM 778 CA LYS A 49 -1.739 -8.375 5.667 1.00 0.00 C ATOM 779 C LYS A 49 -2.534 -7.258 4.981 1.00 0.00 C ATOM 780 O LYS A 49 -3.244 -7.483 4.017 1.00 0.00 O ATOM 781 CB LYS A 49 -2.642 -9.142 6.645 1.00 0.00 C ATOM 782 CG LYS A 49 -3.644 -10.019 5.866 1.00 0.00 C ATOM 783 CD LYS A 49 -3.032 -11.395 5.571 1.00 0.00 C ATOM 784 CE LYS A 49 -3.939 -12.160 4.602 1.00 0.00 C ATOM 785 NZ LYS A 49 -3.563 -13.601 4.600 1.00 0.00 N ATOM 0 H LYS A 49 -0.667 -7.768 7.418 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.369 -9.074 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.034 -9.766 7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.180 -8.440 7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.560 -10.138 6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.918 -9.528 4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.038 -11.278 5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.914 -11.958 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.982 -12.046 4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.845 -11.748 3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.179 -14.120 3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.573 -13.701 4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.674 -13.990 5.558 1.00 0.00 H new ATOM 799 N GLY A 50 -2.402 -6.046 5.452 1.00 0.00 N ATOM 800 CA GLY A 50 -3.133 -4.915 4.813 1.00 0.00 C ATOM 801 C GLY A 50 -2.441 -4.560 3.497 1.00 0.00 C ATOM 802 O GLY A 50 -3.063 -4.117 2.550 1.00 0.00 O ATOM 0 H GLY A 50 -1.820 -5.792 6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.171 -5.192 4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.146 -4.051 5.477 1.00 0.00 H new ATOM 806 N GLU A 51 -1.152 -4.760 3.429 1.00 0.00 N ATOM 807 CA GLU A 51 -0.420 -4.451 2.177 1.00 0.00 C ATOM 808 C GLU A 51 -0.835 -5.482 1.132 1.00 0.00 C ATOM 809 O GLU A 51 -0.879 -5.209 -0.050 1.00 0.00 O ATOM 810 CB GLU A 51 1.093 -4.545 2.420 1.00 0.00 C ATOM 811 CG GLU A 51 1.479 -3.783 3.696 1.00 0.00 C ATOM 812 CD GLU A 51 1.388 -2.274 3.449 1.00 0.00 C ATOM 813 OE1 GLU A 51 0.304 -1.804 3.147 1.00 0.00 O ATOM 814 OE2 GLU A 51 2.408 -1.614 3.564 1.00 0.00 O ATOM 0 H GLU A 51 -0.578 -5.124 4.189 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.655 -3.442 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.389 -5.590 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.631 -4.133 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.817 -4.067 4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.492 -4.051 3.998 1.00 0.00 H new ATOM 821 N GLN A 52 -1.153 -6.669 1.572 1.00 0.00 N ATOM 822 CA GLN A 52 -1.588 -7.725 0.623 1.00 0.00 C ATOM 823 C GLN A 52 -2.869 -7.263 -0.075 1.00 0.00 C ATOM 824 O GLN A 52 -3.029 -7.421 -1.268 1.00 0.00 O ATOM 825 CB GLN A 52 -1.850 -9.024 1.388 1.00 0.00 C ATOM 826 CG GLN A 52 -0.522 -9.594 1.893 1.00 0.00 C ATOM 827 CD GLN A 52 -0.767 -10.955 2.543 1.00 0.00 C ATOM 828 OE1 GLN A 52 -1.603 -11.712 2.096 1.00 0.00 O ATOM 829 NE2 GLN A 52 -0.067 -11.300 3.589 1.00 0.00 N ATOM 0 H GLN A 52 -1.129 -6.951 2.552 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.810 -7.903 -0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.520 -8.836 2.227 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.346 -9.747 0.740 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.181 -9.695 1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.071 -8.911 2.613 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.636 -10.664 3.965 