USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 924 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 80 CYS SG : rot 71:sc= -0.822 USER MOD Set 1.2: A 95 CYS SG : rot -120:sc= -0.899 USER MOD Set 2.1: A 63 THR OG1 : rot 42:sc= 0.338 USER MOD Set 2.2: A 106 LYS NZ :NH3+ -156:sc= 0.358 (180deg=0) USER MOD Set 3.1: A 54 MET CE :methyl -143:sc= -3.93! (180deg=-5.11!) USER MOD Set 3.2: A 58 CYS SG : rot 48:sc= -1.98 USER MOD Set 4.1: A 17 GLN : amide:sc= 0 X(o=-1,f=-1) USER MOD Set 4.2: A 71 GLN : amide:sc= -1.04! C(o=-1!,f=-2.3!) USER MOD Single : A 1 GLY N :NH3+ -173:sc= 0 (180deg=-0.075) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0532) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0189) USER MOD Single : A 27 ASN : amide:sc= -1.17 K(o=-1.2,f=-5.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.672 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -6.85! C(o=-8.6!,f=-6.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -4.89! C(o=-4.9!,f=-5.8!) USER MOD Single : A 60 ASN :FLIP amide:sc= 0.015 F(o=-1,f=0.015) USER MOD Single : A 65 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.015) USER MOD Single : A 67 CYS SG : rot 180:sc= -4.33 USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= -0.629 (180deg=-0.781) USER MOD Single : A 83 GLN : amide:sc= -7.44! C(o=-7.4!,f=-11!) USER MOD Single : A 86 CYS SG : rot -105:sc= -0.117 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -122:sc= 0.0169 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.00922 USER MOD Single : A 102 CYS SG : rot -170:sc= -0.127 USER MOD Single : A 108 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 112 SER OG : rot -55:sc= 1.21 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 31:sc= 0.476 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.943 -8.492 -15.101 1.00 0.00 N ATOM 2 CA GLY A 1 -10.424 -9.845 -15.185 1.00 0.00 C ATOM 3 C GLY A 1 -11.498 -10.893 -14.974 1.00 0.00 C ATOM 4 O GLY A 1 -11.504 -11.929 -15.638 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.198 -7.817 -15.368 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.751 -8.390 -15.747 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.252 -8.298 -14.127 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.963 -9.994 -16.161 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.640 -9.977 -14.439 1.00 0.00 H new ATOM 8 N SER A 2 -12.410 -10.624 -14.045 1.00 0.00 N ATOM 9 CA SER A 2 -13.492 -11.555 -13.744 1.00 0.00 C ATOM 10 C SER A 2 -14.785 -10.804 -13.440 1.00 0.00 C ATOM 11 O SER A 2 -14.791 -9.837 -12.679 1.00 0.00 O ATOM 12 CB SER A 2 -13.114 -12.443 -12.557 1.00 0.00 C ATOM 13 OG SER A 2 -14.115 -13.414 -12.307 1.00 0.00 O ATOM 0 H SER A 2 -12.421 -9.770 -13.488 1.00 0.00 H new ATOM 0 HA SER A 2 -13.653 -12.182 -14.621 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.164 -12.939 -12.758 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.971 -11.827 -11.669 1.00 0.00 H new ATOM 0 HG SER A 2 -13.849 -13.970 -11.545 1.00 0.00 H new ATOM 19 N SER A 3 -15.880 -11.258 -14.041 1.00 0.00 N ATOM 20 CA SER A 3 -17.180 -10.629 -13.839 1.00 0.00 C ATOM 21 C SER A 3 -17.821 -11.111 -12.541 1.00 0.00 C ATOM 22 O SER A 3 -17.598 -12.240 -12.107 1.00 0.00 O ATOM 23 CB SER A 3 -18.105 -10.929 -15.020 1.00 0.00 C ATOM 24 OG SER A 3 -19.443 -10.569 -14.724 1.00 0.00 O ATOM 0 H SER A 3 -15.893 -12.059 -14.672 1.00 0.00 H new ATOM 0 HA SER A 3 -17.028 -9.552 -13.771 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.765 -10.384 -15.900 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.056 -11.990 -15.264 1.00 0.00 H new ATOM 0 HG SER A 3 -20.014 -10.769 -15.495 1.00 0.00 H new ATOM 30 N GLY A 4 -18.620 -10.244 -11.926 1.00 0.00 N ATOM 31 CA GLY A 4 -19.282 -10.598 -10.683 1.00 0.00 C ATOM 32 C GLY A 4 -18.767 -9.797 -9.504 1.00 0.00 C ATOM 33 O GLY A 4 -19.441 -8.886 -9.022 1.00 0.00 O ATOM 0 H GLY A 4 -18.821 -9.303 -12.266 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.355 -10.436 -10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.137 -11.661 -10.488 1.00 0.00 H new ATOM 37 N SER A 5 -17.571 -10.137 -9.036 1.00 0.00 N ATOM 38 CA SER A 5 -16.969 -9.447 -7.902 1.00 0.00 C ATOM 39 C SER A 5 -17.076 -7.934 -8.067 1.00 0.00 C ATOM 40 O SER A 5 -17.508 -7.442 -9.110 1.00 0.00 O ATOM 41 CB SER A 5 -15.501 -9.852 -7.751 1.00 0.00 C ATOM 42 OG SER A 5 -15.376 -11.248 -7.548 1.00 0.00 O ATOM 0 H SER A 5 -16.999 -10.887 -9.425 1.00 0.00 H new ATOM 0 HA SER A 5 -17.513 -9.737 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.946 -9.560 -8.643 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.058 -9.318 -6.911 1.00 0.00 H new ATOM 0 HG SER A 5 -14.429 -11.482 -7.456 1.00 0.00 H new ATOM 48 N SER A 6 -16.681 -7.202 -7.031 1.00 0.00 N ATOM 49 CA SER A 6 -16.736 -5.745 -7.058 1.00 0.00 C ATOM 50 C SER A 6 -15.508 -5.168 -7.757 1.00 0.00 C ATOM 51 O SER A 6 -14.487 -5.840 -7.897 1.00 0.00 O ATOM 52 CB SER A 6 -16.835 -5.190 -5.636 1.00 0.00 C ATOM 53 OG SER A 6 -17.411 -3.895 -5.633 1.00 0.00 O ATOM 0 H SER A 6 -16.319 -7.594 -6.162 1.00 0.00 H new ATOM 0 HA SER A 6 -17.624 -5.450 -7.618 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.436 -5.860 -5.022 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.842 -5.151 -5.188 1.00 0.00 H new ATOM 0 HG SER A 6 -17.465 -3.563 -4.713 1.00 0.00 H new ATOM 59 N GLY A 7 -15.617 -3.917 -8.194 1.00 0.00 N ATOM 60 CA GLY A 7 -14.510 -3.270 -8.873 1.00 0.00 C ATOM 61 C GLY A 7 -13.656 -2.442 -7.932 1.00 0.00 C ATOM 62 O GLY A 7 -14.178 -1.679 -7.119 1.00 0.00 O ATOM 0 H GLY A 7 -16.452 -3.340 -8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.889 -4.027 -9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.898 -2.629 -9.665 1.00 0.00 H new ATOM 66 N PHE A 8 -12.341 -2.594 -8.041 1.00 0.00 N ATOM 67 CA PHE A 8 -11.413 -1.856 -7.191 1.00 0.00 C ATOM 68 C PHE A 8 -10.959 -0.568 -7.871 1.00 0.00 C ATOM 69 O PHE A 8 -10.629 -0.562 -9.057 1.00 0.00 O ATOM 70 CB PHE A 8 -10.199 -2.723 -6.853 1.00 0.00 C ATOM 71 CG PHE A 8 -10.561 -4.076 -6.309 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.328 -4.193 -5.161 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.134 -5.230 -6.945 1.00 0.00 C ATOM 74 CE1 PHE A 8 -11.662 -5.436 -4.658 1.00 0.00 C ATOM 75 CE2 PHE A 8 -10.464 -6.476 -6.447 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.231 -6.579 -5.303 1.00 0.00 C ATOM 0 H PHE A 8 -11.893 -3.221 -8.709 1.00 0.00 H new ATOM 0 HA PHE A 8 -11.933 -1.595 -6.269 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.593 -2.851 -7.750 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.581 -2.200 -6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.669 -3.303 -4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.536 -5.155 -7.841 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.259 -5.514 -3.762 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.123 -7.368 -6.951 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.493 -7.552 -4.913 1.00 0.00 H new ATOM 86 N VAL A 9 -10.945 0.522 -7.111 1.00 0.00 N ATOM 87 CA VAL A 9 -10.532 1.817 -7.639 1.00 0.00 C ATOM 88 C VAL A 9 -9.247 1.694 -8.451 1.00 0.00 C ATOM 89 O VAL A 9 -9.212 2.034 -9.634 1.00 0.00 O ATOM 90 CB VAL A 9 -10.316 2.841 -6.509 1.00 0.00 C ATOM 91 CG1 VAL A 9 -9.943 4.199 -7.083 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.559 2.944 -5.639 1.00 0.00 C ATOM 0 H VAL A 9 -11.215 0.534 -6.127 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.336 2.166 -8.287 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.491 2.498 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.794 4.909 -6.270 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.022 4.110 -7.660 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.745 4.552 -7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.389 3.672 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.404 3.263 -6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.776 1.971 -5.198 1.00 0.00 H new ATOM 102 N LYS A 10 -8.192 1.205 -7.809 1.00 0.00 N ATOM 103 CA LYS A 10 -6.904 1.035 -8.470 1.00 0.00 C ATOM 104 C LYS A 10 -6.205 -0.230 -7.983 1.00 0.00 C ATOM 105 O LYS A 10 -6.305 -0.594 -6.811 1.00 0.00 O ATOM 106 CB LYS A 10 -6.012 2.253 -8.217 1.00 0.00 C ATOM 107 CG LYS A 10 -4.603 2.098 -8.761 1.00 0.00 C ATOM 108 CD LYS A 10 -3.739 3.301 -8.422 1.00 0.00 C ATOM 109 CE LYS A 10 -2.258 2.963 -8.495 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.809 2.734 -9.896 1.00 0.00 N ATOM 0 H LYS A 10 -8.204 0.919 -6.830 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.084 0.940 -9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.473 3.131 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.960 2.438 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.150 1.196 -8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.642 1.970 -9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.962 4.116 -9.111 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.983 3.655 -7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.678 3.775 -8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.059 2.072 -7.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.794 2.506 -9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.344 1.943 -10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.975 3.593 -10.458 1.00 0.00 H new ATOM 124 N SER A 11 -5.496 -0.896 -8.889 1.00 0.00 N ATOM 125 CA SER A 11 -4.782 -2.122 -8.552 1.00 0.00 C ATOM 126 C SER A 11 -3.363 -2.095 -9.111 1.00 0.00 C ATOM 127 O SER A 11 -3.130 -1.616 -10.220 1.00 0.00 O ATOM 128 CB SER A 11 -5.534 -3.340 -9.093 1.00 0.00 C ATOM 129 OG SER A 11 -5.647 -3.283 -10.504 1.00 0.00 O ATOM 0 H SER A 11 -5.401 -0.607 -9.863 1.00 0.00 H new ATOM 0 HA SER A 11 -4.724 -2.193 -7.466 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.012 -4.252 -8.803 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.527 -3.386 -8.647 1.00 0.00 H new ATOM 0 HG SER A 11 -6.130 -4.073 -10.826 1.00 0.00 H new ATOM 135 N GLY A 12 -2.418 -2.615 -8.335 1.00 0.00 N ATOM 136 CA GLY A 12 -1.033 -2.642 -8.768 1.00 0.00 C ATOM 137 C GLY A 12 -0.138 -3.398 -7.805 1.00 0.00 C ATOM 138 O GLY A 12 -0.476 -3.561 -6.633 1.00 0.00 O ATOM 0 H GLY A 12 -2.587 -3.018 -7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.973 -3.104 -9.754 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.668 -1.620 -8.872 1.00 0.00 H new ATOM 142 N TRP A 13 1.003 -3.860 -8.301 1.00 0.00 N ATOM 143 CA TRP A 13 1.948 -4.605 -7.476 1.00 0.00 C ATOM 144 C TRP A 13 2.741 -3.665 -6.574 1.00 0.00 C ATOM 145 O TRP A 13 3.212 -2.615 -7.015 1.00 0.00 O ATOM 146 CB TRP A 13 2.903 -5.411 -8.358 1.00 0.00 C ATOM 147 CG TRP A 13 2.274 -6.637 -8.948 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.774 -6.775 -10.211 1.00 0.00 C ATOM 149 CD2 TRP A 13 2.077 -7.897 -8.296 1.00 0.00 C ATOM 150 NE1 TRP A 13 1.278 -8.045 -10.384 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.452 -8.753 -9.224 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.369 -8.385 -7.020 1.00 0.00 C ATOM 153 CZ2 TRP A 13 1.115 -10.067 -8.914 1.00 0.00 C ATOM 154 CZ3 TRP A 13 2.034 -9.690 -6.714 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.413 -10.519 -7.657 1.00 0.00 C ATOM 0 H TRP A 13 1.297 -3.733 -9.269 1.00 0.00 H new ATOM 0 HA TRP A 13 1.381 -5.291 -6.847 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.267 -4.774 -9.164 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.771 -5.705 -7.768 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.769 -6.000 -10.963 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.850 -8.403 -11.238 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.848 -7.754 -6.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.635 -10.707 -9.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.255 -10.078 -5.730 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.164 -11.535 -7.387 1.00 0.00 H new ATOM 166 N LEU A 14 2.887 -4.048 -5.310 1.00 0.00 N ATOM 167 CA LEU A 14 3.624 -3.239 -4.346 1.00 0.00 C ATOM 168 C LEU A 14 4.316 -4.121 -3.311 1.00 0.00 C ATOM 169 O LEU A 14 3.749 -5.111 -2.845 1.00 0.00 O ATOM 170 CB LEU A 14 2.682 -2.257 -3.648 1.00 0.00 C ATOM 171 CG LEU A 14 1.772 -1.435 -4.562 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.778 -0.629 -3.740 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.598 -0.518 -5.452 1.00 0.00 C ATOM 0 H LEU A 14 2.505 -4.914 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 14 4.387 -2.679 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.056 -2.817 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.283 -1.569 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 14 1.214 -2.121 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.139 -0.050 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.164 -1.306 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.318 0.048 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.934 0.059 -6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.183 0.161 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.270 -1.117 -6.067 1.00 0.00 H new ATOM 185 N LEU A 15 5.541 -3.754 -2.954 1.00 0.00 N ATOM 186 CA LEU A 15 6.310 -4.511 -1.971 1.00 0.00 C ATOM 187 C LEU A 15 5.947 -4.086 -0.552 1.00 0.00 C ATOM 188 O LEU A 15 6.035 -2.908 -0.204 1.00 0.00 O ATOM 189 CB LEU A 15 7.809 -4.315 -2.207 1.00 0.00 C ATOM 190 CG LEU A 15 8.297 -4.530 -3.640 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.578 -3.750 -3.891 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.510 -6.012 -3.914 1.00 0.00 C ATOM 0 H LEU A 15 6.024 -2.938 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 15 6.065 -5.567 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.075 -3.303 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.352 -4.998 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 15 7.532 -4.161 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.910 -3.916 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.393 -2.687 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.351 -4.088 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.857 -6.146 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.256 -6.406 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.570 -6.546 -3.777 1.00 0.00 H new ATOM 204 N ARG A 16 5.542 -5.053 0.264 1.00 0.00 N ATOM 205 CA ARG A 16 5.167 -4.780 1.646 1.00 0.00 C ATOM 206 C ARG A 16 6.158 -5.419 2.615 1.00 0.00 C ATOM 207 O ARG A 16 6.504 -6.592 2.479 1.00 0.00 O ATOM 208 CB ARG A 16 3.756 -5.300 1.927 1.00 0.00 