USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 914 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 65 CYS SG : rot 180:sc= -0.365 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 MET N :NH3+ -149:sc= -0.0035 (180deg=0) USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 65:sc= 0.222 USER MOD Single : A 5 MET CE :methyl 178:sc= -6.12! (180deg=-6.34!) USER MOD Single : A 10 ASN : amide:sc= -2.04 K(o=-2,f=-6.4!) USER MOD Single : A 11 CYS SG : rot -80:sc= -1.12 USER MOD Single : A 16 ASN : amide:sc= 0.917 K(o=0.92,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= -0.0102 (180deg=-0.144) USER MOD Single : A 23 THR OG1 : rot 56:sc= 0.642 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -133:sc= -0.403 (180deg=-2.91!) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -128:sc= -0.0444 (180deg=-0.416) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.81) USER MOD Single : A 56 ASN : amide:sc= -0.0364 X(o=-0.036,f=0.095) USER MOD Single : A 58 CYS SG : rot 160:sc= -0.543 USER MOD Single : A 63 TYR OH : rot -53:sc= 1.26 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.7!) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.016) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -91:sc= -0.0382 USER MOD Single : A 87 TYR OH : rot 9:sc= 0.441 USER MOD Single : A 89 SER OG : rot 170:sc= 0 USER MOD Single : A 90 SER OG : rot 160:sc= -0.0432 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 109 HIS : no HD1:sc= -0.879 X(o=-0.88,f=-1.1) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.438 0.277 1.439 1.00 41.24 N ATOM 2 CA MET A 1 1.605 0.708 0.055 1.00 21.33 C ATOM 3 C MET A 1 2.056 -0.454 -0.825 1.00 4.43 C ATOM 4 O MET A 1 1.362 -0.838 -1.766 1.00 4.35 O ATOM 5 CB MET A 1 2.620 1.850 -0.027 1.00 30.51 C ATOM 6 CG MET A 1 1.996 3.194 -0.366 1.00 22.35 C ATOM 7 SD MET A 1 3.169 4.331 -1.129 1.00 12.01 S ATOM 8 CE MET A 1 3.898 5.089 0.321 1.00 65.41 C ATOM 0 H1 MET A 1 0.687 0.838 1.889 1.00 41.24 H new ATOM 0 H2 MET A 1 1.178 -0.730 1.460 1.00 41.24 H new ATOM 0 H3 MET A 1 2.330 0.415 1.956 1.00 41.24 H new ATOM 0 HA MET A 1 0.641 1.063 -0.308 1.00 21.33 H new ATOM 0 HB2 MET A 1 3.141 1.931 0.927 1.00 30.51 H new ATOM 0 HB3 MET A 1 3.369 1.606 -0.780 1.00 30.51 H new ATOM 0 HG2 MET A 1 1.154 3.040 -1.041 1.00 22.35 H new ATOM 0 HG3 MET A 1 1.597 3.645 0.543 1.00 22.35 H new ATOM 0 HE1 MET A 1 4.646 5.819 0.013 1.00 65.41 H new ATOM 0 HE2 MET A 1 3.121 5.588 0.900 1.00 65.41 H new ATOM 0 HE3 MET A 1 4.371 4.322 0.934 1.00 65.41 H new ATOM 18 N ALA A 2 3.223 -1.008 -0.513 1.00 22.24 N ATOM 19 CA ALA A 2 3.766 -2.126 -1.274 1.00 75.42 C ATOM 20 C ALA A 2 4.145 -3.283 -0.356 1.00 75.51 C ATOM 21 O ALA A 2 5.311 -3.669 -0.277 1.00 12.15 O ATOM 22 CB ALA A 2 4.972 -1.677 -2.085 1.00 53.14 C ATOM 0 H ALA A 2 3.811 -0.700 0.262 1.00 22.24 H new ATOM 0 HA ALA A 2 2.993 -2.477 -1.957 1.00 75.42 H new ATOM 0 HB1 ALA A 2 5.367 -2.523 -2.648 1.00 53.14 H new ATOM 0 HB2 ALA A 2 4.673 -0.889 -2.776 1.00 53.14 H new ATOM 0 HB3 ALA A 2 5.742 -1.298 -1.413 1.00 53.14 H new ATOM 28 N SER A 3 3.152 -3.833 0.336 1.00 31.22 N ATOM 29 CA SER A 3 3.382 -4.944 1.253 1.00 44.33 C ATOM 30 C SER A 3 2.106 -5.297 2.010 1.00 1.23 C ATOM 31 O SER A 3 1.559 -6.387 1.852 1.00 35.14 O ATOM 32 CB SER A 3 4.496 -4.594 2.242 1.00 52.42 C ATOM 33 OG SER A 3 5.659 -5.364 1.994 1.00 32.44 O ATOM 0 H SER A 3 2.180 -3.527 0.279 1.00 31.22 H new ATOM 0 HA SER A 3 3.686 -5.811 0.666 1.00 44.33 H new ATOM 0 HB2 SER A 3 4.735 -3.533 2.165 1.00 52.42 H new ATOM 0 HB3 SER A 3 4.150 -4.769 3.261 1.00 52.42 H new ATOM 0 HG SER A 3 6.024 -5.131 1.115 1.00 32.44 H new ATOM 39 N GLY A 4 1.637 -4.365 2.835 1.00 44.33 N ATOM 40 CA GLY A 4 0.429 -4.595 3.605 1.00 25.32 C ATOM 41 C GLY A 4 -0.829 -4.370 2.791 1.00 33.03 C ATOM 42 O GLY A 4 -1.577 -3.425 3.041 1.00 42.11 O ATOM 0 H GLY A 4 2.073 -3.455 2.983 1.00 44.33 H new ATOM 0 HA2 GLY A 4 0.434 -5.616 3.986 1.00 25.32 H new ATOM 0 HA3 GLY A 4 0.422 -3.932 4.470 1.00 25.32 H new ATOM 46 N MET A 5 -1.064 -5.240 1.814 1.00 44.51 N ATOM 47 CA MET A 5 -2.241 -5.130 0.960 1.00 22.11 C ATOM 48 C MET A 5 -3.511 -5.017 1.797 1.00 2.23 C ATOM 49 O MET A 5 -3.734 -5.806 2.714 1.00 71.41 O ATOM 50 CB MET A 5 -2.336 -6.340 0.029 1.00 71.21 C ATOM 51 CG MET A 5 -1.048 -6.631 -0.723 1.00 64.14 C ATOM 52 SD MET A 5 -0.164 -8.057 -0.062 1.00 71.02 S ATOM 53 CE MET A 5 -1.378 -9.351 -0.308 1.00 63.12 C ATOM 0 H MET A 5 -0.455 -6.028 1.594 1.00 44.51 H new ATOM 0 HA MET A 5 -2.141 -4.226 0.360 1.00 22.11 H new ATOM 0 HB2 MET A 5 -2.612 -7.217 0.614 1.00 71.21 H new ATOM 0 HB3 MET A 5 -3.137 -6.172 -0.691 1.00 71.21 H new ATOM 0 HG2 MET A 5 -1.277 -6.806 -1.774 1.00 64.14 H new ATOM 0 HG3 MET A 5 -0.401 -5.755 -0.679 1.00 64.14 H new ATOM 0 HE1 MET A 5 -0.965 -10.305 0.020 1.00 63.12 H new ATOM 0 HE2 MET A 5 -2.273 -9.125 0.271 1.00 63.12 H new ATOM 0 HE3 MET A 5 -1.636 -9.412 -1.365 1.00 63.12 H new ATOM 63 N GLY A 6 -4.340 -4.029 1.476 1.00 54.42 N ATOM 64 CA GLY A 6 -5.577 -3.830 2.208 1.00 33.44 C ATOM 65 C GLY A 6 -6.803 -4.125 1.367 1.00 72.10 C ATOM 66 O GLY A 6 -7.222 -3.298 0.557 1.00 75.53 O ATOM 0 H GLY A 6 -4.177 -3.362 0.721 1.00 54.42 H new ATOM 0 HA2 GLY A 6 -5.582 -4.472 3.089 1.00 33.44 H new ATOM 0 HA3 GLY A 6 -5.623 -2.801 2.564 1.00 33.44 H new ATOM 70 N VAL A 7 -7.379 -5.308 1.557 1.00 14.23 N ATOM 71 CA VAL A 7 -8.564 -5.710 0.809 1.00 33.20 C ATOM 72 C VAL A 7 -9.824 -5.080 1.394 1.00 64.43 C ATOM 73 O VAL A 7 -10.318 -5.510 2.436 1.00 13.21 O ATOM 74 CB VAL A 7 -8.727 -7.242 0.797 1.00 15.33 C ATOM 75 CG1 VAL A 7 -7.673 -7.884 -0.090 1.00 64.44 C ATOM 76 CG2 VAL A 7 -8.655 -7.796 2.212 1.00 1.32 C ATOM 0 H VAL A 7 -7.044 -6.005 2.223 1.00 14.23 H new ATOM 0 HA VAL A 7 -8.427 -5.358 -0.214 1.00 33.20 H new ATOM 0 HB VAL A 7 -9.708 -7.483 0.387 1.00 15.33 H new ATOM 0 HG11 VAL A 7 -7.804 -8.966 -0.086 1.00 64.44 H new ATOM 0 HG12 VAL A 7 -7.777 -7.510 -1.108 1.00 64.44 H new ATOM 0 HG13 VAL A 7 -6.681 -7.637 0.287 1.00 64.44 H new ATOM 0 HG21 VAL A 7 -8.772 -8.879 2.185 1.00 1.32 H new ATOM 0 HG22 VAL A 7 -7.690 -7.546 2.652 1.00 1.32 H new ATOM 0 HG23 VAL A 7 -9.452 -7.360 2.814 1.00 1.32 H new ATOM 86 N ASP A 8 -10.338 -4.060 0.715 1.00 22.45 N ATOM 87 CA ASP A 8 -11.541 -3.371 1.166 1.00 34.55 C ATOM 88 C ASP A 8 -12.783 -3.955 0.500 1.00 15.02 C ATOM 89 O ASP A 8 -12.684 -4.708 -0.467 1.00 63.54 O ATOM 90 CB ASP A 8 -11.441 -1.875 0.866 1.00 73.24 C ATOM 91 CG ASP A 8 -12.119 -1.026 1.923 1.00 42.43 C ATOM 92 OD1 ASP A 8 -11.957 -1.331 3.122 1.00 31.44 O ATOM 93 OD2 ASP A 8 -12.812 -0.055 1.550 1.00 24.33 O ATOM 0 H ASP A 8 -9.940 -3.692 -0.149 1.00 22.45 H new ATOM 0 HA ASP A 8 -11.628 -3.512 2.243 1.00 34.55 H new ATOM 0 HB2 ASP A 8 -10.391 -1.591 0.795 1.00 73.24 H new ATOM 0 HB3 ASP A 8 -11.893 -1.671 -0.105 1.00 73.24 H new ATOM 98 N GLU A 9 -13.952 -3.602 1.026 1.00 12.21 N ATOM 99 CA GLU A 9 -15.213 -4.093 0.483 1.00 52.43 C ATOM 100 C GLU A 9 -15.283 -3.861 -1.024 1.00 12.10 C ATOM 101 O GLU A 9 -15.981 -4.577 -1.741 1.00 13.42 O ATOM 102 CB GLU A 9 -16.393 -3.404 1.171 1.00 14.21 C ATOM 103 CG GLU A 9 -16.309 -3.424 2.688 1.00 12.51 C ATOM 104 CD GLU A 9 -17.673 -3.364 3.349 1.00 43.51 C ATOM 105 OE1 GLU A 9 -18.488 -4.279 3.113 1.00 60.23 O ATOM 106 OE2 GLU A 9 -17.924 -2.400 4.103 1.00 61.01 O ATOM 0 H GLU A 9 -14.052 -2.978 1.827 1.00 12.21 H new ATOM 0 HA GLU A 9 -15.267 -5.165 0.672 1.00 52.43 H new ATOM 0 HB2 GLU A 9 -16.447 -2.369 0.832 1.00 14.21 H new ATOM 0 HB3 GLU A 9 -17.318 -3.890 0.860 1.00 14.21 H new ATOM 0 HG2 GLU A 9 -15.794 -4.330 3.008 1.00 12.51 H new ATOM 0 HG3 GLU A 9 -15.708 -2.580 3.026 1.00 12.51 H new ATOM 113 N ASN A 10 -14.555 -2.855 -1.496 1.00 43.44 N ATOM 114 CA ASN A 10 -14.535 -2.527 -2.917 1.00 44.14 C ATOM 115 C ASN A 10 -13.867 -3.638 -3.722 1.00 44.54 C ATOM 116 O ASN A 10 -14.307 -3.971 -4.823 1.00 71.21 O ATOM 117 CB ASN A 10 -13.801 -1.204 -3.147 1.00 11.24 C ATOM 118 CG ASN A 10 -14.086 -0.188 -2.057 1.00 31.52 C ATOM 119 OD1 ASN A 10 -13.369 -0.114 -1.059 1.00 64.12 O ATOM 120 ND2 ASN A 10 -15.139 0.600 -2.243 1.00 64.42 N ATOM 0 H ASN A 10 -13.971 -2.253 -0.916 1.00 43.44 H new ATOM 0 HA ASN A 10 -15.566 -2.426 -3.255 1.00 44.14 H new ATOM 0 HB2 ASN A 10 -12.728 -1.390 -3.195 1.00 11.24 H new ATOM 0 HB3 ASN A 10 -14.096 -0.791 -4.111 1.00 11.24 H new ATOM 0 HD21 ASN A 10 -15.381 1.301 -1.543 1.00 64.42 H new ATOM 0 HD22 ASN A 10 -15.706 0.504 -3.086 1.00 64.42 H new ATOM 127 N CYS A 11 -12.803 -4.206 -3.166 1.00 1.00 N ATOM 128 CA CYS A 11 -12.073 -5.279 -3.832 1.00 35.41 C ATOM 129 C CYS A 11 -13.030 -6.355 -4.337 1.00 41.43 C ATOM 130 O CYS A 11 -12.723 -7.078 -5.285 1.00 24.45 O ATOM 131 CB CYS A 11 -11.050 -5.897 -2.878 1.00 35.34 C ATOM 132 SG CYS A 11 -11.714 -7.222 -1.841 1.00 10.32 S ATOM 0 H CYS A 11 -12.426 -3.942 -2.256 1.00 1.00 H new ATOM 0 HA CYS A 11 -11.549 -4.852 -4.688 1.00 35.41 H new ATOM 0 HB2 CYS A 11 -10.216 -6.289 -3.461 1.00 35.34 H new ATOM 0 HB3 CYS A 11 -10.649 -5.113 -2.235 1.00 35.34 H new ATOM 0 HG CYS A 11 -12.364 -6.706 -0.841 1.00 10.32 H new ATOM 138 N VAL A 12 -14.191 -6.455 -3.698 1.00 1.34 N ATOM 139 CA VAL A 12 -15.193 -7.442 -4.082 1.00 3.03 C ATOM 140 C VAL A 12 -16.160 -6.871 -5.112 1.00 51.03 C ATOM 141 O VAL A 12 -16.653 -7.590 -5.981 1.00 43.22 O ATOM 142 CB VAL A 12 -15.992 -7.934 -2.861 1.00 32.42 C ATOM 143 CG1 VAL A 12 -17.053 -8.938 -3.286 1.00 62.24 C ATOM 144 CG2 VAL A 12 -15.060 -8.540 -1.823 1.00 4.34 C ATOM 0 H VAL A 12 -14.461 -5.864 -2.912 1.00 1.34 H new ATOM 0 HA VAL A 12 -14.657 -8.284 -4.519 1.00 3.03 H new ATOM 0 HB VAL A 12 -16.495 -7.079 -2.410 1.00 32.42 H new ATOM 0 HG11 VAL A 12 -17.607 -9.274 -2.410 1.00 62.24 H new ATOM 0 HG12 VAL A 12 -17.739 -8.467 -3.990 1.00 62.24 H new ATOM 0 HG13 VAL A 12 -16.574 -9.793 -3.763 1.00 62.24 H new ATOM 0 HG21 VAL A 12 -15.642 -8.882 -0.967 1.00 4.34 H new ATOM 0 HG22 VAL A 12 -14.528 -9.384 -2.261 1.00 4.34 H new ATOM 0 HG23 VAL A 12 -14.342 -7.788 -1.496 1.00 4.34 H new ATOM 154 N ALA A 13 -16.428 -5.573 -5.009 1.00 65.25 N ATOM 155 CA ALA A 13 -17.334 -4.904 -5.934 1.00 72.53 C ATOM 156 C ALA A 13 -16.967 -5.213 -7.382 1.00 14.50 C ATOM 157 O ALA A 13 -17.838 -5.487 -8.208 1.00 30.52 O ATOM 158 CB ALA A 13 -17.321 -3.402 -5.693 1.00 32.34 C ATOM 0 H ALA A 13 -16.030 -4.964 -4.294 1.00 65.25 H new ATOM 0 HA ALA A 13 -18.341 -5.281 -5.753 1.00 72.53 H new ATOM 0 HB1 ALA A 13 -18.002 -2.916 -6.391 1.00 32.34 H new ATOM 0 HB2 ALA A 13 -17.639 -3.195 -4.671 1.00 32.34 H new ATOM 0 HB3 ALA A 13 -16.312 -3.018 -5.844 1.00 32.34 H new ATOM 164 N ARG A 14 -15.674 -5.164 -7.683 1.00 2.01 N ATOM 165 CA ARG A 14 -15.192 -5.436 -9.032 1.00 35.01 C ATOM 166 C ARG A 14 -15.640 -6.818 -9.501 1.00 11.55 C ATOM 167 O ARG A 14 -16.340 -6.947 -10.505 1.00 62.32 O ATOM 168 CB ARG A 14 -13.667 -5.339 -9.081 1.00 44.42 C ATOM 169 CG ARG A 14 -13.109 -4.132 -8.344 1.00 32.35 C ATOM 170 CD ARG A 14 -12.478 -4.532 -7.019 1.00 61.11 C ATOM 171 NE ARG A 14 -11.032 -4.703 -7.131 1.00 42.54 N ATOM 172 CZ ARG A 14 -10.445 -5.873 -7.356 1.00 40.23 C ATOM 173 NH1 ARG A 14 -11.177 -6.970 -7.493 1.00 10.22 N ATOM 174 NH2 ARG A 14 -9.123 -5.947 -7.446 1.00 32.32 N ATOM 0 H ARG A 14 -14.941 -4.938 -7.011 1.00 2.01 H new ATOM 0 HA ARG A 14 -15.618 -4.688 -9.701 1.00 35.01 H new ATOM 0 HB2 ARG A 14 -13.240 -6.245 -8.652 1.00 44.42 H new ATOM 0 HB3 ARG A 14 -13.347 -5.298 -10.122 1.00 44.42 H new ATOM 0 HG2 ARG A 14 -12.365 -3.635 -8.967 1.00 32.35 H new ATOM 0 HG3 ARG A 14 -13.908 -3.412 -8.165 1.00 32.35 H new ATOM 0 HD2 ARG A 14 -12.696 -3.771 -6.269 1.00 61.11 H new ATOM 0 HD3 ARG A 14 -12.927 -5.462 -6.670 1.00 61.11 H new ATOM 0 HE ARG A 14 -10.440 -3.878 -7.031 1.00 42.54 H new ATOM 0 HH11 ARG A 14 -12.193 -6.917 -7.426 1.00 10.22 H new ATOM 0 HH12 ARG A 14 -10.724 -7.867 -7.666 1.00 10.22 H new ATOM 0 HH21 ARG A 14 -8.557 -5.105 -7.342 1.00 32.32 H new ATOM 0 HH22 ARG A 14 -8.673 -6.846 -7.619 1.00 32.32 H new ATOM 188 N PHE A 15 -15.231 -7.847 -8.766 1.00 51.13 N ATOM 189 CA PHE A 15 -15.588 -9.219 -9.107 1.00 54.03 C ATOM 190 C PHE A 15 -17.102 -9.408 -9.086 1.00 34.01 C ATOM 191 O PHE A 15 -17.666 -10.084 -9.946 1.00 13.55 O ATOM 192 CB PHE A 15 -14.927 -10.197 -8.134 1.00 71.55 C ATOM 193 CG PHE A 15 -15.583 -11.548 -8.105 1.00 21.43 C ATOM 194 CD1 PHE A 15 -15.842 -12.234 -9.281 1.00 3.42 C ATOM 195 CD2 PHE A 15 -15.941 -12.133 -6.900 1.00 50.15 C ATOM 196 CE1 PHE A 15 -16.445 -13.477 -9.257 1.00 24.21 C ATOM 197 CE2 PHE A 15 -16.544 -13.376 -6.870 1.00 62.24 C ATOM 198 CZ PHE A 15 -16.797 -14.049 -8.050 1.00 50.40 C ATOM 0 H PHE A 15 -14.652 -7.757 -7.931 1.00 51.13 H new ATOM 0 HA PHE A 15 -15.228 -9.422 -10.116 1.00 54.03 H new ATOM 0 HB2 PHE A 15 -13.879 -10.317 -8.407 1.00 71.55 H new ATOM 0 HB3 PHE A 15 -14.948 -9.770 -7.131 1.00 71.55 H new ATOM 0 HD1 PHE A 15 -15.569 -11.792 -10.228 1.00 3.42 H new ATOM 0 HD2 PHE A 15 -15.746 -11.611 -5.975 1.00 50.15 H new ATOM 0 HE1 PHE A 15 -16.641 -14.001 -10.181 1.00 24.21 H new ATOM 0 HE2 PHE A 15 -16.817 -13.821 -5.925 1.00 62.24 H new ATOM 0 HZ PHE A 15 -17.269 -15.020 -8.029 1.00 50.40 H new ATOM 208 N ASN A 16 -17.754 -8.806 -8.096 1.00 21.30 N ATOM 209 CA ASN A 16 -19.202 -8.909 -7.961 