USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 765 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 82 ASN : amide:sc= 1.37 K(o=3.7,f=2.2) USER MOD Set 1.2: A 84 THR OG1 : rot 72:sc= 0.871 USER MOD Set 1.3: A 97 SER OG : rot 72:sc= 1.46 USER MOD Set 2.1: A 80 ASN : amide:sc= -0.622 K(o=-0.62,f=-2) USER MOD Set 2.2: A 103 MET CE :methyl 149:sc= 0 (180deg=-0.609) USER MOD Set 3.1: A 76 THR OG1 : rot 2:sc= 0.904 USER MOD Set 3.2: A 79 ASN : amide:sc= 0.121 K(o=1,f=-3.5!) USER MOD Set 4.1: A 22 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=-0.18) USER MOD Set 4.2: A 73 ASN : amide:sc= 0 X(o=-0.027,f=-0.36) USER MOD Set 5.1: A 28 SER OG : rot -86:sc= 0.00914 USER MOD Set 5.2: A 67 HIS : no HD1:sc= 1.01 K(o=1,f=-3.6!) USER MOD Single : A 1 ASP N :NH3+ -169:sc=-0.00609 (180deg=-0.132) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00932 USER MOD Single : A 20 MET CE :methyl -151:sc= 0 (180deg=-0.567) USER MOD Single : A 21 HIS : no HD1:sc= -0.054 X(o=-0.054,f=0) USER MOD Single : A 32 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.63) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1.05 K(o=1,f=-5.8!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc=-0.000152 X(o=-0.00015,f=-0.26) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.324 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0964 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.86) USER MOD Single : A 77 HIS : no HE2:sc= 0.445 K(o=0.44,f=-5.2!) USER MOD Single : A 83 TYR OH : rot -90:sc= -3.09! USER MOD Single : A 89 ASN : amide:sc= -0.0116 K(o=-0.012,f=-4!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -172:sc= 0 (180deg=-0.0943) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -33.542 1.996 -7.185 1.00 6.98 N ATOM 2 CA ASP A 1 -32.573 3.082 -7.382 1.00 6.54 C ATOM 3 C ASP A 1 -31.249 2.774 -6.695 1.00 5.59 C ATOM 4 O ASP A 1 -30.180 3.121 -7.198 1.00 5.69 O ATOM 5 CB ASP A 1 -33.125 4.421 -6.890 1.00 7.27 C ATOM 6 CG ASP A 1 -32.148 5.549 -7.083 1.00 7.61 C ATOM 7 OD1 ASP A 1 -31.544 6.011 -6.091 1.00 7.83 O ATOM 8 OD2 ASP A 1 -31.953 5.987 -8.236 1.00 7.93 O ATOM 0 H1 ASP A 1 -34.360 2.143 -7.811 1.00 6.98 H new ATOM 0 H2 ASP A 1 -33.093 1.085 -7.410 1.00 6.98 H new ATOM 0 H3 ASP A 1 -33.860 1.990 -6.195 1.00 6.98 H new ATOM 0 HA ASP A 1 -32.394 3.160 -8.454 1.00 6.54 H new ATOM 0 HB2 ASP A 1 -34.048 4.648 -7.423 1.00 7.27 H new ATOM 0 HB3 ASP A 1 -33.379 4.340 -5.833 1.00 7.27 H new ATOM 15 N ASP A 2 -31.307 2.113 -5.570 1.00 5.04 N ATOM 16 CA ASP A 2 -30.109 1.746 -4.838 1.00 4.46 C ATOM 17 C ASP A 2 -29.840 0.262 -4.998 1.00 3.67 C ATOM 18 O ASP A 2 -30.726 -0.565 -4.802 1.00 3.69 O ATOM 19 CB ASP A 2 -30.232 2.115 -3.343 1.00 5.12 C ATOM 20 CG ASP A 2 -31.420 1.466 -2.661 1.00 5.72 C ATOM 21 OD1 ASP A 2 -32.537 1.998 -2.736 1.00 6.17 O ATOM 22 OD2 ASP A 2 -31.232 0.409 -2.007 1.00 6.07 O ATOM 0 H ASP A 2 -32.177 1.812 -5.131 1.00 5.04 H new ATOM 0 HA ASP A 2 -29.270 2.307 -5.250 1.00 4.46 H new ATOM 0 HB2 ASP A 2 -29.319 1.819 -2.827 1.00 5.12 H new ATOM 0 HB3 ASP A 2 -30.315 3.198 -3.249 1.00 5.12 H new ATOM 27 N ASP A 3 -28.657 -0.070 -5.426 1.00 3.50 N ATOM 28 CA ASP A 3 -28.266 -1.477 -5.544 1.00 3.44 C ATOM 29 C ASP A 3 -27.249 -1.809 -4.466 1.00 2.86 C ATOM 30 O ASP A 3 -27.133 -2.952 -3.999 1.00 3.35 O ATOM 31 CB ASP A 3 -27.714 -1.777 -6.937 1.00 4.23 C ATOM 32 CG ASP A 3 -27.258 -3.208 -7.092 1.00 4.91 C ATOM 33 OD1 ASP A 3 -26.035 -3.456 -7.188 1.00 5.43 O ATOM 34 OD2 ASP A 3 -28.123 -4.114 -7.089 1.00 5.26 O ATOM 0 H ASP A 3 -27.937 0.598 -5.702 1.00 3.50 H new ATOM 0 HA ASP A 3 -29.146 -2.105 -5.404 1.00 3.44 H new ATOM 0 HB2 ASP A 3 -28.482 -1.563 -7.681 1.00 4.23 H new ATOM 0 HB3 ASP A 3 -26.877 -1.110 -7.142 1.00 4.23 H new ATOM 39 N ASP A 4 -26.526 -0.794 -4.073 1.00 2.36 N ATOM 40 CA ASP A 4 -25.586 -0.867 -2.990 1.00 2.24 C ATOM 41 C ASP A 4 -25.782 0.354 -2.126 1.00 1.92 C ATOM 42 O ASP A 4 -25.354 1.452 -2.455 1.00 2.04 O ATOM 43 CB ASP A 4 -24.098 -1.025 -3.461 1.00 2.71 C ATOM 44 CG ASP A 4 -23.547 0.117 -4.319 1.00 3.25 C ATOM 45 OD1 ASP A 4 -23.818 0.170 -5.551 1.00 3.54 O ATOM 46 OD2 ASP A 4 -22.842 0.994 -3.776 1.00 3.87 O ATOM 0 H ASP A 4 -26.577 0.127 -4.508 1.00 2.36 H new ATOM 0 HA ASP A 4 -25.781 -1.773 -2.416 1.00 2.24 H new ATOM 0 HB2 ASP A 4 -23.466 -1.129 -2.579 1.00 2.71 H new ATOM 0 HB3 ASP A 4 -24.012 -1.953 -4.026 1.00 2.71 H new ATOM 51 N ASP A 5 -26.515 0.182 -1.069 1.00 1.78 N ATOM 52 CA ASP A 5 -26.787 1.282 -0.152 1.00 1.68 C ATOM 53 C ASP A 5 -25.664 1.396 0.847 1.00 1.53 C ATOM 54 O ASP A 5 -25.378 2.473 1.375 1.00 1.50 O ATOM 55 CB ASP A 5 -28.128 1.087 0.567 1.00 1.90 C ATOM 56 CG ASP A 5 -28.415 2.193 1.564 1.00 2.14 C ATOM 57 OD1 ASP A 5 -28.285 1.965 2.782 1.00 2.55 O ATOM 58 OD2 ASP A 5 -28.759 3.314 1.150 1.00 2.43 O ATOM 0 H ASP A 5 -26.943 -0.706 -0.807 1.00 1.78 H new ATOM 0 HA ASP A 5 -26.853 2.205 -0.727 1.00 1.68 H new ATOM 0 HB2 ASP A 5 -28.930 1.049 -0.170 1.00 1.90 H new ATOM 0 HB3 ASP A 5 -28.124 0.127 1.084 1.00 1.90 H new ATOM 63 N VAL A 6 -25.015 0.274 1.076 1.00 1.54 N ATOM 64 CA VAL A 6 -23.901 0.184 1.983 1.00 1.49 C ATOM 65 C VAL A 6 -22.692 0.986 1.490 1.00 1.25 C ATOM 66 O VAL A 6 -21.954 0.575 0.584 1.00 1.34 O ATOM 67 CB VAL A 6 -23.514 -1.291 2.287 1.00 1.77 C ATOM 68 CG1 VAL A 6 -24.584 -1.951 3.102 1.00 2.08 C ATOM 69 CG2 VAL A 6 -23.265 -2.095 1.017 1.00 1.94 C ATOM 0 H VAL A 6 -25.253 -0.611 0.629 1.00 1.54 H new ATOM 0 HA VAL A 6 -24.228 0.634 2.921 1.00 1.49 H new ATOM 0 HB VAL A 6 -22.582 -1.268 2.852 1.00 1.77 H new ATOM 0 HG11 VAL A 6 -24.300 -2.983 3.308 1.00 2.08 H new ATOM 0 HG12 VAL A 6 -24.708 -1.414 4.043 1.00 2.08 H new ATOM 0 HG13 VAL A 6 -25.523 -1.936 2.549 1.00 2.08 H new ATOM 0 HG21 VAL A 6 -22.998 -3.118 1.281 1.00 1.94 H new ATOM 0 HG22 VAL A 6 -24.169 -2.101 0.407 1.00 1.94 H new ATOM 0 HG23 VAL A 6 -22.450 -1.641 0.453 1.00 1.94 H new ATOM 79 N SER A 7 -22.502 2.127 2.063 1.00 1.06 N ATOM 80 CA SER A 7 -21.411 2.947 1.678 1.00 0.91 C ATOM 81 C SER A 7 -20.373 2.908 2.782 1.00 0.81 C ATOM 82 O SER A 7 -20.480 3.591 3.803 1.00 0.91 O ATOM 83 CB SER A 7 -21.901 4.379 1.399 1.00 1.01 C ATOM 84 OG SER A 7 -20.876 5.216 0.859 1.00 1.58 O ATOM 0 H SER A 7 -23.092 2.511 2.801 1.00 1.06 H new ATOM 0 HA SER A 7 -20.958 2.580 0.757 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.739 4.343 0.703 1.00 1.01 H new ATOM 0 HB3 SER A 7 -22.273 4.818 2.324 1.00 1.01 H new ATOM 0 HG SER A 7 -21.237 6.113 0.698 1.00 1.58 H new ATOM 90 N PHE A 8 -19.389 2.079 2.590 1.00 0.75 N ATOM 91 CA PHE A 8 -18.309 1.966 3.518 1.00 0.70 C ATOM 92 C PHE A 8 -17.174 2.797 3.007 1.00 0.53 C ATOM 93 O PHE A 8 -16.721 2.609 1.876 1.00 0.54 O ATOM 94 CB PHE A 8 -17.877 0.508 3.688 1.00 0.85 C ATOM 95 CG PHE A 8 -18.949 -0.390 4.239 1.00 0.77 C ATOM 96 CD1 PHE A 8 -19.617 -1.270 3.415 1.00 0.88 C ATOM 97 CD2 PHE A 8 -19.283 -0.353 5.579 1.00 1.01 C ATOM 98 CE1 PHE A 8 -20.597 -2.101 3.911 1.00 0.85 C ATOM 99 CE2 PHE A 8 -20.263 -1.179 6.083 1.00 1.19 C ATOM 100 CZ PHE A 8 -20.921 -2.055 5.247 1.00 0.96 C ATOM 0 H PHE A 8 -19.315 1.461 1.782 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.626 2.321 4.499 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.555 0.121 2.721 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -17.012 0.472 4.350 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -19.368 -1.309 2.365 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -18.770 0.331 6.239 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -21.110 -2.787 3.253 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -20.516 -1.140 7.132 1.00 1.19 H new ATOM 0 HZ PHE A 8 -21.690 -2.704 5.640 1.00 0.96 H new ATOM 110 N CYS A 9 -16.724 3.694 3.814 1.00 0.49 N ATOM 111 CA CYS A 9 -15.695 4.619 3.433 1.00 0.44 C ATOM 112 C CYS A 9 -14.357 3.932 3.639 1.00 0.37 C ATOM 113 O CYS A 9 -14.312 2.820 4.163 1.00 0.40 O ATOM 114 CB CYS A 9 -15.829 5.843 4.316 1.00 0.62 C ATOM 115 SG CYS A 9 -17.577 6.326 4.582 1.00 1.32 S ATOM 0 H CYS A 9 -17.059 3.814 4.770 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.775 4.926 2.390 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.359 5.646 5.279 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.290 6.675 3.863 1.00 0.62 H new ATOM 120 N ALA A 10 -13.284 4.560 3.236 1.00 0.35 N ATOM 121 CA ALA A 10 -11.999 3.907 3.279 1.00 0.35 C ATOM 122 C ALA A 10 -11.241 4.241 4.530 1.00 0.29 C ATOM 123 O ALA A 10 -11.101 5.410 4.880 1.00 0.34 O ATOM 124 CB ALA A 10 -11.169 4.286 2.065 1.00 0.45 C ATOM 0 H ALA A 10 -13.271 5.515 2.877 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.186 2.833 3.274 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.203 3.784 2.114 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.691 3.981 1.158 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.017 5.365 2.051 1.00 0.45 H new ATOM 130 N SER A 11 -10.805 3.221 5.219 1.00 0.27 N ATOM 131 CA SER A 11 -9.903 3.372 6.330 1.00 0.27 C ATOM 132 C SER A 11 -8.624 2.631 5.979 1.00 0.23 C ATOM 133 O SER A 11 -8.677 1.553 5.363 1.00 0.25 O ATOM 134 CB SER A 11 -10.516 2.831 7.616 1.00 0.37 C ATOM 135 OG SER A 11 -11.724 3.506 7.908 1.00 1.19 O ATOM 0 H SER A 11 -11.067 2.255 5.024 1.00 0.27 H new ATOM 0 HA SER A 11 -9.695 4.427 6.507 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.704 1.762 7.515 1.00 0.37 H new ATOM 0 HB3 SER A 11 -9.814 2.954 8.441 1.00 0.37 H new ATOM 0 HG SER A 11 -12.107 3.147 8.735 1.00 1.19 H new ATOM 141 N VAL A 12 -7.495 3.188 6.332 1.00 0.23 N ATOM 142 CA VAL A 12 -6.232 2.619 5.938 1.00 0.22 C ATOM 143 C VAL A 12 -5.425 2.149 7.129 1.00 0.24 C ATOM 144 O VAL A 12 -5.129 2.916 8.046 1.00 0.29 O ATOM 145 CB VAL A 12 -5.389 3.614 5.081 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.035 3.043 4.761 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.086 3.909 3.782 1.00 0.27 C ATOM 0 H VAL A 12 -7.424 4.037 6.893 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.468 1.751 5.323 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.274 4.526 5.667 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.470 3.758 4.163 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.498 