C ATOM 209 CG ARG A 16 3.129 -4.715 3.182 1.00 0.00 C ATOM 210 CD ARG A 16 1.875 -5.475 3.585 1.00 0.00 C ATOM 211 NE ARG A 16 2.180 -6.622 4.436 1.00 0.00 N ATOM 212 CZ ARG A 16 2.403 -6.530 5.742 1.00 0.00 C ATOM 213 NH1 ARG A 16 2.355 -5.350 6.344 1.00 0.00 N ATOM 214 NH2 ARG A 16 2.675 -7.620 6.448 1.00 0.00 N ATOM 0 H ARG A 16 5.465 -6.033 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 16 5.185 -3.700 1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.118 -5.073 1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.790 -6.385 2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.851 -4.744 3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.882 -3.667 3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.197 -4.803 4.112 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.354 -5.816 2.690 1.00 0.00 H new ATOM 0 HE ARG A 16 2.224 -7.545 4.003 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.146 -4.510 5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.527 -5.282 7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.713 -8.529 5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.846 -7.548 7.451 1.00 0.00 H new ATOM 228 N GLN A 17 6.610 -4.638 3.591 1.00 0.00 N ATOM 229 CA GLN A 17 7.562 -5.128 4.581 1.00 0.00 C ATOM 230 C GLN A 17 6.844 -5.862 5.710 1.00 0.00 C ATOM 231 O GLN A 17 6.357 -5.242 6.655 1.00 0.00 O ATOM 232 CB GLN A 17 8.380 -3.968 5.150 1.00 0.00 C ATOM 233 CG GLN A 17 9.720 -4.394 5.728 1.00 0.00 C ATOM 234 CD GLN A 17 10.542 -3.221 6.223 1.00 0.00 C ATOM 235 OE1 GLN A 17 10.285 -2.676 7.297 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.539 -2.825 5.440 1.00 0.00 N ATOM 0 H GLN A 17 6.333 -3.665 3.717 1.00 0.00 H new ATOM 0 HA GLN A 17 8.234 -5.829 4.086 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.550 -3.234 4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.799 -3.472 5.928 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.552 -5.088 6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.285 -4.933 4.967 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.717 -3.306 4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.127 -2.040 5.721 1.00 0.00 H new ATOM 245 N SER A 18 6.783 -7.185 5.604 1.00 0.00 N ATOM 246 CA SER A 18 6.121 -8.003 6.614 1.00 0.00 C ATOM 247 C SER A 18 6.848 -7.908 7.952 1.00 0.00 C ATOM 248 O SER A 18 7.913 -7.298 8.052 1.00 0.00 O ATOM 249 CB SER A 18 6.058 -9.462 6.157 1.00 0.00 C ATOM 250 OG SER A 18 4.924 -9.692 5.339 1.00 0.00 O ATOM 0 H SER A 18 7.184 -7.714 4.829 1.00 0.00 H new ATOM 0 HA SER A 18 5.107 -7.626 6.744 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.964 -9.713 5.606 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.022 -10.118 7.027 1.00 0.00 H new ATOM 0 HG SER A 18 4.908 -10.631 5.059 1.00 0.00 H new ATOM 256 N THR A 19 6.264 -8.515 8.980 1.00 0.00 N ATOM 257 CA THR A 19 6.853 -8.499 10.313 1.00 0.00 C ATOM 258 C THR A 19 7.644 -9.774 10.580 1.00 0.00 C ATOM 259 O THR A 19 8.574 -9.781 11.388 1.00 0.00 O ATOM 260 CB THR A 19 5.776 -8.339 11.402 1.00 0.00 C ATOM 261 OG1 THR A 19 4.896 -9.468 11.390 1.00 0.00 O ATOM 262 CG2 THR A 19 4.974 -7.063 11.187 1.00 0.00 C ATOM 0 H THR A 19 5.383 -9.024 8.915 1.00 0.00 H new ATOM 0 HA THR A 19 7.526 -7.642 10.350 1.00 0.00 H new ATOM 0 HB THR A 19 6.275 -8.278 12.369 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.215 -9.359 12.086 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.219 -6.972 11.968 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.642 -6.203 11.225 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.485 -7.100 10.213 1.00 0.00 H new ATOM 270 N ILE A 20 7.270 -10.850 9.896 1.00 0.00 N ATOM 271 CA ILE A 20 7.947 -12.131 10.060 1.00 0.00 C ATOM 272 C ILE A 20 9.125 -12.256 9.100 1.00 0.00 C ATOM 273 O ILE A 20 10.267 -12.442 9.522 1.00 0.00 O ATOM 274 CB ILE A 20 6.983 -13.310 9.828 1.00 0.00 C ATOM 275 CG1 ILE A 20 6.010 -13.439 11.001 1.00 0.00 C ATOM 276 CG2 ILE A 20 7.764 -14.602 9.636 1.00 0.00 C ATOM 277 CD1 ILE A 20 4.711 -14.125 10.637 1.00 0.00 C ATOM 0 H ILE A 20 6.503 -10.861 9.224 1.00 0.00 H new ATOM 0 HA ILE A 20 8.312 -12.167 11.086 1.00 0.00 H new ATOM 0 HB ILE A 20 6.408 -13.118 8.922 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.493 -13.996 11.804 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.790 -12.445 11.391 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.070 -15.426 9.473 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.421 -14.505 8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.362 -14.802 10.525 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.070 -14.181 11.517 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.206 -13.557 9.856 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.920 -15.132 10.275 1.00 0.00 H new ATOM 289 N LEU A 21 8.841 -12.152 7.806 1.00 0.00 N ATOM 290 CA LEU A 21 9.878 -12.252 6.785 1.00 0.00 C ATOM 291 C LEU A 21 10.862 -11.092 6.893 1.00 0.00 C ATOM 292 O LEU A 21 11.950 -11.130 6.317 1.00 0.00 O ATOM 293 CB LEU A 21 9.248 -12.274 5.391 1.00 0.00 C ATOM 294 CG LEU A 21 8.524 -13.563 5.002 1.00 0.00 C ATOM 295 CD1 LEU A 21 7.386 -13.266 4.037 1.00 0.00 C ATOM 296 CD2 LEU A 21 9.499 -14.558 4.389 1.00 0.00 C ATOM 0 H LEU A 21 7.902 -11.999 7.439 1.00 0.00 H new ATOM 0 HA LEU A 21 10.423 -13.182 6.945 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.540 -11.448 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.031 -12.085 4.657 1.00 0.00 H new ATOM 0 HG LEU A 21 8.102 -14.006 5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.882 -14.195 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.674 -12.590 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.785 -12.799 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.966 -15.470 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.950 -14.123 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.280 -14.795 5.112 1.00 0.00 H new ATOM 308 N LYS A 22 10.474 -10.061 7.636 1.00 0.00 N ATOM 309 CA LYS A 22 11.322 -8.890 7.823 1.00 0.00 C ATOM 310 C LYS A 22 12.035 -8.521 6.526 1.00 0.00 C ATOM 311 O LYS A 22 13.258 -8.377 6.499 1.00 0.00 O ATOM 312 CB LYS A 22 12.350 -9.150 8.927 1.00 0.00 C ATOM 313 CG LYS A 22 11.830 -8.857 10.324 1.00 0.00 C ATOM 314 CD LYS A 22 11.824 -7.366 10.615 1.00 0.00 C ATOM 315 CE LYS A 22 11.796 -7.091 12.111 1.00 0.00 C ATOM 316 NZ LYS A 22 13.119 -7.343 12.746 1.00 0.00 N ATOM 0 H LYS A 22 9.577 -10.013 8.119 1.00 0.00 H new ATOM 0 HA LYS A 22 10.686 -8.055 8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.668 -10.191 8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.233 -8.538 8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.820 -9.253 10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.450 -9.370 11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.708 -6.905 10.176 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.956 -6.905 10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.501 -6.056 12.285 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.041 -7.721 12.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.120 -6.956 13.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.297 -8.367 12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.866 -6.882 12.188 1.00 0.00 H new ATOM 330 N ARG A 23 11.264 -8.369 5.455 1.00 0.00 N ATOM 331 CA ARG A 23 11.823 -8.017 4.155 1.00 0.00 C ATOM 332 C ARG A 23 10.725 -7.571 3.194 1.00 0.00 C ATOM 333 O ARG A 23 9.541 -7.799 3.440 1.00 0.00 O ATOM 334 CB ARG A 23 12.582 -9.206 3.563 1.00 0.00 C ATOM 335 CG ARG A 23 11.676 -10.262 2.951 1.00 0.00 C ATOM 336 CD ARG A 23 12.479 -11.415 2.369 1.00 0.00 C ATOM 337 NE ARG A 23 11.624 -12.527 1.961 1.00 0.00 N ATOM 338 CZ ARG A 23 12.082 -13.635 1.390 1.00 0.00 C ATOM 339 NH1 ARG A 23 13.380 -13.779 1.161 1.00 0.00 N ATOM 340 NH2 ARG A 23 11.241 -14.602 1.046 1.00 0.00 N ATOM 0 H ARG A 23 10.251 -8.484 5.461 1.00 0.00 H new ATOM 0 HA ARG A 23 12.516 -7.188 4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.271 -8.843 2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.186 -9.666 4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.992 -10.640 3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.066 -9.811 2.169 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.049 -11.062 1.510 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.200 -11.764 3.108 1.00 0.00 H new ATOM 0 HE ARG A 23 10.620 -12.448 2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.030 -13.038 1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.729 -14.631 0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.242 -14.495 1.220 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.594 -15.453 0.607 1.00 0.00 H new ATOM 354 N TRP A 24 11.127 -6.934 2.100 1.00 0.00 N ATOM 355 CA TRP A 24 10.177 -6.455 1.102 1.00 0.00 C ATOM 356 C TRP A 24 9.674 -7.604 0.235 1.00 0.00 C ATOM 357 O TRP A 24 10.435 -8.200 -0.527 1.00 0.00 O ATOM 358 CB TRP A 24 10.825 -5.383 0.224 1.00 0.00 C ATOM 359 CG TRP A 24 11.164 -4.129 0.972 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.373 -3.803 1.518 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.284 -3.036 1.256 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.297 -2.572 2.125 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.027 -2.081 1.977 1.00 0.00 C ATOM 364 CE3 TRP A 24 8.943 -2.770 0.969 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.470 -0.882 2.416 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.392 -1.580 1.405 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.154 -0.648 2.121 1.00 0.00 C ATOM 0 H TRP A 24 12.104 -6.737 1.881 1.00 0.00 H new ATOM 0 HA TRP A 24 9.326 -6.020 1.626 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.733 -5.789 -0.222 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.150 -5.138 -0.596 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.258 -4.421 1.479 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.062 -2.101 2.607 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.348 -3.482 0.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.056 -0.163 2.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.356 -1.365 1.190 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.694 0.273 2.447 1.00 0.00 H new ATOM 378 N LYS A 25 8.386 -7.910 0.354 1.00 0.00 N ATOM 379 CA LYS A 25 7.780 -8.986 -0.420 1.00 0.00 C ATOM 380 C LYS A 25 6.711 -8.443 -1.363 1.00 0.00 C ATOM 381 O LYS A 25 5.866 -7.641 -0.965 1.00 0.00 O ATOM 382 CB LYS A 25 7.166 -10.031 0.515 1.00 0.00 C ATOM 383 CG LYS A 25 5.888 -9.567 1.190 1.00 0.00 C ATOM 384 CD LYS A 25 5.328 -10.634 2.117 1.00 0.00 C ATOM 385 CE LYS A 25 4.980 -11.905 1.357 1.00 0.00 C ATOM 386 NZ LYS A 25 4.001 -12.745 2.102 1.00 0.00 N ATOM 0 H LYS A 25 7.742 -7.427 0.980 1.00 0.00 H new ATOM 0 HA LYS A 25 8.562 -9.455 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.958 -10.937 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.896 -10.295 1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.085 -8.657 1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.146 -9.316 0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.057 -10.862 2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.438 -10.252 2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.567 -11.644 0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.888 -12.480 1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.789 -13.602 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.404 -13.015 3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.125 -12.205 2.253 1.00 0.00 H new ATOM 400 N LYS A 26 6.753 -8.886 -2.615 1.00 0.00 N ATOM 401 CA LYS A 26 5.788 -8.446 -3.615 1.00 0.00 C ATOM 402 C LYS A 26 4.376 -8.885 -3.238 1.00 0.00 C ATOM 403 O LYS A 26 4.143 -10.050 -2.918 1.00 0.00 O ATOM 404 CB LYS A 26 6.157 -9.006 -4.991 1.00 0.00 C ATOM 405 CG LYS A 26 5.739 -8.111 -6.144 1.00 0.00 C ATOM 406 CD LYS A 26 6.681 -8.249 -7.328 1.00 0.00 C ATOM 407 CE LYS A 26 6.221 -9.341 -8.282 1.00 0.00 C ATOM 408 NZ LYS A 26 6.699 -10.686 -7.859 1.00 0.00 N ATOM 0 H LYS A 26 7.446 -9.550 -2.961 1.00 0.00 H new ATOM 0 HA LYS A 26 5.813 -7.357 -3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.235 -9.160 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.690 -9.983 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.725 -8.365 -6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.721 -7.073 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.739 -7.300 -7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.685 -8.476 -6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.132 -9.343 -8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.588 -9.125 -9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.482 -11.381 -8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.727 -10.656 -7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.223 -10.962 -6.977 1.00 0.00 H new ATOM 422 N ASN A 27 3.438 -7.945 -3.280 1.00 0.00 N ATOM 423 CA ASN A 27 2.049 -8.235 -2.944 1.00 0.00 C ATOM 424 C ASN A 27 1.098 -7.558 -3.927 1.00 0.00 C ATOM 425 O ASN A 27 1.526 -6.802 -4.799 1.00 0.00 O ATOM 426 CB ASN A 27 1.741 -7.773 -1.518 1.00 0.00 C ATOM 427 CG ASN A 27 2.565 -8.510 -0.481 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.364 -7.907 0.237 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.376 -9.822 -0.397 1.00 0.00 N ATOM 0 H ASN A 27 3.614 -6.976 -3.543 1.00 0.00 H new ATOM 0 HA ASN A 27 1.903 -9.313 -3.009 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.932 -6.703 -1.436 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.682 -7.924 -1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.903 -10.371 0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.704 -10.281 -1.012 1.00 0.00 H new ATOM 436 N TRP A 28 -0.192 -7.835 -3.778 1.00 0.00 N ATOM 437 CA TRP A 28 -1.204 -7.252 -4.652 1.00 0.00 C ATOM 438 C TRP A 28 -2.175 -6.385 -3.858 1.00 0.00 C ATOM 439 O TRP A 28 -2.949 -6.889 -3.044 1.00 0.00 O ATOM 440 CB TRP A 28 -1.969 -8.355 -5.387 1.00 0.00 C ATOM 441 CG TRP A 28 -2.838 -7.838 -6.493 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.183 -8.029 -6.636 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.422 -7.048 -7.612 1.00 0.00 C ATOM 444 NE1 TRP A 28 -4.628 -7.405 -7.777 1.00 0.00 N ATOM 445 CE2 TRP A 28 -3.567 -6.796 -8.393 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.194 -6.528 -8.030 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -3.517 -6.047 -9.566 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.146 -5.786 -9.195 1.00 0.00 C ATOM 449 CH2 TRP A 28 -2.302 -5.550 -9.951 1.00 0.00 C ATOM 0 H TRP A 28 -0.562 -8.459 -3.061 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.698 -6.621 -5.383 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.256 -9.070 -5.798 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.587 -8.897 -4.672 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.805 -8.588 -5.953 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.592 -7.397 -8.111 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.298 -6.703 -7.