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.223 -12.206 4.031 1.00 0.00 H new ATOM 838 N ILE A 53 -3.777 -6.675 0.663 1.00 0.00 N ATOM 839 CA ILE A 53 -5.047 -6.190 0.041 1.00 0.00 C ATOM 840 C ILE A 53 -4.706 -5.249 -1.122 1.00 0.00 C ATOM 841 O ILE A 53 -5.218 -5.383 -2.217 1.00 0.00 O ATOM 842 CB ILE A 53 -5.871 -5.433 1.090 1.00 0.00 C ATOM 843 CG1 ILE A 53 -6.344 -6.417 2.174 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.083 -4.783 0.417 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.971 -5.661 3.365 1.00 0.00 C ATOM 0 H ILE A 53 -3.694 -6.510 1.666 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.625 -7.037 -0.329 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.257 -4.658 1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.074 -7.108 1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.502 -7.016 2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.668 -4.245 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.743 -4.086 -0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.701 -5.554 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.298 -6.377 4.119 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.231 -4.989 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.827 -5.082 3.019 1.00 0.00 H new ATOM 857 N ILE A 54 -3.842 -4.298 -0.890 1.00 0.00 N ATOM 858 CA ILE A 54 -3.468 -3.345 -1.976 1.00 0.00 C ATOM 859 C ILE A 54 -2.789 -4.101 -3.122 1.00 0.00 C ATOM 860 O ILE A 54 -3.174 -3.982 -4.269 1.00 0.00 O ATOM 861 CB ILE A 54 -2.505 -2.299 -1.407 1.00 0.00 C ATOM 862 CG1 ILE A 54 -3.283 -1.384 -0.449 1.00 0.00 C ATOM 863 CG2 ILE A 54 -1.909 -1.471 -2.548 1.00 0.00 C ATOM 864 CD1 ILE A 54 -2.320 -0.503 0.371 1.00 0.00 C ATOM 0 H ILE A 54 -3.378 -4.139 0.005 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.364 -2.855 -2.359 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.694 -2.792 -0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.966 -0.752 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.892 -1.988 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.224 -0.728 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.368 -2.127 -3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.710 -0.967 -3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.894 0.136 1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.654 -1.138 0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.730 0.117 -0.304 1.00 0.00 H new ATOM 876 N ALA A 55 -1.777 -4.868 -2.828 1.00 0.00 N ATOM 877 CA ALA A 55 -1.076 -5.617 -3.909 1.00 0.00 C ATOM 878 C ALA A 55 -2.059 -6.562 -4.601 1.00 0.00 C ATOM 879 O ALA A 55 -1.928 -6.863 -5.771 1.00 0.00 O ATOM 880 CB ALA A 55 0.062 -6.437 -3.299 1.00 0.00 C ATOM 0 H ALA A 55 -1.405 -5.009 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.676 -4.911 -4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.577 -6.987 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.766 -5.769 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.345 -7.140 -2.573 1.00 0.00 H new ATOM 886 N ASN A 56 -3.040 -7.036 -3.886 1.00 0.00 N ATOM 887 CA ASN A 56 -4.033 -7.967 -4.500 1.00 0.00 C ATOM 888 C ASN A 56 -4.699 -7.297 -5.701 1.00 0.00 C ATOM 889 O ASN A 56 -4.953 -7.923 -6.711 1.00 0.00 O ATOM 890 CB ASN A 56 -5.098 -8.339 -3.466 1.00 0.00 C ATOM 891 CG ASN A 56 -6.026 -9.410 -4.046 1.00 0.00 C ATOM 892 OD1 ASN A 56 -6.377 -9.365 -5.209 1.00 0.00 O ATOM 893 ND2 ASN A 56 -6.444 -10.380 -3.277 1.00 0.00 N ATOM 0 H ASN A 56 -3.199 -6.820 -2.902 