1.00 14.22 C ATOM 210 C ASN A 16 -19.908 -8.124 -9.062 1.00 74.03 C ATOM 211 O ASN A 16 -21.116 -8.259 -9.257 1.00 0.53 O ATOM 212 CB ASN A 16 -19.645 -8.395 -6.589 1.00 71.13 C ATOM 213 CG ASN A 16 -20.788 -9.206 -6.010 1.00 14.52 C ATOM 214 OD1 ASN A 16 -20.727 -9.657 -4.866 1.00 1.30 O ATOM 215 ND2 ASN A 16 -21.839 -9.394 -6.799 1.00 74.13 N ATOM 0 H ASN A 16 -17.302 -8.242 -7.376 1.00 21.30 H new ATOM 0 HA ASN A 16 -19.477 -9.960 -8.055 1.00 14.22 H new ATOM 0 HB2 ASN A 16 -18.799 -8.423 -5.903 1.00 71.13 H new ATOM 0 HB3 ASN A 16 -19.950 -7.352 -6.676 1.00 71.13 H new ATOM 0 HD21 ASN A 16 -22.639 -9.931 -6.464 1.00 74.13 H new ATOM 0 HD22 ASN A 16 -21.847 -9.002 -7.741 1.00 74.13 H new ATOM 222 N GLU A 17 -19.146 -7.305 -9.780 1.00 63.31 N ATOM 223 CA GLU A 17 -19.699 -6.499 -10.862 1.00 20.11 C ATOM 224 C GLU A 17 -19.647 -7.256 -12.186 1.00 3.10 C ATOM 225 O GLU A 17 -20.620 -7.278 -12.940 1.00 73.33 O ATOM 226 CB GLU A 17 -18.935 -5.179 -10.986 1.00 13.01 C ATOM 227 CG GLU A 17 -19.467 -4.081 -10.081 1.00 14.42 C ATOM 228 CD GLU A 17 -20.582 -3.281 -10.727 1.00 42.11 C ATOM 229 OE1 GLU A 17 -20.273 -2.376 -11.530 1.00 43.42 O ATOM 230 OE2 GLU A 17 -21.762 -3.560 -10.430 1.00 51.51 O ATOM 0 H GLU A 17 -18.144 -7.182 -9.632 1.00 63.31 H new ATOM 0 HA GLU A 17 -20.742 -6.286 -10.626 1.00 20.11 H new ATOM 0 HB2 GLU A 17 -17.885 -5.354 -10.753 1.00 13.01 H new ATOM 0 HB3 GLU A 17 -18.979 -4.839 -12.021 1.00 13.01 H new ATOM 0 HG2 GLU A 17 -19.833 -4.524 -9.155 1.00 14.42 H new ATOM 0 HG3 GLU A 17 -18.651 -3.409 -9.813 1.00 14.42 H new ATOM 237 N LEU A 18 -18.504 -7.874 -12.462 1.00 61.23 N ATOM 238 CA LEU A 18 -18.323 -8.632 -13.695 1.00 61.35 C ATOM 239 C LEU A 18 -18.909 -10.034 -13.564 1.00 32.32 C ATOM 240 O LEU A 18 -19.117 -10.728 -14.559 1.00 63.43 O ATOM 241 CB LEU A 18 -16.838 -8.720 -14.050 1.00 45.54 C ATOM 242 CG LEU A 18 -16.165 -10.069 -13.795 1.00 45.42 C ATOM 243 CD1 LEU A 18 -14.754 -10.078 -14.364 1.00 53.23 C ATOM 244 CD2 LEU A 18 -16.143 -10.380 -12.306 1.00 24.41 C ATOM 0 H LEU A 18 -17.689 -7.865 -11.849 1.00 61.23 H new ATOM 0 HA LEU A 18 -18.851 -8.110 -14.493 1.00 61.35 H new ATOM 0 HB2 LEU A 18 -16.722 -8.473 -15.105 1.00 45.54 H new ATOM 0 HB3 LEU A 18 -16.304 -7.957 -13.483 1.00 45.54 H new ATOM 0 HG LEU A 18 -16.743 -10.843 -14.300 1.00 45.42 H new ATOM 0 HD11 LEU A 18 -14.291 -11.046 -14.173 1.00 53.23 H new ATOM 0 HD12 LEU A 18 -14.794 -9.901 -15.439 1.00 53.23 H new ATOM 0 HD13 LEU A 18 -14.165 -9.294 -13.888 1.00 53.23 H new ATOM 0 HD21 LEU A 18 -15.661 -11.344 -12.143 1.00 24.41 H new ATOM 0 HD22 LEU A 18 -15.588 -9.603 -11.780 1.00 24.41 H new ATOM 0 HD23 LEU A 18 -17.164 -10.417 -11.927 1.00 24.41 H new ATOM 256 N LYS A 19 -19.176 -10.445 -12.329 1.00 13.33 N ATOM 257 CA LYS A 19 -19.742 -11.762 -12.065 1.00 73.33 C ATOM 258 C LYS A 19 -21.262 -11.738 -12.199 1.00 24.51 C ATOM 259 O LYS A 19 -21.890 -12.773 -12.426 1.00 51.31 O ATOM 260 CB LYS A 19 -19.350 -12.238 -10.664 1.00 53.34 C ATOM 261 CG LYS A 19 -19.820 -13.647 -10.347 1.00 4.11 C ATOM 262 CD LYS A 19 -21.153 -13.640 -9.619 1.00 12.23 C ATOM 263 CE LYS A 19 -21.091 -14.451 -8.334 1.00 1.25 C ATOM 264 NZ LYS A 19 -22.356 -15.197 -8.087 1.00 2.03 N ATOM 0 H LYS A 19 -19.009 -9.884 -11.494 1.00 13.33 H new ATOM 0 HA LYS A 19 -19.341 -12.457 -12.803 1.00 73.33 H new ATOM 0 HB2 LYS A 19 -18.265 -12.195 -10.565 1.00 53.34 H new ATOM 0 HB3 LYS A 19 -19.765 -11.551 -9.927 1.00 53.34 H new ATOM 0 HG2 LYS A 19 -19.912 -14.217 -11.271 1.00 4.11 H new ATOM 0 HG3 LYS A 19 -19.073 -14.152 -9.735 1.00 4.11 H new ATOM 0 HD2 LYS A 19 -21.438 -12.613 -9.389 1.00 12.23 H new ATOM 0 HD3 LYS A 19 -21.927 -14.047 -10.270 1.00 12.23 H new ATOM 0 HE2 LYS A 19 -20.260 -15.154 -8.388 1.00 1.25 H new ATOM 0 HE3 LYS A 19 -20.892 -13.786 -7.494 1.00 1.25 H new ATOM 0 HZ1 LYS A 19 -22.273 -15.737 -7.202 1.00 2.03 H new ATOM 0 HZ2 LYS A 19 -23.146 -14.525 -8.010 1.00 2.03 H new ATOM 0 HZ3 LYS A 19 -22.533 -15.851 -8.876 1.00 2.03 H new ATOM 278 N ILE A 20 -21.845 -10.553 -12.058 1.00 2.02 N ATOM 279 CA ILE A 20 -23.290 -10.395 -12.166 1.00 21.44 C ATOM 280 C ILE A 20 -23.703 -10.082 -13.599 1.00 52.35 C ATOM 281 O ILE A 20 -24.892 -10.015 -13.913 1.00 62.01 O ATOM 282 CB ILE A 20 -23.805 -9.279 -11.239 1.00 11.43 C ATOM 283 CG1 ILE A 20 -23.105 -7.956 -11.559 1.00 61.40 C ATOM 284 CG2 ILE A 20 -23.590 -9.659 -9.781 1.00 50.43 C ATOM 285 CD1 ILE A 20 -23.652 -6.779 -10.782 1.00 24.40 C ATOM 0 H ILE A 20 -21.339 -9.688 -11.869 1.00 2.02 H new ATOM 0 HA ILE A 20 -23.735 -11.342 -11.862 1.00 21.44 H new ATOM 0 HB ILE A 20 -24.875 -9.153 -11.407 1.00 11.43 H new ATOM 0 HG12 ILE A 20 -22.040 -8.057 -11.348 1.00 61.40 H new ATOM 0 HG13 ILE A 20 -23.200 -7.753 -12.626 1.00 61.40 H new ATOM 0 HG21 ILE A 20 -23.959 -8.860 -9.138 1.00 50.43 H new ATOM 0 HG22 ILE A 20 -24.130 -10.580 -9.562 1.00 50.43 H new ATOM 0 HG23 ILE A 20 -22.526 -9.810 -9.597 1.00 50.43 H new ATOM 0 HD11 ILE A 20 -23.109 -5.876 -11.060 1.00 24.40 H new ATOM 0 HD12 ILE A 20 -24.710 -6.651 -11.012 1.00 24.40 H new ATOM 0 HD13 ILE A 20 -23.532 -6.961 -9.714 1.00 24.40 H new ATOM 297 N ARG A 21 -22.714 -9.892 -14.467 1.00 11.45 N ATOM 298 CA ARG A 21 -22.975 -9.586 -15.868 1.00 2.41 C ATOM 299 C ARG A 21 -22.316 -10.616 -16.781 1.00 13.31 C ATOM 300 O ARG A 21 -22.878 -11.002 -17.806 1.00 31.40 O ATOM 301 CB ARG A 21 -22.464 -8.185 -16.210 1.00 3.23 C ATOM 302 CG ARG A 21 -23.387 -7.070 -15.746 1.00 40.23 C ATOM 303 CD ARG A 21 -24.659 -7.018 -16.578 1.00 31.21 C ATOM 304 NE ARG A 21 -25.855 -6.938 -15.744 1.00 13.22 N ATOM 305 CZ ARG A 21 -27.092 -6.995 -16.225 1.00 50.02 C ATOM 306 NH1 ARG A 21 -27.294 -7.133 -17.528 1.00 50.33 N ATOM 307 NH2 ARG A 21 -28.130 -6.915 -15.402 1.00 41.13 N ATOM 0 H ARG A 21 -21.725 -9.945 -14.224 1.00 11.45 H new ATOM 0 HA ARG A 21 -24.053 -9.621 -16.027 1.00 2.41 H new ATOM 0 HB2 ARG A 21 -21.483 -8.045 -15.757 1.00 3.23 H new ATOM 0 HB3 ARG A 21 -22.331 -8.109 -17.289 1.00 3.23 H new ATOM 0 HG2 ARG A 21 -23.643 -7.221 -14.697 1.00 40.23 H new ATOM 0 HG3 ARG A 21 -22.867 -6.114 -15.813 1.00 40.23 H new ATOM 0 HD2 ARG A 21 -24.622 -6.155 -17.243 1.00 31.21 H new ATOM 0 HD3 ARG A 21 -24.716 -7.905 -17.209 1.00 31.21 H new ATOM 0 HE ARG A 21 -25.734 -6.833 -14.737 1.00 13.22 H new ATOM 0 HH11 ARG A 21 -26.499 -7.196 -18.164 1.00 50.33 H new ATOM 0 HH12 ARG A 21 -28.245 -7.177 -17.895 1.00 50.33 H new ATOM 0 HH21 ARG A 21 -27.979 -6.810 -14.399 1.00 41.13 H new ATOM 0 HH22 ARG A 21 -29.079 -6.959 -15.773 1.00 41.13 H new ATOM 321 N LYS A 22 -21.121 -11.056 -16.402 1.00 73.32 N ATOM 322 CA LYS A 22 -20.385 -12.042 -17.185 1.00 13.10 C ATOM 323 C LYS A 22 -20.127 -11.531 -18.599 1.00 35.20 C ATOM 324 O LYS A 22 -19.768 -12.299 -19.492 1.00 74.23 O ATOM 325 CB LYS A 22 -21.160 -13.361 -17.241 1.00 3.41 C ATOM 326 CG LYS A 22 -21.171 -14.116 -15.923 1.00 45.02 C ATOM 327 CD LYS A 22 -21.968 -15.405 -16.026 1.00 71.30 C ATOM 328 CE LYS A 22 -21.969 -16.167 -14.709 1.00 52.52 C ATOM 329 NZ LYS A 22 -20.605 -16.636 -14.339 1.00 34.21 N ATOM 0 H LYS A 22 -20.641 -10.745 -15.557 1.00 73.32 H new ATOM 0 HA LYS A 22 -19.425 -12.212 -16.698 1.00 13.10 H new ATOM 0 HB2 LYS A 22 -22.188 -13.157 -17.542 1.00 3.41 H new ATOM 0 HB3 LYS A 22 -20.723 -13.997 -18.011 1.00 3.41 H new ATOM 0 HG2 LYS A 22 -20.148 -14.343 -15.624 1.00 45.02 H new ATOM 0 HG3 LYS A 22 -21.598 -13.484 -15.144 1.00 45.02 H new ATOM 0 HD2 LYS A 22 -22.994 -15.178 -16.317 1.00 71.30 H new ATOM 0 HD3 LYS A 22 -21.546 -16.033 -16.811 1.00 71.30 H new ATOM 0 HE2 LYS A 22 -22.359 -15.526 -13.919 1.00 52.52 H new ATOM 0 HE3 LYS A 22 -22.639 -17.023 -14.785 1.00 52.52 H new ATOM 0 HZ1 LYS A 22 -20.671 -17.303 -13.544 1.00 34.21 H new ATOM 0 HZ2 LYS A 22 -20.168 -17.112 -15.154 1.00 34.21 H new ATOM 0 HZ3 LYS A 22 -20.022 -15.821 -14.060 1.00 34.21 H new ATOM 343 N THR A 23 -20.311 -10.229 -18.796 1.00 74.30 N ATOM 344 CA THR A 23 -20.098 -9.616 -20.101 1.00 35.21 C ATOM 345 C THR A 23 -19.217 -8.378 -19.989 1.00 43.22 C ATOM 346 O THR A 23 -19.382 -7.416 -20.739 1.00 15.50 O ATOM 347 CB THR A 23 -21.433 -9.224 -20.762 1.00 34.11 C ATOM 348 OG1 THR A 23 -22.461 -10.143 -20.374 1.00 63.23 O ATOM 349 CG2 THR A 23 -21.303 -9.211 -22.278 1.00 13.35 C ATOM 0 H THR A 23 -20.607 -9.579 -18.068 1.00 74.30 H new ATOM 0 HA THR A 23 -19.598 -10.360 -20.722 1.00 35.21 H new ATOM 0 HB THR A 23 -21.698 -8.221 -20.427 1.00 34.11 H new ATOM 0 HG1 THR A 23 -22.516 -10.178 -19.396 1.00 63.23 H new ATOM 0 HG21 THR A 23 -22.258 -8.931 -22.723 1.00 13.35 H new ATOM 0 HG22 THR A 23 -20.541 -8.489 -22.572 1.00 13.35 H new ATOM 0 HG23 THR A 23 -21.017 -10.203 -22.627 1.00 13.35 H new ATOM 357 N VAL A 24 -18.278 -8.408 -19.049 1.00 22.34 N ATOM 358 CA VAL A 24 -17.368 -7.288 -18.840 1.00 61.31 C ATOM 359 C VAL A 24 -18.112 -6.066 -18.315 1.00 13.12 C ATOM 360 O VAL A 24 -18.660 -5.279 -19.087 1.00 42.12 O ATOM 361 CB VAL A 24 -16.636 -6.910 -20.141 1.00 50.04 C ATOM 362 CG1 VAL A 24 -16.063 -5.504 -20.043 1.00 21.53 C ATOM 363 CG2 VAL A 24 -15.542 -7.920 -20.450 1.00 25.53 C ATOM 0 H VAL A 24 -18.127 -9.196 -18.420 1.00 22.34 H new ATOM 0 HA VAL A 24 -16.635 -7.609 -18.100 1.00 61.31 H new ATOM 0 HB VAL A 24 -17.356 -6.927 -20.960 1.00 50.04 H new ATOM 0 HG11 VAL A 24 -15.550 -5.255 -20.972 1.00 21.53 H new ATOM 0 HG12 VAL A 24 -16.871 -4.793 -19.873 1.00 21.53 H new ATOM 0 HG13 VAL A 24 -15.357 -5.456 -19.214 1.00 21.53 H new ATOM 0 HG21 VAL A 24 -15.035 -7.637 -21.373 1.00 25.53 H new ATOM 0 HG22 VAL A 24 -14.822 -7.938 -19.632 1.00 25.53 H new ATOM 0 HG23 VAL A 24 -15.983 -8.910 -20.567 1.00 25.53 H new ATOM 373 N LYS A 25 -18.129 -5.912 -16.995 1.00 44.01 N ATOM 374 CA LYS A 25 -18.804 -4.784 -16.364 1.00 70.32 C ATOM 375 C LYS A 25 -17.881 -3.572 -16.285 1.00 32.41 C ATOM 376 O LYS A 25 -18.232 -2.551 -15.694 1.00 73.02 O ATOM 377 CB LYS A 25 -19.280 -5.169 -14.961 1.00 53.55 C ATOM 378 CG LYS A 25 -19.981 -4.039 -14.226 1.00 44.13 C ATOM 379 CD LYS A 25 -21.240 -4.524 -13.528 1.00 71.33 C ATOM 380 CE LYS A 25 -22.257 -3.404 -13.371 1.00 20.21 C ATOM 381 NZ LYS A 25 -23.199 -3.345 -14.522 1.00 55.03 N ATOM 0 H LYS A 25 -17.682 -6.555 -16.341 1.00 44.01 H new ATOM 0 HA LYS A 25 -19.668 -4.521 -16.975 1.00 70.32 H new ATOM 0 HB2 LYS A 25 -19.959 -6.018 -15.037 1.00 53.55 H new ATOM 0 HB3 LYS A 25 -18.423 -5.497 -14.373 1.00 53.55 H new ATOM 0 HG2 LYS A 25 -19.302 -3.604 -13.493 1.00 44.13 H new ATOM 0 HG3 LYS A 25 -20.237 -3.248 -14.931 1.00 44.13 H new ATOM 0 HD2 LYS A 25 -21.682 -5.341 -14.099 1.00 71.33 H new ATOM 0 HD3 LYS A 25 -20.983 -4.923 -12.547 1.00 71.33 H new ATOM 0 HE2 LYS A 25 -22.819 -3.551 -12.449 1.00 20.21 H new ATOM 0 HE3 LYS A 25 -21.736 -2.451 -13.279 1.00 20.21 H new ATOM 0 HZ1 LYS A 25 -23.876 -2.569 -14.377 1.00 55.03 H new ATOM 0 HZ2 LYS A 25 -22.665 -3.180 -15.399 1.00 55.03 H new ATOM 0 HZ3 LYS A 25 -23.715 -4.245 -14.595 1.00 55.03 H new ATOM 395 N TRP A 26 -16.702 -3.692 -16.884 1.00 72.52 N ATOM 396 CA TRP A 26 -15.730 -2.605 -16.882 1.00 62.32 C ATOM 397 C TRP A 26 -15.610 -1.985 -15.495 1.00 25.14 C ATOM 398 O TRP A 26 -16.322 -1.036 -15.165 1.00 62.04 O ATOM 399 CB TRP A 26 -16.128 -1.535 -17.900 1.00 34.31 C ATOM 400 CG TRP A 26 -15.750 -0.147 -17.481 1.00 43.12 C ATOM 401 CD1 TRP A 26 -16.590 0.832 -17.034 1.00 11.22 C ATOM 402 CD2 TRP A 26 -14.434 0.417 -17.473 1.00 25.31 C ATOM 403 NE1 TRP A 26 -15.876 1.971 -16.748 1.00 64.40 N ATOM 404 CE2 TRP A 26 -14.550 1.741 -17.008 1.00 55.31 C ATOM 405 CE3 TRP A 26 -13.168 -0.069 -17.811 1.00 24.11 C ATOM 406 CZ2 TRP A 26 -13.449 2.583 -16.875 1.00 14.00 C ATOM 407 CZ3 TRP A 26 -12.076 0.768 -17.679 1.00 21.35 C ATOM 408 CH2 TRP A 26 -12.222 2.081 -17.213 1.00 51.32 C ATOM 0 H TRP A 26 -16.396 -4.531 -17.377 1.00 72.52 H new ATOM 0 HA TRP A 26 -14.760 -3.018 -17.160 1.00 62.32 H new ATOM 0 HB2 TRP A 26 -15.655 -1.760 -18.856 1.00 34.31 H new ATOM 0 HB3 TRP A 26 -17.205 -1.578 -18.059 1.00 34.31 H new ATOM 0 HD1 TRP A 26 -17.659 0.727 -16.922 1.00 11.22 H new ATOM 0 HE1 TRP A 26 -16.269 2.845 -16.399 1.00 64.40 H new ATOM 0 HE3 TRP A 26 -13.045 -1.081 -18.169 1.00 24.11 H new ATOM 0 HZ2 TRP A 26 -13.560 3.596 -16.518 1.00 14.00 H new ATOM 0 HZ3 TRP A 26 -11.093 0.403 -17.940 1.00 21.35 H new ATOM 0 HH2 TRP A 26 -11.349 2.709 -17.119 1.00 51.32 H new ATOM 419 N ILE A 27 -14.705 -2.526 -14.686 1.00 31.34 N ATOM 420 CA ILE A 27 -14.492 -2.024 -13.334 1.00 62.01 C ATOM 421 C ILE A 27 -13.018 -1.723 -13.086 1.00 3.22 C ATOM 422 O ILE A 27 -12.174 -2.618 -13.130 1.00 21.12 O ATOM 423 CB ILE A 27 -14.984 -3.029 -12.276 1.00 12.22 C ATOM 424 CG1 ILE A 27 -14.626 -4.457 -12.691 1.00 61.14 C ATOM 425 CG2 ILE A 27 -16.486 -2.891 -12.073 1.00 63.20 C ATOM 426 CD1 ILE A 27 -15.808 -5.254 -13.197 1.00 51.22 C ATOM 0 H ILE A 27 -14.108 -3.312 -14.943 1.00 31.34 H new ATOM 0 HA ILE A 27 -15.069 -1.104 -13.245 1.00 62.01 H new ATOM 0 HB ILE A 27 -14.487 -2.811 -11.331 1.00 12.22 H new ATOM 0 HG12 ILE A 27 -13.863 -4.420 -13.469 1.00 61.14 H new ATOM 0 HG13 ILE A 27 -14.187 -4.975 -11.838 1.00 61.14 H new ATOM 0 HG21 ILE A 27 -16.819 -3.608 -11.322 1.00 63.20 H new ATOM 0 HG22 ILE A 27 -16.716 -1.880 -11.737 1.00 63.20 H new ATOM 0 HG23 ILE A 27 -17.000 -3.086 -13.014 