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.406 -5.865 -10.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.202 -5.381 -9.528 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.232 -4.964 -10.856 1.00 0.00 H new ATOM 460 N PHE A 29 -2.130 -5.079 -4.101 1.00 0.00 N ATOM 461 CA PHE A 29 -3.006 -4.142 -3.408 1.00 0.00 C ATOM 462 C PHE A 29 -4.212 -3.784 -4.271 1.00 0.00 C ATOM 463 O PHE A 29 -4.124 -3.761 -5.499 1.00 0.00 O ATOM 464 CB PHE A 29 -2.236 -2.873 -3.035 1.00 0.00 C ATOM 465 CG PHE A 29 -1.258 -3.073 -1.912 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.018 -3.643 -2.150 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.579 -2.691 -0.620 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.885 -3.828 -1.120 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.681 -2.873 0.414 1.00 0.00 C ATOM 470 CZ PHE A 29 0.552 -3.443 0.164 1.00 0.00 C ATOM 0 H PHE A 29 -1.496 -4.646 -4.773 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.364 -4.623 -2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.700 -2.512 -3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.947 -2.096 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.246 -3.946 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.542 -2.246 -0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.849 -4.273 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.943 -2.570 1.417 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.255 -3.587 0.971 1.00 0.00 H new ATOM 480 N ASP A 30 -5.336 -3.507 -3.620 1.00 0.00 N ATOM 481 CA ASP A 30 -6.560 -3.150 -4.327 1.00 0.00 C ATOM 482 C ASP A 30 -7.480 -2.321 -3.436 1.00 0.00 C ATOM 483 O ASP A 30 -7.991 -2.810 -2.427 1.00 0.00 O ATOM 484 CB ASP A 30 -7.287 -4.409 -4.801 1.00 0.00 C ATOM 485 CG ASP A 30 -6.513 -5.158 -5.867 1.00 0.00 C ATOM 486 OD1 ASP A 30 -6.018 -4.505 -6.809 1.00 0.00 O ATOM 487 OD2 ASP A 30 -6.403 -6.398 -5.761 1.00 0.00 O ATOM 0 H ASP A 30 -5.425 -3.523 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.287 -2.550 -5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.458 -5.068 -3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.266 -4.134 -5.193 1.00 0.00 H new ATOM 492 N LEU A 31 -7.687 -1.064 -3.814 1.00 0.00 N ATOM 493 CA LEU A 31 -8.545 -0.167 -3.048 1.00 0.00 C ATOM 494 C LEU A 31 -10.002 -0.306 -3.480 1.00 0.00 C ATOM 495 O LEU A 31 -10.291 -0.565 -4.648 1.00 0.00 O ATOM 496 CB LEU A 31 -8.086 1.282 -3.223 1.00 0.00 C ATOM 497 CG LEU A 31 -8.596 2.278 -2.181 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.747 2.213 -0.921 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.601 3.689 -2.750 1.00 0.00 C ATOM 0 H LEU A 31 -7.273 -0.643 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.469 -0.442 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.996 1.301 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.400 1.625 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.620 2.009 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.125 2.929 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.794 1.208 -0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.713 2.456 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.967 4.385 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.588 3.968 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.252 3.727 -3.624 1.00 0.00 H new ATOM 511 N TRP A 32 -10.913 -0.130 -2.530 1.00 0.00 N ATOM 512 CA TRP A 32 -12.340 -0.234 -2.813 1.00 0.00 C ATOM 513 C TRP A 32 -12.967 1.147 -2.967 1.00 0.00 C ATOM 514 O TRP A 32 -12.325 2.163 -2.702 1.00 0.00 O ATOM 515 CB TRP A 32 -13.047 -1.006 -1.697 1.00 0.00 C ATOM 516 CG TRP A 32 -12.686 -2.461 -1.661 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.442 -3.000 -1.820 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.580 -3.560 -1.454 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.508 -4.370 -1.725 1.00 0.00 N ATOM 520 CE2 TRP A 32 -12.808 -4.738 -1.500 1.00 0.00 C ATOM 521 CE3 TRP A 32 -14.955 -3.665 -1.233 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.368 -6.002 -1.333 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.510 -4.920 -1.069 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.718 -6.074 -1.119 1.00 0.00 C ATOM 0 H TRP A 32 -10.690 0.085 -1.558 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.460 -0.774 -3.752 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.798 -0.553 -0.737 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.125 -0.909 -1.825 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.539 -2.434 -1.995 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.717 -5.009 -1.809 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.574 -2.781 -1.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.759 -6.893 -1.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.573 -5.012 -0.899 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.182 -7.040 -0.986 1.00 0.00 H new ATOM 535 N SER A 33 -14.224 1.177 -3.398 1.00 0.00 N ATOM 536 CA SER A 33 -14.936 2.435 -3.591 1.00 0.00 C ATOM 537 C SER A 33 -15.272 3.081 -2.250 1.00 0.00 C ATOM 538 O SER A 33 -15.356 4.305 -2.142 1.00 0.00 O ATOM 539 CB SER A 33 -16.218 2.203 -4.393 1.00 0.00 C ATOM 540 OG SER A 33 -16.778 3.430 -4.828 1.00 0.00 O ATOM 0 H SER A 33 -14.770 0.345 -3.620 1.00 0.00 H new ATOM 0 HA SER A 33 -14.285 3.110 -4.147 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.002 1.573 -5.256 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.942 1.667 -3.780 1.00 0.00 H new ATOM 0 HG SER A 33 -17.595 3.254 -5.339 1.00 0.00 H new ATOM 546 N ASP A 34 -15.462 2.250 -1.232 1.00 0.00 N ATOM 547 CA ASP A 34 -15.788 2.738 0.103 1.00 0.00 C ATOM 548 C ASP A 34 -14.523 3.127 0.863 1.00 0.00 C ATOM 549 O ASP A 34 -14.570 3.419 2.057 1.00 0.00 O ATOM 550 CB ASP A 34 -16.560 1.674 0.884 1.00 0.00 C ATOM 551 CG ASP A 34 -17.845 1.265 0.191 1.00 0.00 C ATOM 552 OD1 ASP A 34 -17.765 0.605 -0.866 1.00 0.00 O ATOM 553 OD2 ASP A 34 -18.930 1.605 0.706 1.00 0.00 O ATOM 0 H ASP A 34 -15.396 1.235 -1.305 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.414 3.624 -0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.928 0.796 1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.792 2.055 1.879 1.00 0.00 H new ATOM 558 N GLY A 35 -13.393 3.126 0.162 1.00 0.00 N ATOM 559 CA GLY A 35 -12.132 3.479 0.787 1.00 0.00 C ATOM 560 C GLY A 35 -11.381 2.267 1.301 1.00 0.00 C ATOM 561 O GLY A 35 -10.150 2.232 1.272 1.00 0.00 O ATOM 0 H GLY A 35 -13.329 2.887 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.509 4.010 0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.319 4.164 1.614 1.00 0.00 H new ATOM 565 N HIS A 36 -12.122 1.271 1.776 1.00 0.00 N ATOM 566 CA HIS A 36 -11.518 0.052 2.301 1.00 0.00 C ATOM 567 C HIS A 36 -10.434 -0.466 1.360 1.00 0.00 C ATOM 568 O HIS A 36 -10.630 -0.530 0.146 1.00 0.00 O ATOM 569 CB HIS A 36 -12.586 -1.023 2.509 1.00 0.00 C ATOM 570 CG HIS A 36 -13.262 -0.945 3.843 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.531 -0.434 4.015 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.839 -1.320 5.073 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.859 -0.495 5.293 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.850 -1.030 5.957 1.00 0.00 N ATOM 0 H HIS A 36 -13.141 1.284 1.808 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.059 0.288 3.261 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.337 -0.934 1.724 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.127 -2.006 2.400 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.885 -1.764 5.314 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.793 -0.164 5.722 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.825 -1.200 6.962 1.00 0.00 H new ATOM 583 N LEU A 37 -9.291 -0.835 1.928 1.00 0.00 N ATOM 584 CA LEU A 37 -8.175 -1.347 1.140 1.00 0.00 C ATOM 585 C LEU A 37 -7.857 -2.789 1.521 1.00 0.00 C ATOM 586 O LEU A 37 -7.698 -3.110 2.699 1.00 0.00 O ATOM 587 CB LEU A 37 -6.939 -0.469 1.341 1.00 0.00 C ATOM 588 CG LEU A 37 -5.627 -1.020 0.780 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.604 -0.903 -0.736 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.439 -0.291 1.391 1.00 0.00 C ATOM 0 H LEU A 37 -9.113 -0.789 2.931 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.462 -1.324 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.128 0.501 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.810 -0.296 2.410 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.556 -2.075 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.663 -1.300 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.434 -1.470 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.698 0.145 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.514 -0.696 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.505 0.772 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.446 -0.426 2.473 1.00 0.00 H new ATOM 602 N ILE A 38 -7.763 -3.653 0.516 1.00 0.00 N ATOM 603 CA ILE A 38 -7.460 -5.060 0.745 1.00 0.00 C ATOM 604 C ILE A 38 -6.411 -5.564 -0.241 1.00 0.00 C ATOM 605 O ILE A 38 -6.513 -5.329 -1.445 1.00 0.00 O ATOM 606 CB ILE A 38 -8.722 -5.935 0.626 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.848 -5.364 1.491 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.413 -7.369 1.029 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.194 -6.001 1.227 1.00 0.00 C ATOM 0 H ILE A 38 -7.892 -3.403 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.069 -5.137 1.760 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.050 -5.933 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.592 -5.498 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.922 -4.291 1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.315 -7.974 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.639 -7.772 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.063 -7.390 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.944 -5.548 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.472 -5.845 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.137 -7.070 1.431 1.00 0.00 H new ATOM 621 N TYR A 39 -5.406 -6.260 0.278 1.00 0.00 N ATOM 622 CA TYR A 39 -4.337 -6.797 -0.556 1.00 0.00 C ATOM 623 C TYR A 39 -4.271 -8.318 -0.444 1.00 0.00 C ATOM 624 O TYR A 39 -4.774 -8.903 0.515 1.00 0.00 O ATOM 625 CB TYR A 39 -2.993 -6.186 -0.156 1.00 0.00 C ATOM 626 CG TYR A 39 -2.847 -5.966 1.332 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.511 -4.925 1.969 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.045 -6.800 2.102 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.379 -4.720 3.329 1.00 0.00 C ATOM 630 CE2 TYR A 39 -1.909 -6.603 3.463 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.577 -5.562 4.071 1.00 0.00 C ATOM 632 OH TYR A 39 -2.445 -5.361 5.426 1.00 0.00 O ATOM 0 H TYR A 39 -5.309 -6.466 1.272 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.553 -6.536 -1.592 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.190 -6.839 -0.499 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.870 -5.233 -0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.141 -4.265 1.391 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.519 -7.616 1.629 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.901 -3.905 3.808 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.283 -7.261 4.047 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.847 -6.041 5.801 1.00 0.00 H new ATOM 642 N TYR A 40 -3.646 -8.950 -1.431 1.00 0.00 N ATOM 643 CA TYR A 40 -3.514 -10.402 -1.445 1.00 0.00 C ATOM 644 C TYR A 40 -2.052 -10.815 -1.584 1.00 0.00 C ATOM 645 O TYR A 40 -1.171 -9.972 -1.754 1.00 0.00 O ATOM 646 CB TYR A 40 -4.335 -10.998 -2.590 1.00 0.00 C ATOM 647 CG TYR A 40 -5.746 -10.460 -2.668 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.777 -11.052 -1.950 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.048 -9.359 -3.461 1.00 0.00 C ATOM 650 CE1 TYR A 40 -8.068 -10.564 -2.019 1.00 0.00 C ATOM 651 CE2 TYR A 40 -7.335 -8.864 -3.534 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.341 -9.470 -2.812 1.00 0.00 C ATOM 653 OH TYR A 40 -9.625 -8.980 -2.883 1.00 0.00 O ATOM 0 H TYR A 40 -3.223 -8.480 -2.231 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.892 -10.785 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.826 -10.798 -3.533 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.374 -12.081 -2.472 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.566 -11.909 -1.327 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.263 -8.883 -4.030 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.858 -11.037 -1.455 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.552 -8.006 -4.154 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.647 -8.206 -3.484 1.00 0.00 H new ATOM 663 N ASP A 41 -1.803 -12.118 -1.511 1.00 0.00 N ATOM 664 CA ASP A 41 -0.448 -12.645 -1.630 1.00 0.00 C ATOM 665 C ASP A 41 0.034 -12.583 -3.076 1.00 0.00 C ATOM 666 O ASP A 41 1.232 -12.478 -3.337 1.00 0.00 O ATOM 667 CB ASP A 41 -0.393 -14.087 -1.122 1.00 0.00 C ATOM 668 CG ASP A 41 1.015 -14.520 -0.764 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.957 -14.128 -1.483 1.00 0.00 O ATOM 670 OD2 ASP A 41 1.174 -15.253 0.235 1.00 0.00 O ATOM 0 H ASP A 41 -2.521 -12.828 -1.370 1.00 0.00 H new ATOM 0 HA ASP A 41 0.211 -12.027 -1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.034 -14.186 -0.246 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.792 -14.754 -1.886 1.00 0.00 H new ATOM 675 N ASP A 42 -0.907 -12.651 -4.011 1.00 0.00 N ATOM 676 CA ASP A 42 -0.579 -12.603 -5.431 1.00 0.00 C ATOM 677 C ASP A 42 -1.809 -12.251 -6.262 1.00 0.00 C ATOM 678 O ASP A 42 -2.876 -11.970 -5.718 1.00 0.00 O ATOM 679 CB ASP A 42 -0.005 -13.944 -5.890 1.00 0.00 C ATOM 680 CG ASP A 42 1.147 -14.409 -5.020 1.00 0.00 C ATOM 681 OD1 ASP A 42 2.245 -13.822 -5.126 1.00 0.00 O ATOM 682 OD2 ASP A 42 0.951 -15.358 -4.233 1.00 0.00 O ATOM 0 H