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.519 -8.869 -4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.623 -8.708 -2.557 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.674 -7.456 -3.189 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.064 -11.098 -3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.151 -10.420 -2.301 1.00 0.00 H new ATOM 900 N ALA A 57 -5.002 -6.034 -5.595 1.00 0.00 N ATOM 901 CA ALA A 57 -5.664 -5.337 -6.733 1.00 0.00 C ATOM 902 C ALA A 57 -4.755 -5.375 -7.962 1.00 0.00 C ATOM 903 O ALA A 57 -5.214 -5.533 -9.077 1.00 0.00 O ATOM 904 CB ALA A 57 -5.961 -3.888 -6.346 1.00 0.00 C ATOM 0 H ALA A 57 -4.821 -5.456 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.601 -5.842 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.445 -3.381 -7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.621 -3.871 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.029 -3.378 -6.103 1.00 0.00 H new ATOM 910 N LEU A 58 -3.471 -5.241 -7.774 1.00 0.00 N ATOM 911 CA LEU A 58 -2.537 -5.278 -8.932 1.00 0.00 C ATOM 912 C LEU A 58 -2.154 -6.730 -9.204 1.00 0.00 C ATOM 913 O LEU A 58 -1.338 -7.021 -10.058 1.00 0.00 O ATOM 914 CB LEU A 58 -1.269 -4.499 -8.585 1.00 0.00 C ATOM 915 CG LEU A 58 -1.590 -3.023 -8.330 1.00 0.00 C ATOM 916 CD1 LEU A 58 -0.344 -2.344 -7.751 1.00 0.00 C ATOM 917 CD2 LEU A 58 -2.000 -2.331 -9.645 1.00 0.00 C ATOM 0 H LEU A 58 -3.028 -5.107 -6.865 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.016 -4.837 -9.806 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.801 -4.932 -7.701 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.550 -4.584 -9.400 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.419 -2.945 -7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.557 -1.292 -7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.066 -2.830 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.479 -2.427 -8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.225 -1.283 -9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.182 -2.399 -10.362 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.883 -2.822 -10.054 1.00 0.00 H new ATOM 929 N GLU A 59 -2.733 -7.647 -8.475 1.00 0.00 N ATOM 930 CA GLU A 59 -2.396 -9.080 -8.678 1.00 0.00 C ATOM 931 C GLU A 59 -0.884 -9.254 -8.511 1.00 0.00 C ATOM 932 O GLU A 59 -0.295 -10.191 -9.014 1.00 0.00 O ATOM 933 CB GLU A 59 -2.825 -9.509 -10.092 1.00 0.00 C ATOM 934 CG GLU A 59 -3.058 -11.024 -10.142 1.00 0.00 C ATOM 935 CD GLU A 59 -3.623 -11.404 -11.514 1.00 0.00 C ATOM 936 OE1 GLU A 59 -3.447 -10.629 -12.439 1.00 0.00 O ATOM 937 OE2 GLU A 59 -4.222 -12.463 -11.614 1.00 0.00 O ATOM 0 H GLU A 59 -3.425 -7.462 -7.748 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.918 -9.699 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.737 -8.985 -10.377 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.057 -9.228 -10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.122 -11.554 -9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.750 -11.323 -9.355 1.00 0.00 H new ATOM 944 N THR A 60 -0.253 -8.346 -7.799 1.00 0.00 N ATOM 945 CA THR A 60 1.227 -8.429 -7.582 1.00 0.00 C ATOM 946 C THR A 60 1.514 -8.745 -6.113 1.00 0.00 C ATOM 947 O THR A 60 0.628 -9.104 -5.362 1.00 0.00 O ATOM 948 CB THR A 60 1.885 -7.092 -7.977 1.00 0.00 C ATOM 949 OG1 THR A 60 3.270 -7.305 -8.198 1.00 0.00 O ATOM 950 CG2 THR A 60 1.701 -6.039 -6.873 1.00 0.00 C ATOM 0 H THR A 60 -0.705 -7.546 -7.357 1.00 0.00 H new ATOM 0 HA THR A 60 1.641 -9.224 -8.202 1.00 0.00 H