1.00 63.20 H new ATOM 0 HD11 ILE A 27 -15.480 -6.256 -13.473 1.00 51.22 H new ATOM 0 HD12 ILE A 27 -16.563 -5.322 -12.414 1.00 51.22 H new ATOM 0 HD13 ILE A 27 -16.234 -4.759 -14.069 1.00 51.22 H new ATOM 438 N VAL A 28 -12.714 -0.456 -12.823 1.00 14.53 N ATOM 439 CA VAL A 28 -11.342 -0.036 -12.564 1.00 14.30 C ATOM 440 C VAL A 28 -11.125 0.249 -11.082 1.00 51.52 C ATOM 441 O VAL A 28 -11.631 1.237 -10.548 1.00 74.51 O ATOM 442 CB VAL A 28 -10.977 1.221 -13.376 1.00 53.03 C ATOM 443 CG1 VAL A 28 -9.804 1.948 -12.737 1.00 11.10 C ATOM 444 CG2 VAL A 28 -10.664 0.851 -14.818 1.00 61.40 C ATOM 0 H VAL A 28 -13.400 0.298 -12.784 1.00 14.53 H new ATOM 0 HA VAL A 28 -10.696 -0.858 -12.871 1.00 14.30 H new ATOM 0 HB VAL A 28 -11.834 1.894 -13.375 1.00 53.03 H new ATOM 0 HG11 VAL A 28 -9.561 2.833 -13.325 1.00 11.10 H new ATOM 0 HG12 VAL A 28 -10.070 2.247 -11.723 1.00 11.10 H new ATOM 0 HG13 VAL A 28 -8.939 1.285 -12.704 1.00 11.10 H new ATOM 0 HG21 VAL A 28 -10.408 1.751 -15.377 1.00 61.40 H new ATOM 0 HG22 VAL A 28 -9.823 0.158 -14.841 1.00 61.40 H new ATOM 0 HG23 VAL A 28 -11.536 0.379 -15.270 1.00 61.40 H new ATOM 454 N PHE A 29 -10.368 -0.621 -10.423 1.00 33.25 N ATOM 455 CA PHE A 29 -10.084 -0.464 -9.001 1.00 44.40 C ATOM 456 C PHE A 29 -8.721 0.189 -8.788 1.00 51.43 C ATOM 457 O PHE A 29 -7.756 -0.117 -9.489 1.00 54.34 O ATOM 458 CB PHE A 29 -10.126 -1.822 -8.297 1.00 54.51 C ATOM 459 CG PHE A 29 -9.131 -2.808 -8.837 1.00 71.31 C ATOM 460 CD1 PHE A 29 -9.465 -3.641 -9.893 1.00 24.30 C ATOM 461 CD2 PHE A 29 -7.862 -2.903 -8.289 1.00 40.43 C ATOM 462 CE1 PHE A 29 -8.551 -4.551 -10.391 1.00 42.41 C ATOM 463 CE2 PHE A 29 -6.944 -3.810 -8.784 1.00 3.24 C ATOM 464 CZ PHE A 29 -7.288 -4.634 -9.837 1.00 35.23 C ATOM 0 H PHE A 29 -9.940 -1.442 -10.850 1.00 33.25 H new ATOM 0 HA PHE A 29 -10.849 0.183 -8.573 1.00 44.40 H new ATOM 0 HB2 PHE A 29 -9.940 -1.676 -7.233 1.00 54.51 H new ATOM 0 HB3 PHE A 29 -11.128 -2.240 -8.391 1.00 54.51 H new ATOM 0 HD1 PHE A 29 -10.450 -3.579 -10.332 1.00 24.30 H new ATOM 0 HD2 PHE A 29 -7.587 -2.261 -7.465 1.00 40.43 H new ATOM 0 HE1 PHE A 29 -8.824 -5.197 -11.213 1.00 42.41 H new ATOM 0 HE2 PHE A 29 -5.958 -3.874 -8.347 1.00 3.24 H new ATOM 0 HZ PHE A 29 -6.571 -5.342 -10.227 1.00 35.23 H new ATOM 474 N LYS A 30 -8.650 1.092 -7.816 1.00 23.02 N ATOM 475 CA LYS A 30 -7.407 1.789 -7.508 1.00 43.32 C ATOM 476 C LYS A 30 -6.949 1.483 -6.086 1.00 24.01 C ATOM 477 O LYS A 30 -7.692 1.691 -5.126 1.00 61.43 O ATOM 478 CB LYS A 30 -7.588 3.299 -7.683 1.00 31.21 C ATOM 479 CG LYS A 30 -6.656 4.128 -6.816 1.00 72.20 C ATOM 480 CD LYS A 30 -7.386 4.722 -5.623 1.00 41.42 C ATOM 481 CE LYS A 30 -6.488 4.788 -4.397 1.00 14.30 C ATOM 482 NZ LYS A 30 -5.490 5.888 -4.499 1.00 0.52 N ATOM 0 H LYS A 30 -9.439 1.358 -7.228 1.00 23.02 H new ATOM 0 HA LYS A 30 -6.642 1.438 -8.201 1.00 43.32 H new ATOM 0 HB2 LYS A 30 -7.423 3.557 -8.729 1.00 31.21 H new ATOM 0 HB3 LYS A 30 -8.619 3.562 -7.448 1.00 31.21 H new ATOM 0 HG2 LYS A 30 -5.832 3.505 -6.467 1.00 72.20 H new ATOM 0 HG3 LYS A 30 -6.219 4.929 -7.412 1.00 72.20 H new ATOM 0 HD2 LYS A 30 -7.738 5.723 -5.872 1.00 41.42 H new ATOM 0 HD3 LYS A 30 -8.267 4.121 -5.398 1.00 41.42 H new ATOM 0 HE2 LYS A 30 -7.099 4.934 -3.506 1.00 14.30 H new ATOM 0 HE3 LYS A 30 -5.969 3.837 -4.275 1.00 14.30 H new ATOM 0 HZ1 LYS A 30 -4.549 5.529 -4.238 1.00 0.52 H new ATOM 0 HZ2 LYS A 30 -5.466 6.245 -5.475 1.00 0.52 H new ATOM 0 HZ3 LYS A 30 -5.757 6.660 -3.855 1.00 0.52 H new ATOM 496 N ILE A 31 -5.721 0.990 -5.958 1.00 34.03 N ATOM 497 CA ILE A 31 -5.164 0.658 -4.652 1.00 55.13 C ATOM 498 C ILE A 31 -4.475 1.866 -4.026 1.00 34.55 C ATOM 499 O ILE A 31 -3.565 2.447 -4.614 1.00 51.35 O ATOM 500 CB ILE A 31 -4.156 -0.502 -4.749 1.00 2.42 C ATOM 501 CG1 ILE A 31 -3.101 -0.202 -5.816 1.00 54.23 C ATOM 502 CG2 ILE A 31 -4.876 -1.805 -5.059 1.00 62.42 C ATOM 503 CD1 ILE A 31 -1.682 -0.412 -5.339 1.00 65.51 C ATOM 0 H ILE A 31 -5.094 0.812 -6.742 1.00 34.03 H new ATOM 0 HA ILE A 31 -5.998 0.351 -4.021 1.00 55.13 H new ATOM 0 HB ILE A 31 -3.653 -0.608 -3.788 1.00 2.42 H new ATOM 0 HG12 ILE A 31 -3.282 -0.838 -6.683 1.00 54.23 H new ATOM 0 HG13 ILE A 31 -3.215 0.830 -6.148 1.00 54.23 H new ATOM 0 HG21 ILE A 31 -4.150 -2.615 -5.124 1.00 62.42 H new ATOM 0 HG22 ILE A 31 -5.592 -2.022 -4.266 1.00 62.42 H new ATOM 0 HG23 ILE A 31 -5.403 -1.713 -6.009 1.00 62.42 H new ATOM 0 HD11 ILE A 31 -0.988 -0.181 -6.147 1.00 65.51 H new ATOM 0 HD12 ILE A 31 -1.483 0.243 -4.491 1.00 65.51 H new ATOM 0 HD13 ILE A 31 -1.550 -1.450 -5.034 1.00 65.51 H new ATOM 515 N GLU A 32 -4.915 2.235 -2.827 1.00 34.03 N ATOM 516 CA GLU A 32 -4.340 3.373 -2.120 1.00 24.13 C ATOM 517 C GLU A 32 -3.222 2.923 -1.184 1.00 23.24 C ATOM 518 O GLU A 32 -2.779 1.776 -1.234 1.00 54.04 O ATOM 519 CB GLU A 32 -5.421 4.108 -1.325 1.00 23.25 C ATOM 520 CG GLU A 32 -5.322 5.621 -1.418 1.00 11.21 C ATOM 521 CD GLU A 32 -5.112 6.277 -0.067 1.00 31.43 C ATOM 522 OE1 GLU A 32 -5.711 5.802 0.921 1.00 1.35 O ATOM 523 OE2 GLU A 32 -4.350 7.263 0.003 1.00 41.12 O ATOM 0 H GLU A 32 -5.667 1.763 -2.325 1.00 34.03 H new ATOM 0 HA GLU A 32 -3.919 4.053 -2.861 1.00 24.13 H new ATOM 0 HB2 GLU A 32 -6.401 3.794 -1.684 1.00 23.25 H new ATOM 0 HB3 GLU A 32 -5.355 3.812 -0.278 1.00 23.25 H new ATOM 0 HG2 GLU A 32 -4.497 5.887 -2.079 1.00 11.21 H new ATOM 0 HG3 GLU A 32 -6.233 6.014 -1.871 1.00 11.21 H new ATOM 530 N ASN A 33 -2.770 3.835 -0.330 1.00 5.52 N ATOM 531 CA ASN A 33 -1.702 3.534 0.617 1.00 35.45 C ATOM 532 C ASN A 33 -2.169 2.518 1.657 1.00 45.35 C ATOM 533 O ASN A 33 -2.706 2.885 2.702 1.00 33.31 O ATOM 534 CB ASN A 33 -1.233 4.813 1.313 1.00 23.10 C ATOM 535 CG ASN A 33 -0.681 5.833 0.336 1.00 53.21 C ATOM 536 OD1 ASN A 33 -0.179 5.479 -0.731 1.00 2.12 O ATOM 537 ND2 ASN A 33 -0.773 7.108 0.697 1.00 21.21 N ATOM 0 H ASN A 33 -3.127 4.789 -0.274 1.00 5.52 H new ATOM 0 HA ASN A 33 -0.868 3.104 0.062 1.00 35.45 H new ATOM 0 HB2 ASN A 33 -2.067 5.252 1.860 1.00 23.10 H new ATOM 0 HB3 ASN A 33 -0.466 4.564 2.046 1.00 23.10 H new ATOM 0 HD21 ASN A 33 -0.420 7.839 0.080 1.00 21.21 H new ATOM 0 HD22 ASN A 33 -1.197 7.356 1.591 1.00 21.21 H new ATOM 544 N THR A 34 -1.958 1.239 1.362 1.00 52.10 N ATOM 545 CA THR A 34 -2.357 0.170 2.269 1.00 4.32 C ATOM 546 C THR A 34 -3.873 0.017 2.306 1.00 42.01 C ATOM 547 O THR A 34 -4.472 -0.080 3.377 1.00 1.01 O ATOM 548 CB THR A 34 -1.843 0.426 3.699 1.00 52.33 C ATOM 549 OG1 THR A 34 -0.690 1.275 3.661 1.00 74.04 O ATOM 550 CG2 THR A 34 -1.493 -0.883 4.390 1.00 1.54 C ATOM 0 H THR A 34 -1.513 0.918 0.502 1.00 52.10 H new ATOM 0 HA THR A 34 -1.911 -0.749 1.889 1.00 4.32 H new ATOM 0 HB THR A 34 -2.636 0.916 4.264 1.00 52.33 H new ATOM 0 HG1 THR A 34 -0.371 1.434 4.574 1.00 74.04 H new ATOM 0 HG21 THR A 34 -1.132 -0.677 5.398 1.00 1.54 H new ATOM 0 HG22 THR A 34 -2.380 -1.515 4.444 1.00 1.54 H new ATOM 0 HG23 THR A 34 -0.716 -1.396 3.824 1.00 1.54 H new ATOM 558 N LYS A 35 -4.489 -0.005 1.129 1.00 12.10 N ATOM 559 CA LYS A 35 -5.936 -0.149 1.025 1.00 15.34 C ATOM 560 C LYS A 35 -6.366 -0.288 -0.431 1.00 74.05 C ATOM 561 O LYS A 35 -5.614 0.050 -1.345 1.00 42.44 O ATOM 562 CB LYS A 35 -6.636 1.055 1.662 1.00 70.52 C ATOM 563 CG LYS A 35 -8.136 0.875 1.815 1.00 75.14 C ATOM 564 CD LYS A 35 -8.470 -0.381 2.602 1.00 14.12 C ATOM 565 CE LYS A 35 -7.826 -0.362 3.980 1.00 33.50 C ATOM 566 NZ LYS A 35 -8.360 -1.442 4.856 1.00 12.43 N ATOM 0 H LYS A 35 -4.008 0.075 0.233 1.00 12.10 H new ATOM 0 HA LYS A 35 -6.225 -1.054 1.559 1.00 15.34 H new ATOM 0 HB2 LYS A 35 -6.199 1.242 2.643 1.00 70.52 H new ATOM 0 HB3 LYS A 35 -6.445 1.939 1.054 1.00 70.52 H new ATOM 0 HG2 LYS A 35 -8.558 1.744 2.319 1.00 75.14 H new ATOM 0 HG3 LYS A 35 -8.599 0.822 0.830 1.00 75.14 H new ATOM 0 HD2 LYS A 35 -9.551 -0.470 2.706 1.00 14.12 H new ATOM 0 HD3 LYS A 35 -8.129 -1.258 2.052 1.00 14.12 H new ATOM 0 HE2 LYS A 35 -6.747 -0.477 3.878 1.00 33.50 H new ATOM 0 HE3 LYS A 35 -8.001 0.606 4.449 1.00 33.50 H new ATOM 0 HZ1 LYS A 35 -7.897 -1.396 5.786 1.00 12.43 H new ATOM 0 HZ2 LYS A 35 -9.386 -1.318 4.974 1.00 12.43 H new ATOM 0 HZ3 LYS A 35 -8.171 -2.367 4.421 1.00 12.43 H new ATOM 580 N ILE A 36 -7.580 -0.787 -0.640 1.00 53.52 N ATOM 581 CA ILE A 36 -8.110 -0.967 -1.986 1.00 32.50 C ATOM 582 C ILE A 36 -9.476 -0.305 -2.133 1.00 2.02 C ATOM 583 O ILE A 36 -10.252 -0.241 -1.180 1.00 13.54 O ATOM 584 CB ILE A 36 -8.235 -2.460 -2.346 1.00 44.31 C ATOM 585 CG1 ILE A 36 -6.854 -3.119 -2.367 1.00 1.41 C ATOM 586 CG2 ILE A 36 -8.926 -2.624 -3.691 1.00 73.11 C ATOM 587 CD1 ILE A 36 -6.891 -4.607 -2.102 1.00 22.41 C ATOM 0 H ILE A 36 -8.215 -1.074 0.105 1.00 53.52 H new ATOM 0 HA ILE A 36 -7.404 -0.494 -2.669 1.00 32.50 H new ATOM 0 HB ILE A 36 -8.841 -2.953 -1.586 1.00 44.31 H new ATOM 0 HG12 ILE A 36 -6.391 -2.942 -3.338 1.00 1.41 H new ATOM 0 HG13 ILE A 36 -6.221 -2.641 -1.620 1.00 1.41 H new ATOM 0 HG21 ILE A 36 -9.007 -3.684 -3.932 1.00 73.11 H new ATOM 0 HG22 ILE A 36 -9.923 -2.185 -3.644 1.00 73.11 H new ATOM 0 HG23 ILE A 36 -8.344 -2.120 -4.463 1.00 73.11 H new ATOM 0 HD11 ILE A 36 -5.878 -5.007 -2.132 1.00 22.41 H new ATOM 0 HD12 ILE A 36 -7.325 -4.791 -1.119 1.00 22.41 H new ATOM 0 HD13 ILE A 36 -7.497 -5.097 -2.864 1.00 22.41 H new ATOM 599 N VAL A 37 -9.764 0.185 -3.334 1.00 44.24 N ATOM 600 CA VAL A 37 -11.037 0.840 -3.608 1.00 11.42 C ATOM 601 C VAL A 37 -11.379 0.780 -5.092 1.00 61.53 C ATOM 602 O VAL A 37 -10.544 0.411 -5.918 1.00 63.32 O ATOM 603 CB VAL A 37 -11.019 2.313 -3.156 1.00 60.14 C ATOM 604 CG1 VAL A 37 -11.202 2.412 -1.650 1.00 24.14 C ATOM 605 CG2 VAL A 37 -9.726 2.987 -3.590 1.00 72.05 C ATOM 0 H VAL A 37 -9.132 0.141 -4.134 1.00 44.24 H new ATOM 0 HA VAL A 37 -11.797 0.302 -3.041 1.00 11.42 H new ATOM 0 HB VAL A 37 -11.850 2.832 -3.633 1.00 60.14 H new ATOM 0 HG11 VAL A 37 -11.187 3.460 -1.350 1.00 24.14 H new ATOM 0 HG12 VAL A 37 -12.157 1.968 -1.370 1.00 24.14 H new ATOM 0 HG13 VAL A 37 -10.394 1.879 -1.149 1.00 24.14 H new ATOM 0 HG21 VAL A 37 -9.730 4.027 -3.263 1.00 72.05 H new ATOM 0 HG22 VAL A 37 -8.878 2.469 -3.143 1.00 72.05 H new ATOM 0 HG23 VAL A 37 -9.643 2.949 -4.676 1.00 72.05 H new ATOM 615 N VAL A 38 -12.613 1.144 -5.425 1.00 41.43 N ATOM 616 CA VAL A 38 -13.066 1.133 -6.811 1.00 42.12 C ATOM 617 C VAL A 38 -13.165 2.549 -7.368 1.00 72.34 C ATOM 618 O VAL A 38 -13.550 3.479 -6.661 1.00 33.33 O ATOM 619 CB VAL A 38 -14.435 0.442 -6.948 1.00 73.25 C ATOM 620 CG1 VAL A 38 -15.417 0.994 -5.927 1.00 14.41 C ATOM 621 CG2 VAL A 38 -14.975 0.605 -8.361 1.00 42.04 C ATOM 0 H VAL A 38 -13.317 1.450 -4.754 1.00 41.43 H new ATOM 0 HA VAL A 38 -12.326 0.572 -7.382 1.00 42.12 H new ATOM 0 HB VAL A 38 -14.306 -0.623 -6.753 1.00 73.25 H new ATOM 0 HG11 VAL A 38 -16.379 0.493 -6.040 1.00 14.41 H new ATOM 0 HG12 VAL A 38 -15.033 0.820 -4.922 1.00 14.41 H new ATOM 0 HG13 VAL A 38 -15.544 2.065 -6.087 1.00 14.41 H new ATOM 0 HG21 VAL A 38 -15.943 0.110 -8.440 1.00 42.04 H new ATOM 0 HG22 VAL A 38 -15.090 1.665 -8.587 1.00 42.04 H new ATOM 0 HG23 VAL A 38 -14.280 0.156 -9.070 1.00 42.04 H new ATOM 631 N GLU A 39 -12.816 2.704 -8.642 1.00 24.44 N ATOM 632 CA GLU A 39 -12.866 4.007 -9.294 1.00 25.14 C ATOM 633 C GLU A 39 -14.029 4.078 -10.279 1.00 45.20 C ATOM 634 O GLU A 39 -14.884 4.959 -10.185 1.00 71.42 O ATOM 635 CB GLU A 39 -11.549 4.289 -10.020 1.00 41.14 C ATOM 636 CG GLU A 39 -10.336 4.289 -9.105 1.00 72.21 C ATOM 637 CD GLU A 39 -10.210 5.570 -8.304 1.00 3.01 C ATOM 638 OE1 GLU A 39 -10.397 6.657 -8.891 1.00 24.35 O ATOM 639 OE2 GLU A 39 -9.924 5.486 -7.091 1.00 42.43 O ATOM 0 H GLU A 39 -12.496 1.944 -9.242 1.00 24.44 H new ATOM 0 HA GLU A 39 -13.018 4.765 -8.525 1.00 25.14 H new ATOM 0 HB2 GLU A 39 -11.406 3.540 -10.799 1.00 41.14 H new ATOM 0 HB3 GLU A 39 -11.618 5.256 -10.517 1.00 41.14 H new ATOM 0 HG2 GLU A 39 -10.401 3.442 -8.422 1.00 72.21 H new ATOM 0 HG3 GLU A 39 -9.435 4.148 -9.702 1.00 72.21 H new ATOM 646 N LYS A 40 -14.053 3.145 -11.225 1.00 1.13 N ATOM 647 CA LYS A 40 -15.110 3.100 -12.228 1.00 62.51 C ATOM 648 C LYS A 40 -15.926 1.817 -12.101 1.00 10.32 C ATOM 649 O LYS A 40 -15.487 0.850 -11.478 1.00 14.45 O ATOM 650 CB LYS A 40 -14.512 3.199 -13.633 1.00 62.43 C ATOM 651 CG LYS A 40 -14.134 4.614 -14.035 1.00 71.22 C ATOM 652 CD LYS A 40 -12.653 4.726 -14.356 1.00 71.12 C ATOM 653 CE LYS A 40 -11.813 4.807 -13.091 1.00 11.32 C ATOM 654 NZ LYS A 40 -10.515 5.497 -13.330 1.00 53.20 N ATOM 0 H LYS A 40 -13.352 2.410 -11.318 1.00 1.13 H new ATOM 0 HA LYS A 40 -15.772 3.949 -12.061 1.00 62.51 H new ATOM 0 HB2 LYS A 40 -13.626 2.566 -13.687 1.00 62.43 H new ATOM 0 HB3 LYS A 40 -15.230 2.805 -14.353 1.00 62.43 H new ATOM 0 HG2 LYS A 40 -14.719 4.915 -14.904 1.00 71.22 H new ATOM 0 HG3 LYS A 40 -14.385 5.302 -13.228 1.00 71.22 H new ATOM 0 HD2 LYS A 40 -12.341 3.864 -14.946 1.00 71.12 H new ATOM 0 HD3 LYS A 40 -12.478 5.611 -14.967 1.00 71.12 H new ATOM 0 HE2 LYS A 40 -12.370 5.338 -12.319 1.00 11.32 H new ATOM 0 HE3 LYS A 40 -11.626 3.801 -12.714 1.00 11.32 H new ATOM 0 HZ1 LYS A 40 -9.736 4.903 -12.980 1.00 53.20 H new ATOM 0 HZ2 LYS A 40 -10.393 5.663 -14.349 1.00 53.20 H new ATOM 0 HZ3 LYS A 40 -10.508 6.408 -12.828 1.00 53.20 H new ATOM 668 N ASP A 41 -17.114 1.816 -12.696 1.00 64.10 N ATOM 669 CA ASP A 