ASP A 42 -1.903 -12.740 -3.811 1.00 0.00 H new ATOM 0 HA ASP A 42 0.171 -11.826 -5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.793 -14.697 -5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.335 -13.856 -6.922 1.00 0.00 H new ATOM 687 N GLN A 43 -1.651 -12.269 -7.582 1.00 0.00 N ATOM 688 CA GLN A 43 -2.749 -11.951 -8.487 1.00 0.00 C ATOM 689 C GLN A 43 -3.735 -13.111 -8.576 1.00 0.00 C ATOM 690 O GLN A 43 -4.120 -13.530 -9.668 1.00 0.00 O ATOM 691 CB GLN A 43 -2.209 -11.616 -9.878 1.00 0.00 C ATOM 692 CG GLN A 43 -1.802 -12.840 -10.684 1.00 0.00 C ATOM 693 CD GLN A 43 -1.327 -13.983 -9.808 1.00 0.00 C ATOM 694 OE1 GLN A 43 -0.135 -13.839 -9.242 1.00 0.00 O flip ATOM 695 NE2 GLN A 43 -2.025 -14.984 -9.642 1.00 0.00 N flip ATOM 0 H GLN A 43 -0.774 -12.500 -8.048 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.275 -11.082 -8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.969 -11.064 -10.430 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.348 -10.956 -9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.649 -13.174 -11.283 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.008 -12.566 -11.379 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.935 -15.052 -10.097 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.693 -15.745 -9.050 1.00 0.00 H new ATOM 704 N THR A 44 -4.140 -13.626 -7.419 1.00 0.00 N ATOM 705 CA THR A 44 -5.080 -14.739 -7.367 1.00 0.00 C ATOM 706 C THR A 44 -6.362 -14.342 -6.643 1.00 0.00 C ATOM 707 O THR A 44 -7.429 -14.900 -6.899 1.00 0.00 O ATOM 708 CB THR A 44 -4.464 -15.962 -6.662 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.745 -15.545 -5.496 1.00 0.00 O ATOM 710 CG2 THR A 44 -3.529 -16.713 -7.599 1.00 0.00 C ATOM 0 H THR A 44 -3.832 -13.290 -6.506 1.00 0.00 H new ATOM 0 HA THR A 44 -5.315 -15.003 -8.398 1.00 0.00 H new ATOM 0 HB THR A 44 -5.274 -16.631 -6.369 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.358 -16.329 -5.053 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.106 -17.573 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.086 -17.055 -8.472 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.725 -16.050 -7.918 1.00 0.00 H new ATOM 718 N ARG A 45 -6.250 -13.375 -5.738 1.00 0.00 N ATOM 719 CA ARG A 45 -7.400 -12.904 -4.977 1.00 0.00 C ATOM 720 C ARG A 45 -8.077 -14.059 -4.244 1.00 0.00 C ATOM 721 O ARG A 45 -9.301 -14.095 -4.121 1.00 0.00 O ATOM 722 CB ARG A 45 -8.404 -12.215 -5.903 1.00 0.00 C ATOM 723 CG ARG A 45 -7.987 -10.814 -6.320 1.00 0.00 C ATOM 724 CD ARG A 45 -9.097 -10.105 -7.079 1.00 0.00 C ATOM 725 NE ARG A 45 -8.576 -9.080 -7.979 1.00 0.00 N ATOM 726 CZ ARG A 45 -9.304 -8.490 -8.922 1.00 0.00 C ATOM 727 NH1 ARG A 45 -10.577 -8.823 -9.086 1.00 0.00 N ATOM 728 NH2 ARG A 45 -8.758 -7.566 -9.702 1.00 0.00 N ATOM 0 H ARG A 45 -5.374 -12.903 -5.514 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.045 -12.185 -4.238 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.540 -12.825 -6.796 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.371 -12.163 -5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.721 -10.234 -5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.096 -10.869 -6.945 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.668 -10.835 -7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.787 -9.648 -6.369 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.600 -8.801 -7.879 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.000 -9.533 -8.488 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.134 -8.369 -9.810 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.779 -7.308 -9.578 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.317 -7.114 -10.425 1.00 0.00 H new ATOM 742 N GLN A 46 -7.271 -14.999 -3.761 1.00 0.00 N ATOM 743 CA GLN A 46 -7.793 -16.156 -3.042 1.00 0.00 C ATOM 744 C GLN A 46 -7.230 -16.216 -1.626 1.00 0.00 C ATOM 745 O GLN A 46 -7.882 -16.715 -0.709 1.00 0.00 O ATOM 746 CB GLN A 46 -7.455 -17.445 -3.793 1.00 0.00 C ATOM 747 CG GLN A 46 -6.002 -17.868 -3.652 1.00 0.00 C ATOM 748 CD GLN A 46 -5.678 -19.117 -4.447 1.00 0.00 C ATOM 749 OE1 GLN A 46 -5.902 -19.061 -5.755 1.00 0.00 O flip ATOM 750 NE2 GLN A 46 -5.232 -20.122 -3.893 1.00 0.00 N flip ATOM 0 H GLN A 46 -6.255 -14.983 -3.854 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.876 -16.054 -2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.095 -18.247 -3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.685 -17.311 -4.850 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.357 -17.054 -3.983 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.779 -18.044 -2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.075 -20.122 -2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.019 -20.955 -4.442 1.00 0.00 H new ATOM 759 N SER A 47 -6.015 -15.704 -1.456 1.00 0.00 N ATOM 760 CA SER A 47 -5.362 -15.703 -0.152 1.00 0.00 C ATOM 761 C SER A 47 -5.387 -14.309 0.467 1.00 0.00 C ATOM 762 O SER A 47 -4.349 -13.662 0.607 1.00 0.00 O ATOM 763 CB SER A 47 -3.918 -16.191 -0.281 1.00 0.00 C ATOM 764 OG SER A 47 -3.462 -16.764 0.932 1.00 0.00 O ATOM 0 H SER A 47 -5.463 -15.285 -2.204 1.00 0.00 H new ATOM 0 HA SER A 47 -5.910 -16.381 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.850 -16.927 -1.082 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.273 -15.357 -0.558 1.00 0.00 H new ATOM 0 HG SER A 47 -2.537 -17.069 0.822 1.00 0.00 H new ATOM 770 N ILE A 48 -6.579 -13.854 0.837 1.00 0.00 N ATOM 771 CA ILE A 48 -6.740 -12.537 1.442 1.00 0.00 C ATOM 772 C ILE A 48 -5.696 -12.301 2.528 1.00 0.00 C ATOM 773 O ILE A 48 -5.901 -12.659 3.687 1.00 0.00 O ATOM 774 CB ILE A 48 -8.145 -12.364 2.048 1.00 0.00 C ATOM 775 CG1 ILE A 48 -9.216 -12.555 0.973 1.00 0.00 C ATOM 776 CG2 ILE A 48 -8.276 -10.995 2.698 1.00 0.00 C ATOM 777 CD1 ILE A 48 -10.561 -12.969 1.526 1.00 0.00 C ATOM 0 H ILE A 48 -7.448 -14.378 0.729 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.605 -11.804 0.646 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.290 -13.124 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -9.332 -11.624 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.876 -13.309 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.274 -10.888 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.533 -10.895 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -8.114 -10.220 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.271 -13.086 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.460 -13.916 2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.923 -12.204 2.213 1.00 0.00 H new ATOM 789 N GLU A 49 -4.578 -11.693 2.144 1.00 0.00 N ATOM 790 CA GLU A 49 -3.502 -11.408 3.087 1.00 0.00 C ATOM 791 C GLU A 49 -4.036 -10.680 4.318 1.00 0.00 C ATOM 792 O GLU A 49 -3.905 -11.162 5.443 1.00 0.00 O ATOM 793 CB GLU A 49 -2.415 -10.566 2.415 1.00 0.00 C ATOM 794 CG GLU A 49 -1.329 -11.395 1.750 1.00 0.00 C ATOM 795 CD GLU A 49 -0.608 -12.304 2.726 1.00 0.00 C ATOM 796 OE1 GLU A 49 -0.167 -11.807 3.784 1.00 0.00 O ATOM 797 OE2 GLU A 49 -0.485 -13.511 2.433 1.00 0.00 O ATOM 0 H GLU A 49 -4.394 -11.389 1.188 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.072 -12.357 3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.877 -9.921 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.958 -9.915 3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.772 -11.998 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.607 -10.729 1.278 1.00 0.00 H new ATOM 804 N ASP A 50 -4.638 -9.517 4.095 1.00 0.00 N ATOM 805 CA ASP A 50 -5.193 -8.722 5.184 1.00 0.00 C ATOM 806 C ASP A 50 -6.092 -7.614 4.645 1.00 0.00 C ATOM 807 O ASP A 50 -6.221 -7.438 3.433 1.00 0.00 O ATOM 808 CB ASP A 50 -4.069 -8.119 6.027 1.00 0.00 C ATOM 809 CG ASP A 50 -4.485 -7.888 7.467 1.00 0.00 C ATOM 810 OD1 ASP A 50 -5.391 -8.601 7.945 1.00 0.00 O ATOM 811 OD2 ASP A 50 -3.903 -6.993 8.116 1.00 0.00 O ATOM 0 H ASP A 50 -4.754 -9.104 3.170 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.795 -9.380 5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.205 -8.783 6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.756 -7.173 5.586 1.00 0.00 H new ATOM 816 N LYS A 51 -6.713 -6.868 5.553 1.00 0.00 N ATOM 817 CA LYS A 51 -7.600 -5.777 5.170 1.00 0.00 C ATOM 818 C LYS A 51 -7.441 -4.589 6.115 1.00 0.00 C ATOM 819 O LYS A 51 -7.483 -4.744 7.335 1.00 0.00 O ATOM 820 CB LYS A 51 -9.055 -6.251 5.171 1.00 0.00 C ATOM 821 CG LYS A 51 -10.064 -5.116 5.220 1.00 0.00 C ATOM 822 CD LYS A 51 -11.468 -5.630 5.495 1.00 0.00 C ATOM 823 CE LYS A 51 -12.088 -6.250 4.252 1.00 0.00 C ATOM 824 NZ LYS A 51 -13.449 -6.792 4.523 1.00 0.00 N ATOM 0 H LYS A 51 -6.618 -7.000 6.560 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.329 -5.458 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.235 -6.848 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.215 -6.905 6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.777 -4.406 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.052 -4.576 4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.436 -6.370 6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.095 -4.810 5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.146 -5.501 3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.445 -7.050 3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.838 -7.206 3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.391 -7.525 5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.070 -6.024 4.848 1.00 0.00 H new ATOM 838 N VAL A 52 -7.259 -3.404 5.542 1.00 0.00 N ATOM 839 CA VAL A 52 -7.096 -2.190 6.333 1.00 0.00 C ATOM 840 C VAL A 52 -7.783 -1.003 5.667 1.00 0.00 C ATOM 841 O VAL A 52 -7.706 -0.831 4.450 1.00 0.00 O ATOM 842 CB VAL A 52 -5.608 -1.854 6.546 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.442 -0.398 6.953 1.00 0.00 C ATOM 844 CG2 VAL A 52 -4.996 -2.780 7.586 1.00 0.00 C ATOM 0 H VAL A 52 -7.221 -3.259 4.533 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.561 -2.379 7.301 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.081 -2.005 5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.384 -0.179 7.099 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.841 0.247 6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.982 -0.216 7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.944 -2.528 7.724 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.524 -2.664 8.532 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.080 -3.813 7.248 1.00 0.00 H new ATOM 854 N HIS A 53 -8.455 -0.187 6.472 1.00 0.00 N ATOM 855 CA HIS A 53 -9.156 0.986 5.961 1.00 0.00 C ATOM 856 C HIS A 53 -8.214 2.182 5.864 1.00 0.00 C ATOM 857 O HIS A 53 -7.110 2.161 6.407 1.00 0.00 O ATOM 858 CB HIS A 53 -10.344 1.328 6.859 1.00 0.00 C ATOM 859 CG HIS A 53 -11.520 1.880 6.114 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.729 2.159 6.715 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.667 2.207 4.808 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.569 2.632 5.811 1.00 0.00 C ATOM 863 NE2 HIS A 53 -12.949 2.671 4.646 1.00 0.00 N ATOM 0 H HIS A 53 -8.529 -0.316 7.481 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.522 0.753 4.961 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.653 0.431 7.396 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.026 2.054 7.608 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -10.916 2.119 4.037 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.589 2.935 5.994 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.356 2.993 3.768 1.00 0.00 H new ATOM 872 N MET A 54 -8.659 3.224 5.168 1.00 0.00 N ATOM 873 CA MET A 54 -7.855 4.429 5.001 1.00 0.00 C ATOM 874 C MET A 54 -8.336 5.537 5.934 1.00 0.00 C ATOM 875 O MET A 54 -7.663 5.905 6.897 1.00 0.00 O ATOM 876 CB MET A 54 -7.912 4.909 3.550 1.00 0.00 C ATOM 877 CG MET A 54 -6.752 4.415 2.700 1.00 0.00 C ATOM 878 SD MET A 54 -5.150 4.934 3.344 1.00 0.00 S ATOM 879 CE MET A 54 -5.260 6.709 3.136 1.00 0.00 C ATOM 0 H MET A 54 -9.571 3.258 4.711 1.00 0.00 H new ATOM 0 HA MET A 54 -6.823 4.185 5.255 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.848 4.575 3.102 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.923 5.999 3.537 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.783 3.327 2.647 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.868 4.787 1.682 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.286 7.102 2.845 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.991 6.940 2.361 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.570 7.167 4.075 1.00 0.00 H new ATOM 889 N PRO A 55 -9.527 6.081 5.643 1.00 0.00 N ATOM 890 CA PRO A 55 -10.123 7.154 6.445 1.00 0.00 C ATOM 891 C PRO A 55 -10.570 6.670 7.820 1.00 0.00 C ATOM 892 O PRO A 55 -11.121 7.437 8.610 1.00 0.00 O ATOM 893 CB PRO A 55 -11.332 7.589 5.612 1.00 0.00 C ATOM 894 CG PRO A 55 -11.682 6.390 4.799 1.00 0.00 C ATOM 895 CD PRO A 55 -10.383 5.691 4.511 1.00 0.00 C ATOM 0 HA PRO A 55 -9.413 7.957 6.644 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.163 7.892 6.249 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.090 8.441 4.977 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.365 5.736 5.342 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.183 6.678 3.875 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.512 4.610 4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.959 6.008 3.558 1.00 0.00 H new ATOM 903 N VAL A 56 -10.330 5.393 8.100 1.00 0.00 N ATOM 904 CA VAL A 56 -10.706 4.808 9.381 1.00 0.00 C ATOM 905 C VAL A 56 -9.489 4.246 10.107 1.00 0.00 C ATOM 906 O VAL A 56 -9.285 4.508 11.293 1.00 0.00 O ATOM 907 CB VAL A 56 -11.746 3.686 9.202 1.00 0.00 C ATOM 908 CG1 VAL A 56 -11.745 2.759 10.408 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.130 4.275 8.972 1.00 0.00 C ATOM 0 H VAL A 56 -9.877 4.744 7.457 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.144 5.608 9.978 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.475 3.100 8.324 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.486 1.973 10.263 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.758 2.311 10.522 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.990 3.328 11.305 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.853 3.468 8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.412 4.886 9.829 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.118 4.893 8.074 1.00 0.00 H new ATOM 919 N ASP A 57 -8.683 3.473 9.388 1.00 0.00 N ATOM 920 CA ASP A 57 -7.484 2.874 9.963 1.00 0.00 C ATOM 921 C ASP A 57 -6.290 3.814 9.830 1.00 0.00 C ATOM 922 O ASP A 57 -5.525 4.001 10.777 1.00 0.00 O ATOM 923 CB ASP A 57 -7.176 1.540 9.282 1.00 0.00 C ATOM 924 CG ASP A 57 -6.527 0.545 10.223 1.00 0.00 C ATOM 925 OD1 ASP A 57 -7.264 -0.211 10.890 1.00 0.00 O ATOM 926 OD2 ASP A 57 -5.280 0.522 10.293 1.00 0.00 O ATOM 0 H ASP A 57 -8.838 3.246 8.406 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.669 2.697 11.023 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.099 1.115 8.889 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.517 1.714 8.431 1.00 0.00 H new ATOM 931 N CYS A 58 -6.136 4.403 8.649 1.00 0.00 N ATOM 932 CA CYS A 58 -5.033 5.323 8.391 1.00 0.00 C ATOM 933 C CYS A 58 -5.394 6.739 8.826 1.00 0.00 C ATOM 934 O CYS A 58 -6.515 7.200 8.607 1.00 0.00 O ATOM 935 CB CYS A 58 -4.668 5.309 6.906 1.00 0.00 C ATOM 936 SG CYS A 58 -3.530 6.625 6.414 1.00 0.00 S ATOM 0 H CYS A 58 -6.760 4.260 7.855 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.172 4.993 8.972 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.220 4.346 6.662 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.581 5.394 6.317 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.537 6.676 7.252 1.00 0.00 H new ATOM 942 N ILE A 59 -4.438 7.425 9.443 1.00 0.00 N ATOM 943 CA ILE A 59 -4.655 8.789 9.908 1.00 0.00 C ATOM 944 C ILE A 59 -3.683 9.758 9.245 1.00 0.00 C ATOM 945 O ILE A 59 -3.995 10.932 9.053 1.00 0.00 O ATOM 946 CB ILE A 59 -4.503 8.893 11.437 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.337 8.026 11.916 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.795 8.480 12.127 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.928 8.299 13.346 1.00 0.00 C ATOM 0 H ILE A 59 -3.505 7.058 9.632 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.675 9.057 9.633 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.290 9.930 11.696 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.612 6.976 11.820 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.480 8.192 11.264 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.672 8.559 13.207 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.605 9.135 11.805 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.035 7.450 11.863 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.097 7.648 13.617 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.621 9.340 13.444 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.771 8.105 14.009 1.00 0.00 H new ATOM 961 N ASN A 60 -2.502 9.257 8.896 1.00 0.00 N ATOM 962 CA ASN A 60 -1.484 10.078 8.252 1.00 0.00 C ATOM 963 C ASN A 60 -0.805 9.314 7.119 1.00 0.00 C ATOM 964 O ASN A 60 -0.677 8.091 7.172 1.00 0.00 O ATOM 965 CB ASN A 60 -0.440 10.528 9.276 1.00 0.00 C ATOM 966 CG ASN A 60 0.519 11.558 8.710 1.00 0.00 C ATOM 967 OD1 ASN A 60 1.804 11.223 8.691 1.00 0.00 O flip ATOM 968 ND2 ASN A 60 0.109 12.642 8.295 1.00 0.00 N flip ATOM 0 H ASN A 60 -2.227 8.287 9.049 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.974 10.956 7.831 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.946 10.946 10.146 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.124 9.661 9.621 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.887 12.857 8.329 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.766 13.325 7.917 1.00 0.00 H new ATOM 975 N ILE A 61 -0.371 10.044 6.097 1.00 0.00 N ATOM 976 CA ILE A 61 0.296 9.436 4.953 1.00 0.00 C ATOM 977 C ILE A 61 1.681 10.037 4.741 1.00 0.00 C ATOM 978 O ILE A 61 1.854 11.255 4.783 1.00 0.00 O ATOM 979 CB ILE A 61 -0.529 9.608 3.664 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.915 8.980 3.831 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.200 8.987 2.482 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.843 9.246 2.666 1.00 0.00 C ATOM 0 H ILE A 61 -0.470 11.058 6.038 1.00 0.00 H new ATOM 0 HA ILE A 61 0.394 8.373 5.173 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.654 10.673 3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.804 7.903 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.371 9.364 4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.396 9.117 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.166 9.475 2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.353 7.924 2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.806 8.772 2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.984 10.321 2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.408 8.838 1.754 1.00 0.00 H new ATOM 994 N ARG A 62 2.665 9.174 4.510 1.00 0.00 N ATOM 995 CA ARG A 62 4.036 9.619 4.291 1.00 0.00 C ATOM 996 C ARG A 62 4.637 8.942 3.063 1.00 0.00 C ATOM 997 O ARG A 62 4.289 7.808 2.732 1.00 0.00 O ATOM 998 CB ARG A 62 4.895 9.323 5.522 1.00 0.00 C ATOM 999 CG ARG A 62 4.323 9.886 6.813 1.00 0.00 C ATOM 1000 CD ARG A 62 5.411 10.118 7.849 1.00 0.00 C ATOM 1001 NE ARG A 62 4.858 10.449 9.159 1.00 0.00 N ATOM 1002 CZ ARG A 62 5.603 10.700 10.230 1.00 0.00 C ATOM 1003 NH1 ARG A 62 6.925 10.657 10.146 1.00 0.00 N ATOM 1004 NH2 ARG A 62 5.025 10.994 11.388 1.00 0.00 N ATOM 0 H ARG A 62 2.538 8.163 4.470 1.00 0.00 H new ATOM 0 HA ARG A 62 4.019 10.695 4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.008 8.244 5.625 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.892 9.735 5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.810 10.825 6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.579 9.198 7.213 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.029 9.224 7.932 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.062 10.926 7.516 1.00 0.00 H new ATOM 0 HE ARG A 62 3.844 10.490 9.257 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.372 10.431 9.258 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.495 10.850 10.970 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.008 11.027 11.456 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.598 11.187 12.210 1.00 0.00 H new ATOM 1018 N THR A 63 5.543 9.644 2.390 1.00 0.00 N ATOM 1019 CA THR A 63 6.192 9.113 1.198 1.00 0.00 C ATOM 1020 C THR A 63 7.679 9.449 1.185 1.00 0.00 C ATOM 1021 O THR A 63 8.070 10.589 1.429 1.00 0.00 O ATOM 1022 CB THR A 63 5.542 9.660 -0.087 1.00 0.00 C ATOM 1023 OG1 THR A 63 5.139 11.020 0.109 1.00 0.00 O ATOM 1024 CG2 THR A 63 4.338 8.820 -0.484 1.00 0.00 C ATOM 0 H THR A 63 5.844 10.583 2.651 1.00 0.00 H new ATOM 0 HA THR A 63 6.067 8.031 1.227 1.00 0.00 H new ATOM 0 HB THR A 63 6.278 9.612 -0.890 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.840 11.502 0.596 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.896 9.225 -1.394 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.654 7.792 -0.661 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.600 8.840 0.318 1.00 0.00 H new ATOM 1032 N GLY A 64 8.505 8.447 0.897 1.00 0.00 N ATOM 1033 CA GLY A 64 9.940 8.658 0.857 1.00 0.00 C ATOM 1034 C GLY A 64 10.518 8.977 2.222 1.00 0.00 C ATOM 1035 O GLY A 64 10.202 8.312 3.209 1.00 0.00 O ATOM 0 H GLY A 64 8.206 7.494 0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.424 7.766 0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.165 9.474 0.171 1.00 0.00 H new ATOM 1039 N HIS A 65 11.367 9.998 2.279 1.00 0.00 N ATOM 1040 CA HIS A 65 11.991 10.404 3.533 1.00 0.00 C ATOM 1041 C HIS A 65 10.944 10.584 4.628 1.00 0.00 C ATOM 1042 O HIS A 65 11.104 10.084 5.741 1.00 0.00 O ATOM 1043 CB HIS A 65 12.774 11.703 3.341 1.00 0.00 C ATOM 1044 CG HIS A 65 13.907 11.582 2.368 1.00 0.00 C ATOM 1045 ND1 HIS A 65 15.144 11.082 2.713 1.00 0.00 N ATOM 1046 CD2 HIS A 65 13.983 11.899 1.055 1.00 0.00 C ATOM 1047 CE1 HIS A 65 15.934 11.097 1.654 1.00 0.00 C ATOM 1048 NE2 HIS A 65 15.253 11.588 0.634 1.00 0.00 N ATOM 0 H HIS A 65 11.639 10.559 1.472 1.00 0.00 H new ATOM 0 HA HIS A 65 12.679 9.616 3.839 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.092 12.481 2.997 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.167 12.027 4.305 1.00 0.00 H new ATOM 0 HD2 HIS A 65 13.192 12.318 0.450 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.961 10.765 1.627 1.00 0.00 H new ATOM 0 HE2 HIS A 65 15.612 11.715 -0.312 1.00 0.00 H new ATOM 1057 N GLU A 66 9.873 11.301 4.303 1.00 0.00 N ATOM 1058 CA GLU A 66 8.801 11.548 5.260 1.00 0.00 C ATOM 1059 C GLU A 66 8.499 10.293 6.074 1.00 0.00 C ATOM 1060 O GLU A 66 8.271 10.364 7.282 1.00 0.00 O ATOM 1061 CB GLU A 66 7.537 12.016 4.535 1.00 0.00 C ATOM 1062 CG GLU A 66 7.527 13.504 4.228 1.00 0.00 C ATOM 1063 CD GLU A 66 7.297 14.352 5.464 1.00 0.00 C ATOM 1064 OE1 GLU A 66 7.996 14.131 6.475 1.00 0.00 O ATOM 1065 OE2 GLU A 66 6.418 15.238 5.419 1.00 0.00 O ATOM 0 H GLU A 66 9.725 11.721 3.385 1.00 0.00 H new ATOM 0 HA GLU A 66 9.131 12.332 5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.436 11.461 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.667 11.774 5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.476 13.784 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.747 13.715 3.496 1.00 0.00 H new ATOM 1072 N CYS A 67 8.497 9.147 5.403 1.00 0.00 N ATOM 1073 CA CYS A 67 8.221 7.875 6.063 1.00 0.00 C ATOM 1074 C CYS A 67 9.185 7.644 7.222 1.00 0.00 C ATOM 1075 O CYS A 67 10.166 8.370 7.381 1.00 0.00 O ATOM 1076 CB CYS A 67 8.323 6.724 5.061 1.00 0.00 C ATOM 1077 SG CYS A 67 7.667 7.113 3.421 1.00 0.00 S ATOM 0 H CYS A 67 8.683 9.072 4.403 1.00 0.00 H new ATOM 0 HA CYS A 67 7.207 7.912 6.460 1.00 0.00 H new ATOM 0 HB2 CYS A 67 9.369 6.434 4.963 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.789 5.861 5.459 1.00 0.00 H new ATOM 0 HG CYS A 67 7.800 6.079 2.644 1.00 0.00 H new ATOM 1083 N ARG A 68 8.898 6.628 8.029 1.00 0.00 N ATOM 1084 CA ARG A 68 9.737 6.302 9.176 1.00 0.00 C ATOM 1085 C ARG A 68 11.199 6.168 8.759 1.00 0.00 C ATOM 1086 O ARG A 68 11.553 6.429 7.609 1.00 0.00 O ATOM 1087 CB ARG A 68 9.262 5.004 9.831 1.00 0.00 C ATOM 1088 CG ARG A 68 8.126 5.203 10.822 1.00 0.00 C ATOM 1089 CD ARG A 68 8.157 4.153 11.922 1.00 0.00 C ATOM 1090 NE ARG A 68 7.523 4.628 13.149 1.00 0.00 N ATOM 1091 CZ ARG A 68 7.779 4.124 14.351 1.00 0.00 C ATOM 1092 NH1 ARG A 68 8.651 3.134 14.487 1.00 0.00 N ATOM 1093 NH2 ARG A 68 7.161 4.609 15.420 1.00 0.00 N ATOM 0 H ARG A 68 8.091 6.016 7.910 1.00 0.00 H new ATOM 0 HA ARG A 68 9.655 7.115 9.897 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.938 4.312 9.054 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.103 4.537 10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.197 6.197 11.264 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.172 5.155 10.298 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.650 3.252 11.577 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.191 3.877 12.131 1.00 0.00 H new ATOM 0 HE ARG A 68 6.847 5.388 13.079 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.127 2.758 13.667 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.845 2.749 15.411 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.489 5.369 15.319 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.358 4.221 16.343 1.00 0.00 H new ATOM 1107 N ASP A 69 12.043 5.761 9.700 1.00 0.00 N ATOM 1108 CA ASP A 69 13.466 5.592 9.431 1.00 0.00 C ATOM 1109 C ASP A 69 13.729 4.274 8.710 1.00 0.00 C ATOM 1110 O ASP A 69 14.694 3.571 9.013 1.00 0.00 O ATOM 1111 CB ASP A 69 14.263 5.642 10.735 1.00 0.00 C ATOM 1112 CG ASP A 69 15.677 6.149 10.530 1.00 0.00 C ATOM 1113 OD1 ASP A 69 15.840 7.222 9.911 1.00 0.00 O ATOM 1114 OD2 ASP A 69 16.622 5.472 10.988 1.00 0.00 O ATOM 0 H ASP A 69 11.766 5.542 10.657 1.00 0.00 H new ATOM 0 HA ASP A 69 13.788 6.409 8.786 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.749 6.287 11.447 1.00 0.00 H new ATOM 0 HB3 ASP A 69 14.298 4.645 11.175 1.00 0.00 H new ATOM 1119 N ILE A 70 12.865 3.944 7.756 1.00 0.00 N ATOM 1120 CA ILE A 70 13.005 2.710 6.992 1.00 0.00 C ATOM 1121 C ILE A 70 13.964 2.895 5.820 1.00 0.00 C ATOM 1122 O ILE A 70 14.582 3.948 5.673 1.00 0.00 O ATOM 1123 CB ILE A 70 11.646 2.223 6.456 1.00 0.00 C ATOM 1124 CG1 ILE A 70 11.267 2.992 5.189 1.00 0.00 C ATOM 1125 CG2 ILE A 70 10.570 2.381 7.520 1.00 0.00 C ATOM 1126 CD1 ILE A 70 9.886 2.658 4.670 1.00 0.00 C ATOM 0 H ILE A 70 12.061 4.514 7.494 1.00 0.00 H new ATOM 0 HA ILE A 70 13.408 1.961 7.673 1.00 0.00 H new ATOM 0 HB ILE A 70 11.729 1.166 6.205 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.321 4.061 5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.000 2.779 4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.615 2.033 7.126 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.837 1.793 8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.486 3.431 7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.685 3.240 3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.833 1.595 4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.143 2.898 5.431 1.00 0.00 H new ATOM 1138 N GLN A 71 14.080 1.864 4.990 1.00 0.00 N ATOM 1139 CA GLN A 71 14.963 1.913 3.831 1.00 0.00 C ATOM 1140 C GLN A 71 14.343 1.184 2.643 1.00 0.00 C ATOM 1141 O GLN A 71 13.666 0.166 2.793 1.00 0.00 O ATOM 1142 CB GLN A 71 16.321 1.296 4.171 1.00 0.00 C ATOM 1143 CG GLN A 71 16.267 -0.206 4.401 1.00 0.00 C ATOM 1144 CD GLN A 71 15.401 -0.584 5.586 1.00 0.00 C ATOM 1145 OE1 GLN A 71 14.242 -0.967 5.425 1.00 0.00 O ATOM 1146 NE2 GLN A 71 15.960 -0.478 6.786 1.00 0.00 N ATOM 0 H GLN A 71 13.574 0.985 5.098 1.00 0.00 H new ATOM 0 HA GLN A 71 15.105 2.959 3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.019 1.506 3.361 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.716 1.778 5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.883 -0.693 3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.278 -0.582 4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.924 -0.156 6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 71 15.425 -0.718 7.621 1.00 0.00 H new ATOM 1155 N PRO A 72 14.579 1.714 1.434 1.00 0.00 N ATOM 1156 CA PRO A 72 14.052 1.130 0.197 1.00 0.00 C ATOM 1157 C PRO A 72 14.720 -0.197 -0.147 1.00 0.00 C ATOM 1158 O PRO A 72 15.854 -0.470 0.248 1.00 0.00 O ATOM 1159 CB PRO A 72 14.382 2.184 -0.862 1.00 0.00 C ATOM 1160 CG PRO A 72 15.555 2.920 -0.312 1.00 0.00 C ATOM 1161 CD PRO A 72 15.377 2.925 1.181 1.00 0.00 C ATOM 0 HA PRO A 72 12.989 0.902 0.274 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.619 1.722 -1.820 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.538 2.853 -1.031 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.488 2.432 -0.592 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.597 3.936 -0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.335 