2.840 5.687 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.154 2.116 4.200 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.485 4.604 3.196 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.219 2.983 3.222 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.060 4.353 3.985 1.00 0.27 H new ATOM 157 N GLN A 13 -5.117 0.890 7.120 1.00 0.24 N ATOM 158 CA GLN A 13 -4.257 0.289 8.089 1.00 0.29 C ATOM 159 C GLN A 13 -2.947 -0.032 7.410 1.00 0.26 C ATOM 160 O GLN A 13 -2.937 -0.634 6.326 1.00 0.32 O ATOM 161 CB GLN A 13 -4.836 -1.017 8.613 1.00 0.40 C ATOM 162 CG GLN A 13 -6.130 -0.919 9.393 1.00 0.68 C ATOM 163 CD GLN A 13 -6.632 -2.297 9.795 1.00 1.43 C ATOM 164 OE1 GLN A 13 -5.846 -3.239 9.967 1.00 2.18 O ATOM 165 NE2 GLN A 13 -7.915 -2.436 9.959 1.00 2.06 N ATOM 0 H GLN A 13 -5.466 0.235 6.420 1.00 0.24 H new ATOM 0 HA GLN A 13 -4.135 0.980 8.923 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -4.999 -1.682 7.765 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.089 -1.490 9.250 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -5.976 -0.310 10.284 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.885 -0.415 8.789 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -8.537 -1.642 9.810 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -8.299 -3.339 10.237 1.00 2.06 H new ATOM 174 N LEU A 14 -1.877 0.355 8.013 1.00 0.28 N ATOM 175 CA LEU A 14 -0.563 0.057 7.513 1.00 0.25 C ATOM 176 C LEU A 14 0.206 -0.674 8.559 1.00 0.25 C ATOM 177 O LEU A 14 -0.126 -0.605 9.744 1.00 0.33 O ATOM 178 CB LEU A 14 0.180 1.311 7.024 1.00 0.24 C ATOM 179 CG LEU A 14 -0.193 1.793 5.618 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.431 3.123 5.336 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.312 0.813 4.591 1.00 0.25 C ATOM 0 H LEU A 14 -1.881 0.895 8.879 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.665 -0.581 6.635 1.00 0.25 H new ATOM 0 HB2 LEU A 14 -0.008 2.121 7.729 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.251 1.110 7.048 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.279 1.876 5.566 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.155 3.449 4.333 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.078 3.852 6.065 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.516 3.038 5.404 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.044 1.161 3.593 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.396 0.732 4.668 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.138 -0.164 4.768 1.00 0.25 H new ATOM 193 N HIS A 15 1.180 -1.413 8.146 1.00 0.21 N ATOM 194 CA HIS A 15 1.947 -2.201 9.059 1.00 0.24 C ATOM 195 C HIS A 15 3.401 -1.997 8.795 1.00 0.21 C ATOM 196 O HIS A 15 3.795 -1.682 7.669 1.00 0.22 O ATOM 197 CB HIS A 15 1.591 -3.697 8.948 1.00 0.34 C ATOM 198 CG HIS A 15 0.197 -4.044 9.382 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.122 -4.384 10.675 1.00 0.92 N ATOM 200 CD2 HIS A 15 -0.961 -4.109 8.682 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.410 -4.646 10.756 1.00 1.03 C ATOM 202 NE2 HIS A 15 -1.943 -4.487 9.561 1.00 0.83 N ATOM 0 H HIS A 15 1.468 -1.490 7.171 1.00 0.21 H new ATOM 0 HA HIS A 15 1.710 -1.879 10.073 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.724 -4.012 7.913 1.00 0.34 H new ATOM 0 HB3 HIS A 15 2.297 -4.270 9.549 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.087 -3.902 7.630 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -1.940 -4.941 11.650 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -2.927 -4.623 9.328 1.00 0.83 H new ATOM 211 N THR A 16 4.180 -2.142 9.844 1.00 0.26 N ATOM 212 CA THR A 16 5.601 -1.984 9.795 1.00 0.29 C ATOM 213 C THR A 16 6.203 -2.983 8.822 1.00 0.25 C ATOM 214 O THR A 16 5.848 -4.179 8.842 1.00 0.27 O ATOM 215 CB THR A 16 6.186 -2.225 11.189 1.00 0.38 C ATOM 216 OG1 THR A 16 5.435 -1.457 12.142 1.00 0.49 O ATOM 217 CG2 THR A 16 7.646 -1.793 11.238 1.00 0.47 C ATOM 0 H THR A 16 3.827 -2.378 10.771 1.00 0.26 H new ATOM 0 HA THR A 16 5.836 -0.973 9.463 1.00 0.29 H new ATOM 0 HB THR A 16 6.128 -3.288 11.423 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.799 -1.604 13.040 1.00 0.49 H new ATOM 0 HG21 THR A 16 8.045 -1.972 12.236 1.00 0.47 H new ATOM 0 HG22 THR A 16 8.220 -2.366 10.510 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.719 -0.731 11.003 1.00 0.47 H new ATOM 225 N ALA A 17 7.076 -2.475 7.967 1.00 0.28 N ATOM 226 CA ALA A 17 7.753 -3.263 6.974 1.00 0.30 C ATOM 227 C ALA A 17 8.548 -4.350 7.644 1.00 0.35 C ATOM 228 O ALA A 17 9.242 -4.099 8.637 1.00 0.40 O ATOM 229 CB ALA A 17 8.675 -2.385 6.148 1.00 0.37 C ATOM 0 H ALA A 17 7.332 -1.488 7.951 1.00 0.28 H new ATOM 0 HA ALA A 17 7.012 -3.714 6.314 1.00 0.30 H new ATOM 0 HB1 ALA A 17 9.182 -2.993 5.399 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.091 -1.610 5.651 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.415 -1.920 6.800 1.00 0.37 H new ATOM 235 N VAL A 18 8.459 -5.526 7.123 1.00 0.38 N ATOM 236 CA VAL A 18 9.151 -6.639 7.699 1.00 0.48 C ATOM 237 C VAL A 18 10.517 -6.779 7.057 1.00 0.56 C ATOM 238 O VAL A 18 10.647 -6.772 5.826 1.00 0.52 O ATOM 239 CB VAL A 18 8.326 -7.957 7.612 1.00 0.54 C ATOM 240 CG1 VAL A 18 7.059 -7.825 8.447 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.963 -8.298 6.168 1.00 0.52 C ATOM 0 H VAL A 18 7.910 -5.747 6.292 1.00 0.38 H new ATOM 0 HA VAL A 18 9.286 -6.444 8.763 1.00 0.48 H new ATOM 0 HB VAL A 18 8.942 -8.767 8.002 1.00 0.54 H new ATOM 0 HG11 VAL A 18 6.484 -8.749 8.384 1.00 0.57 H new ATOM 0 HG12 VAL A 18 7.326 -7.634 9.486 1.00 0.57 H new ATOM 0 HG13 VAL A 18 6.459 -6.997 8.069 1.00 0.57 H new ATOM 0 HG21 VAL A 18 7.388 -9.224 6.146 1.00 0.52 H new ATOM 0 HG22 VAL A 18 7.367 -7.491 5.742 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.875 -8.424 5.584 1.00 0.52 H new ATOM 251 N GLU A 19 11.520 -6.844 7.894 1.00 0.72 N ATOM 252 CA GLU A 19 12.885 -6.862 7.463 1.00 0.84 C ATOM 253 C GLU A 19 13.299 -8.217 6.952 1.00 0.84 C ATOM 254 O GLU A 19 13.392 -9.190 7.709 1.00 0.96 O ATOM 255 CB GLU A 19 13.817 -6.390 8.575 1.00 1.06 C ATOM 256 CG GLU A 19 13.549 -4.965 9.025 1.00 1.72 C ATOM 257 CD GLU A 19 14.544 -4.478 10.036 1.00 2.02 C ATOM 258 OE1 GLU A 19 14.316 -4.658 11.251 1.00 2.52 O ATOM 259 OE2 GLU A 19 15.582 -3.905 9.646 1.00 2.38 O ATOM 0 H GLU A 19 11.405 -6.886 8.907 1.00 0.72 H new ATOM 0 HA GLU A 19 12.967 -6.165 6.629 1.00 0.84 H new ATOM 0 HB2 GLU A 19 13.716 -7.058 9.431 1.00 1.06 H new ATOM 0 HB3 GLU A 19 14.848 -6.466 8.231 1.00 1.06 H new ATOM 0 HG2 GLU A 19 13.567 -4.305 8.157 1.00 1.72 H new ATOM 0 HG3 GLU A 19 12.547 -4.905 9.450 1.00 1.72 H new ATOM 266 N MET A 20 13.494 -8.262 5.678 1.00 0.79 N ATOM 267 CA MET A 20 13.974 -9.393 4.939 1.00 0.84 C ATOM 268 C MET A 20 