new ATOM 0 HB THR A 60 1.408 -6.724 -8.885 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.695 -6.459 -8.451 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.175 -5.106 -7.178 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.637 -5.869 -6.706 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.160 -6.395 -5.951 1.00 0.00 H new ATOM 958 N LYS A 61 2.754 -8.606 -5.704 1.00 0.00 N ATOM 959 CA LYS A 61 3.133 -8.887 -4.285 1.00 0.00 C ATOM 960 C LYS A 61 3.549 -7.561 -3.613 1.00 0.00 C ATOM 961 O LYS A 61 4.054 -6.686 -4.287 1.00 0.00 O ATOM 962 CB LYS A 61 4.316 -9.865 -4.275 1.00 0.00 C ATOM 963 CG LYS A 61 4.075 -10.997 -5.300 1.00 0.00 C ATOM 964 CD LYS A 61 4.709 -10.633 -6.659 1.00 0.00 C ATOM 965 CE LYS A 61 6.172 -11.093 -6.690 1.00 0.00 C ATOM 966 NZ LYS A 61 6.852 -10.526 -7.890 1.00 0.00 N ATOM 0 H LYS A 61 3.526 -8.307 -6.300 1.00 0.00 H new ATOM 0 HA LYS A 61 2.294 -9.324 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.238 -9.336 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.441 -10.287 -3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.502 -11.929 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.005 -11.164 -5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.152 -11.105 -7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.653 -9.556 -6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.684 -10.770 -5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.221 -12.182 -6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.843 -10.840 -7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.369 -10.855 -8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.818 -9.487 -7.850 1.00 0.00 H new ATOM 980 N PRO A 62 3.338 -7.429 -2.313 1.00 0.00 N ATOM 981 CA PRO A 62 3.710 -6.188 -1.600 1.00 0.00 C ATOM 982 C PRO A 62 5.230 -5.961 -1.668 1.00 0.00 C ATOM 983 O PRO A 62 5.700 -4.840 -1.666 1.00 0.00 O ATOM 984 CB PRO A 62 3.245 -6.414 -0.143 1.00 0.00 C ATOM 985 CG PRO A 62 2.799 -7.899 -0.025 1.00 0.00 C ATOM 986 CD PRO A 62 2.726 -8.471 -1.456 1.00 0.00 C ATOM 0 HA PRO A 62 3.250 -5.303 -2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.053 -6.199 0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.422 -5.745 0.106 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.507 -8.466 0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.829 -7.971 0.468 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.267 -9.414 -1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 62 1.695 -8.670 -1.750 1.00 0.00 H new ATOM 994 N GLU A 63 6.001 -7.013 -1.707 1.00 0.00 N ATOM 995 CA GLU A 63 7.482 -6.843 -1.753 1.00 0.00 C ATOM 996 C GLU A 63 7.872 -5.990 -2.965 1.00 0.00 C ATOM 997 O GLU A 63 9.015 -5.613 -3.122 1.00 0.00 O ATOM 998 CB GLU A 63 8.157 -8.216 -1.843 1.00 0.00 C ATOM 999 CG GLU A 63 7.531 -9.030 -2.981 1.00 0.00 C ATOM 1000 CD GLU A 63 8.458 -10.189 -3.352 1.00 0.00 C ATOM 1001 OE1 GLU A 63 9.659 -9.980 -3.368 1.00 0.00 O ATOM 1002 OE2 GLU A 63 7.952 -11.266 -3.619 1.00 0.00 O ATOM 0 H GLU A 63 5.672 -7.979 -1.709 1.00 0.00 H new ATOM 0 HA GLU A 63 7.813 -6.340 -0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.226 -8.095 -2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.045 -8.749 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.558 -9.413 -2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.364 -8.392 -3.849 1.00 0.00 H new ATOM 1009 N VAL A 64 6.935 -5.681 -3.826 1.00 0.00 N ATOM 1010 CA VAL A 64 7.263 -4.849 -5.033 1.00 0.00 C ATOM 1011 C VAL