2.891 1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.862 3.824 1.521 1.00 0.00 H new ATOM 1169 N PRO A 73 14.003 -1.044 -0.901 1.00 0.00 N ATOM 1170 CA PRO A 73 14.507 -2.356 -1.315 1.00 0.00 C ATOM 1171 C PRO A 73 15.635 -2.248 -2.336 1.00 0.00 C ATOM 1172 O PRO A 73 16.091 -1.151 -2.658 1.00 0.00 O ATOM 1173 CB PRO A 73 13.282 -3.026 -1.942 1.00 0.00 C ATOM 1174 CG PRO A 73 12.424 -1.895 -2.396 1.00 0.00 C ATOM 1175 CD PRO A 73 12.645 -0.784 -1.407 1.00 0.00 C ATOM 0 HA PRO A 73 14.932 -2.911 -0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.565 -3.668 -2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.760 -3.654 -1.219 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.695 -1.580 -3.404 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.375 -2.189 -2.425 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.573 0.195 -1.880 1.00 0.00 H new ATOM 0 HD3 PRO A 73 11.906 -0.806 -0.606 1.00 0.00 H new ATOM 1183 N ASP A 74 16.080 -3.393 -2.842 1.00 0.00 N ATOM 1184 CA ASP A 74 17.154 -3.426 -3.828 1.00 0.00 C ATOM 1185 C ASP A 74 16.640 -3.018 -5.205 1.00 0.00 C ATOM 1186 O ASP A 74 15.540 -3.395 -5.605 1.00 0.00 O ATOM 1187 CB ASP A 74 17.772 -4.824 -3.894 1.00 0.00 C ATOM 1188 CG ASP A 74 18.924 -4.903 -4.876 1.00 0.00 C ATOM 1189 OD1 ASP A 74 18.660 -5.014 -6.091 1.00 0.00 O ATOM 1190 OD2 ASP A 74 20.089 -4.853 -4.430 1.00 0.00 O ATOM 0 H ASP A 74 15.714 -4.310 -2.586 1.00 0.00 H new ATOM 0 HA ASP A 74 17.919 -2.713 -3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 74 18.124 -5.110 -2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 74 17.005 -5.544 -4.180 1.00 0.00 H new ATOM 1195 N GLY A 75 17.446 -2.245 -5.927 1.00 0.00 N ATOM 1196 CA GLY A 75 17.055 -1.797 -7.251 1.00 0.00 C ATOM 1197 C GLY A 75 15.797 -0.952 -7.229 1.00 0.00 C ATOM 1198 O GLY A 75 14.930 -1.092 -8.092 1.00 0.00 O ATOM 0 H GLY A 75 18.363 -1.921 -5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.869 -1.220 -7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.896 -2.664 -7.892 1.00 0.00 H new ATOM 1202 N LYS A 76 15.695 -0.072 -6.239 1.00 0.00 N ATOM 1203 CA LYS A 76 14.534 0.800 -6.107 1.00 0.00 C ATOM 1204 C LYS A 76 14.898 2.083 -5.367 1.00 0.00 C ATOM 1205 O LYS A 76 15.622 2.070 -4.370 1.00 0.00 O ATOM 1206 CB LYS A 76 13.407 0.075 -5.367 1.00 0.00 C ATOM 1207 CG LYS A 76 12.939 -1.191 -6.063 1.00 0.00 C ATOM 1208 CD LYS A 76 12.160 -0.875 -7.329 1.00 0.00 C ATOM 1209 CE LYS A 76 10.707 -0.547 -7.022 1.00 0.00 C ATOM 1210 NZ LYS A 76 9.898 -1.776 -6.790 1.00 0.00 N ATOM 0 H LYS A 76 16.403 0.056 -5.516 1.00 0.00 H new ATOM 0 HA LYS A 76 14.193 1.063 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.747 -0.177 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.561 0.753 -5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.801 -1.811 -6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.313 -1.770 -5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.624 -0.032 -7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.206 -1.726 -8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.657 0.092 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.279 0.018 -7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.026 -1.527 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.654 -2.208 -7.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.449 -2.452 -6.223 1.00 0.00 H new ATOM 1224 N PRO A 77 14.386 3.220 -5.862 1.00 0.00 N ATOM 1225 CA PRO A 77 14.643 4.532 -5.262 1.00 0.00 C ATOM 1226 C PRO A 77 13.955 4.696 -3.911 1.00 0.00 C ATOM 1227 O PRO A 77 13.403 3.740 -3.364 1.00 0.00 O ATOM 1228 CB PRO A 77 14.056 5.510 -6.283 1.00 0.00 C ATOM 1229 CG PRO A 77 13.013 4.727 -7.001 1.00 0.00 C ATOM 1230 CD PRO A 77 13.516 3.310 -7.047 1.00 0.00 C ATOM 0 HA PRO A 77 15.703 4.688 -5.062 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.627 6.384 -5.793 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.821 5.873 -6.969 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.056 4.785 -6.482 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.855 5.118 -8.006 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.698 2.591 -7.001 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.066 3.108 -7.966 1.00 0.00 H new ATOM 1238 N ARG A 78 13.992 5.912 -3.377 1.00 0.00 N ATOM 1239 CA ARG A 78 13.373 6.201 -2.089 1.00 0.00 C ATOM 1240 C ARG A 78 12.058 6.953 -2.274 1.00 0.00 C ATOM 1241 O ARG A 78 11.110 6.763 -1.512 1.00 0.00 O ATOM 1242 CB ARG A 78 14.323 7.021 -1.214 1.00 0.00 C ATOM 1243 CG ARG A 78 14.161 6.758 0.274 1.00 0.00 C ATOM 1244 CD ARG A 78 15.146 7.575 1.095 1.00 0.00 C ATOM 1245 NE ARG A 78 16.498 7.026 1.034 1.00 0.00 N ATOM 1246 CZ ARG A 78 16.926 6.039 1.813 1.00 0.00 C ATOM 1247 NH1 ARG A 78 16.112 5.496 2.708 1.00 0.00 N ATOM 1248 NH2 ARG A 78 18.170 5.593 1.698 1.00 0.00 N ATOM 0 H ARG A 78 14.444 6.714 -3.817 1.00 0.00 H new ATOM 0 HA ARG A 78 13.163 5.252 -1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.351 6.801 -1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.157 8.081 -1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.143 7.000 0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.310 5.697 0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.156 8.603 0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.814 7.607 2.133 1.00 0.00 H new ATOM 0 HE ARG A 78 17.149 7.422 0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.155 5.836 2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.443 4.738 3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 78 18.799 6.008 1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.497 4.835 2.297 1.00 0.00 H new ATOM 1262 N ASP A 79 12.009 7.806 -3.291 1.00 0.00 N ATOM 1263 CA ASP A 79 10.810 8.586 -3.577 1.00 0.00 C ATOM 1264 C ASP A 79 9.650 7.677 -3.968 1.00 0.00 C ATOM 1265 O ASP A 79 8.499 8.112 -4.026 1.00 0.00 O ATOM 1266 CB ASP A 79 11.086 9.592 -4.696 1.00 0.00 C ATOM 1267 CG ASP A 79 12.458 10.226 -4.580 1.00 0.00 C ATOM 1268 OD1 ASP A 79 12.706 10.924 -3.573 1.00 0.00 O ATOM 1269 OD2 ASP A 79 13.283 10.025 -5.494 1.00 0.00 O ATOM 0 H ASP A 79 12.785 7.975 -3.931 1.00 0.00 H new ATOM 0 HA ASP A 79 10.534 9.127 -2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.001 9.091 -5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.325 10.373 -4.674 1.00 0.00 H new ATOM 1274 N CYS A 80 9.960 6.413 -4.235 1.00 0.00 N ATOM 1275 CA CYS A 80 8.943 5.442 -4.623 1.00 0.00 C ATOM 1276 C CYS A 80 8.425 4.682 -3.406 1.00 0.00 C ATOM 1277 O CYS A 80 7.704 3.692 -3.539 1.00 0.00 O ATOM 1278 CB CYS A 80 9.510 4.460 -5.649 1.00 0.00 C ATOM 1279 SG CYS A 80 10.627 3.223 -4.947 1.00 0.00 S ATOM 0 H CYS A 80 10.907 6.037 -4.190 1.00 0.00 H new ATOM 0 HA CYS A 80 8.111 5.984 -5.072 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.683 3.949 -6.143 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.043 5.021 -6.417 1.00 0.00 H new ATOM 0 HG CYS A 80 9.944 2.376 -4.235 1.00 0.00 H new ATOM 1285 N LEU A 81 8.798 5.150 -2.220 1.00 0.00 N ATOM 1286 CA LEU A 81 8.373 4.514 -0.978 1.00 0.00 C ATOM 1287 C LEU A 81 7.048 5.095 -0.494 1.00 0.00 C ATOM 1288 O LEU A 81 6.830 6.306 -0.555 1.00 0.00 O ATOM 1289 CB LEU A 81 9.444 4.688 0.100 1.00 0.00 C ATOM 1290 CG LEU A 81 10.725 3.876 -0.089 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.785 4.309 0.913 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.438 2.387 0.046 1.00 0.00 C ATOM 0 H LEU A 81 9.394 5.968 -2.092 1.00 0.00 H new ATOM 0 HA LEU A 81 8.232 3.451 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.711 5.744 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.008 4.422 1.063 1.00 0.00 H new ATOM 0 HG LEU A 81 11.105 4.063 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.690 3.720 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.012 5.365 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.414 4.152 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.361 1.825 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.033 2.183 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.714 2.086 -0.711 1.00 0.00 H new ATOM 1304 N LEU A 82 6.168 4.225 -0.012 1.00 0.00 N ATOM 1305 CA LEU A 82 4.864 4.652 0.485 1.00 0.00 C ATOM 1306 C LEU A 82 4.586 4.059 1.863 1.00 0.00 C ATOM 1307 O LEU A 82 4.691 2.849 2.059 1.00 0.00 O ATOM 1308 CB LEU A 82 3.763 4.239 -0.493 1.00 0.00 C ATOM 1309 CG LEU A 82 2.362 4.773 -0.190 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.161 6.138 -0.830 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.303 3.793 -0.675 1.00 0.00 C ATOM 0 H LEU A 82 6.333 3.220 0.046 1.00 0.00 H new ATOM 0 HA LEU A 82 4.874 5.738 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.048 4.570 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.717 3.150 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 82 2.261 4.883 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.159 6.502 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.899 6.837 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.281 6.055 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.312 4.188 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.403 3.652 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.434 2.836 -0.170 1.00 0.00 H new ATOM 1323 N GLN A 83 4.229 4.919 2.811 1.00 0.00 N ATOM 1324 CA GLN A 83 3.933 4.479 4.169 1.00 0.00 C ATOM 1325 C GLN A 83 2.526 4.895 4.583 1.00 0.00 C ATOM 1326 O GLN A 83 1.987 5.881 4.078 1.00 0.00 O ATOM 1327 CB GLN A 83 4.957 5.055 5.148 1.00 0.00 C ATOM 1328 CG GLN A 83 5.209 4.168 6.357 1.00 0.00 C ATOM 1329 CD GLN A 83 6.443 4.580 7.136 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.361 5.369 8.079 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.595 4.047 6.746 1.00 0.00 N ATOM 0 H GLN A 83 4.138 5.924 2.664 1.00 0.00 H new ATOM 0 HA GLN A 83 3.991 3.391 4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.899 5.216 4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.612 6.031 5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.341 4.202 7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.320 3.135 6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.616 3.398 5.960 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.459 4.287 7.233 1.00 0.00 H new ATOM 1340 N ILE A 84 1.936 4.139 5.502 1.00 0.00 N ATOM 1341 CA ILE A 84 0.592 4.431 5.983 1.00 0.00 C ATOM 1342 C ILE A 84 0.524 4.358 7.505 1.00 0.00 C ATOM 1343 O ILE A 84 0.693 3.290 8.094 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.443 3.458 5.387 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.236 3.321 3.878 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -1.855 3.934 5.693 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.605 4.566 3.102 1.00 0.00 C ATOM 0 H ILE A 84 2.368 3.319 5.929 1.00 0.00 H new ATOM 0 HA ILE A 84 0.355 5.444 5.660 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.304 2.478 5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.808 3.078 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.832 2.485 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.575 3.236 5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.996 3.985 6.773 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.007 4.923 5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.433 4.397 2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.657 4.799 3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.009 5.401 3.440 1.00 0.00 H new ATOM 1359 N VAL A 85 0.275 5.500 8.137 1.00 0.00 N ATOM 1360 CA VAL A 85 0.182 5.566 9.590 1.00 0.00 C ATOM 1361 C VAL A 85 -1.207 5.161 10.071 1.00 0.00 C ATOM 1362 O VAL A 85 -2.182 5.885 9.864 1.00 0.00 O ATOM 1363 CB VAL A 85 0.501 6.980 10.110 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.398 7.028 11.626 1.00 0.00 C ATOM 1365 CG2 VAL A 85 1.883 7.419 9.647 1.00 0.00 C ATOM 0 H VAL A 85 0.134 6.393 7.665 1.00 0.00 H new ATOM 0 HA VAL A 85 0.919 4.867 9.986 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.233 7.673 9.698 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.627 8.035 11.975 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.614 6.760 11.931 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.107 6.324 12.061 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.092 8.420 10.024 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.632 6.725 10.028 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.916 7.427 8.558 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.290 4.002 10.713 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.560 3.500 11.224 1.00 0.00 C ATOM 1377 C CYS A 86 -2.880 4.112 12.584 1.00 0.00 C ATOM 1378 O CYS A 86 -2.135 4.953 13.088 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.523 1.975 11.334 1.00 0.00 C ATOM 1380 SG CYS A 86 -2.390 1.123 9.744 1.00 0.00 S ATOM 0 H CYS A 86 -0.493 3.392 10.892 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.344 3.788 10.523 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.679 1.687 11.960 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.426 1.636 11.841 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.541 0.607 9.430 1.00 0.00 H new ATOM 1386 N ARG A 87 -3.992 3.685 13.172 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.412 4.194 14.473 1.00 0.00 C ATOM 1388 C ARG A 87 -3.637 3.515 15.598 1.00 0.00 C ATOM 1389 O ARG A 87 -3.254 4.156 16.576 1.00 0.00 O ATOM 1390 CB ARG A 87 -5.913 3.975 14.669 1.00 0.00 C ATOM 1391 CG ARG A 87 -6.778 4.969 13.911 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.214 4.954 14.411 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.417 5.881 15.520 1.00 0.00 N ATOM 1394 CZ ARG A 87 -9.455 5.821 16.348 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -10.377 4.881 16.193 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -9.570 6.701 17.334 1.00 0.00 N ATOM 0 H ARG A 87 -4.619 2.988 12.769 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.201 5.263 14.503 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.169 2.965 14.349 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.145 4.041 15.732 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.364 5.971 14.021 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.760 4.732 12.847 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.885 5.215 13.593 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.476 3.945 14.729 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.724 6.615 15.668 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.291 4.202 