41 -17.990 0.651 -12.651 1.00 50.22 C ATOM 670 C ASP A 41 -19.317 0.942 -13.346 1.00 4.32 C ATOM 671 O ASP A 41 -19.998 1.914 -13.022 1.00 73.12 O ATOM 672 CB ASP A 41 -18.240 0.230 -11.202 1.00 53.03 C ATOM 673 CG ASP A 41 -18.566 1.408 -10.305 1.00 73.12 C ATOM 674 OD1 ASP A 41 -17.623 2.014 -9.756 1.00 62.20 O ATOM 675 OD2 ASP A 41 -19.765 1.723 -10.152 1.00 11.25 O ATOM 0 H ASP A 41 -17.492 2.609 -13.215 1.00 64.10 H new ATOM 0 HA ASP A 41 -17.496 -0.165 -13.178 1.00 50.22 H new ATOM 0 HB2 ASP A 41 -19.062 -0.485 -11.171 1.00 53.03 H new ATOM 0 HB3 ASP A 41 -17.358 -0.282 -10.818 1.00 53.03 H new ATOM 680 N GLY A 42 -19.676 0.093 -14.304 1.00 13.31 N ATOM 681 CA GLY A 42 -20.919 0.277 -15.030 1.00 52.40 C ATOM 682 C GLY A 42 -20.777 -0.025 -16.509 1.00 11.44 C ATOM 683 O GLY A 42 -21.391 0.635 -17.347 1.00 55.30 O ATOM 0 H GLY A 42 -19.128 -0.719 -14.590 1.00 13.31 H new ATOM 0 HA2 GLY A 42 -21.685 -0.370 -14.602 1.00 52.40 H new ATOM 0 HA3 GLY A 42 -21.262 1.304 -14.903 1.00 52.40 H new ATOM 687 N LYS A 43 -19.963 -1.024 -16.831 1.00 71.11 N ATOM 688 CA LYS A 43 -19.741 -1.413 -18.219 1.00 23.03 C ATOM 689 C LYS A 43 -19.128 -0.265 -19.014 1.00 4.21 C ATOM 690 O LYS A 43 -19.249 0.900 -18.636 1.00 31.53 O ATOM 691 CB LYS A 43 -21.057 -1.849 -18.865 1.00 35.20 C ATOM 692 CG LYS A 43 -21.349 -3.332 -18.710 1.00 52.23 C ATOM 693 CD LYS A 43 -22.186 -3.859 -19.864 1.00 44.12 C ATOM 694 CE LYS A 43 -22.350 -5.369 -19.789 1.00 60.12 C ATOM 695 NZ LYS A 43 -23.720 -5.798 -20.184 1.00 72.20 N ATOM 0 H LYS A 43 -19.446 -1.579 -16.150 1.00 71.11 H new ATOM 0 HA LYS A 43 -19.044 -2.251 -18.228 1.00 23.03 H new ATOM 0 HB2 LYS A 43 -21.875 -1.278 -18.425 1.00 35.20 H new ATOM 0 HB3 LYS A 43 -21.031 -1.601 -19.926 1.00 35.20 H new ATOM 0 HG2 LYS A 43 -20.411 -3.885 -18.657 1.00 52.23 H new ATOM 0 HG3 LYS A 43 -21.874 -3.504 -17.770 1.00 52.23 H new ATOM 0 HD2 LYS A 43 -23.167 -3.384 -19.850 1.00 44.12 H new ATOM 0 HD3 LYS A 43 -21.715 -3.590 -20.809 1.00 44.12 H new ATOM 0 HE2 LYS A 43 -21.618 -5.847 -20.440 1.00 60.12 H new ATOM 0 HE3 LYS A 43 -22.142 -5.707 -18.774 1.00 60.12 H new ATOM 0 HZ1 LYS A 43 -23.792 -6.834 -20.120 1.00 72.20 H new ATOM 0 HZ2 LYS A 43 -24.417 -5.363 -19.547 1.00 72.20 H new ATOM 0 HZ3 LYS A 43 -23.909 -5.498 -21.162 1.00 72.20 H new ATOM 709 N GLY A 44 -18.470 -0.601 -20.119 1.00 65.33 N ATOM 710 CA GLY A 44 -17.849 0.413 -20.951 1.00 2.21 C ATOM 711 C GLY A 44 -16.872 -0.174 -21.950 1.00 61.20 C ATOM 712 O GLY A 44 -16.694 0.362 -23.043 1.00 2.13 O ATOM 0 H GLY A 44 -18.356 -1.558 -20.453 1.00 65.33 H new ATOM 0 HA2 GLY A 44 -18.623 0.964 -21.485 1.00 2.21 H new ATOM 0 HA3 GLY A 44 -17.328 1.130 -20.316 1.00 2.21 H new ATOM 716 N ASN A 45 -16.236 -1.279 -21.574 1.00 61.01 N ATOM 717 CA ASN A 45 -15.270 -1.939 -22.445 1.00 4.52 C ATOM 718 C ASN A 45 -14.033 -1.067 -22.643 1.00 61.43 C ATOM 719 O ASN A 45 -13.852 -0.062 -21.957 1.00 35.33 O ATOM 720 CB ASN A 45 -15.906 -2.256 -23.799 1.00 71.34 C ATOM 721 CG ASN A 45 -17.351 -2.699 -23.670 1.00 23.23 C ATOM 722 OD1 ASN A 45 -18.274 -1.920 -23.907 1.00 30.21 O ATOM 723 ND2 ASN A 45 -17.552 -3.956 -23.291 1.00 53.12 N ATOM 0 H ASN A 45 -16.372 -1.736 -20.672 1.00 61.01 H new ATOM 0 HA ASN A 45 -14.965 -2.870 -21.968 1.00 4.52 H new ATOM 0 HB2 ASN A 45 -15.855 -1.374 -24.437 1.00 71.34 H new ATOM 0 HB3 ASN A 45 -15.331 -3.040 -24.293 1.00 71.34 H new ATOM 0 HD21 ASN A 45 -18.502 -4.311 -23.186 1.00 53.12 H new ATOM 0 HD22 ASN A 45 -16.756 -4.566 -23.105 1.00 53.12 H new ATOM 730 N ALA A 46 -13.184 -1.460 -23.588 1.00 34.42 N ATOM 731 CA ALA A 46 -11.966 -0.715 -23.879 1.00 14.51 C ATOM 732 C ALA A 46 -12.269 0.762 -24.111 1.00 30.02 C ATOM 733 O ALA A 46 -11.469 1.631 -23.765 1.00 2.23 O ATOM 734 CB ALA A 46 -11.261 -1.307 -25.090 1.00 32.32 C ATOM 0 H ALA A 46 -13.318 -2.290 -24.165 1.00 34.42 H new ATOM 0 HA ALA A 46 -11.307 -0.793 -23.015 1.00 14.51 H new ATOM 0 HB1 ALA A 46 -10.353 -0.740 -25.295 1.00 32.32 H new ATOM 0 HB2 ALA A 46 -11.002 -2.346 -24.888 1.00 32.32 H new ATOM 0 HB3 ALA A 46 -11.922 -1.259 -25.955 1.00 32.32 H new ATOM 740 N ASP A 47 -13.428 1.038 -24.699 1.00 3.23 N ATOM 741 CA ASP A 47 -13.836 2.410 -24.977 1.00 11.33 C ATOM 742 C ASP A 47 -13.664 3.289 -23.742 1.00 3.31 C ATOM 743 O ASP A 47 -13.246 4.442 -23.843 1.00 44.11 O ATOM 744 CB ASP A 47 -15.292 2.447 -25.445 1.00 23.11 C ATOM 745 CG ASP A 47 -15.413 2.537 -26.953 1.00 44.14 C ATOM 746 OD1 ASP A 47 -15.195 3.638 -27.502 1.00 10.14 O ATOM 747 OD2 ASP A 47 -15.724 1.507 -27.586 1.00 22.41 O ATOM 0 H ASP A 47 -14.101 0.330 -24.992 1.00 3.23 H new ATOM 0 HA ASP A 47 -13.197 2.799 -25.770 1.00 11.33 H new ATOM 0 HB2 ASP A 47 -15.806 1.552 -25.095 1.00 23.11 H new ATOM 0 HB3 ASP A 47 -15.795 3.301 -24.991 1.00 23.11 H new ATOM 752 N GLU A 48 -13.990 2.736 -22.578 1.00 10.52 N ATOM 753 CA GLU A 48 -13.873 3.472 -21.324 1.00 63.21 C ATOM 754 C GLU A 48 -12.460 3.359 -20.757 1.00 75.22 C ATOM 755 O GLU A 48 -11.868 4.352 -20.334 1.00 31.30 O ATOM 756 CB GLU A 48 -14.887 2.950 -20.304 1.00 62.21 C ATOM 757 CG GLU A 48 -16.248 3.619 -20.402 1.00 23.52 C ATOM 758 CD GLU A 48 -16.720 3.773 -21.834 1.00 51.44 C ATOM 759 OE1 GLU A 48 -16.220 4.683 -22.528 1.00 44.24 O ATOM 760 OE2 GLU A 48 -17.590 2.986 -22.261 1.00 62.34 O ATOM 0 H GLU A 48 -14.337 1.782 -22.477 1.00 10.52 H new ATOM 0 HA GLU A 48 -14.082 4.522 -21.528 1.00 63.21 H new ATOM 0 HB2 GLU A 48 -15.009 1.876 -20.442 1.00 62.21 H new ATOM 0 HB3 GLU A 48 -14.490 3.099 -19.300 1.00 62.21 H new ATOM 0 HG2 GLU A 48 -16.978 3.033 -19.844 1.00 23.52 H new ATOM 0 HG3 GLU A 48 -16.201 4.601 -19.931 1.00 23.52 H new ATOM 767 N PHE A 49 -11.927 2.142 -20.752 1.00 31.33 N ATOM 768 CA PHE A 49 -10.585 1.897 -20.236 1.00 13.34 C ATOM 769 C PHE A 49 -9.559 2.770 -20.953 1.00 15.24 C ATOM 770 O PHE A 49 -8.514 3.104 -20.394 1.00 55.52 O ATOM 771 CB PHE A 49 -10.216 0.421 -20.395 1.00 3.14 C ATOM 772 CG PHE A 49 -8.802 0.111 -19.994 1.00 62.42 C ATOM 773 CD1 PHE A 49 -7.767 0.228 -20.908 1.00 73.25 C ATOM 774 CD2 PHE A 49 -8.507 -0.298 -18.703 1.00 51.15 C ATOM 775 CE1 PHE A 49 -6.466 -0.058 -20.543 1.00 25.13 C ATOM 776 CE2 PHE A 49 -7.207 -0.585 -18.332 1.00 11.23 C ATOM 777 CZ PHE A 49 -6.185 -0.464 -19.252 1.00 41.35 C ATOM 0 H PHE A 49 -12.404 1.310 -21.099 1.00 31.33 H new ATOM 0 HA PHE A 49 -10.577 2.154 -19.177 1.00 13.34 H new ATOM 0 HB2 PHE A 49 -10.896 -0.182 -19.794 1.00 3.14 H new ATOM 0 HB3 PHE A 49 -10.363 0.128 -21.434 1.00 3.14 H new ATOM 0 HD1 PHE A 49 -7.980 0.547 -21.918 1.00 73.25 H new ATOM 0 HD2 PHE A 49 -9.302 -0.394 -17.979 1.00 51.15 H new ATOM 0 HE1 PHE A 49 -5.669 0.036 -21.266 1.00 25.13 H new ATOM 0 HE2 PHE A 49 -6.991 -0.904 -17.323 1.00 11.23 H new ATOM 0 HZ PHE A 49 -5.168 -0.686 -18.964 1.00 41.35 H new ATOM 787 N ARG A 50 -9.866 3.135 -22.193 1.00 61.03 N ATOM 788 CA ARG A 50 -8.971 3.967 -22.988 1.00 43.11 C ATOM 789 C ARG A 50 -9.230 5.448 -22.727 1.00 25.14 C ATOM 790 O ARG A 50 -8.385 6.296 -23.012 1.00 54.12 O ATOM 791 CB ARG A 50 -9.145 3.663 -24.477 1.00 51.12 C ATOM 792 CG ARG A 50 -10.420 4.239 -25.071 1.00 34.30 C ATOM 793 CD ARG A 50 -10.119 5.335 -26.081 1.00 73.44 C ATOM 794 NE ARG A 50 -11.059 6.448 -25.978 1.00 22.24 N ATOM 795 CZ ARG A 50 -11.098 7.459 -26.838 1.00 40.01 C ATOM 796 NH1 ARG A 50 -10.255 7.497 -27.861 1.00 31.51 N ATOM 797 NH2 ARG A 50 -11.982 8.435 -26.677 1.00 10.33 N ATOM 0 H ARG A 50 -10.728 2.868 -22.669 1.00 61.03 H new ATOM 0 HA ARG A 50 -7.947 3.737 -22.695 1.00 43.11 H new ATOM 0 HB2 ARG A 50 -8.289 4.059 -25.023 1.00 51.12 H new ATOM 0 HB3 ARG A 50 -9.143 2.583 -24.621 1.00 51.12 H new ATOM 0 HG2 ARG A 50 -10.989 3.444 -25.554 1.00 34.30 H new ATOM 0 HG3 ARG A 50 -11.046 4.640 -24.273 1.00 34.30 H new ATOM 0 HD2 ARG A 50 -9.104 5.702 -25.926 1.00 73.44 H new ATOM 0 HD3 ARG A 50 -10.157 4.920 -27.088 1.00 73.44 H new ATOM 0 HE ARG A 50 -11.722 6.449 -25.203 1.00 22.24 H new ATOM 0 HH11 ARG A 50 -9.574 6.748 -27.989 1.00 31.51 H new ATOM 0 HH12 ARG A 50 -10.287 8.275 -28.520 1.00 31.51 H new ATOM 0 HH21 ARG A 50 -12.633 8.409 -25.892 1.00 10.33 H new ATOM 0 HH22 ARG A 50 -12.011 9.211 -27.338 1.00 10.33 H new ATOM 811 N GLY A 51 -10.404 5.751 -22.182 1.00 1.15 N ATOM 812 CA GLY A 51 -10.753 7.129 -21.891 1.00 53.44 C ATOM 813 C GLY A 51 -11.065 7.352 -20.425 1.00 3.23 C ATOM 814 O GLY A 51 -11.720 8.330 -20.064 1.00 24.52 O ATOM 0 H GLY A 51 -11.120 5.067 -21.937 1.00 1.15 H new ATOM 0 HA2 GLY A 51 -9.930 7.779 -22.187 1.00 53.44 H new ATOM 0 HA3 GLY A 51 -11.617 7.416 -22.491 1.00 53.44 H new ATOM 818 N ALA A 52 -10.596 6.442 -19.577 1.00 43.40 N ATOM 819 CA ALA A 52 -10.828 6.544 -18.142 1.00 4.44 C ATOM 820 C ALA A 52 -9.513 6.687 -17.382 1.00 11.40 C ATOM 821 O ALA A 52 -9.361 7.580 -16.546 1.00 62.54 O ATOM 822 CB ALA A 52 -11.598 5.330 -17.644 1.00 3.32 C ATOM 0 H ALA A 52 -10.053 5.626 -19.860 1.00 43.40 H new ATOM 0 HA ALA A 52 -11.423 7.438 -17.958 1.00 4.44 H new ATOM 0 HB1 ALA A 52 -11.764 5.420 -16.570 1.00 3.32 H new ATOM 0 HB2 ALA A 52 -12.558 5.273 -18.156 1.00 3.32 H new ATOM 0 HB3 ALA A 52 -11.024 4.426 -17.848 1.00 3.32 H new ATOM 828 N LEU A 53 -8.566 5.803 -17.676 1.00 51.52 N ATOM 829 CA LEU A 53 -7.263 5.831 -17.020 1.00 74.21 C ATOM 830 C LEU A 53 -6.648 7.225 -17.090 1.00 64.51 C ATOM 831 O LEU A 53 -6.590 7.852 -18.148 1.00 15.44 O ATOM 832 CB LEU A 53 -6.323 4.812 -17.667 1.00 12.21 C ATOM 833 CG LEU A 53 -5.699 3.782 -16.725 1.00 11.12 C ATOM 834 CD1 LEU A 53 -5.741 2.395 -17.347 1.00 44.34 C ATOM 835 CD2 LEU A 53 -4.269 4.172 -16.381 1.00 21.33 C ATOM 0 H LEU A 53 -8.676 5.058 -18.364 1.00 51.52 H new ATOM 0 HA LEU A 53 -7.405 5.570 -15.971 1.00 74.21 H new ATOM 0 HB2 LEU A 53 -6.875 4.279 -18.441 1.00 12.21 H new ATOM 0 HB3 LEU A 53 -5.519 5.354 -18.164 1.00 12.21 H new ATOM 0 HG LEU A 53 -6.280 3.761 -15.803 1.00 11.12 H new ATOM 0 HD11 LEU A 53 -5.293 1.675 -16.662 1.00 44.34 H new ATOM 0 HD12 LEU A 53 -6.776 2.115 -17.541 1.00 44.34 H new ATOM 0 HD13 LEU A 53 -5.184 2.399 -18.284 1.00 44.34 H new ATOM 0 HD21 LEU A 53 -3.840 3.428 -15.710 1.00 21.33 H new ATOM 0 HD22 LEU A 53 -3.676 4.222 -17.294 1.00 21.33 H new ATOM 0 HD23 LEU A 53 -4.265 5.146 -15.892 1.00 21.33 H new ATOM 847 N PRO A 54 -6.173 7.721 -15.938 1.00 32.43 N ATOM 848 CA PRO A 54 -5.550 9.044 -15.843 1.00 12.23 C ATOM 849 C PRO A 54 -4.194 9.098 -16.538 1.00 20.23 C ATOM 850 O PRO A 54 -3.522 8.078 -16.688 1.00 32.32 O ATOM 851 CB PRO A 54 -5.387 9.252 -14.335 1.00 21.11 C ATOM 852 CG PRO A 54 -5.323 7.876 -13.768 1.00 34.23 C ATOM 853 CD PRO A 54 -6.208 7.027 -14.639 1.00 1.50 C ATOM 0 HA PRO A 54 -6.150 9.813 -16.331 1.00 12.23 H new ATOM 0 HB2 PRO A 54 -4.482 9.816 -14.109 1.00 21.11 H new ATOM 0 HB3 PRO A 54 -6.224 9.813 -13.920 1.00 21.11 H new ATOM 0 HG2 PRO A 54 -4.300 7.501 -13.769 1.00 34.23 H new ATOM 0 HG3 PRO A 54 -5.666 7.864 -12.734 1.00 34.23 H new ATOM 0 HD2 PRO A 54 -5.834 6.006 -14.718 1.00 1.50 H new ATOM 0 HD3 PRO A 54 -7.222 6.965 -14.243 1.00 1.50 H new ATOM 861 N ALA A 55 -3.797 10.294 -16.960 1.00 13.05 N ATOM 862 CA ALA A 55 -2.520 10.480 -17.636 1.00 41.44 C ATOM 863 C ALA A 55 -1.380 10.607 -16.632 1.00 3.41 C ATOM 864 O ALA A 55 -0.226 10.320 -16.949 1.00 12.34 O ATOM 865 CB ALA A 55 -2.573 11.707 -18.535 1.00 70.24 C ATOM 0 H ALA A 55 -4.342 11.149 -16.845 1.00 13.05 H new ATOM 0 HA ALA A 55 -2.331 9.600 -18.251 1.00 41.44 H new ATOM 0 HB1 ALA A 55 -1.612 11.834 -19.034 1.00 70.24 H new ATOM 0 HB2 ALA A 55 -3.356 11.577 -19.282 1.00 70.24 H new ATOM 0 HB3 ALA A 55 -2.789 12.590 -17.933 1.00 70.24 H new ATOM 871 N ASN A 56 -1.711 11.040 -15.420 1.00 3.34 N ATOM 872 CA ASN A 56 -0.713 11.207 -14.369 1.00 33.43 C ATOM 873 C ASN A 56 -0.979 10.249 -13.211 1.00 4.54 C ATOM 874 O ASN A 56 -0.812 10.608 -12.045 1.00 5.13 O ATOM 875 CB ASN A 56 -0.712 12.650 -13.862 1.00 0.21 C ATOM 876 CG ASN A 56 -2.102 13.138 -13.503 1.00 11.14 C ATOM 877 OD1 ASN A 56 -2.582 12.917 -12.391 1.00 23.45 O ATOM 878 ND2 ASN A 56 -2.757 13.806 -14.445 1.00 44.14 N ATOM 0 H ASN A 56 -2.662 11.282 -15.141 1.00 3.34 H new ATOM 0 HA ASN A 56 0.265 10.977 -14.791 1.00 33.43 H new ATOM 0 HB2 ASN A 56 -0.067 12.724 -12.987 1.00 0.21 H new ATOM 0 HB3 ASN A 56 -0.288 13.301 -14.627 1.00 0.21 H new ATOM 0 HD21 ASN A 56 -3.696 14.159 -14.261 1.00 44.14 H new ATOM 0 HD22 ASN A 56 -2.321 13.967 -15.353 1.00 44.14 H new ATOM 885 N ASP A 57 -1.392 9.031 -13.540 1.00 60.14 N ATOM 886 CA ASP A 57 -1.679 8.021 -12.528 1.00 61.24 C ATOM 887 C ASP A 57 -1.884 6.652 -13.170 1.00 13.03 C ATOM 888 O ASP A 57 -1.886 6.524 -14.395 1.00 32.54 O ATOM 889 CB ASP A 57 -2.919 8.412 -11.724 1.00 14.21 C ATOM 890 CG ASP A 57 -2.589 8.773 -10.289 1.00 1.00 C ATOM 891 OD1 ASP A 57 -1.866 7.994 -9.632 1.00 74.02 O ATOM 892 OD2 ASP A 57 -3.052 9.835 -9.823 1.00 22.10 O ATOM 0 H ASP A 57 -1.536 8.718 -14.500 1.00 60.14 H new ATOM 0 HA ASP A 57 -0.823 7.963 -11.855 1.00 61.24 H new ATOM 0 HB2 ASP A 57 -3.408 9.259 -12.205 1.00 14.21 H new ATOM 0 HB3 ASP A 57 -3.630 7.586 -11.733 1.00 14.21 H new ATOM 897 N CYS A 58 -2.056 5.633 -12.335 1.00 5.11 N ATOM 898 CA CYS A 58 -2.260 4.273 -12.820 1.00 62.15 C ATOM 899 C CYS A 58 -3.561 3.691 -12.277 1.00 41.32 C ATOM 900 O CYS A 58 -4.052 4.114 -11.230 1.00 