A 64 6.986 -3.373 -4.731 1.00 0.00 C ATOM 1012 O VAL A 64 7.663 -2.494 -5.224 1.00 0.00 O ATOM 1013 CB VAL A 64 6.389 -5.278 -6.215 1.00 0.00 C ATOM 1014 CG1 VAL A 64 6.883 -4.595 -7.493 1.00 0.00 C ATOM 1015 CG2 VAL A 64 6.463 -6.793 -6.395 1.00 0.00 C ATOM 0 H VAL A 64 5.959 -5.966 -3.749 1.00 0.00 H new ATOM 0 HA VAL A 64 8.315 -4.990 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 64 5.357 -4.987 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.260 -4.901 -8.333 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.825 -3.513 -7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.917 -4.884 -7.684 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.839 -7.090 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.495 -7.087 -6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.108 -7.285 -5.489 1.00 0.00 H new ATOM 1025 N ILE A 65 5.994 -3.095 -3.928 1.00 0.00 N ATOM 1026 CA ILE A 65 5.661 -1.676 -3.602 1.00 0.00 C ATOM 1027 C ILE A 65 6.499 -1.207 -2.406 1.00 0.00 C ATOM 1028 O ILE A 65 6.636 -0.023 -2.170 1.00 0.00 O ATOM 1029 CB ILE A 65 4.168 -1.574 -3.269 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.334 -2.021 -4.492 1.00 0.00 C ATOM 1031 CG2 ILE A 65 3.823 -0.124 -2.905 1.00 0.00 C ATOM 1032 CD1 ILE A 65 1.969 -2.557 -4.032 1.00 0.00 C ATOM 0 H ILE A 65 5.397 -3.792 -3.482 1.00 0.00 H new ATOM 0 HA ILE A 65 5.886 -1.040 -4.459 1.00 0.00 H new ATOM 0 HB ILE A 65 3.938 -2.221 -2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.193 -1.181 -5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.869 -2.793 -5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.762 -0.051 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.410 0.183 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.052 0.527 -3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.389 -2.869 -4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.117 -3.410 -3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.431 -1.773 -3.499 1.00 0.00 H new ATOM 1044 N TRP A 66 7.076 -2.124 -1.655 1.00 0.00 N ATOM 1045 CA TRP A 66 7.924 -1.717 -0.480 1.00 0.00 C ATOM 1046 C TRP A 66 9.196 -2.581 -0.405 1.00 0.00 C ATOM 1047 O TRP A 66 9.333 -3.383 0.497 1.00 0.00 O ATOM 1048 CB TRP A 66 7.118 -1.889 0.810 1.00 0.00 C ATOM 1049 CG TRP A 66 6.033 -0.864 0.845 1.00 0.00 C ATOM 1050 CD1 TRP A 66 6.208 0.437 1.181 1.00 0.00 C ATOM 1051 CD2 TRP A 66 4.620 -1.024 0.534 1.00 0.00 C ATOM 1052 NE1 TRP A 66 4.992 1.091 1.090 1.00 0.00 N ATOM 1053 CE2 TRP A 66 3.982 0.237 0.697 1.00 0.00 C ATOM 1054 CE3 TRP A 66 3.832 -2.127 0.130 1.00 0.00 C ATOM 1055 CZ2 TRP A 66 2.611 0.400 0.465 1.00 0.00 C ATOM 1056 CZ3 TRP A 66 2.447 -1.967 -0.106 1.00 0.00 C ATOM 1057 CH2 TRP A 66 1.840 -0.704 0.061 1.00 0.00 C ATOM 0 H TRP A 66 6.997 -3.130 -1.804 1.00 0.00 H new ATOM 0 HA TRP A 66 8.215 -0.674 -0.602 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.691 -2.891 0.857 1.00 0.00 H new ATOM 0 HB3 TRP A 66 7.768 -1.779 1.678 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.144 0.890 1.472 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.859 2.082 1.289 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.290 -3.096 0.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.149 1.367 0.