15.437 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.173 4.837 16.830 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.862 7.424 17.457 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.367 6.654 17.969 1.00 0.00 H new ATOM 1410 N ASP A 88 -3.410 2.214 15.451 1.00 0.00 N ATOM 1411 CA ASP A 88 -2.680 1.447 16.455 1.00 0.00 C ATOM 1412 C ASP A 88 -1.181 1.474 16.174 1.00 0.00 C ATOM 1413 O ASP A 88 -0.535 0.430 16.092 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.180 0.002 16.486 1.00 0.00 C ATOM 1415 CG ASP A 88 -3.027 -0.633 17.854 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -3.214 0.078 18.863 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -2.719 -1.842 17.916 1.00 0.00 O ATOM 0 H ASP A 88 -3.721 1.669 14.647 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.858 1.905 17.428 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.229 -0.023 16.192 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.629 -0.586 15.752 1.00 0.00 H new ATOM 1422 N GLY A 89 -0.633 2.677 16.028 1.00 0.00 N ATOM 1423 CA GLY A 89 0.786 2.817 15.757 1.00 0.00 C ATOM 1424 C GLY A 89 1.304 1.752 14.812 1.00 0.00 C ATOM 1425 O GLY A 89 2.483 1.399 14.848 1.00 0.00 O ATOM 0 H GLY A 89 -1.146 3.556 16.093 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.975 3.801 15.329 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.339 2.766 16.695 1.00 0.00 H new ATOM 1429 N LYS A 90 0.421 1.236 13.963 1.00 0.00 N ATOM 1430 CA LYS A 90 0.795 0.203 13.004 1.00 0.00 C ATOM 1431 C LYS A 90 1.203 0.822 11.671 1.00 0.00 C ATOM 1432 O LYS A 90 0.358 1.108 10.822 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.368 -0.769 12.792 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.130 -1.767 11.672 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.264 -2.774 11.571 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.246 -3.501 10.236 1.00 0.00 C ATOM 1437 NZ LYS A 90 -2.364 -4.479 10.122 1.00 0.00 N ATOM 0 H LYS A 90 -0.559 1.517 13.920 1.00 0.00 H new ATOM 0 HA LYS A 90 1.648 -0.343 13.408 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.550 -1.313 13.719 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.271 -0.199 12.574 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.029 -1.236 10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.809 -2.292 11.845 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.183 -3.498 12.382 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.218 -2.262 11.695 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.315 -2.775 9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.295 -4.021 10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.317 -4.954 9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.284 -5.187 10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.272 -3.980 10.209 1.00 0.00 H new ATOM 1451 N THR A 91 2.505 1.024 11.491 1.00 0.00 N ATOM 1452 CA THR A 91 3.025 1.608 10.261 1.00 0.00 C ATOM 1453 C THR A 91 3.280 0.535 9.208 1.00 0.00 C ATOM 1454 O THR A 91 3.975 -0.448 9.466 1.00 0.00 O ATOM 1455 CB THR A 91 4.332 2.382 10.516 1.00 0.00 C ATOM 1456 OG1 THR A 91 4.113 3.405 11.493 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.852 3.004 9.229 1.00 0.00 C ATOM 0 H THR A 91 3.218 0.792 12.182 1.00 0.00 H new ATOM 0 HA THR A 91 2.267 2.300 9.894 1.00 0.00 H new ATOM 0 HB THR A 91 5.078 1.680 10.888 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.949 3.891 11.651 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.776 3.545 9.434 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.046 2.219 8.498 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.108 3.694 8.832 1.00 0.00 H new ATOM 1465 N ILE A 92 2.714 0.731 8.022 1.00 0.00 N ATOM 1466 CA ILE A 92 2.882 -0.220 6.930 1.00 0.00 C ATOM 1467 C ILE A 92 3.844 0.318 5.877 1.00 0.00 C ATOM 1468 O ILE A 92 3.594 1.356 5.265 1.00 0.00 O ATOM 1469 CB ILE A 92 1.535 -0.550 6.259 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.559 -1.132 7.284 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.742 -1.521 5.106 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -0.876 -1.151 6.807 1.00 0.00 C ATOM 0 H ILE A 92 2.135 1.539 7.793 1.00 0.00 H new ATOM 0 HA ILE A 92 3.295 -1.131 7.364 1.00 0.00 H new ATOM 0 HB ILE A 92 1.108 0.371 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.866 -2.149 7.529 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.620 -0.550 8.204 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.781 -1.745 4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.406 -1.072 4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.187 -2.442 5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.512 -1.576 7.584 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.200 -0.134 6.589 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.951 -1.757 5.904 1.00 0.00 H new ATOM 1484 N SER A 93 4.945 -0.397 5.669 1.00 0.00 N ATOM 1485 CA SER A 93 5.947 0.009 4.690 1.00 0.00 C ATOM 1486 C SER A 93 5.622 -0.560 3.312 1.00 0.00 C ATOM 1487 O SER A 93 5.559 -1.777 3.129 1.00 0.00 O ATOM 1488 CB SER A 93 7.337 -0.452 5.130 1.00 0.00 C ATOM 1489 OG SER A 93 7.579 -0.120 6.486 1.00 0.00 O ATOM 0 H SER A 93 5.166 -1.260 6.165 1.00 0.00 H new ATOM 0 HA SER A 93 5.937 1.097 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.426 -1.530 4.995 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.094 0.012 4.498 1.00 0.00 H new ATOM 0 HG SER A 93 8.473 -0.427 6.743 1.00 0.00 H new ATOM 1495 N LEU A 94 5.416 0.328 2.345 1.00 0.00 N ATOM 1496 CA LEU A 94 5.098 -0.085 0.983 1.00 0.00 C ATOM 1497 C LEU A 94 6.102 0.492 -0.010 1.00 0.00 C ATOM 1498 O LEU A 94 6.732 1.518 0.255 1.00 0.00 O ATOM 1499 CB LEU A 94 3.683 0.362 0.612 1.00 0.00 C ATOM 1500 CG LEU A 94 2.580 -0.007 1.605 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.222 0.437 1.084 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.586 -1.504 1.876 1.00 0.00 C ATOM 0 H LEU A 94 5.464 1.338 2.479 1.00 0.00 H new ATOM 0 HA LEU A 94 5.154 -1.173 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.686 1.445 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.430 -0.068 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 94 2.773 0.513 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.450 0.166 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.222 1.518 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.019 -0.054 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.795 -1.749 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.418 -2.043 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.550 -1.794 2.294 1.00 0.00 H new ATOM 1514 N CYS A 95 6.245 -0.171 -1.152 1.00 0.00 N ATOM 1515 CA CYS A 95 7.172 0.277 -2.185 1.00 0.00 C ATOM 1516 C CYS A 95 6.555 0.128 -3.571 1.00 0.00 C ATOM 1517 O CYS A 95 5.956 -0.900 -3.888 1.00 0.00 O ATOM 1518 CB CYS A 95 8.478 -0.516 -2.107 1.00 0.00 C ATOM 1519 SG CYS A 95 9.900 0.329 -2.837 1.00 0.00 S ATOM 0 H CYS A 95 5.731 -1.020 -1.386 1.00 0.00 H new ATOM 0 HA CYS A 95 7.385 1.332 -2.014 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.696 -0.734 -1.062 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.340 -1.473 -2.610 1.00 0.00 H new ATOM 0 HG CYS A 95 10.384 -0.393 -3.804 1.00 0.00 H new ATOM 1525 N ALA A 96 6.703 1.161 -4.394 1.00 0.00 N ATOM 1526 CA ALA A 96 6.160 1.144 -5.747 1.00 0.00 C ATOM 1527 C ALA A 96 7.254 0.875 -6.774 1.00 0.00 C ATOM 1528 O ALA A 96 8.427 1.162 -6.535 1.00 0.00 O ATOM 1529 CB ALA A 96 5.461 2.461 -6.051 1.00 0.00 C ATOM 0 H ALA A 96 7.194 2.020 -4.147 1.00 0.00 H new ATOM 0 HA ALA A 96 5.432 0.335 -5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.060 2.435 -7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.647 2.613 -5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.175 3.280 -5.964 1.00 0.00 H new ATOM 1535 N GLU A 97 6.863 0.320 -7.917 1.00 0.00 N ATOM 1536 CA GLU A 97 7.812 0.011 -8.980 1.00 0.00 C ATOM 1537 C GLU A 97 8.526 1.272 -9.456 1.00 0.00 C ATOM 1538 O GLU A 97 9.754 1.310 -9.539 1.00 0.00 O ATOM 1539 CB GLU A 97 7.096 -0.658 -10.155 1.00 0.00 C ATOM 1540 CG GLU A 97 8.008 -1.518 -11.013 1.00 0.00 C ATOM 1541 CD GLU A 97 7.268 -2.653 -11.694 1.00 0.00 C ATOM 1542 OE1 GLU A 97 6.780 -3.555 -10.981 1.00 0.00 O ATOM 1543 OE2 GLU A 97 7.176 -2.640 -12.940 1.00 0.00 O ATOM 0 H GLU A 97 5.896 0.075 -8.130 1.00 0.00 H new ATOM 0 HA GLU A 97 8.556 -0.677 -8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.284 -1.275 -9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.643 0.112 -10.780 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.484 -0.894 -11.769 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.804 -1.929 -10.392 1.00 0.00 H new ATOM 1550 N SER A 98 7.748 2.303 -9.769 1.00 0.00 N ATOM 1551 CA SER A 98 8.304 3.566 -10.242 1.00 0.00 C ATOM 1552 C SER A 98 7.593 4.750 -9.592 1.00 0.00 C ATOM 1553 O SER A 98 6.418 4.664 -9.235 1.00 0.00 O ATOM 1554 CB SER A 98 8.189 3.660 -11.764 1.00 0.00 C ATOM 1555 OG SER A 98 8.928 4.761 -12.264 1.00 0.00 O ATOM 0 H SER A 98 6.730 2.289 -9.704 1.00 0.00 H new ATOM 0 HA SER A 98 9.357 3.599 -9.962 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.553 2.738 -12.217 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.141 3.762 -12.047 1.00 0.00 H new ATOM 0 HG SER A 98 8.331 5.355 -12.766 1.00 0.00 H new ATOM 1561 N THR A 99 8.316 5.855 -9.442 1.00 0.00 N ATOM 1562 CA THR A 99 7.757 7.057 -8.835 1.00 0.00 C ATOM 1563 C THR A 99 6.312 7.272 -9.271 1.00 0.00 C ATOM 1564 O THR A 99 5.474 7.708 -8.482 1.00 0.00 O ATOM 1565 CB THR A 99 8.582 8.306 -9.198 1.00 0.00 C ATOM 1566 OG1 THR A 99 9.978 8.039 -9.023 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.176 9.492 -8.338 1.00 0.00 C ATOM 0 H THR A 99 9.290 5.943 -9.732 1.00 0.00 H new ATOM 0 HA THR A 99 7.790 6.910 -7.755 1.00 0.00 H new ATOM 0 HB THR A 99 8.387 8.552 -10.242 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.496 8.837 -9.257 1.00 0.00 H new ATOM 0 HG21 THR A 99 8.772 10.362 -8.613 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.120 9.711 -8.496 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.344 9.254 -7.288 1.00 0.00 H new ATOM 1575 N ASP A 100 6.027 6.963 -10.531 1.00 0.00 N ATOM 1576 CA ASP A 100 4.682 7.121 -11.071 1.00 0.00 C ATOM 1577 C ASP A 100 3.666 6.349 -10.235 1.00 0.00 C ATOM 1578 O ASP A 100 2.646 6.897 -9.819 1.00 0.00 O ATOM 1579 CB ASP A 100 4.633 6.643 -12.524 1.00 0.00 C ATOM 1580 CG ASP A 100 5.740 7.244 -13.368 1.00 0.00 C ATOM 1581 OD1 ASP A 100 5.744 8.479 -13.549 1.00 0.00 O ATOM 1582 OD2 ASP A 100 6.602 6.478 -13.848 1.00 0.00 O ATOM 0 H ASP A 100 6.709 6.602 -11.197 1.00 0.00 H new ATOM 0 HA ASP A 100 4.426 8.180 -11.036 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.710 5.556 -12.549 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.667 6.904 -12.957 1.00 0.00 H new ATOM 1587 N ASP A 101 3.952 5.074 -9.994 1.00 0.00 N ATOM 1588 CA ASP A 101 3.064 4.227 -9.207 1.00 0.00 C ATOM 1589 C ASP A 101 2.833 4.820 -7.821 1.00 0.00 C ATOM 1590 O ASP A 101 1.692 4.997 -7.393 1.00 0.00 O ATOM 1591 CB ASP A 101 3.647 2.818 -9.082 1.00 0.00 C ATOM 1592 CG ASP A 101 2.574 1.760 -8.914 1.00 0.00 C ATOM 1593 OD1 ASP A 101 2.193 1.481 -7.758 1.00 0.00 O ATOM 1594 OD2 ASP A 101 2.116 1.211 -9.938 1.00 0.00 O ATOM 0 H ASP A 101 4.792 4.605 -10.333 1.00 0.00 H new ATOM 0 HA ASP A 101 2.105 4.171 -9.722 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.239 2.593 -9.969 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.325 2.783 -8.229 1.00 0.00 H new ATOM 1599 N CYS A 102 3.922 5.125 -7.125 1.00 0.00 N ATOM 1600 CA CYS A 102 3.839 5.697 -5.786 1.00 0.00 C ATOM 1601 C CYS A 102 2.929 6.921 -5.773 1.00 0.00 C ATOM 1602 O CYS A 102 1.989 7.002 -4.982 1.00 0.00 O ATOM 1603 CB CYS A 102 5.232 6.077 -5.283 1.00 0.00 C ATOM 1604 SG CYS A 102 5.356 6.212 -3.484 1.00 0.00 S ATOM 0 H CYS A 102 4.873 4.986 -7.466 1.00 0.00 H new ATOM 0 HA CYS A 102 3.414 4.944 -5.122 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.948 5.332 -5.631 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.520 7.029 -5.729 1.00 0.00 H new ATOM 0 HG CYS A 102 6.502 6.737 -3.166 1.00 0.00 H new ATOM 1610 N LEU A 103 3.216 7.874 -6.654 1.00 0.00 N ATOM 1611 CA LEU A 103 2.425 9.096 -6.744 1.00 0.00 C ATOM 1612 C LEU A 103 0.949 8.775 -6.956 1.00 0.00 C ATOM 1613 O LEU A 103 0.085 9.285 -6.244 1.00 0.00 O ATOM 1614 CB LEU A 103 2.937 9.975 -7.887 1.00 0.00 C ATOM 1615 CG LEU A 103 4.203 10.783 -7.597 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.760 11.381 -8.879 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.917 11.875 -6.577 1.00 0.00 C ATOM 0 H LEU A 103 3.991 7.823 -7.316 1.00 0.00 H new ATOM 0 HA LEU A 103 2.529 9.637 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.126 9.339 -8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.144 10.668 -8.169 1.00 0.00 H new ATOM 0 HG LEU A 103 4.952 10.111 -7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.660 11.952 -8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.004 10.581 -9.578 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.016 12.039 -9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.829 12.440 -6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.151 12.546 -6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.566 11.423 -5.649 1.00 0.00 H new ATOM 1629 N ALA A 104 0.669 7.926 -7.939 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.702 7.533 -8.242 1.00 0.00 C ATOM 1631 C ALA A 104 -1.405 6.993 -7.002 1.00 0.00 C ATOM 1632 O ALA A 104 -2.560 7.326 -6.737 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.720 6.496 -9.356 1.00 0.00 C ATOM 0 H ALA A 104 1.373 7.497 -8.539 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.242 8.419 -8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.750 6.212 -9.572 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.264 6.917 -10.252 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.159 5.616 -9.043 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.702 6.157 -6.246 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.260 5.570 -5.033 1.00 0.00 C ATOM 1641 C TRP A 105 -1.509 6.639 -3.975 1.00 0.00 C ATOM 1642 O TRP A 105 -2.594 6.715 -3.397 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.319 4.498 -4.481 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.575 3.134 -5.047 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.307 2.356 -5.741 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.795 2.389 -4.969 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.291 1.172 -6.099 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.580 1.167 -5.637 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -3.047 2.634 -4.399 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.572 0.196 -5.749 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -4.030 1.670 -4.512 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.788 0.463 -5.182 1.00 0.00 C ATOM 0 H TRP A 105 0.255 5.871 -6.452 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.214 5.109 -5.288 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.711 4.784 -4.694 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.421 4.459 -3.397 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.325 2.631 -5.974 1.00 0.00 H new ATOM 0 HE1 TRP A 105 0.153 0.419 -6.624 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.243 3.560 -3.