50.04 O ATOM 901 CB CYS A 58 -1.082 3.383 -12.418 1.00 54.54 C ATOM 902 SG CYS A 58 -1.415 2.317 -10.997 1.00 22.13 S ATOM 0 H CYS A 58 -2.058 5.723 -11.319 1.00 5.11 H new ATOM 0 HA CYS A 58 -2.325 4.308 -13.908 1.00 62.15 H new ATOM 0 HB2 CYS A 58 -0.804 2.761 -13.268 1.00 54.54 H new ATOM 0 HB3 CYS A 58 -0.223 4.015 -12.191 1.00 54.54 H new ATOM 0 HG CYS A 58 -0.569 1.330 -10.988 1.00 22.13 H new ATOM 908 N ARG A 59 -4.115 2.721 -12.997 1.00 30.14 N ATOM 909 CA ARG A 59 -5.361 2.083 -12.588 1.00 40.43 C ATOM 910 C ARG A 59 -5.555 0.755 -13.314 1.00 12.03 C ATOM 911 O ARG A 59 -5.250 0.633 -14.500 1.00 54.33 O ATOM 912 CB ARG A 59 -6.547 3.008 -12.868 1.00 73.32 C ATOM 913 CG ARG A 59 -7.096 3.688 -11.625 1.00 31.13 C ATOM 914 CD ARG A 59 -7.331 5.172 -11.859 1.00 73.12 C ATOM 915 NE ARG A 59 -6.299 5.995 -11.235 1.00 41.03 N ATOM 916 CZ ARG A 59 -6.369 6.439 -9.985 1.00 40.44 C ATOM 917 NH1 ARG A 59 -7.417 6.141 -9.230 1.00 21.10 N ATOM 918 NH2 ARG A 59 -5.389 7.184 -9.489 1.00 31.44 N ATOM 0 H ARG A 59 -3.721 2.360 -13.866 1.00 30.14 H new ATOM 0 HA ARG A 59 -5.306 1.887 -11.517 1.00 40.43 H new ATOM 0 HB2 ARG A 59 -6.241 3.771 -13.584 1.00 73.32 H new ATOM 0 HB3 ARG A 59 -7.344 2.431 -13.338 1.00 73.32 H new ATOM 0 HG2 ARG A 59 -8.032 3.212 -11.332 1.00 31.13 H new ATOM 0 HG3 ARG A 59 -6.398 3.555 -10.798 1.00 31.13 H new ATOM 0 HD2 ARG A 59 -7.354 5.371 -12.930 1.00 73.12 H new ATOM 0 HD3 ARG A 59 -8.307 5.451 -11.462 1.00 73.12 H new ATOM 0 HE ARG A 59 -5.479 6.243 -11.789 1.00 41.03 H new ATOM 0 HH11 ARG A 59 -8.172 5.569 -9.609 1.00 21.10 H new ATOM 0 HH12 ARG A 59 -7.468 6.483 -8.270 1.00 21.10 H new ATOM 0 HH21 ARG A 59 -4.582 7.416 -10.068 1.00 31.44 H new ATOM 0 HH22 ARG A 59 -5.443 7.525 -8.529 1.00 31.44 H new ATOM 932 N PHE A 60 -6.064 -0.238 -12.592 1.00 62.43 N ATOM 933 CA PHE A 60 -6.297 -1.558 -13.166 1.00 73.43 C ATOM 934 C PHE A 60 -7.791 -1.821 -13.336 1.00 62.20 C ATOM 935 O PHE A 60 -8.600 -1.435 -12.494 1.00 1.22 O ATOM 936 CB PHE A 60 -5.675 -2.640 -12.281 1.00 60.21 C ATOM 937 CG PHE A 60 -4.673 -2.107 -11.297 1.00 54.31 C ATOM 938 CD1 PHE A 60 -5.083 -1.619 -10.067 1.00 14.22 C ATOM 939 CD2 PHE A 60 -3.322 -2.094 -11.602 1.00 40.53 C ATOM 940 CE1 PHE A 60 -4.164 -1.127 -9.160 1.00 2.30 C ATOM 941 CE2 PHE A 60 -2.398 -1.603 -10.699 1.00 44.02 C ATOM 942 CZ PHE A 60 -2.819 -1.120 -9.476 1.00 52.10 C ATOM 0 H PHE A 60 -6.323 -0.154 -11.609 1.00 62.43 H new ATOM 0 HA PHE A 60 -5.826 -1.587 -14.149 1.00 73.43 H new ATOM 0 HB2 PHE A 60 -6.468 -3.154 -11.738 1.00 60.21 H new ATOM 0 HB3 PHE A 60 -5.190 -3.382 -12.915 1.00 60.21 H new ATOM 0 HD1 PHE A 60 -6.133 -1.623 -9.814 1.00 14.22 H new ATOM 0 HD2 PHE A 60 -2.987 -2.472 -12.557 1.00 40.53 H new ATOM 0 HE1 PHE A 60 -4.497 -0.748 -8.205 1.00 2.30 H new ATOM 0 HE2 PHE A 60 -1.348 -1.597 -10.950 1.00 44.02 H new ATOM 0 HZ PHE A 60 -2.099 -0.738 -8.768 1.00 52.10 H new ATOM 952 N GLY A 61 -8.149 -2.482 -14.433 1.00 44.53 N ATOM 953 CA GLY A 61 -9.544 -2.784 -14.695 1.00 65.41 C ATOM 954 C GLY A 61 -9.822 -4.274 -14.699 1.00 74.41 C ATOM 955 O GLY A 61 -8.906 -5.085 -14.835 1.00 44.33 O ATOM 0 H GLY A 61 -7.498 -2.814 -15.145 1.00 44.53 H new ATOM 0 HA2 GLY A 61 -10.165 -2.303 -13.939 1.00 65.41 H new ATOM 0 HA3 GLY A 61 -9.830 -2.361 -15.658 1.00 65.41 H new ATOM 959 N VAL A 62 -11.092 -4.638 -14.548 1.00 11.32 N ATOM 960 CA VAL A 62 -11.489 -6.040 -14.534 1.00 34.41 C ATOM 961 C VAL A 62 -12.598 -6.308 -15.546 1.00 12.45 C ATOM 962 O VAL A 62 -13.632 -5.639 -15.541 1.00 1.45 O ATOM 963 CB VAL A 62 -11.970 -6.474 -13.136 1.00 45.00 C ATOM 964 CG1 VAL A 62 -11.503 -7.888 -12.826 1.00 32.20 C ATOM 965 CG2 VAL A 62 -11.478 -5.498 -12.078 1.00 12.31 C ATOM 0 H VAL A 62 -11.863 -3.980 -14.434 1.00 11.32 H new ATOM 0 HA VAL A 62 -10.607 -6.621 -14.803 1.00 34.41 H new ATOM 0 HB VAL A 62 -13.060 -6.467 -13.127 1.00 45.00 H new ATOM 0 HG11 VAL A 62 -11.852 -8.177 -11.835 1.00 32.20 H new ATOM 0 HG12 VAL A 62 -11.908 -8.576 -13.568 1.00 32.20 H new ATOM 0 HG13 VAL A 62 -10.414 -7.926 -12.852 1.00 32.20 H new ATOM 0 HG21 VAL A 62 -11.827 -5.819 -11.096 1.00 12.31 H new ATOM 0 HG22 VAL A 62 -10.388 -5.472 -12.086 1.00 12.31 H new ATOM 0 HG23 VAL A 62 -11.866 -4.502 -12.293 1.00 12.31 H new ATOM 975 N TYR A 63 -12.377 -7.290 -16.412 1.00 3.30 N ATOM 976 CA TYR A 63 -13.356 -7.645 -17.432 1.00 15.33 C ATOM 977 C TYR A 63 -13.402 -9.155 -17.641 1.00 70.30 C ATOM 978 O TYR A 63 -12.413 -9.767 -18.044 1.00 70.55 O ATOM 979 CB TYR A 63 -13.026 -6.946 -18.751 1.00 53.55 C ATOM 980 CG TYR A 63 -11.912 -5.930 -18.637 1.00 21.25 C ATOM 981 CD1 TYR A 63 -12.152 -4.661 -18.124 1.00 52.04 C ATOM 982 CD2 TYR A 63 -10.619 -6.239 -19.041 1.00 31.33 C ATOM 983 CE1 TYR A 63 -11.137 -3.730 -18.018 1.00 54.41 C ATOM 984 CE2 TYR A 63 -9.598 -5.315 -18.937 1.00 1.13 C ATOM 985 CZ TYR A 63 -9.862 -4.062 -18.425 1.00 40.50 C ATOM 986 OH TYR A 63 -8.848 -3.137 -18.321 1.00 63.41 O ATOM 0 H TYR A 63 -11.528 -7.855 -16.428 1.00 3.30 H new ATOM 0 HA TYR A 63 -14.336 -7.314 -17.089 1.00 15.33 H new ATOM 0 HB2 TYR A 63 -12.747 -7.697 -19.490 1.00 53.55 H new ATOM 0 HB3 TYR A 63 -13.922 -6.450 -19.123 1.00 53.55 H new ATOM 0 HD1 TYR A 63 -13.149 -4.398 -17.803 1.00 52.04 H new ATOM 0 HD2 TYR A 63 -10.409 -7.219 -19.443 1.00 31.33 H new ATOM 0 HE1 TYR A 63 -11.341 -2.748 -17.619 1.00 54.41 H new ATOM 0 HE2 TYR A 63 -8.598 -5.572 -19.255 1.00 1.13 H new ATOM 0 HH TYR A 63 -9.119 -2.304 -18.761 1.00 63.41 H new ATOM 996 N ASP A 64 -14.557 -9.749 -17.364 1.00 74.53 N ATOM 997 CA ASP A 64 -14.735 -11.188 -17.523 1.00 64.23 C ATOM 998 C ASP A 64 -14.514 -11.606 -18.974 1.00 13.11 C ATOM 999 O ASP A 64 -15.387 -11.420 -19.823 1.00 43.41 O ATOM 1000 CB ASP A 64 -16.134 -11.605 -17.066 1.00 45.14 C ATOM 1001 CG ASP A 64 -16.562 -12.936 -17.653 1.00 42.52 C ATOM 1002 OD1 ASP A 64 -16.154 -13.983 -17.109 1.00 64.23 O ATOM 1003 OD2 ASP A 64 -17.306 -12.929 -18.656 1.00 20.32 O ATOM 0 H ASP A 64 -15.385 -9.256 -17.028 1.00 74.53 H new ATOM 0 HA ASP A 64 -13.994 -11.691 -16.902 1.00 64.23 H new ATOM 0 HB2 ASP A 64 -16.154 -11.668 -15.978 1.00 45.14 H new ATOM 0 HB3 ASP A 64 -16.851 -10.837 -17.354 1.00 45.14 H new ATOM 1008 N CYS A 65 -13.344 -12.170 -19.250 1.00 41.34 N ATOM 1009 CA CYS A 65 -13.008 -12.612 -20.599 1.00 61.12 C ATOM 1010 C CYS A 65 -13.649 -13.962 -20.904 1.00 53.22 C ATOM 1011 O CYS A 65 -13.505 -14.495 -22.004 1.00 14.24 O ATOM 1012 CB CYS A 65 -11.490 -12.706 -20.764 1.00 54.24 C ATOM 1013 SG CYS A 65 -10.909 -12.374 -22.444 1.00 2.21 S ATOM 0 H CYS A 65 -12.612 -12.332 -18.558 1.00 41.34 H new ATOM 0 HA CYS A 65 -13.398 -11.877 -21.303 1.00 61.12 H new ATOM 0 HB2 CYS A 65 -11.017 -12.001 -20.081 1.00 54.24 H new ATOM 0 HB3 CYS A 65 -11.164 -13.703 -20.469 1.00 54.24 H new ATOM 0 HG CYS A 65 -9.614 -12.475 -22.483 1.00 2.21 H new ATOM 1019 N GLY A 66 -14.357 -14.511 -19.921 1.00 50.34 N ATOM 1020 CA GLY A 66 -15.008 -15.795 -20.104 1.00 13.32 C ATOM 1021 C GLY A 66 -14.147 -16.953 -19.640 1.00 51.30 C ATOM 1022 O GLY A 66 -14.651 -17.920 -19.071 1.00 24.12 O ATOM 0 H GLY A 66 -14.491 -14.089 -19.002 1.00 50.34 H new ATOM 0 HA2 GLY A 66 -15.949 -15.803 -19.554 1.00 13.32 H new ATOM 0 HA3 GLY A 66 -15.253 -15.928 -21.158 1.00 13.32 H new ATOM 1026 N ASN A 67 -12.845 -16.855 -19.886 1.00 4.15 N ATOM 1027 CA ASN A 67 -11.912 -17.904 -19.491 1.00 24.11 C ATOM 1028 C ASN A 67 -10.940 -17.397 -18.429 1.00 73.12 C ATOM 1029 O ASN A 67 -10.397 -18.176 -17.646 1.00 64.31 O ATOM 1030 CB ASN A 67 -11.135 -18.410 -20.709 1.00 13.44 C ATOM 1031 CG ASN A 67 -11.606 -19.776 -21.168 1.00 53.11 C ATOM 1032 OD1 ASN A 67 -12.634 -19.899 -21.834 1.00 52.24 O ATOM 1033 ND2 ASN A 67 -10.854 -20.811 -20.813 1.00 33.13 N ATOM 0 H ASN A 67 -12.412 -16.060 -20.357 1.00 4.15 H new ATOM 0 HA ASN A 67 -12.488 -18.727 -19.068 1.00 24.11 H new ATOM 0 HB2 ASN A 67 -11.243 -17.698 -21.527 1.00 13.44 H new ATOM 0 HB3 ASN A 67 -10.074 -18.457 -20.465 1.00 13.44 H new ATOM 0 HD21 ASN A 67 -11.121 -21.755 -21.093 1.00 33.13 H new ATOM 0 HD22 ASN A 67 -10.010 -20.662 -20.260 1.00 33.13 H new ATOM 1040 N LYS A 68 -10.727 -16.086 -18.408 1.00 42.13 N ATOM 1041 CA LYS A 68 -9.823 -15.473 -17.442 1.00 50.44 C ATOM 1042 C LYS A 68 -10.087 -13.975 -17.325 1.00 11.20 C ATOM 1043 O LYS A 68 -10.946 -13.430 -18.019 1.00 71.53 O ATOM 1044 CB LYS A 68 -8.368 -15.714 -17.850 1.00 22.22 C ATOM 1045 CG LYS A 68 -7.978 -15.029 -19.148 1.00 61.32 C ATOM 1046 CD LYS A 68 -8.228 -15.926 -20.349 1.00 20.42 C ATOM 1047 CE LYS A 68 -9.329 -15.372 -21.239 1.00 53.33 C ATOM 1048 NZ LYS A 68 -9.170 -15.806 -22.655 1.00 21.43 N ATOM 0 H LYS A 68 -11.168 -15.427 -19.049 1.00 42.13 H new ATOM 0 HA LYS A 68 -10.003 -15.933 -16.471 1.00 50.44 H new ATOM 0 HB2 LYS A 68 -7.713 -15.363 -17.053 1.00 22.22 H new ATOM 0 HB3 LYS A 68 -8.201 -16.786 -17.951 1.00 22.22 H new ATOM 0 HG2 LYS A 68 -8.546 -14.105 -19.258 1.00 61.32 H new ATOM 0 HG3 LYS A 68 -6.924 -14.753 -19.112 1.00 61.32 H new ATOM 0 HD2 LYS A 68 -7.309 -16.028 -20.926 1.00 20.42 H new ATOM 0 HD3 LYS A 68 -8.502 -16.924 -20.008 1.00 20.42 H new ATOM 0 HE2 LYS A 68 -10.298 -15.702 -20.865 1.00 53.33 H new ATOM 0 HE3 LYS A 68 -9.322 -14.283 -21.190 1.00 53.33 H new ATOM 0 HZ1 LYS A 68 -9.940 -15.407 -23.229 1.00 21.43 H new ATOM 0 HZ2 LYS A 68 -8.256 -15.470 -23.021 1.00 21.43 H new ATOM 0 HZ3 LYS A 68 -9.202 -16.844 -22.706 1.00 21.43 H new ATOM 1062 N ILE A 69 -9.343 -13.315 -16.444 1.00 41.21 N ATOM 1063 CA ILE A 69 -9.496 -11.880 -16.239 1.00 4.22 C ATOM 1064 C ILE A 69 -8.246 -11.125 -16.679 1.00 24.41 C ATOM 1065 O ILE A 69 -7.297 -10.975 -15.910 1.00 21.44 O ATOM 1066 CB ILE A 69 -9.788 -11.550 -14.763 1.00 25.20 C ATOM 1067 CG1 ILE A 69 -10.964 -12.386 -14.254 1.00 50.32 C ATOM 1068 CG2 ILE A 69 -10.075 -10.065 -14.599 1.00 31.32 C ATOM 1069 CD1 ILE A 69 -12.148 -12.398 -15.195 1.00 51.04 C ATOM 0 H ILE A 69 -8.629 -13.751 -15.861 1.00 41.21 H new ATOM 0 HA ILE A 69 -10.342 -11.563 -16.848 1.00 4.22 H new ATOM 0 HB ILE A 69 -8.908 -11.797 -14.169 1.00 25.20 H new ATOM 0 HG12 ILE A 69 -10.628 -13.410 -14.092 1.00 50.32 H new ATOM 0 HG13 ILE A 69 -11.283 -11.999 -13.286 1.00 50.32 H new ATOM 0 HG21 ILE A 69 -10.279 -9.848 -13.551 1.00 31.32 H new ATOM 0 HG22 ILE A 69 -9.210 -9.489 -14.927 1.00 31.32 H new ATOM 0 HG23 ILE A 69 -10.942 -9.793 -15.202 1.00 31.32 H new ATOM 0 HD11 ILE A 69 -12.944 -13.010 -14.770 1.00 51.04 H new ATOM 0 HD12 ILE A 69 -12.510 -11.380 -15.338 1.00 51.04 H new ATOM 0 HD13 ILE A 69 -11.845 -12.813 -16.156 1.00 51.04 H new ATOM 1081 N GLN A 70 -8.254 -10.652 -17.921 1.00 4.54 N ATOM 1082 CA GLN A 70 -7.120 -9.911 -18.463 1.00 33.25 C ATOM 1083 C GLN A 70 -7.163 -8.452 -18.022 1.00 43.31 C ATOM 1084 O GLN A 70 -7.934 -7.654 -18.555 1.00 15.11 O ATOM 1085 CB GLN A 70 -7.112 -9.995 -19.990 1.00 33.42 C ATOM 1086 CG GLN A 70 -5.761 -9.677 -20.610 1.00 32.23 C ATOM 1087 CD GLN A 70 -5.838 -8.564 -21.636 1.00 63.33 C ATOM 1088 OE1 GLN A 70 -5.724 -7.385 -21.300 1.00 63.23 O ATOM 1089 NE2 GLN A 70 -6.031 -8.934 -22.897 1.00 14.21 N ATOM 0 H GLN A 70 -9.032 -10.768 -18.571 1.00 4.54 H new ATOM 0 HA GLN A 70 -6.206 -10.361 -18.077 1.00 33.25 H new ATOM 0 HB2 GLN A 70 -7.414 -10.998 -20.292 1.00 33.42 H new ATOM 0 HB3 GLN A 70 -7.856 -9.305 -20.387 1.00 33.42 H new ATOM 0 HG2 GLN A 70 -5.062 -9.393 -19.823 1.00 32.23 H new ATOM 0 HG3 GLN A 70 -5.362 -10.575 -21.082 1.00 32.23 H new ATOM 0 HE21 GLN A 70 -6.120 -9.923 -23.130 1.00 14.21 H new ATOM 0 HE22 GLN A 70 -6.090 -8.229 -23.632 1.00 14.21 H new ATOM 1098 N PHE A 71 -6.329 -8.109 -17.046 1.00 2.11 N ATOM 1099 CA PHE A 71 -6.272 -6.745 -16.533 1.00 20.14 C ATOM 1100 C PHE A 71 -4.923 -6.103 -16.842 1.00 24.32 C ATOM 1101 O PHE A 71 -3.870 -6.670 -16.546 1.00 75.11 O ATOM 1102 CB PHE A 71 -6.520 -6.735 -15.023 1.00 32.12 C ATOM 1103 CG PHE A 71 -5.347 -7.218 -14.219 1.00 62.22 C ATOM 1104 CD1 PHE A 71 -4.982 -8.555 -14.235 1.00 55.21 C ATOM 1105 CD2 PHE A 71 -4.608 -6.335 -13.447 1.00 74.54 C ATOM 1106 CE1 PHE A 71 -3.903 -9.003 -13.497 1.00 41.41 C ATOM 1107 CE2 PHE A 71 -3.528 -6.777 -12.708 1.00 22.42 C ATOM 1108 CZ PHE A 71 -3.175 -8.113 -12.732 1.00 14.34 C ATOM 0 H PHE A 71 -5.683 -8.757 -16.594 1.00 2.11 H new ATOM 0 HA PHE A 71 -7.052 -6.165 -17.027 1.00 20.14 H new ATOM 0 HB2 PHE A 71 -6.771 -5.721 -14.711 1.00 32.12 H new ATOM 0 HB3 PHE A 71 -7.385 -7.360 -14.801 1.00 32.12 H new ATOM 0 HD1 PHE A 71 -5.548 -9.255 -14.832 1.00 55.21 H new ATOM 0 HD2 PHE A 71 -4.880 -5.290 -13.423 1.00 74.54 H new ATOM 0 HE1 PHE A 71 -3.629 -10.048 -13.518 1.00 41.41 H new ATOM 0 HE2 PHE A 71 -2.960 -6.079 -12.112 1.00 22.42 H new ATOM 0 HZ PHE A 71 -2.332 -8.460 -12.154 1.00 14.34 H new ATOM 1118 N VAL A 72 -4.962 -4.917 -17.440 1.00 5.32 N ATOM 1119 CA VAL A 72 -3.743 -4.196 -17.789 1.00 60.53 C ATOM 1120 C VAL A 72 -3.763 -2.779 -17.230 1.00 10.54 C ATOM 1121 O VAL A 72 -4.827 -2.181 -17.059 1.00 61.35 O ATOM 1122 CB VAL A 72 -3.548 -4.131 -19.316 1.00 23.43 C ATOM 1123 CG1 VAL A 72 -3.909 -5.462 -19.958 1.00 21.34 C ATOM 1124 CG2 VAL A 72 -4.374 -3.001 -19.911 1.00 34.55 C ATOM 0 H VAL A 72 -5.824 -4.435 -17.693 1.00 5.32 H new ATOM 0 HA VAL A 72 -2.912 -4.746 -17.346 1.00 60.53 H new ATOM 0 HB VAL A 72 -2.497 -3.929 -19.522 1.00 23.43 H new ATOM 0 HG11 VAL A 72 -3.765 -5.397 -21.036 1.00 21.34 H new ATOM 0 HG12 VAL A 72 -3.270 -6.246 -19.553 1.00 21.34 H new ATOM 0 HG13 VAL A 72 -4.952 -5.698 -19.745 1.00 21.34 H new ATOM 0 HG21 VAL A 72 -4.224 -2.970 -20.990 1.00 34.55 H new ATOM 0 HG22 VAL A 72 -5.429 -3.169 -19.696 1.00 34.55 H new ATOM 0 HG23 VAL A 72 -4.062 -2.053 -19.474 1.00 34.55 H new ATOM 1134 N LEU A 73 -2.581 -2.244 -16.945 1.00 64.03 N ATOM 1135 CA LEU A 73 -2.461 -0.894 -16.405 1.00 32.33 C ATOM 1136 C LEU A 73 -1.414 -0.092 -17.170 1.00 42.11 C ATOM 1137 O LEU A 73 -0.439 -0.648 -17.675 1.00 63.21 O ATOM 1138 CB LEU A 73 -2.094 -0.949 -14.921 1.00 13.33 C ATOM 1139 CG LEU A 73 -1.125 -2.057 -14.509 1.00 62.21 C ATOM 1140 CD1 LEU A 73 -1.798 -3.418 -14.604 1.00 0.51 C ATOM 1141 CD2 LEU A 73 0.127 -2.018 -15.373 1.00 24.30 C ATOM 0 H LEU A 73 -1.691 -2.725 -17.079 1.00 64.03 H new ATOM 0 HA LEU A 73 -3.425 -0.397 -16.517 1.00 32.33 H new ATOM 0 HB2 LEU A 73 -1.659 0.010 -14.639 1.00 13.33 H new ATOM 0 HB3 LEU A 73 -3.012 -1.064 -14.345 1.00 13.33 H new ATOM 0 HG LEU A 73 -0.833 -1.891 -13.472 1.00 62.21 H new ATOM 0 HD11 LEU A 73 -1.093 -4.194 -14.307 1.00 0.51 H new ATOM 0 HD12 LEU A 73 -2.664 -3.442 -13.943 1.00 0.51 H new ATOM 0 HD13 LEU A 73 -2.120 -3.594 -15.630 1.00 0.51 H new ATOM 0 HD21 LEU A 73 0.806 -2.814 -15.066 1.00 24.30 H new ATOM 0 HD22 LEU A 73 -0.148 -2.159 -16.418 1.00 24.30 H new ATOM 0 HD23 LEU A 73 0.621 -1.054 -15.254 1.00 24.30 H new ATOM 1153 N TRP A 74 -1.621 1.217 -17.250 1.00 14.33 N ATOM 1154 CA TRP A 74 -0.693 2.097 -17.952 1.00 35.23 C ATOM 1155 C TRP A 74 0.186 2.859 -16.966 1.00 72.52 C ATOM 1156 O TRP A 74 -0.261 3.815 -16.332 1.00 74.00 O ATOM 1157 CB TRP A 74 -1.461 3.081 -18.836 1.00 12.25 C ATOM 1158 CG TRP A 74 -0.583 4.112 -19.479 1.00 32.35 C ATOM 1159 CD1 TRP A 74 0.149 3.966 -20.622 1.00 54.44 C ATOM 1160 CD2 TRP A 74 -0.344 5.444 -19.013 1.00 41.43 C ATOM 1161 NE1 TRP A 74 0.829 5.129 -20.896 1.00 75.33 N ATOM 1162 CE2 TRP A 74 0.543 6.051 -19.925 1.00 34.13 C ATOM 1163 CE3 TRP A 74 -0.794 6.185 -17.917 1.00 5.11 C ATOM 1164 CZ2 TRP A 74 0.987 7.361 -19.770 1.00 51.34 C ATOM 1165 CZ3 TRP A 74 -0.351 7.485 -17.765 1.00 53.41 C ATOM 1166 CH2 TRP A 74 0.531 8.063 -18.688 1.00 12.21 C ATOM 0 H TRP A 74 -2.423 1.693 -16.838 1.00 14.33 H new ATOM 0 HA TRP A 74 -0.051 1.480 -18.580 1.00 35.23 H new ATOM 0 HB2 TRP A 74 -1.987 2.526 -19.613 1.00 12.25 H new ATOM 0 HB3 TRP A 74 -2.219 3.583 -18.235 1.00 12.25 H new ATOM 0 HD1 TRP A 74 0.188 3.069 -21.222 1.00 54.44 H new ATOM 0 HE1 TRP A 74 1.447 5.280 -21.694 1.00 75.33 H new ATOM 0 HE3 TRP A 74 -1.476 5.749 -17.202 1.00 5.11 H new ATOM 0 HZ2 TRP A 74 1.668 7.808 -20.479 1.00 51.34 H new ATOM 0 HZ3 TRP A 74 -0.690 8.066 -16.920 1.00 53.41 H new ATOM 0 HH2 TRP A 74 0.857 9.082 -18.542 1.00 12.21 H new ATOM 1177 N CYS A 75 1.437 2.430 -16.842 1.00 72.53 N ATOM 1178 CA CYS A 75 2.379 3.072 -15.933 1.00 31.25 C ATOM 1179 C CYS A 75 2.443 4.574 -16.188 1.00 12.23 C ATOM 1180 O CYS A 75 2.759 5.029 -17.287 1.00 52.13 O ATOM 1181 CB CYS A 75 3.770 2.456 -16.088 1.00 2.23 C ATOM 1182 SG CYS A 75 4.372 1.610 -14.608 1.00 22.13 S ATOM 0 H CYS A 75 1.822 1.640 -17.360 1.00 72.53 H new ATOM 0 HA CYS A 75 2.030 2.910 -14.913 1.00 31.25 H new ATOM 0 HB2 CYS A 75 3.752 1.748 -16.916 1.00 2.23 H new ATOM 0 HB3 CYS A 75 4.476 3.242 -16.357 1.00 2.23 H new ATOM 0 HG CYS A 75 5.554 1.121 -14.838 1.00 22.13 H new ATOM 1188 N PRO A 76 2.134 5.365 -15.149 1.00 24.31 N ATOM 1189 CA PRO A 76 2.148 6.828 -15.236 1.00 64.12 C ATOM 1190 C PRO A 76 3.561 7.387 -15.368 1.00 52.34 C ATOM 1191 O PRO A 76 4.469 6.983 -14.642 1.00 41.31 O ATOM 1192 CB PRO A 76 1.521 7.268 -13.911 1.00 53.33 C ATOM 1193 CG PRO A 76 1.785 6.141 -12.974 1.00 34.21 C ATOM 1194 CD PRO A 76 1.749 4.891 -13.809 1.00 73.11 C ATOM 0 HA PRO A 76 1.616 7.189 -16.116 1.00 64.12 H new ATOM 0 HB2 PRO A 76 1.967 8.195 -13.551 1.00 53.33 H new ATOM 0 HB3 PRO A 76 0.452 7.450 -14.020 1.00 53.33 H new ATOM 0 HG2 PRO A 76 2.753 6.257 -12.487 1.00 34.21 H new ATOM 0 HG3 PRO A 76 1.034 6.105 -12.185 1.00 34.21 H new ATOM 0 HD2 PRO A 76 2.442 4.138 -13.435 1.00 73.11 H new ATOM 0 HD3 PRO A 76 0.757 4.438 -13.812 1.00 73.11 H new ATOM 1202 N ASP A 77 3.738 8.318 -16.299 1.00 5.50 N ATOM 1203 CA ASP A 77 5.041 8.935 -16.525 1.00 73.42 C ATOM 1204 C ASP A 77 5.238 10.139 -15.610 1.00 40.45 C ATOM 1205 O ASP A 77 6.259 10.822 -15.679 1.00 0.31 O ATOM 1206 CB ASP A 77 5.180 9.361 -17.988 1.00 21.45 C ATOM 1207 CG ASP A 77 5.671 8.233 -18.875 1.00 14.33 C ATOM 1208 OD1 ASP A 77 5.376 7.061 -18.561 1.00 53.25 O ATOM 1209 OD2 ASP A 77 6.350 8.523 -19.882 1.00 2.22 O ATOM 0 H ASP A 77 2.997 8.662 -16.909 1.00 5.50 H new ATOM 0 HA ASP A 77 5.810 8.198 -16.295 1.00 73.42 H new ATOM 0 HB2 ASP A 77 4.216 9.714 -18.354 1.00 21.45 H new ATOM 0 HB3 ASP A 77 5.873 10.200 -18.055 1.00 21.45 H new ATOM 1214 N ASN A 78 4.253 10.395 -14.756 1.00 31.45 N ATOM 1215 CA ASN A 78 4.318 11.518 -13.828 1.00 54.21 C ATOM 1216 C ASN A 78 4.993 11.108 -12.523 1.00 14.02 C ATOM 1217 O ASN A 78 5.639 11.922 -11.864 1.00 63.11 O ATOM 1218 CB ASN A 78 2.913 12.053 -13.543 1.00 34.41 C ATOM 1219 CG ASN A 78 2.922 13.207 -12.559 1.00 34.51 C ATOM 1220 OD1 ASN A 78 2.166 13.214 -11.587 1.00 52.12 O ATOM 1221 ND2 ASN A 78 3.780 14.189 -12.807 1.00 53.15 N ATOM 0 H ASN A 78 3.400 9.840 -14.687 1.00 31.45 H new ATOM 0 HA ASN A 78 4.912 12.306 -14.291 1.00 54.21 H new ATOM 0 HB2 ASN A 78 2.455 12.379 -14.477 1.00 34.41 H new ATOM 0 HB3 ASN A 78 2.294 11.248 -13.148 1.00 34.41 H new ATOM 0 HD21 ASN A 78 3.832 14.992 -12.180 1.00 53.15 H new ATOM 0 HD22 ASN A 78 4.388 14.141 -13.625 1.00 53.15 H new ATOM 1228 N ALA A 79 4.837 9.840 -12.156 1.00 4.22 N ATOM 1229 CA ALA A 79 5.434 9.321 -10.931 1.00 74.12 C ATOM 1230 C ALA A 79 5.080 7.851 -10.729 1.00 4.31 C ATOM 1231 O ALA A 79 4.276 7.494 -9.868 1.00 3.12 O ATOM 1232 CB ALA A 79 4.982 10.144 -9.734 1.00 12.00 C ATOM 0 H ALA A 79 4.303 9.154 -12.689 1.00 4.22 H new ATOM 0 HA ALA A 79 6.517 9.398 -11.022 1.00 74.12 H new ATOM 0 HB1 ALA A 79 5.435 9.745 -8.826 1.00 12.00 H new ATOM 0 HB2 ALA A 79 5.290 11.181 -9.868 1.00 12.00 H new ATOM 0 HB3 ALA A 79 3.896 10.096 -9.649 1.00 12.00 H new ATOM 1238 N PRO A 80 5.694 6.977 -11.541 1.00 12.33 N ATOM 1239 CA PRO A 80 5.459 5.532 -11.470 1.00 3.03 C ATOM 1240 C PRO A 80 6.039 4.912 -10.203 1.00 1.21 C ATOM 1241 O PRO A 80 5.569 3.874 -9.736 1.00 42.43 O ATOM 1242 CB PRO A 80 6.182 4.994 -12.707 1.00 40.33 C ATOM 1243 CG PRO A 80 7.238 6.004 -12.998 1.00 0.10 C ATOM 1244 CD PRO A 80 6.664 7.333 -12.590 1.00 20.31 C ATOM 0 HA PRO A 80 4.396 5.293 -11.443 1.00 3.03 H new ATOM 0 HB2 PRO A 80 6.615 4.012 -12.517 1.00 40.33 H new ATOM 0 HB3 PRO A 80 5.498 4.883 -13.548 1.00 40.33 H new ATOM 0 HG2 PRO A 80 8.150 5.786 -12.443 1.00 0.10 H new ATOM 0 HG3 PRO A 80 7.500 6.000 -14.056 1.00 0.10 H new ATOM 0 HD2 PRO A 80 7.435 8.005 -12.213 1.00 20.31 H new ATOM 0 HD3 PRO A 80 6.183 7.837 -13.428 1.00 20.31 H new ATOM 1252 N VAL A 81 7.063 5.555 -9.650 1.00 12.11 N ATOM 1253 CA VAL A 81 7.706 5.067 -8.436 1.00 12.54 C ATOM 1254 C VAL A 81 6.679 4.789 -7.344 1.00 31.12 C ATOM 1255 O VAL A 81 6.918 3.986 -6.441 1.00 54.14 O ATOM 1256 CB VAL A 81 8.742 6.076 -7.905 1.00 51.33 C ATOM 1257 CG1 VAL A 81 8.098 7.436 -7.683 1.00 11.23 C ATOM 1258 CG2 VAL A 81 9.378 5.562 -6.623 1.00 34.24 C ATOM 0 H VAL A 81 7.465 6.415 -10.024 1.00 12.11 H new ATOM 0 HA VAL A 81 8.214 4.139 -8.698 1.00 12.54 H new ATOM 0 HB VAL A 81 9.528 6.191 -8.652 1.00 51.33 H new ATOM 0 HG11 VAL A 81 8.845 8.135 -7.308 1.00 11.23 H new ATOM 0 HG12 VAL A 81 7.695 7.806 -8.626 1.00 11.23 H new ATOM 0 HG13 VAL A 81 7.291 7.342 -6.956 1.00 11.23 H new ATOM 0 HG21 VAL A 81 10.107 6.287 -6.262 1.00 34.24 H new ATOM 0 HG22 VAL A 81 8.606 5.416 -5.867 1.00 34.24 H new ATOM 0 HG23 VAL A 81 9.877 4.613 -6.819 1.00 34.24 H new ATOM 1268 N LYS A 82 5.534 5.457 -7.432 1.00 12.10 N ATOM 1269 CA LYS A 82 4.468 5.281 -6.453 1.00 55.41 C ATOM 1270 C LYS A 82 3.671 4.013 -6.739 1.00 34.44 C ATOM 1271 O LYS A 82 3.664 3.065 -5.953 1.00 14.05 O ATOM 1272 CB LYS A 82 3.535 6.495 -6.461 1.00 31.20 C ATOM 1273 CG LYS A 82 3.669 7.373 -5.229 1.00 45.32 C ATOM 1274 CD LYS A 82 5.082 7.912 -5.080 1.00 65.11 C ATOM 1275 CE LYS A 82 5.172 8.939 -3.962 1.00 24.23 C ATOM 1276 NZ LYS A 82 5.967 8.434 -2.808 1.00 1.21 N ATOM 0 H LYS A 82 5.320 6.126 -8.172 1.00 12.10 H new ATOM 0 HA LYS A 82 4.925 5.188 -5.468 1.00 55.41 H new ATOM 0 HB2 LYS A 82 3.740 7.094 -7.348 1.00 31.20 H new ATOM 0 HB3 LYS A 82 2.504 6.150 -6.541 1.00 31.20 H new ATOM 0 HG2 LYS A 82 2.967 8.204 -5.295 1.00 45.32 H new ATOM 0 HG3 LYS A 82 3.402 6.799 -4.341 1.00 45.32 H new ATOM 0 HD2 LYS A 82 5.767 7.089 -4.875 1.00 65.11 H new ATOM 0 HD3 LYS A 82 5.400 8.366 -6.019 1.00 65.11 H new ATOM 0 HE2 LYS A 82 5.627 9.853 -4.344 1.00 24.23 H new ATOM 0 HE3 LYS A 82 4.168 9.199 -3.626 1.00 24.23 H new ATOM 0 HZ1 LYS A 82 6.005 9.163 -2.067 1.00 1.21 H new ATOM 0 HZ2 LYS A 82 5.519 7.576 -2.427 1.00 1.21 H new ATOM 0 HZ3 LYS A 82 6.932 8.210 -3.123 1.00 1.21 H new ATOM 1290 N PRO A 83 2.984 3.991 -7.890 1.00 74.24 N ATOM 1291 CA PRO A 83 2.172 2.843 -8.307 1.00 24.12 C ATOM 1292 C PRO A 83 3.025 1.635 -8.679 1.00 23.11 C ATOM 1293 O PRO A 83 2.812 0.533 -8.173 1.00 10.11 O ATOM 1294 CB PRO A 83 1.421 3.366 -9.534 1.00 24.32 C ATOM 1295 CG PRO A 83 2.284 4.456 -10.070 1.00 32.13 C ATOM 1296 CD PRO A 83 2.946 5.085 -8.875 1.00 62.13 C ATOM 0 HA PRO A 83 1.518 2.494 -7.508 1.00 24.12 H new ATOM 0 HB2 PRO A 83 1.273 2.579 -10.273 1.00 24.32 H new ATOM 0 HB3 PRO A 83 0.433 3.740 -9.264 1.00 24.32 H new ATOM 0 HG2 PRO A 83 3.026 4.061 -10.764 1.00 32.13 H new ATOM 0 HG3 PRO A 83 1.692 5.188 -10.619 1.00 32.13 H new ATOM 0 HD2 PRO A 83 3.947 5.446 -9.114 1.00 62.13 H new ATOM 0 HD3 PRO A 83 2.379 5.939 -8.505 1.00 62.13 H new ATOM 1304 N ARG A 84 3.992 1.849 -9.566 1.00 13.33 N ATOM 1305 CA ARG A 84 4.876 0.777 -10.006 1.00 3.22 C ATOM 1306 C ARG A 84 5.442 0.014 -8.812 1.00 10.35 C ATOM 1307 O ARG A 84 5.769 -1.167 -8.916 1.00 31.50 O ATOM 1308 CB ARG A 84 6.019 1.344 -10.850 1.00 41.30 C ATOM 1309 CG ARG A 84 6.859 0.278 -11.533 1.00 70.43 C ATOM 1310 CD ARG A 84 8.308 0.716 -11.676 1.00 50.33 C ATOM 1311 NE ARG A 84 8.714 0.818 -13.076 1.00 35.04 N ATOM 1312 CZ ARG A 84 9.974 0.972 -13.466 1.00 72.32 C ATOM 1313 NH1 ARG A 84 10.946 1.041 -12.567 1.00 62.34 N ATOM 1314 NH2 ARG A 84 10.264 1.056 -14.758 1.00 53.33 N ATOM 0 H ARG A 84 4.183 2.755 -9.994 1.00 13.33 H new ATOM 0 HA ARG A 84 4.292 0.086 -10.614 1.00 3.22 H new ATOM 0 HB2 ARG A 84 5.604 2.009 -11.608 1.00 41.30 H new ATOM 0 HB3 ARG A 84 6.664 1.950 -10.213 1.00 41.30 H new ATOM 0 HG2 ARG A 84 6.813 -0.647 -10.958 1.00 70.43 H new ATOM 0 HG3 ARG A 84 6.444 0.062 -12.518 1.00 70.43 H new ATOM 0 HD2 ARG A 84 8.445 1.681 -11.188 1.00 50.33 H new ATOM 0 HD3 ARG A 84 8.954 0.004 -11.162 1.00 50.33 H new ATOM 0 HE ARG A 84 7.990 0.768 -13.793 1.00 35.04 H new ATOM 0 HH11 ARG A 84 10.727 0.976 -11.573 1.00 62.34 H new ATOM 0 HH12 ARG A 84 11.913 1.159 -12.869 1.00 62.34 H new ATOM 0 HH21 ARG A 84 9.519 1.002 -15.452 1.00 53.33 H new ATOM 0 HH22 ARG A 84 11.232 1.174 -15.057 1.00 53.33 H new ATOM 1328 N MET A 85 5.555 0.699 -7.678 1.00 73.01 N ATOM 1329 CA MET A 85 6.080 0.085 -6.464 1.00 42.31 C ATOM 1330 C MET A 85 4.965 -0.583 -5.666 1.00 41.20 C ATOM 1331 O MET A 85 5.035 -1.773 -5.357 1.00 41.03 O ATOM 1332 CB MET A 85 6.784 1.134 -5.600 1.00 74.03 C ATOM 1333 CG MET A 85 8.186 1.474 -6.078 1.00 71.25 C ATOM 1334 SD MET A 85 9.382 0.180 -5.697 1.00 64.13 S ATOM 1335 CE MET A 85 10.272 0.932 -4.337 1.00 22.23 C ATOM 0 H MET A 85 5.290 1.679 -7.575 1.00 73.01 H new ATOM 0 HA MET A 85 6.801 -0.679 -6.756 1.00 42.31 H new ATOM 0 HB2 MET A 85 6.183 2.043 -5.586 1.00 74.03 H new ATOM 0 HB3 MET A 85 6.837 0.771 -4.574 1.00 74.03 H new ATOM 0 HG2 MET A 85 8.168 1.641 -7.155 1.00 71.25 H new ATOM 0 HG3 MET A 85 8.507 2.408 -5.616 1.00 71.25 H new ATOM 0 HE1 MET A 85 11.049 0.251 -3.990 1.00 22.23 H new ATOM 0 HE2 MET A 85 10.729 1.863 -4.672 1.00 22.23 H new ATOM 0 HE3 MET A 85 9.581 1.140 -3.521 1.00 22.23 H new ATOM 1345 N THR A 86 3.936 0.190 -5.334 1.00 12.41 N ATOM 1346 CA THR A 86 2.807 -0.326 -4.571 1.00 32.14 C ATOM 1347 C THR A 86 2.177 -1.527 -5.266 1.00 74.30 C ATOM 1348 O THR A 86 2.163 -2.633 -4.725 1.00 61.42 O ATOM 1349 CB THR A 86 1.729 0.754 -4.360 1.00 44.53 C ATOM 1350 OG1 THR A 86 1.632 1.582 -5.525 1.00 11.24 O ATOM 1351 CG2 THR A 86 2.054 1.613 -3.147 1.00 52.12 C ATOM 0 H THR A 86 3.861 1.177 -5.582 1.00 12.41 H new ATOM 0 HA THR A 86 3.197 -0.634 -3.601 1.00 32.14 H new ATOM 0 HB THR A 86 0.775 0.256 -4.187 1.00 44.53 H new ATOM 0 HG1 THR A 86 2.232 2.351 -5.430 1.00 11.24 H new ATOM 0 HG21 THR A 86 1.279 2.368 -3.018 1.00 52.12 H new ATOM 0 HG22 THR A 86 2.100 0.984 -2.258 1.00 52.12 H new ATOM 0 HG23 THR A 86 3.017 2.102 -3.295 1.00 52.12 H new ATOM 1359 N TYR A 87 1.656 -1.303 -6.467 1.00 70.44 N ATOM 1360 CA TYR A 87 1.022 -2.368 -7.236 1.00 43.13 C ATOM 1361 C TYR A 87 1.934 -3.587 -7.333 1.00 23.21 C ATOM 1362 O TYR A 87 1.468 -4.712 -7.512 1.00 24.13 O ATOM 1363 CB TYR A 87 0.667 -1.871 -8.638 1.00 52.34 C ATOM 1364 CG TYR A 87 0.333 -2.982 -9.608 1.00 44.44 C ATOM 1365 CD1 TYR A 87 -0.655 -3.913 -9.316 1.00 13.20 C ATOM 1366 CD2 TYR A 87 1.007 -3.099 -10.818 1.00 71.32 C ATOM 1367 CE1 TYR A 87 -0.962 -4.930 -10.199 1.00 54.30 C ATOM 1368 CE2 TYR A 87 0.705 -4.112 -11.708 1.00 24.20 C ATOM 1369 CZ TYR A 87 -0.280 -5.025 -11.394 1.00 24.14 C ATOM 1370 OH TYR A 87 -0.584 -6.036 -12.277 1.00 4.24 O ATOM 0 H TYR A 87 1.660 -0.394 -6.929 1.00 70.44 H new ATOM 0 HA TYR A 87 0.108 -2.660 -6.719 1.00 43.13 H new ATOM 0 HB2 TYR A 87 -0.183 -1.192 -8.569 1.00 52.34 H new ATOM 0 HB3 TYR A 87 1.504 -1.295 -9.033 1.00 52.34 H new ATOM 0 HD1 TYR A 87 -1.193 -3.841 -8.382 1.00 13.20 H new ATOM 0 HD2 TYR A 87 1.779 -2.386 -11.067 1.00 71.32 H new ATOM 0 HE1 TYR A 87 -1.732 -5.647 -9.955 1.00 54.30 H new ATOM 0 HE2 TYR A 87 1.237 -4.188 -12.645 1.00 24.20 H new ATOM 0 HH TYR A 87 -1.391 -6.503 -11.974 1.00 4.24 H new ATOM 1380 N ALA A 88 3.237 -3.354 -7.213 1.00 22.34 N ATOM 1381 CA ALA A 88 4.216 -4.432 -7.283 1.00 74.54 C ATOM 1382 C ALA A 88 4.012 -5.434 -6.151 1.00 43.52 C ATOM 1383 O ALA A 88 3.752 -6.612 -6.391 1.00 63.55 O ATOM 1384 CB ALA A 88 5.628 -3.867 -7.243 1.00 74.24 C ATOM 0 H ALA A 88 3.639 -2.428 -7.067 1.00 22.34 H new ATOM 0 HA ALA A 88 4.074 -4.957 -8.227 1.00 74.54 H new ATOM 0 HB1 ALA A 88 6.348 -4.683 -7.296 1.00 74.24 H new ATOM 0 HB2 ALA A 88 5.776 -3.197 -8.090 1.00 74.24 H new ATOM 0 HB3 ALA A 88 5.773 -3.315 -6.314 1.00 74.24 H new ATOM 1390 N SER A 89 4.133 -4.956 -4.917 1.00 22.25 N ATOM 1391 CA SER A 89 3.967 -5.811 -3.747 1.00 0.01 C ATOM 1392 C SER A 89 2.503 -5.873 -3.323 1.00 12.01 C ATOM 1393 O SER A 89 2.156 -6.535 -2.345 1.00 12.22 O ATOM 1394 CB SER A 89 4.824 -5.298 -2.588 1.00 40.21 C ATOM 1395 OG SER A 89 6.049 -6.006 -2.507 1.00 34.34 O ATOM 0 H SER A 89 4.345 -3.982 -4.701 1.00 22.25 H new ATOM 0 HA SER A 89 4.293 -6.816 -4.013 1.00 0.01 H new ATOM 0 HB2 SER A 89 5.023 -4.235 -2.722 1.00 40.21 H new ATOM 0 HB3 SER A 89 4.276 -5.404 -1.652 1.00 40.21 H new ATOM 0 HG SER A 89 6.644 -5.559 -1.869 1.00 34.34 H new ATOM 1401 N SER A 90 1.648 -5.178 -4.067 1.00 30.04 N ATOM 1402 CA SER A 90 0.221 -5.150 -3.767 1.00 2.03 C ATOM 1403 C SER A 90 -0.542 -6.118 -4.666 1.00 10.22 C ATOM 1404 O SER A 90 -1.554 -6.691 -4.263 1.00 73.41 O ATOM 1405 CB SER A 90 -0.330 -3.733 -3.939 1.00 60.33 C ATOM 1406 OG SER A 90 -1.636 -3.625 -3.401 1.00 32.13 O ATOM 0 H SER A 90 1.919 -4.627 -4.882 1.00 30.04 H new ATOM 0 HA SER A 90 0.086 -5.461 -2.731 1.00 2.03 H new ATOM 0 HB2 SER A 90 0.330 -3.020 -3.445 1.00 60.33 H new ATOM 0 HB3 SER A 90 -0.346 -3.472 -4.997 1.00 60.33 H new ATOM 0 HG SER A 90 -1.841 -2.683 -3.227 1.00 32.13 H new ATOM 1412 N LYS A 91 -0.049 -6.295 -5.887 1.00 52.40 N ATOM 1413 CA LYS A 91 -0.682 -7.193 -6.845 1.00 62.32 C ATOM 1414 C LYS A 91 -0.984 -8.545 -6.206 1.00 41.11 C ATOM 1415 O LYS A 91 -1.959 -9.207 -6.563 1.00 1.33 O ATOM 1416 CB LYS A 91 0.219 -7.385 -8.067 1.00 61.14 C ATOM 1417 CG LYS A 91 1.581 -7.969 -7.733 1.00 50.05 C ATOM 1418 CD LYS A 91 1.619 -9.469 -7.973 1.00 55.02 C ATOM 1419 CE LYS A 91 2.393 -10.189 -6.880 1.00 1.10 C ATOM 1420 NZ LYS A 91 3.784 -10.508 -7.304 1.00 44.02 N ATOM 0 H LYS A 91 0.788 -5.828 -6.237 1.00 52.40 H new ATOM 0 HA LYS A 91 -1.623 -6.742 -7.161 1.00 62.32 H new ATOM 0 HB2 LYS A 91 -0.283 -8.040 -8.779 1.00 61.14 H new ATOM 0 HB3 LYS A 91 0.357 -6.423 -8.561 1.00 61.14 H new ATOM 0 HG2 LYS A 91 2.345 -7.483 -8.340 1.00 50.05 H new ATOM 0 HG3 LYS A 91 1.822 -7.760 -6.691 1.00 50.05 H new ATOM 0 HD2 LYS A 91 0.601 -9.857 -8.016 1.00 55.02 H new ATOM 0 HD3 LYS A 91 2.079 -9.672 -8.940 1.00 55.02 H new ATOM 0 HE2 LYS A 91 2.420 -9.568 -5.985 1.00 1.10 H new ATOM 0 HE3 LYS A 91 1.874 -11.110 -6.614 1.00 1.10 H new ATOM 0 HZ1 LYS A 91 4.279 -10.998 -6.532 1.00 44.02 H new ATOM 0 HZ2 LYS A 91 3.759 -11.121 -8.143 1.00 44.02 H new ATOM 0 HZ3 LYS A 91 4.288 -9.627 -7.534 1.00 44.02 H new ATOM 1434 N ASP A 92 -0.143 -8.948 -5.260 1.00 10.21 N ATOM 1435 CA ASP A 92 -0.322 -10.220 -4.569 1.00 41.41 C ATOM 1436 C ASP A 92 -1.749 -10.359 -4.049 1.00 20.34 C ATOM 1437 O ASP A 92 -2.290 -11.462 -3.982 1.00 35.35 O ATOM 1438 CB ASP A 92 0.671 -10.340 -3.411 1.00 55.55 C ATOM 1439 CG ASP A 92 1.471 -11.626 -3.466 1.00 33.02 C ATOM 1440 OD1 ASP A 92 0.946 -12.630 -3.992 1.00 50.23 O ATOM 1441 OD2 ASP A 92 2.622 -11.629 -2.983 1.00 0.03 O ATOM 0 H ASP A 92 0.669 -8.412 -4.954 1.00 10.21 H new ATOM 0 HA ASP A 92 -0.135 -11.023 -5.282 1.00 41.41 H new ATOM 0 HB2 ASP A 92 1.353 -9.490 -3.431 1.00 55.55 H new ATOM 0 HB3 ASP A 92 0.130 -10.292 -2.466 1.00 55.55 H new ATOM 1446 N ALA A 93 -2.352 -9.234 -3.680 1.00 41.43 N ATOM 1447 CA ALA A 93 -3.716 -9.230 -3.167 1.00 20.44 C ATOM 1448 C ALA A 93 -4.721 -8.960 -4.281 1.00 15.13 C ATOM 1449 O ALA A 93 -5.700 -9.691 -4.439 1.00 14.35 O ATOM 1450 CB ALA A 93 -3.861 -8.196 -2.060 1.00 23.52 C ATOM 0 H ALA A 93 -1.917 -8.313 -3.727 1.00 41.43 H new ATOM 0 HA ALA A 93 -3.926 -10.218 -2.756 1.00 20.44 H new ATOM 0 HB1 ALA A 93 -4.885 -8.204 -1.686 1.00 23.52 H new ATOM 0 HB2 ALA A 93 -3.176 -8.435 -1.247 1.00 23.52 H new ATOM 0 HB3 ALA A 93 -3.626 -7.207 -2.453 1.00 23.52 H new ATOM 1456 N LEU A 94 -4.475 -7.906 -5.051 1.00 2.25 N ATOM 1457 CA LEU A 94 -5.360 -7.538 -6.151 1.00 4.04 C ATOM 1458 C LEU A 94 -5.687 -8.751 -7.015 1.00 70.30 C ATOM 1459 O LEU A 94 -6.855 -9.095 -7.204 1.00 65.51 O ATOM 1460 CB LEU A 94 -4.715 -6.447 -7.007 1.00 3.43 C ATOM 1461 CG LEU A 94 -4.691 -5.043 -6.400 1.00 34.43 C ATOM 1462 CD1 LEU A 94 -6.061 -4.677 -5.849 1.00 60.22 C ATOM 1463 CD2 LEU A 94 -3.634 -4.952 -5.309 1.00 52.41 C ATOM 0 H LEU A 94 -3.670 -7.291 -4.934 1.00 2.25 H new ATOM 0 HA LEU A 94 -6.288 -7.156 -5.726 1.00 4.04 H new ATOM 0 HB2 LEU A 94 -3.689 -6.744 -7.226 1.00 3.43 H new ATOM 0 HB3 LEU A 94 -5.243 -6.400 -7.959 1.00 3.43 H new ATOM 0 HG LEU A 94 -4.436 -4.332 -7.186 1.00 34.43 H new ATOM 0 HD11 LEU A 94 -6.025 -3.675 -5.421 1.00 60.22 H new ATOM 0 HD12 LEU A 94 -6.795 -4.702 -6.654 1.00 60.22 H new ATOM 0 HD13 LEU A 94 -6.345 -5.392 -5.076 1.00 60.22 H new ATOM 0 HD21 LEU A 94 -3.631 -3.946 -4.888 1.00 52.41 H new ATOM 0 HD22 LEU A 94 -3.859 -5.673 -4.523 1.00 52.41 H new ATOM 0 HD23 LEU A 94 -2.654 -5.171 -5.733 1.00 52.41 H new ATOM 1475 N LEU A 95 -4.650 -9.397 -7.536 1.00 23.31 N ATOM 1476 CA LEU A 95 -4.826 -10.575 -8.379 1.00 14.31 C ATOM 1477 C LEU A 95 -5.515 -11.697 -7.609 1.00 73.02 C ATOM 1478 O LEU A 95 -6.181 -12.550 -8.197 1.00 25.33 O ATOM 1479 CB LEU A 95 -3.473 -11.057 -8.905 1.00 35.31 C ATOM 1480 CG LEU A 95 -3.050 -10.512 -10.269 1.00 55.23 C ATOM 1481 CD1 LEU A 95 -1.538 -10.371 -10.342 1.00 40.03 C ATOM 1482 CD2 LEU A 95 -3.558 -11.413 -11.385 1.00 35.30 C ATOM 0 H LEU A 95 -3.678 -9.125 -7.390 1.00 23.31 H new ATOM 0 HA LEU A 95 -5.458 -10.297 -9.222 1.00 14.31 H new ATOM 0 HB2 LEU A 95 -2.707 -10.791 -8.177 1.00 35.31 H new ATOM 0 HB3 LEU A 95 -3.495 -12.145 -8.962 1.00 35.31 H new ATOM 0 HG LEU A 95 -3.493 -9.524 -10.397 1.00 55.23 H new ATOM 0 HD11 LEU A 95 -1.256 -9.982 -11.320 1.00 40.03 H new ATOM 0 HD12 LEU A 95 -1.199 -9.684 -9.566 1.00 40.03 H new ATOM 0 HD13 LEU A 95 -1.074 -11.346 -10.192 1.00 40.03 H new ATOM 0 HD21 LEU A 95 -3.247 -11.009 -12.349 1.00 35.30 H new ATOM 0 HD22 LEU A 95 -3.145 -12.414 -11.261 1.00 35.30 H new ATOM 0 HD23 LEU A 95 -4.646 -11.462 -11.346 1.00 35.30 H new ATOM 1494 N LYS A 96 -5.353 -11.689 -6.290 1.00 72.15 N ATOM 1495 CA LYS A 96 -5.962 -12.704 -5.438 1.00 42.32 C ATOM 1496 C LYS A 96 -7.414 -12.355 -5.129 1.00 11.41 C ATOM 1497 O LYS A 96 -8.183 -13.200 -4.670 1.00 24.00 O ATOM 1498 CB LYS A 96 -5.172 -12.846 -4.135 1.00 44.34 C ATOM 1499 CG LYS A 96 -4.120 -13.941 -4.178 1.00 35.32 C ATOM 1500 CD LYS A 96 -3.206 -13.790 -5.382 1.00 21.22 C ATOM 1501 CE LYS A 96 -3.659 -14.667 -6.539 1.00 42.13 C ATOM 1502 NZ LYS A 96 -2.553 -15.522 -7.053 1.00 50.34 N ATOM 0 H LYS A 96 -4.805 -10.991 -5.788 1.00 72.15 H new ATOM 0 HA LYS A 96 -5.941 -13.653 -5.974 1.00 42.32 H new ATOM 0 HB2 LYS A 96 -4.687 -11.896 -3.909 1.00 44.34 H new ATOM 0 HB3 LYS A 96 -5.866 -13.052 -3.320 1.00 44.34 H new ATOM 0 HG2 LYS A 96 -3.527 -13.913 -3.264 1.00 35.32 H new ATOM 0 HG3 LYS A 96 -4.608 -14.915 -4.211 1.00 35.32 H new ATOM 0 HD2 LYS A 96 -3.190 -12.747 -5.699 1.00 21.22 H new ATOM 0 HD3 LYS A 96 -2.186 -14.054 -5.101 1.00 21.22 H new ATOM 0 HE2 LYS A 96 -4.485 -15.299 -6.214 1.00 42.13 H new ATOM 0 HE3 LYS A 96 -4.037 -14.038 -7.345 1.00 42.13 H new ATOM 0 HZ1 LYS A 96 -2.902 -16.105 -7.841 1.00 50.34 H new ATOM 0 HZ2 LYS A 96 -1.774 -14.919 -7.387 1.00 50.34 H new ATOM 0 HZ3 LYS A 96 -2.209 -16.140 -6.291 1.00 50.34 H new ATOM 1516 N LYS A 97 -7.785 -11.104 -5.384 1.00 64.42 N ATOM 1517 CA LYS A 97 -9.145 -10.643 -5.136 1.00 34.41 C ATOM 1518 C LYS A 97 -10.036 -10.897 -6.348 1.00 65.23 C ATOM 1519 O LYS A 97 -11.263 -10.894 -6.242 1.00 23.32 O ATOM 1520 CB LYS A 97 -9.146 -9.152 -4.793 1.00 1.01 C ATOM 1521 CG LYS A 97 -8.615 -8.847 -3.403 1.00 32.43 C ATOM 1522 CD LYS A 97 -9.383 -9.607 -2.334 1.00 14.31 C ATOM 1523 CE LYS A 97 -8.610 -10.824 -1.850 1.00 41.32 C ATOM 1524 NZ LYS A 97 -9.467 -11.745 -1.054 1.00 1.04 N ATOM 0 H LYS A 97 -7.161 -10.391 -5.763 1.00 64.42 H new ATOM 0 HA LYS A 97 -9.543 -11.204 -4.291 1.00 34.41 H new ATOM 0 HB2 LYS A 97 -8.544 -8.618 -5.528 1.00 1.01 H new ATOM 0 HB3 LYS A 97 -10.163 -8.769 -4.876 1.00 1.01 H new ATOM 0 HG2 LYS A 97 -7.559 -9.110 -3.350 1.00 32.43 H new ATOM 0 HG3 LYS A 97 -8.687 -7.776 -3.212 1.00 32.43 H new ATOM 0 HD2 LYS A 97 -9.587 -8.946 -1.492 1.00 14.31 H new ATOM 0 HD3 LYS A 97 -10.347 -9.922 -2.732 1.00 14.31 H new ATOM 0 HE2 LYS A 97 -8.201 -11.359 -2.707 1.00 41.32 H new ATOM 0 HE3 LYS A 97 -7.765 -10.500 -1.243 1.00 41.32 H new ATOM 0 HZ1 LYS A 97 -8.903 -12.562 -0.743 1.00 1.04 H new ATOM 0 HZ2 LYS A 97 -9.837 -11.243 -0.222 1.00 1.04 H new ATOM 0 HZ3 LYS A 97 -10.260 -12.075 -1.640 1.00 1.04 H new ATOM 1538 N LEU A 98 -9.410 -11.118 -7.499 1.00 55.05 N ATOM 1539 CA LEU A 98 -10.146 -11.376 -8.733 1.00 13.55 C ATOM 1540 C LEU A 98 -10.483 -12.857 -8.866 1.00 73.12 C ATOM 1541 O LEU A 98 -10.155 -13.660 -7.992 1.00 53.13 O ATOM 1542 CB LEU A 98 -9.331 -10.915 -9.942 1.00 63.20 C ATOM 1543 CG LEU A 98 -8.694 -9.529 -9.834 1.00 54.02 C ATOM 1544 CD1 LEU A 98 -7.426 -9.457 -10.670 1.00 71.33 C ATOM 1545 CD2 LEU A 98 -9.681 -8.454 -10.266 1.00 33.12 C ATOM 0 H LEU A 98 -8.395 -11.124 -7.604 1.00 55.05 H new ATOM 0 HA LEU A 98 -11.078 -10.813 -8.696 1.00 13.55 H new ATOM 0 HB2 LEU A 98 -8.540 -11.643 -10.121 1.00 63.20 H new ATOM 0 HB3 LEU A 98 -9.979 -10.927 -10.818 1.00 63.20 H new ATOM 0 HG LEU A 98 -8.428 -9.353 -8.792 1.00 54.02 H new ATOM 0 HD11 LEU A 98 -6.987 -8.463 -10.580 1.00 71.33 H new ATOM 0 HD12 LEU A 98 -6.714 -10.202 -10.315 1.00 71.33 H new ATOM 0 HD13 LEU A 98 -7.667 -9.654 -11.715 1.00 71.33 H new ATOM 0 HD21 LEU A 98 -9.211 -7.474 -10.183 1.00 33.12 H new ATOM 0 HD22 LEU A 98 -9.978 -8.627 -11.300 1.00 33.12 H new ATOM 0 HD23 LEU A 98 -10.562 -8.490 -9.625 1.00 33.12 H new ATOM 1557 N ASP A 99 -11.138 -13.213 -9.966 1.00 41.41 N ATOM 1558 CA ASP A 99 -11.516 -14.599 -10.216 1.00 55.53 C ATOM 1559 C ASP A 99 -11.129 -15.021 -11.630 1.00 52.11 C ATOM 1560 O ASP A 99 -11.798 -14.667 -12.600 1.00 12.31 O ATOM 1561 CB ASP A 99 -13.020 -14.784 -10.009 1.00 75.12 C ATOM 1562 CG ASP A 99 -13.335 -15.718 -8.857 1.00 13.31 C ATOM 1563 OD1 ASP A 99 -12.599 -15.685 -7.848 1.00 71.34 O ATOM 1564 OD2 ASP A 99 -14.318 -16.480 -8.963 1.00 55.02 O ATOM 0 H ASP A 99 -11.418 -12.561 -10.699 1.00 41.41 H new ATOM 0 HA ASP A 99 -10.979 -15.230 -9.508 1.00 55.53 H new ATOM 0 HB2 ASP A 99 -13.480 -13.814 -9.823 1.00 75.12 H new ATOM 0 HB3 ASP A 99 -13.464 -15.177 -10.924 1.00 75.12 H new ATOM 1569 N GLY A 100 -10.043 -15.780 -11.739 1.00 41.11 N ATOM 1570 CA GLY A 100 -9.585 -16.237 -13.038 1.00 44.11 C ATOM 1571 C GLY A 100 -8.455 -15.388 -13.586 1.00 4.12 C ATOM 1572 O GLY A 100 -7.878 -15.706 -14.625 1.00 62.12 O ATOM 0 H GLY A 100 -9.472 -16.087 -10.951 1.00 41.11 H new ATOM 0 HA2 GLY A 100 -9.252 -17.272 -12.959 1.00 44.11 H new ATOM 0 HA3 GLY A 100 -10.419 -16.223 -13.740 1.00 44.11 H new ATOM 1576 N ALA A 101 -8.139 -14.303 -12.886 1.00 24.22 N ATOM 1577 CA ALA A 101 -7.070 -13.406 -13.308 1.00 32.10 C ATOM 1578 C ALA A 101 -5.746 -14.151 -13.434 1.00 64.04 C ATOM 1579 O ALA A 101 -5.165 -14.582 -12.437 1.00 53.41 O ATOM 1580 CB ALA A 101 -6.936 -12.249 -12.330 1.00 4.52 C ATOM 0 H ALA A 101 -8.608 -14.024 -12.024 1.00 24.22 H new ATOM 0 HA ALA A 101 -7.328 -13.009 -14.290 1.00 32.10 H new ATOM 0 HB1 ALA A 101 -6.134 -11.587 -12.657 1.00 4.52 H new ATOM 0 HB2 ALA A 101 -7.873 -11.693 -12.293 1.00 4.52 H new ATOM 0 HB3 ALA A 101 -6.705 -12.636 -11.338 1.00 4.52 H new ATOM 1586 N THR A 102 -5.271 -14.301 -14.667 1.00 54.04 N ATOM 1587 CA THR A 102 -4.016 -14.996 -14.924 1.00 53.43 C ATOM 1588 C THR A 102 -2.865 -14.009 -15.088 1.00 35.41 C ATOM 1589 O THR A 102 -3.006 -12.822 -14.795 1.00 35.50 O ATOM 1590 CB THR A 102 -4.108 -15.874 -16.187 1.00 13.44 C ATOM 1591 OG1 THR A 102 -4.109 -15.049 -17.358 1.00 32.44 O ATOM 1592 CG2 THR A 102 -5.366 -16.728 -16.161 1.00 35.22 C ATOM 0 H THR A 102 -5.737 -13.950 -15.504 1.00 54.04 H new ATOM 0 HA THR A 102 -3.825 -15.633 -14.061 1.00 53.43 H new ATOM 0 HB THR A 102 -3.241 -16.534 -16.209 1.00 13.44 H new ATOM 0 HG1 THR A 102 -4.166 -15.614 -18.156 1.00 32.44 H new ATOM 0 HG21 THR A 102 -5.409 -17.339 -17.062 1.00 35.22 H new ATOM 0 HG22 THR A 102 -5.348 -17.375 -15.284 1.00 35.22 H new ATOM 0 HG23 THR A 102 -6.243 -16.082 -16.118 1.00 35.22 H new ATOM 1600 N ALA A 103 -1.727 -14.508 -15.558 1.00 70.31 N ATOM 1601 CA ALA A 103 -0.553 -13.670 -15.763 1.00 45.23 C ATOM 1602 C ALA A 103 -0.558 -13.048 -17.156 1.00 14.25 C ATOM 1603 O ALA A 103 0.459 -12.536 -17.622 1.00 43.02 O ATOM 1604 CB ALA A 103 0.718 -14.480 -15.550 1.00 52.43 C ATOM 0 H ALA A 103 -1.593 -15.489 -15.804 1.00 70.31 H new ATOM 0 HA ALA A 103 -0.583 -12.862 -15.032 1.00 45.23 H new ATOM 0 HB1 ALA A 103 1.587 -13.841 -15.706 1.00 52.43 H new ATOM 0 HB2 ALA A 103 0.734 -14.871 -14.533 1.00 52.43 H new ATOM 0 HB3 ALA A 103 0.744 -15.308 -16.258 1.00 52.43 H new ATOM 1610 N VAL A 104 -1.711 -13.096 -17.815 1.00 54.03 N ATOM 1611 CA VAL A 104 -1.850 -12.537 -19.155 1.00 2.33 C ATOM 1612 C VAL A 104 -1.933 -11.015 -19.109 1.00 34.20 C ATOM 1613 O VAL A 104 -2.045 -10.358 -20.143 1.00 61.25 O ATOM 1614 CB VAL A 104 -3.100 -13.087 -19.867 1.00 23.54 C ATOM 1615 CG1 VAL A 104 -4.365 -12.536 -19.227 1.00 61.31 C ATOM 1616 CG2 VAL A 104 -3.055 -12.758 -21.351 1.00 55.10 C ATOM 0 H VAL A 104 -2.563 -13.516 -17.443 1.00 54.03 H new ATOM 0 HA VAL A 104 -0.963 -12.834 -19.715 1.00 2.33 H new ATOM 0 HB VAL A 104 -3.111 -14.172 -19.759 1.00 23.54 H new ATOM 0 HG11 VAL A 104 -5.238 -12.936 -19.743 1.00 61.31 H new ATOM 0 HG12 VAL A 104 -4.399 -12.828 -18.177 1.00 61.31 H new ATOM 0 HG13 VAL A 104 -4.366 -11.449 -19.301 1.00 61.31 H new ATOM 0 HG21 VAL A 104 -3.946 -13.154 -21.839 1.00 55.10 H new ATOM 0 HG22 VAL A 104 -3.019 -11.677 -21.483 1.00 55.10 H new ATOM 0 HG23 VAL A 104 -2.167 -13.207 -21.797 1.00 55.10 H new ATOM 1626 N ALA A 105 -1.878 -10.461 -17.902 1.00 75.12 N ATOM 1627 CA ALA A 105 -1.945 -9.016 -17.721 1.00 74.33 C ATOM 1628 C ALA A 105 -0.830 -8.315 -18.489 1.00 52.40 C ATOM 1629 O ALA A 105 0.168 -8.934 -18.858 1.00 64.12 O ATOM 1630 CB ALA A 105 -1.872 -8.666 -16.243 1.00 14.44 C ATOM 0 H ALA A 105 -1.787 -10.991 -17.035 1.00 75.12 H new ATOM 0 HA ALA A 105 -2.898 -8.668 -18.118 1.00 74.33 H new ATOM 0 HB1 ALA A 105 -1.923 -7.584 -16.122 1.00 14.44 H new ATOM 0 HB2 ALA A 105 -2.707 -9.129 -15.718 1.00 14.44 H new ATOM 0 HB3 ALA A 105 -0.933 -9.033 -15.828 1.00 14.44 H new ATOM 1636 N LEU A 106 -1.006 -7.020 -18.727 1.00 55.31 N ATOM 1637 CA LEU A 106 -0.015 -6.233 -19.452 1.00 64.12 C ATOM 1638 C LEU A 106 0.262 -4.914 -18.739 1.00 13.44 C ATOM 1639 O LEU A 106 -0.655 -4.268 -18.232 1.00 50.20 O ATOM 1640 CB LEU A 106 -0.493 -5.964 -20.880 1.00 11.51 C ATOM 1641 CG LEU A 106 0.100 -4.732 -21.565 1.00 64.35 C ATOM 1642 CD1 LEU A 106 1.607 -4.878 -21.714 1.00 72.32 C ATOM 1643 CD2 LEU A 106 -0.552 -4.511 -22.922 1.00 54.31 C ATOM 0 H LEU A 106 -1.826 -6.493 -18.428 1.00 55.31 H new ATOM 0 HA LEU A 106 0.911 -6.806 -19.488 1.00 64.12 H new ATOM 0 HB2 LEU A 106 -0.265 -6.839 -21.489 1.00 11.51 H new ATOM 0 HB3 LEU A 106 -1.578 -5.860 -20.865 1.00 11.51 H new ATOM 0 HG LEU A 106 -0.101 -3.861 -20.941 1.00 64.35 H new ATOM 0 HD11 LEU A 106 2.012 -3.992 -22.203 1.00 72.32 H new ATOM 0 HD12 LEU A 106 2.061 -4.988 -20.729 1.00 72.32 H new ATOM 0 HD13 LEU A 106 1.829 -5.759 -22.316 1.00 72.32 H new ATOM 0 HD21 LEU A 106 -0.118 -3.630 -23.395 1.00 54.31 H new ATOM 0 HD22 LEU A 106 -0.382 -5.383 -23.554 1.00 54.31 H new ATOM 0 HD23 LEU A 106 -1.624 -4.361 -22.791 1.00 54.31 H new ATOM 1655 N GLU A 107 1.531 -4.519 -18.705 1.00 73.11 N ATOM 1656 CA GLU A 107 1.926 -3.275 -18.055 1.00 25.53 C ATOM 1657 C GLU A 107 2.944 -2.518 -18.903 1.00 12.31 C ATOM 1658 O GLU A 107 4.132 -2.837 -18.899 1.00 21.40 O ATOM 1659 CB GLU A 107 2.512 -3.562 -16.671 1.00 5.14 C ATOM 1660 CG GLU A 107 3.617 -4.605 -16.681 1.00 44.24 C ATOM 1661 CD GLU A 107 3.215 -5.888 -15.981 1.00 61.33 C ATOM 1662 OE1 GLU A 107 2.877 -5.829 -14.781 1.00 32.12 O ATOM 1663 OE2 GLU A 107 3.238 -6.952 -16.635 1.00 24.30 O ATOM 0 H GLU A 107 2.302 -5.042 -19.120 1.00 73.11 H new ATOM 0 HA GLU A 107 1.037 -2.654 -17.944 1.00 25.53 H new ATOM 0 HB2 GLU A 107 2.903 -2.635 -16.252 1.00 5.14 H new ATOM 0 HB3 GLU A 107 1.713 -3.898 -16.010 1.00 5.14 H new ATOM 0 HG2 GLU A 107 3.891 -4.829 -17.712 1.00 44.24 H new ATOM 0 HG3 GLU A 107 4.503 -4.194 -16.198 1.00 44.24 H new ATOM 1670 N ALA A 108 2.467 -1.512 -19.630 1.00 25.13 N ATOM 1671 CA ALA A 108 3.334 -0.708 -20.482 1.00 4.43 C ATOM 1672 C ALA A 108 2.900 0.754 -20.483 1.00 74.02 C ATOM 1673 O ALA A 108 1.707 1.058 -20.431 1.00 62.42 O ATOM 1674 CB ALA A 108 3.341 -1.260 -21.899 1.00 51.14 C ATOM 0 H ALA A 108 1.485 -1.235 -19.646 1.00 25.13 H new ATOM 0 HA ALA A 108 4.346 -0.759 -20.080 1.00 4.43 H new ATOM 0 HB1 ALA A 108 3.993 -0.650 -22.524 1.00 51.14 H new ATOM 0 HB2 ALA A 108 3.707 -2.287 -21.888 1.00 51.14 H new ATOM 0 HB3 ALA A 108 2.329 -1.240 -22.302 1.00 51.14 H new ATOM 1680 N HIS A 109 3.874 1.656 -20.542 1.00 52.45 N ATOM 1681 CA HIS A 109 3.591 3.087 -20.551 1.00 10.34 C ATOM 1682 C HIS A 109 3.880 3.690 -21.922 1.00 53.40 C ATOM 1683 O HIS A 109 5.029 3.979 -22.253 1.00 61.03 O ATOM 1684 CB HIS A 109 4.422 3.799 -19.482 1.00 71.15 C ATOM 1685 CG HIS A 109 5.874 3.431 -19.510 1.00 14.55 C ATOM 1686 ND1 HIS A 109 6.836 4.209 -20.118 1.00 54.44 N ATOM 1687 CD2 HIS A 109 6.526 2.362 -18.997 1.00 11.14 C ATOM 1688 CE1 HIS A 109 8.017 3.634 -19.980 1.00 75.33 C ATOM 1689 NE2 HIS A 109 7.856 2.511 -19.303 1.00 2.33 N ATOM 0 H HIS A 109 4.866 1.422 -20.584 1.00 52.45 H new ATOM 0 HA HIS A 109 2.533 3.224 -20.330 1.00 10.34 H new ATOM 0 HB2 HIS A 109 4.326 4.876 -19.616 1.00 71.15 H new ATOM 0 HB3 HIS A 109 4.014 3.563 -18.499 1.00 71.15 H new ATOM 0 HD2 HIS A 109 6.083 1.544 -18.449 1.00 11.14 H new ATOM 0 HE1 HIS A 109 8.954 4.017 -20.356 1.00 75.33 H new ATOM 0 HE2 HIS A 109 8.599 1.860 -19.049 1.00 2.33 H new ATOM 1697 N GLU A 110 2.829 3.877 -22.714 1.00 73.14 N ATOM 1698 CA GLU A 110 2.971 4.444 -24.050 1.00 42.02 C ATOM 1699 C GLU A 110 1.626 4.932 -24.580 1.00 40.23 C ATOM 1700 O GLU A 110 0.579 4.649 -24.000 1.00 34.22 O ATOM 1701 CB GLU A 110 3.564 3.408 -25.008 1.00 35.02 C ATOM 1702 CG GLU A 110 3.089 1.990 -24.740 1.00 35.21 C ATOM 1703 CD GLU A 110 3.026 1.148 -25.999 1.00 63.43 C ATOM 1704 OE1 GLU A 110 4.069 0.579 -26.386 1.00 14.13 O ATOM 1705 OE2 GLU A 110 1.934 1.057 -26.598 1.00 41.23 O ATOM 0 H GLU A 110 1.871 3.644 -22.454 1.00 73.14 H new ATOM 0 HA GLU A 110 3.647 5.297 -23.985 1.00 42.02 H new ATOM 0 HB2 GLU A 110 3.306 3.682 -26.031 1.00 35.02 H new ATOM 0 HB3 GLU A 110 4.651 3.438 -24.935 1.00 35.02 H new ATOM 0 HG2 GLU A 110 3.759 1.516 -24.023 1.00 35.21 H new ATOM 0 HG3 GLU A 110 2.102 2.023 -24.279 1.00 35.21 H new ATOM 1712 N MET A 111 1.664 5.668 -25.686 1.00 63.15 N ATOM 1713 CA MET A 111 0.449 6.195 -26.296 1.00 13.25 C ATOM 1714 C MET A 111 -0.217 5.144 -27.179 1.00 2.45 C ATOM 1715 O MET A 111 -1.425 5.185 -27.405 1.00 14.03 O ATOM 1716 CB MET A 111 0.766 7.444 -27.120 1.00 43.11 C ATOM 1717 CG MET A 111 -0.385 7.899 -28.003 1.00 21.45 C ATOM 1718 SD MET A 111 -0.049 9.465 -28.830 1.00 14.22 S ATOM 1719 CE MET A 111 -1.708 10.118 -29.004 1.00 11.44 C ATOM 0 H MET A 111 2.523 5.913 -26.178 1.00 63.15 H new ATOM 0 HA MET A 111 -0.242 6.462 -25.496 1.00 13.25 H new ATOM 0 HB2 MET A 111 1.038 8.255 -26.445 1.00 43.11 H new ATOM 0 HB3 MET A 111 1.636 7.245 -27.746 1.00 43.11 H new ATOM 0 HG2 MET A 111 -0.588 7.133 -28.752 1.00 21.45 H new ATOM 0 HG3 MET A 111 -1.285 7.999 -27.397 1.00 21.45 H new ATOM 0 HE1 MET A 111 -1.667 11.088 -29.500 1.00 11.44 H new ATOM 0 HE2 MET A 111 -2.309 9.431 -29.599 1.00 11.44 H new ATOM 0 HE3 MET A 111 -2.159 10.234 -28.018 1.00 11.44 H new ATOM 1729 N GLY A 112 0.581 4.204 -27.675 1.00 72.35 N ATOM 1730 CA GLY A 112 0.051 3.156 -28.528 1.00 54.14 C ATOM 1731 C GLY A 112 -0.936 2.262 -27.803 1.00 63.04 C ATOM 1732 O GLY A 112 -1.658 1.487 -28.430 1.00 72.12 O ATOM 0 H GLY A 112 1.585 4.149 -27.502 1.00 72.35 H new ATOM 0 HA2 GLY A 112 -0.438 3.607 -29.391 1.00 54.14 H new ATOM 0 HA3 GLY A 112 0.874 2.550 -28.908 1.00 54.14 H new ATOM 1736 N ASP A 113 -0.965 2.368 -26.480 1.00 31.25 N ATOM 1737 CA ASP A 113 -1.870 1.562 -25.668 1.00 63.30 C ATOM 1738 C ASP A 113 -3.299 2.088 -25.762 1.00 24.41 C ATOM 1739 O ASP A 113 -4.259 1.319 -25.709 1.00 74.52 O ATOM 1740 CB ASP A 113 -1.411 1.554 -24.209 1.00 44.21 C ATOM 1741 CG ASP A 113 -1.724 0.246 -23.510 1.00 64.44 C ATOM 1742 OD1 ASP A 113 -1.317 -0.815 -24.028 1.00 62.14 O ATOM 1743 OD2 ASP A 113 -2.376 0.282 -22.446 1.00 11.20 O ATOM 0 H ASP A 113 -0.373 3.004 -25.946 1.00 31.25 H new ATOM 0 HA ASP A 113 -1.851 0.542 -26.052 1.00 63.30 H new ATOM 0 HB2 ASP A 113 -0.337 1.736 -24.168 1.00 44.21 H new ATOM 0 HB3 ASP A 113 -1.894 2.372 -23.675 1.00 44.21 H new ATOM 1748 N LEU A 114 -3.432 3.402 -25.900 1.00 42.11 N ATOM 1749 CA LEU A 114 -4.744 4.032 -26.000 1.00 61.23 C ATOM 1750 C LEU A 114 -5.171 4.172 -27.458 1.00 5.41 C ATOM 1751 O LEU A 114 -6.093 4.923 -27.775 1.00 63.14 O ATOM 1752 CB LEU A 114 -4.725 5.406 -25.328 1.00 23.42 C ATOM 1753 CG LEU A 114 -3.967 5.494 -24.003 1.00 24.12 C ATOM 1754 CD1 LEU A 114 -3.864 6.939 -23.542 1.00 13.44 C ATOM 1755 CD2 LEU A 114 -4.646 4.640 -22.942 1.00 1.42 C ATOM 0 H LEU A 114 -2.648 4.052 -25.945 1.00 42.11 H new ATOM 0 HA LEU A 114 -5.465 3.395 -25.489 1.00 61.23 H new ATOM 0 HB2 LEU A 114 -4.286 6.122 -26.023 1.00 23.42 H new ATOM 0 HB3 LEU A 114 -5.755 5.719 -25.156 1.00 23.42 H new ATOM 0 HG LEU A 114 -2.958 5.111 -24.157 1.00 24.12 H new ATOM 0 HD11 LEU A 114 -3.321 6.982 -22.598 1.00 13.44 H new ATOM 0 HD12 LEU A 114 -3.332 7.523 -24.293 1.00 13.44 H new ATOM 0 HD13 LEU A 114 -4.864 7.349 -23.405 1.00 13.44 H new ATOM 0 HD21 LEU A 114 -4.093 4.715 -22.006 1.00 1.42 H new ATOM 0 HD22 LEU A 114 -5.666 4.992 -22.790 1.00 1.42 H new ATOM 0 HD23 LEU A 114 -4.666 3.601 -23.270 1.00 1.42 H new ATOM 1767 N ALA A 115 -4.494 3.444 -28.340 1.00 34.41 N ATOM 1768 CA ALA A 115 -4.806 3.484 -29.763 1.00 72.22 C ATOM 1769 C ALA A 115 -5.869 2.451 -30.122 1.00 22.42 C ATOM 1770 O ALA A 115 -6.991 2.785 -30.502 1.00 50.11 O ATOM 1771 CB ALA A 115 -3.547 3.256 -30.586 1.00 62.10 C ATOM 0 H ALA A 115 -3.726 2.820 -28.094 1.00 34.41 H new ATOM 0 HA ALA A 115 -5.204 4.472 -29.994 1.00 72.22 H new ATOM 0 HB1 ALA A 115 -3.795 3.288 -31.647 1.00 62.10 H new ATOM 0 HB2 ALA A 115 -2.818 4.034 -30.360 1.00 62.10 H new ATOM 0 HB3 ALA A 115 -3.124 2.281 -30.342 1.00 62.10 H new ATOM 1777 N PRO A 116 -5.510 1.164 -30.000 1.00 5.15 N ATOM 1778 CA PRO A 116 -6.418 0.056 -30.306 1.00 75.33 C ATOM 1779 C PRO A 116 -7.551 -0.063 -29.292 1.00 53.45 C ATOM 1780 O PRO A 116 -8.599 -0.642 -29.582 1.00 31.13 O ATOM 1781 CB PRO A 116 -5.511 -1.176 -30.241 1.00 14.53 C ATOM 1782 CG PRO A 116 -4.401 -0.780 -29.330 1.00 43.42 C ATOM 1783 CD PRO A 116 -4.188 0.692 -29.552 1.00 13.52 C ATOM 0 HA PRO A 116 -6.911 0.189 -31.269 1.00 75.33 H new ATOM 0 HB2 PRO A 116 -6.048 -2.043 -29.857 1.00 14.53 H new ATOM 0 HB3 PRO A 116 -5.136 -1.444 -31.229 1.00 14.53 H new ATOM 0 HG2 PRO A 116 -4.657 -0.985 -28.291 1.00 43.42 H new ATOM 0 HG3 PRO A 116 -3.495 -1.343 -29.552 1.00 43.42 H new ATOM 0 HD2 PRO A 116 -3.870 1.194 -28.638 1.00 13.52 H new ATOM 0 HD3 PRO A 116 -3.419 0.878 -30.302 1.00 13.52 H new ATOM 1791 N LEU A 117 -7.335 0.490 -28.104 1.00 33.01 N ATOM 1792 CA LEU A 117 -8.339 0.447 -27.046 1.00 71.13 C ATOM 1793 C LEU A 117 -8.561 -0.983 -26.564 1.00 1.01 C ATOM 1794 O LEU A 117 -8.099 -1.364 -25.489 1.00 35.34 O ATOM 1795 CB LEU A 117 -9.659 1.040 -27.544 1.00 65.30 C ATOM 1796 CG LEU A 117 -9.590 2.467 -28.089 1.00 61.45 C ATOM 1797 CD1 LEU A 117 -8.310 3.150 -27.636 1.00 4.53 C ATOM 1798 CD2 LEU A 117 -9.685 2.462 -29.608 1.00 40.12 C ATOM 0 H LEU A 117 -6.474 0.973 -27.849 1.00 33.01 H new ATOM 0 HA LEU A 117 -7.974 1.041 -26.208 1.00 71.13 H new ATOM 0 HB2 LEU A 117 -10.053 0.392 -28.327 1.00 65.30 H new ATOM 0 HB3 LEU A 117 -10.376 1.020 -26.723 1.00 65.30 H new ATOM 0 HG LEU A 117 -10.436 3.028 -27.693 1.00 61.45 H new ATOM 0 HD11 LEU A 117 -8.279 4.164 -28.034 1.00 4.53 H new ATOM 0 HD12 LEU A 117 -8.283 3.186 -26.547 1.00 4.53 H new ATOM 0 HD13 LEU A 117 -7.450 2.590 -28.002 1.00 4.53 H new ATOM 0 HD21 LEU A 117 -9.634 3.486 -29.979 1.00 40.12 H new ATOM 0 HD22 LEU A 117 -8.859 1.884 -30.022 1.00 40.12 H new ATOM 0 HD23 LEU A 117 -10.630 2.012 -29.912 1.00 40.12 H new ATOM 1810 N ALA A 118 -9.268 -1.770 -27.368 1.00 34.24 N ATOM 1811 CA ALA A 118 -9.547 -3.159 -27.025 1.00 34.13 C ATOM 1812 C ALA A 118 -8.469 -4.087 -27.574 1.00 33.43 C ATOM 1813 O ALA A 118 -8.342 -4.258 -28.787 1.00 13.41 O ATOM 1814 CB ALA A 118 -10.916 -3.568 -27.550 1.00 2.33 C ATOM 0 H ALA A 118 -9.658 -1.469 -28.261 1.00 34.24 H new ATOM 0 HA ALA A 118 -9.546 -3.246 -25.939 1.00 34.13 H new ATOM 0 HB1 ALA A 118 -11.111 -4.608 -27.287 1.00 2.33 H new ATOM 0 HB2 ALA A 118 -11.681 -2.931 -27.106 1.00 2.33 H new ATOM 0 HB3 ALA A 118 -10.938 -3.458 -28.634 1.00 2.33 H new TER 1820 ALA A 118