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.852 -2.814 -0.415 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.782 -0.585 -0.122 1.00 0.00 H new ATOM 1068 N PRO A 67 10.102 -2.394 -1.348 1.00 0.00 N ATOM 1069 CA PRO A 67 11.365 -3.160 -1.376 1.00 0.00 C ATOM 1070 C PRO A 67 12.334 -2.666 -0.282 1.00 0.00 C ATOM 1071 O PRO A 67 13.117 -3.429 0.245 1.00 0.00 O ATOM 1072 CB PRO A 67 11.947 -2.893 -2.785 1.00 0.00 C ATOM 1073 CG PRO A 67 11.097 -1.759 -3.433 1.00 0.00 C ATOM 1074 CD PRO A 67 9.942 -1.434 -2.460 1.00 0.00 C ATOM 0 HA PRO A 67 11.208 -4.222 -1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.994 -2.597 -2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.909 -3.797 -3.393 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.709 -0.875 -3.611 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.707 -2.077 -4.400 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.001 -0.405 -2.106 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.973 -1.549 -2.945 1.00 0.00 H new ATOM 1082 N SER A 68 12.308 -1.399 0.046 1.00 0.00 N ATOM 1083 CA SER A 68 13.257 -0.884 1.084 1.00 0.00 C ATOM 1084 C SER A 68 12.812 -1.328 2.482 1.00 0.00 C ATOM 1085 O SER A 68 13.493 -1.093 3.460 1.00 0.00 O ATOM 1086 CB SER A 68 13.296 0.644 1.030 1.00 0.00 C ATOM 1087 OG SER A 68 13.393 1.065 -0.325 1.00 0.00 O ATOM 0 H SER A 68 11.678 -0.704 -0.354 1.00 0.00 H new ATOM 0 HA SER A 68 14.249 -1.288 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.398 1.058 1.488 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.146 1.018 1.601 1.00 0.00 H new ATOM 0 HG SER A 68 12.543 1.465 -0.605 1.00 0.00 H new ATOM 1093 N ARG A 69 11.678 -1.969 2.584 1.00 0.00 N ATOM 1094 CA ARG A 69 11.178 -2.438 3.921 1.00 0.00 C ATOM 1095 C ARG A 69 11.379 -3.951 4.039 1.00 0.00 C ATOM 1096 O ARG A 69 11.582 -4.477 5.116 1.00 0.00 O ATOM 1097 CB ARG A 69 9.682 -2.132 4.044 1.00 0.00 C ATOM 1098 CG ARG A 69 9.427 -0.626 3.855 1.00 0.00 C ATOM 1099 CD ARG A 69 9.674 0.128 5.169 1.00 0.00 C ATOM 1100 NE ARG A 69 8.894 -0.496 6.292 1.00 0.00 N ATOM 1101 CZ ARG A 69 7.595 -0.638 6.239 1.00 0.00 C ATOM 1102 NH1 ARG A 69 6.900 -0.085 5.282 1.00 0.00 N ATOM 1103 NH2 ARG A 69 6.979 -1.293 7.185 1.00 0.00 N ATOM 0 H ARG A 69 11.069 -2.192 1.797 1.00 0.00 H new ATOM 0 HA ARG A 69 11.729 -1.925 4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.126 -2.698 3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.318 -2.449 5.021 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.081 -0.235 3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.402 -0.463 3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.738 0.116 5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.385 1.173 5.055 1.00 0.00 H new ATOM 0 HE ARG A 69 9.393 -0.819 7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.370 0.466 4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.887 -0.204 5.253 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.511 -1.690 7.960 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.966 -1.407 7.150 1.00 0.00 H new ATOM 1117 N TYR A 70 11.322 -4.654 2.936 1.00 0.00 N ATOM 1118 CA TYR A 70 11.502 -6.143 2.967 1.00 0.00 C ATOM 1119 C TYR A 70 12.920 -6.485 2.504 1.00 0.00 C ATOM 1120 O TYR A 70 13.584 -5.689 1.874 1.00 0.00 O ATOM 1121 CB TYR A 70 10.495 -6.794 2.005 1.00 0.00 C ATOM 1122 CG TYR A 70 9.129 -6.832 2.646 1.00 0.00 C ATOM 1123 CD1 TYR A 70 8.873 -7.713 3.716 1.00 0.00 C ATOM 1124 CD2 TYR A 70 8.114 -5.984 2.177 1.00 0.00 C ATOM 1125 CE1 TYR A 70 7.598 -7.741 4.314 1.00 0.00 C ATOM 1126 CE2 TYR A 70 6.839 -6.009 2.773 1.00 0.00 C ATOM 1127 CZ TYR A 70 6.581 -6.888 3.841 1.00 0.00 C ATOM 1128 OH TYR A 70 5.331 -6.913 4.428 1.00 0.00 O ATOM 0 H TYR A 70 11.158 -4.261 2.009 1.00 0.00 H new