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.388 -0.735 -6.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -5.002 1.850 -4.076 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.577 -0.271 -5.252 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.499 7.466 -3.727 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.609 8.533 -2.739 1.00 0.00 C ATOM 1665 C LYS A 106 -1.828 9.407 -3.015 1.00 0.00 C ATOM 1666 O LYS A 106 -2.676 9.600 -2.143 1.00 0.00 O ATOM 1667 CB LYS A 106 0.658 9.392 -2.743 1.00 0.00 C ATOM 1668 CG LYS A 106 0.536 10.660 -1.916 1.00 0.00 C ATOM 1669 CD LYS A 106 1.898 11.177 -1.483 1.00 0.00 C ATOM 1670 CE LYS A 106 1.816 12.609 -0.978 1.00 0.00 C ATOM 1671 NZ LYS A 106 3.163 13.228 -0.844 1.00 0.00 N ATOM 0 H LYS A 106 0.405 7.418 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.727 8.074 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.490 8.799 -2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.901 9.661 -3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.023 11.426 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.076 10.464 -1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.299 10.536 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.592 11.125 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.211 13.202 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.311 12.625 -0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 3.123 14.000 -0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 3.845 12.510 -0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 3.464 13.606 -1.765 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.912 9.931 -4.233 1.00 0.00 N ATOM 1686 CA PHE A 107 -3.029 10.783 -4.623 1.00 0.00 C ATOM 1687 C PHE A 107 -4.361 10.082 -4.375 1.00 0.00 C ATOM 1688 O PHE A 107 -5.293 10.671 -3.825 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.911 11.170 -6.099 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.695 11.996 -6.407 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.338 13.058 -5.591 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.909 11.711 -7.512 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.220 13.820 -5.873 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.211 12.470 -7.798 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.556 13.525 -6.977 1.00 0.00 C ATOM 0 H PHE A 107 -1.220 9.781 -4.967 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.995 11.686 -4.013 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.887 10.263 -6.703 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.802 11.725 -6.393 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.940 13.293 -4.726 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.174 10.887 -8.157 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.047 14.646 -5.230 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.815 12.238 -8.663 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.431 14.119 -7.198 1.00 0.00 H new ATOM 1705 N THR A 108 -4.445 8.820 -4.784 1.00 0.00 N ATOM 1706 CA THR A 108 -5.662 8.038 -4.608 1.00 0.00 C ATOM 1707 C THR A 108 -6.013 7.892 -3.132 1.00 0.00 C ATOM 1708 O THR A 108 -7.159 8.102 -2.732 1.00 0.00 O ATOM 1709 CB THR A 108 -5.525 6.637 -5.233 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.098 6.748 -6.595 1.00 0.00 O ATOM 1711 CG2 THR A 108 -6.846 5.885 -5.170 1.00 0.00 C ATOM 0 H THR A 108 -3.684 8.317 -5.240 1.00 0.00 H new ATOM 0 HA THR A 108 -6.461 8.578 -5.117 1.00 0.00 H new ATOM 0 HB THR A 108 -4.781 6.080 -4.664 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.119 6.743 -6.632 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.725 4.898 -5.617 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.154 5.777 -4.130 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.607 6.440 -5.718 1.00 0.00 H new ATOM 1719 N LEU A 109 -5.020 7.532 -2.326 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.224 7.358 -0.892 1.00 0.00 C ATOM 1721 C LEU A 109 -5.639 8.672 -0.238 1.00 0.00 C ATOM 1722 O LEU A 109 -6.547 8.703 0.593 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.947 6.830 -0.235 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.406 5.510 -0.786 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -1.896 5.442 -0.622 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.073 4.330 -0.093 1.00 0.00 C ATOM 0 H LEU A 109 -4.066 7.355 -2.641 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.025 6.633 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.170 7.588 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.135 6.706 0.831 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.638 5.460 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.529 4.496 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.434 6.267 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.641 5.514 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.676 3.399 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.872 4.376 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.149 4.370 -0.262 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.970 9.755 -0.619 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.271 11.072 -0.071 1.00 0.00 C ATOM 1740 C GLN A 110 -6.722 11.456 -0.343 1.00 0.00 C ATOM 1741 O GLN A 110 -7.368 12.103 0.481 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.332 12.123 -0.666 1.00 0.00 C ATOM 1743 CG GLN A 110 -2.901 12.014 -0.164 1.00 0.00 C ATOM 1744 CD GLN A 110 -2.190 13.352 -0.136 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -2.500 14.250 -0.920 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -1.228 13.494 0.769 1.00 0.00 N ATOM 0 H GLN A 110 -4.216 9.746 -1.305 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.121 11.032 1.008 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.336 12.028 -1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.716 13.116 -0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.903 11.587 0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.347 11.326 -0.803 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.003 12.724 1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.714 14.373 0.834 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.227 11.054 -1.504 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.602 11.356 -1.885 1.00 0.00 C ATOM 1757 C ASP A 111 -9.583 10.471 -1.123 1.00 0.00 C ATOM 1758 O ASP A 111 -10.516 10.965 -0.489 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.789 11.167 -3.391 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.869 12.067 -3.958 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -11.002 12.037 -3.433 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -9.582 12.802 -4.926 1.00 0.00 O ATOM 0 H ASP A 111 -6.705 10.518 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.804 12.396 -1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.847 11.371 -3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.043 10.127 -3.595 1.00 0.00 H new ATOM 1767 N SER A 112 -9.367 9.161 -1.189 1.00 0.00 N ATOM 1768 CA SER A 112 -10.236 8.208 -0.510 1.00 0.00 C ATOM 1769 C SER A 112 -10.621 8.716 0.876 1.00 0.00 C ATOM 1770 O SER A 112 -11.711 8.430 1.374 1.00 0.00 O ATOM 1771 CB SER A 112 -9.543 6.848 -0.392 1.00 0.00 C ATOM 1772 OG SER A 112 -8.580 6.855 0.647 1.00 0.00 O ATOM 0 H SER A 112 -8.597 8.736 -1.706 1.00 0.00 H new ATOM 0 HA SER A 112 -11.144 8.096 -1.102 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.285 6.074 -0.199 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.061 6.599 -1.337 1.00 0.00 H new ATOM 0 HG SER A 112 -7.945 7.587 0.500 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.719 9.471 1.495 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.962 10.018 2.824 1.00 0.00 C ATOM 1780 C ARG A 113 -11.338 10.674 2.898 1.00 0.00 C ATOM 1781 O ARG A 113 -12.166 10.313 3.735 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.880 11.037 3.185 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.486 10.439 3.274 1.00 0.00 C ATOM 1784 CD ARG A 113 -6.425 11.518 3.420 1.00 0.00 C ATOM 1785 NE ARG A 113 -6.655 12.358 4.593 1.00 0.00 N ATOM 1786 CZ ARG A 113 -5.744 13.184 5.096 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -4.549 13.281 4.531 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -6.029 13.915 6.165 1.00 0.00 N ATOM 0 H ARG A 113 -8.813 9.718 1.097 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.931 9.196 3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.878 11.832 2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.131 11.497 4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.434 9.759 4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -7.285 9.848 2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.442 11.052 3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -6.415 12.140 2.525 1.00 0.00 H new ATOM 0 HE ARG A 113 -7.565 12.308 5.051 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.327 12.721 3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.851 13.916 4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -6.948 13.843 6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -5.329 14.549 6.551 1.00 0.00 H new ATOM 1802 N THR A 114 -11.576 11.640 2.017 1.00 0.00 N ATOM 1803 CA THR A 114 -12.850 12.347 1.983 1.00 0.00 C ATOM 1804 C THR A 114 -13.885 11.578 1.170 1.00 0.00 C ATOM 1805 O THR A 114 -15.076 11.603 1.480 1.00 0.00 O ATOM 1806 CB THR A 114 -12.693 13.759 1.388 1.00 0.00 C ATOM 1807 OG1 THR A 114 -13.955 14.435 1.391 1.00 0.00 O ATOM 1808 CG2 THR A 114 -12.152 13.691 -0.032 1.00 0.00 C ATOM 0 H THR A 114 -10.903 11.951 1.317 1.00 0.00 H new ATOM 0 HA THR A 114 -13.192 12.431 3.015 1.00 0.00 H new ATOM 0 HB THR A 114 -11.984 14.312 2.004 1.00 0.00 H new ATOM 0 HG1 THR A 114 -13.846 15.332 1.013 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.050 14.700 -0.431 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.178 13.202 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.840 13.122 -0.657 1.00 0.00 H new ATOM 1816 N SER A 115 -13.422 10.893 0.128 1.00 0.00 N ATOM 1817 CA SER A 115 -14.309 10.118 -0.732 1.00 0.00 C ATOM 1818 C SER A 115 -14.348 8.657 -0.296 1.00 0.00 C ATOM 1819 O SER A 115 -13.356 7.937 -0.408 1.00 0.00 O ATOM 1820 CB SER A 115 -13.854 10.216 -2.189 1.00 0.00 C ATOM 1821 OG SER A 115 -14.291 11.428 -2.779 1.00 0.00 O ATOM 0 H SER A 115 -12.439 10.859 -0.140 1.00 0.00 H new ATOM 0 HA SER A 115 -15.314 10.532 -0.644 1.00 0.00 H new ATOM 0 HB2 SER A 115 -12.767 10.155 -2.239 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.247 9.371 -2.754 1.00 0.00 H new ATOM 0 HG SER A 115 -13.986 11.467 -3.710 1.00 0.00 H new ATOM 1827 N GLY A 116 -15.502 8.225 0.203 1.00 0.00 N ATOM 1828 CA GLY A 116 -15.650 6.851 0.649 1.00 0.00 C ATOM 1829 C GLY A 116 -17.097 6.474 0.894 1.00 0.00 C ATOM 1830 O GLY A 116 -17.818 6.067 -0.018 1.00 0.00 O ATOM 0 H GLY A 116 -16.337 8.801 0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -15.225 6.182 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -15.080 6.707 1.567 1.00 0.00 H new ATOM 1834 N PRO A 117 -17.542 6.607 2.152 1.00 0.00 N ATOM 1835 CA PRO A 117 -18.917 6.280 2.544 1.00 0.00 C ATOM 1836 C PRO A 117 -19.931 7.268 1.977 1.00 0.00 C ATOM 1837 O PRO A 117 -19.639 8.454 1.826 1.00 0.00 O ATOM 1838 CB PRO A 117 -18.880 6.369 4.072 1.00 0.00 C ATOM 1839 CG PRO A 117 -17.760 7.304 4.371 1.00 0.00 C ATOM 1840 CD PRO A 117 -16.738 7.086 3.289 1.00 0.00 C ATOM 0 HA PRO A 117 -19.228 5.306 2.167 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -19.824 6.742 4.470 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -18.709 5.391 4.521 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -18.106 8.338 4.378 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -17.336 7.103 5.355 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -16.207 8.007 3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -15.987 6.354 3.587 1.00 0.00 H new ATOM 1848 N SER A 118 -21.124 6.771 1.666 1.00 0.00 N ATOM 1849 CA SER A 118 -22.180 7.609 1.112 1.00 0.00 C ATOM 1850 C SER A 118 -23.500 7.371 1.840 1.00 0.00 C ATOM 1851 O SER A 118 -24.097 6.301 1.731 1.00 0.00 O ATOM 1852 CB SER A 118 -22.352 7.330 -0.382 1.00 0.00 C ATOM 1853 OG SER A 118 -22.608 5.957 -0.618 1.00 0.00 O ATOM 0 H SER A 118 -21.383 5.792 1.788 1.00 0.00 H new ATOM 0 HA SER A 118 -21.891 8.651 1.249 1.00 0.00 H new ATOM 0 HB2 SER A 118 -23.174 7.929 -0.775 1.00 0.00 H new ATOM 0 HB3 SER A 118 -21.452 7.633 -0.918 1.00 0.00 H new ATOM 0 HG SER A 118 -23.096 5.580 0.143 1.00 0.00 H new ATOM 1859 N SER A 119 -23.949 8.379 2.583 1.00 0.00 N ATOM 1860 CA SER A 119 -25.195 8.279 3.332 1.00 0.00 C ATOM 1861 C SER A 119 -26.226 9.273 2.807 1.00 0.00 C ATOM 1862 O SER A 119 -25.956 10.469 2.703 1.00 0.00 O ATOM 1863 CB SER A 119 -24.942 8.529 4.820 1.00 0.00 C ATOM 1864 OG SER A 119 -26.159 8.714 5.521 1.00 0.00 O ATOM 0 H SER A 119 -23.468 9.273 2.681 1.00 0.00 H new ATOM 0 HA SER A 119 -25.588 7.271 3.201 1.00 0.00 H new ATOM 0 HB2 SER A 119 -24.398 7.686 5.246 1.00 0.00 H new ATOM 0 HB3 SER A 119 -24.311 9.410 4.942 1.00 0.00 H new ATOM 0 HG SER A 119 -25.970 8.870 6.470 1.00 0.00 H new ATOM 1870 N GLY A 120 -27.411 8.769 2.475 1.00 0.00 N ATOM 1871 CA GLY A 120 -28.465 9.625 1.964 1.00 0.00 C ATOM 1872 C GLY A 120 -29.796 9.376 2.646 1.00 0.00 C ATOM 1873 O GLY A 120 -30.829 9.272 1.986 1.00 0.00 O ATOM 0 H GLY A 120 -27.659 7.783 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -28.180 10.668 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -28.574 9.462 0.892 1.00 0.00 H new TER 1877 GLY A 120