14.285 -8.855 3.574 1.00 0.81 C ATOM 269 O MET A 20 13.815 -7.771 3.285 1.00 0.84 O ATOM 270 CB MET A 20 12.953 -10.568 4.890 1.00 0.88 C ATOM 271 CG MET A 20 11.592 -10.238 4.286 1.00 0.88 C ATOM 272 SD MET A 20 10.443 -11.645 4.350 1.00 0.88 S ATOM 273 CE MET A 20 8.994 -10.945 3.553 1.00 0.58 C ATOM 0 H MET A 20 13.311 -7.457 5.079 1.00 0.79 H new ATOM 0 HA MET A 20 14.850 -9.833 5.416 1.00 0.84 H new ATOM 0 HB2 MET A 20 13.395 -11.385 4.319 1.00 0.88 H new ATOM 0 HB3 MET A 20 12.800 -10.934 5.905 1.00 0.88 H new ATOM 0 HG2 MET A 20 11.157 -9.393 4.819 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.724 -9.927 3.250 1.00 0.88 H new ATOM 0 HE1 MET A 20 8.096 -11.424 3.944 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.950 -9.874 3.753 1.00 0.58 H new ATOM 0 HE3 MET A 20 9.054 -11.111 2.477 1.00 0.58 H new ATOM 283 N HIS A 21 15.062 -9.540 2.757 1.00 0.92 N ATOM 284 CA HIS A 21 15.502 -8.970 1.460 1.00 1.01 C ATOM 285 C HIS A 21 14.352 -8.524 0.576 1.00 0.82 C ATOM 286 O HIS A 21 14.446 -7.518 -0.131 1.00 0.95 O ATOM 287 CB HIS A 21 16.478 -9.888 0.720 1.00 1.24 C ATOM 288 CG HIS A 21 17.787 -10.030 1.431 1.00 1.65 C ATOM 289 ND1 HIS A 21 18.398 -11.232 1.678 1.00 2.31 N ATOM 290 CD2 HIS A 21 18.594 -9.093 1.960 1.00 2.19 C ATOM 291 CE1 HIS A 21 19.518 -11.024 2.335 1.00 2.75 C ATOM 292 NE2 HIS A 21 19.658 -9.734 2.516 1.00 2.66 N ATOM 0 H HIS A 21 15.407 -10.481 2.948 1.00 0.92 H new ATOM 0 HA HIS A 21 16.050 -8.062 1.712 1.00 1.01 H new ATOM 0 HB2 HIS A 21 16.025 -10.872 0.600 1.00 1.24 H new ATOM 0 HB3 HIS A 21 16.653 -9.494 -0.281 1.00 1.24 H new ATOM 0 HD2 HIS A 21 18.428 -8.026 1.946 1.00 2.19 H new ATOM 0 HE1 HIS A 21 20.206 -11.787 2.669 1.00 2.75 H new ATOM 0 HE2 HIS A 21 20.437 -9.284 2.996 1.00 2.66 H new ATOM 301 N HIS A 22 13.282 -9.264 0.611 1.00 0.67 N ATOM 302 CA HIS A 22 12.076 -8.865 -0.062 1.00 0.59 C ATOM 303 C HIS A 22 11.210 -8.173 0.963 1.00 0.49 C ATOM 304 O HIS A 22 10.523 -8.822 1.742 1.00 0.57 O ATOM 305 CB HIS A 22 11.339 -10.073 -0.675 1.00 0.76 C ATOM 306 CG HIS A 22 12.091 -10.765 -1.782 1.00 1.13 C ATOM 307 ND1 HIS A 22 11.582 -11.826 -2.483 1.00 1.52 N ATOM 308 CD2 HIS A 22 13.319 -10.534 -2.307 1.00 2.11 C ATOM 309 CE1 HIS A 22 12.452 -12.216 -3.383 1.00 2.06 C ATOM 310 NE2 HIS A 22 13.515 -11.449 -3.296 1.00 2.46 N ATOM 0 H HIS A 22 13.218 -10.155 1.103 1.00 0.67 H new ATOM 0 HA HIS A 22 12.311 -8.198 -0.892 1.00 0.59 H new ATOM 0 HB2 HIS A 22 11.132 -10.796 0.114 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.376 -9.738 -1.061 1.00 0.76 H new ATOM 0 HD2 HIS A 22 14.013 -9.767 -1.998 1.00 2.11 H new ATOM 0 HE1 HIS A 22 12.317 -13.031 -4.079 1.00 2.06 H new ATOM 0 HE2 HIS A 22 14.351 -11.526 -3.875 1.00 2.46 H new ATOM 319 N TRP A 23 11.234 -6.873 0.952 1.00 0.41 N ATOM 320 CA TRP A 23 10.569 -6.091 1.969 1.00 0.36 C ATOM 321 C TRP A 23 9.105 -5.981 1.663 1.00 0.32 C ATOM 322 O TRP A 23 8.713 -5.782 0.520 1.00 0.44 O ATOM 323 CB TRP A 23 11.181 -4.692 2.059 1.00 0.43 C ATOM 324 CG TRP A 23 12.596 -4.653 2.564 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.718 -5.057 1.908 1.00 0.52 C ATOM 326 CD2 TRP A 23 13.038 -4.136 3.823 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.825 -4.853 2.696 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.436 -4.288 3.870 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.387 -3.574 4.918 1.00 0.70 