ATOM 0 HA TYR A 70 11.340 -6.512 3.980 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.454 -6.232 1.072 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.818 -7.805 1.755 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.654 -8.366 4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.312 -5.310 1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.400 -8.415 5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.060 -5.354 2.411 1.00 0.00 H new ATOM 0 HH TYR A 70 4.748 -6.263 3.983 1.00 0.00 H new ATOM 1138 N GLN A 71 13.384 -7.666 2.805 1.00 0.00 N ATOM 1139 CA GLN A 71 14.754 -8.063 2.373 1.00 0.00 C ATOM 1140 C GLN A 71 14.857 -9.588 2.355 1.00 0.00 C ATOM 1141 O GLN A 71 15.225 -10.206 3.334 1.00 0.00 O ATOM 1142 CB GLN A 71 15.790 -7.491 3.344 1.00 0.00 C ATOM 1143 CG GLN A 71 17.192 -7.678 2.760 1.00 0.00 C ATOM 1144 CD GLN A 71 18.236 -7.316 3.817 1.00 0.00 C ATOM 1145 OE1 GLN A 71 19.422 -7.338 3.551 1.00 0.00 O ATOM 1146 NE2 GLN A 71 17.842 -6.984 5.015 1.00 0.00 N ATOM 0 H GLN A 71 12.873 -8.374 3.332 1.00 0.00 H new ATOM 0 HA GLN A 71 14.946 -7.671 1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.595 -6.433 3.519 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.716 -7.993 4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.328 -8.710 2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.318 -7.049 1.879 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.847 -6.966 5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.529 -6.743 5.729 1.00 0.00 H new ATOM 1155 N ALA A 72 14.534 -10.199 1.250 1.00 0.00 N ATOM 1156 CA ALA A 72 14.613 -11.686 1.165 1.00 0.00 C ATOM 1157 C ALA A 72 14.809 -12.095 -0.295 1.00 0.00 C ATOM 1158 O ALA A 72 15.862 -11.897 -0.867 1.00 0.00 O ATOM 1159 CB ALA A 72 13.318 -12.303 1.701 1.00 0.00 C ATOM 0 H ALA A 72 14.218 -9.733 0.400 1.00 0.00 H new ATOM 0 HA ALA A 72 15.453 -12.042 1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.379 -13.389 1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.177 -12.008 2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.474 -11.952 1.107 1.00 0.00 H new ATOM 1165 N GLY A 73 13.804 -12.665 -0.905 1.00 0.00 N ATOM 1166 CA GLY A 73 13.934 -13.087 -2.331 1.00 0.00 C ATOM 1167 C GLY A 73 13.065 -14.320 -2.573 1.00 0.00 C ATOM 1168 O GLY A 73 12.226 -14.669 -1.767 1.00 0.00 O ATOM 0 H GLY A 73 12.898 -12.857 -0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.627 -12.276 -2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.975 -13.310 -2.563 1.00 0.00 H new ATOM 1172 N GLU A 74 13.260 -14.987 -3.680 1.00 0.00 N ATOM 1173 CA GLU A 74 12.449 -16.206 -3.981 1.00 0.00 C ATOM 1174 C GLU A 74 13.313 -17.207 -4.749 1.00 0.00 C ATOM 1175 O GLU A 74 14.324 -17.625 -4.208 1.00 0.00 O ATOM 1176 CB GLU A 74 11.240 -15.818 -4.833 1.00 0.00 C ATOM 1177 CG GLU A 74 10.215 -15.085 -3.964 1.00 0.00 C ATOM 1178 CD GLU A 74 9.002 -14.705 -4.814 1.00 0.00 C ATOM 1179 OE1 GLU A 74 9.045 -14.941 -6.009 1.00 0.00 O ATOM 1180 OE2 GLU A 74 8.053 -14.183 -4.256 1.00 0.00 O ATOM 1181 OXT GLU A 74 12.949 -17.538 -5.865 1.00 0.00 O ATOM 0 H GLU A 74 13.948 -14.740 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 74 12.105 -16.656 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.554 -15.180 -5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.790 -16.709 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.906 -15.720 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.663 -14.191 -3.531 1.00 0.00 H new TER 1188 GLU A 74