C ATOM 330 CZ2 TRP A 23 15.191 -3.892 4.964 1.00 0.73 C ATOM 331 CZ3 TRP A 23 13.135 -3.178 6.002 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.525 -3.341 6.018 1.00 0.86 C ATOM 0 H TRP A 23 11.713 -6.319 0.242 1.00 0.41 H new ATOM 0 HA TRP A 23 10.700 -6.595 2.927 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.150 -4.233 1.071 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.560 -4.081 2.714 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.736 -5.477 0.913 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.784 -5.088 2.441 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.314 -3.451 4.916 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 16.264 -4.015 4.980 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.642 -2.734 6.854 1.00 0.85 H new ATOM 0 HH2 TRP A 23 15.083 -3.023 6.886 1.00 0.86 H new ATOM 343 N CYS A 24 8.306 -6.121 2.674 1.00 0.27 N ATOM 344 CA CYS A 24 6.880 -6.095 2.516 1.00 0.25 C ATOM 345 C CYS A 24 6.260 -5.134 3.511 1.00 0.23 C ATOM 346 O CYS A 24 6.533 -5.220 4.723 1.00 0.25 O ATOM 347 CB CYS A 24 6.307 -7.519 2.711 1.00 0.28 C ATOM 348 SG CYS A 24 4.486 -7.667 2.557 1.00 0.30 S ATOM 0 H CYS A 24 8.621 -6.257 3.635 1.00 0.27 H new ATOM 0 HA CYS A 24 6.638 -5.752 1.510 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.771 -8.181 1.980 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.601 -7.878 3.697 1.00 0.28 H new ATOM 353 N ILE A 25 5.506 -4.180 2.996 1.00 0.20 N ATOM 354 CA ILE A 25 4.713 -3.283 3.813 1.00 0.19 C ATOM 355 C ILE A 25 3.244 -3.693 3.639 1.00 0.18 C ATOM 356 O ILE A 25 2.605 -3.324 2.644 1.00 0.18 O ATOM 357 CB ILE A 25 4.874 -1.785 3.392 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.346 -1.348 3.482 1.00 0.25 C ATOM 359 CG2 ILE A 25 3.996 -0.885 4.271 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.603 0.094 3.068 1.00 0.30 C ATOM 0 H ILE A 25 5.427 -4.006 1.994 1.00 0.20 H new ATOM 0 HA ILE A 25 5.049 -3.361 4.847 1.00 0.19 H new ATOM 0 HB ILE A 25 4.550 -1.685 2.356 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.691 -1.485 4.507 1.00 0.25 H new ATOM 0 HG13 ILE A 25 6.946 -2.006 2.853 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.119 0.154 3.965 1.00 0.22 H new ATOM 0 HG22 ILE A 25 2.951 -1.175 4.159 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.293 -0.994 5.314 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.666 0.316 3.163 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.293 0.236 2.033 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.034 0.764 3.712 1.00 0.30 H new ATOM 372 N PRO A 26 2.715 -4.516 4.549 1.00 0.20 N ATOM 373 CA PRO A 26 1.335 -4.999 4.470 1.00 0.21 C ATOM 374 C PRO A 26 0.324 -3.890 4.768 1.00 0.21 C ATOM 375 O PRO A 26 0.491 -3.119 5.734 1.00 0.23 O ATOM 376 CB PRO A 26 1.264 -6.090 5.559 1.00 0.25 C ATOM 377 CG PRO A 26 2.677 -6.333 5.974 1.00 0.28 C ATOM 378 CD PRO A 26 3.407 -5.052 5.725 1.00 0.24 C ATOM 0 HA PRO A 26 1.089 -5.362 3.472 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.658 -5.762 6.404 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.806 -7.001 5.173 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.732 -6.615 7.025 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.117 -7.150 5.402 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.342 -4.376 6.577 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.466 -5.220 5.531 1.00 0.24 H new ATOM 386 N PHE A 27 -0.712 -3.806 3.957 1.00 0.23 N ATOM 387 CA PHE A 27 -1.732 -2.806 4.158 1.00 0.25 C ATOM 388 C PHE A 27 -3.116 -3.425 4.144 1.00 0.25 C ATOM 389 O PHE A 27 -3.327 -4.516 3.583 1.00 0.30 O ATOM 390 CB PHE A 27 -1.638 -1.648 3.130 1.00 0.27 C ATOM 391 CG PHE A 27 -1.896 -2.003 1.682 1.00 0.28 C ATOM 392 CD1 PHE A 27 -3.188 -2.019 1.174 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.847 -2.288 0.828 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.424 -2.322 -0.147 1.00 0.34 C ATOM 395 CE2 PHE A 27 -1.079 -2.593 -0.498 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.369 -2.608 -0.987 1.00 0.37 C ATOM 0 H PHE A 27 -0.866 -4.418 3.156 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.556 -2.375 5.143 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.348 -0.875 3.423 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.642 -1.210 3.201 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -4.019 -1.790 1.825 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.166 -2.272 1.203 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.435 -2.336 -0.526 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.251 -2.820 -1.153 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.552 -2.843 -2.025 1.00 0.37 H new ATOM 406 N SER A 28 -4.036 -2.761 4.784 1.00 0.25 N ATOM 407 CA SER A 28 -5.415 -3.158 4.801 1.00 0.28 C ATOM 408 C SER A 28 -6.279 -1.904 4.655 1.00 0.24 C ATOM 409 O SER A 28 -6.215 -0.996 5.479 1.00 0.27 O ATOM 410 CB SER A 28 -5.750 -3.902 6.104 1.00 0.41 C ATOM 411 OG SER A 28 -4.877 -5.014 6.310 1.00 0.88 O ATOM 0 H SER A 28 -3.845 -1.913 5.318 1.00 0.25 H new ATOM 0 HA SER A 28 -5.614 -3.841 3.975 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.672 -3.215 6.947 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.783 -4.250 6.071 1.00 0.41 H new ATOM 0 HG SER A 28 -5.229 -5.798 5.838 1.00 0.88 H new ATOM 417 N VAL A 29 -7.029 -1.846 3.602 1.00 0.23 N ATOM 418 CA VAL A 29 -7.890 -0.724 3.316 1.00 0.21 C ATOM 419 C VAL A 29 -9.297 -1.248 3.096 1.00 0.21 C ATOM 420 O VAL A 29 -9.506 -2.124 2.281 1.00 0.27 O ATOM 421 CB VAL A 29 -7.366 0.101 2.079 1.00 0.22 C ATOM 422 CG1 VAL A 29 -7.058 -0.803 0.902 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.378 1.155 1.661 1.00 0.26 C ATOM 0 H VAL A 29 -7.067 -2.585 2.900 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.892 -0.033 4.159 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.445 0.595 2.388 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.699 -0.202 0.066 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.291 -1.523 1.187 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.962 -1.334 0.605 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.993 1.710 0.806 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.315 0.671 1.387 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.553 1.841 2.490 1.00 0.26 H new ATOM 433 N ASP A 30 -10.234 -0.772 3.842 1.00 0.27 N ATOM 434 CA ASP A 30 -11.577 -1.299 3.736 1.00 0.35 C ATOM 435 C ASP A 30 -12.495 -0.305 3.092 1.00 0.37 C ATOM 436 O ASP A 30 -12.219 0.896 3.090 1.00 0.48 O ATOM 437 CB ASP A 30 -12.129 -1.747 5.096 1.00 0.51 C ATOM 438 CG ASP A 30 -12.526 -0.615 6.008 1.00 0.80 C ATOM 439 OD1 ASP A 30 -11.693 0.246 6.312 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.677 -0.601 6.493 1.00 1.30 O ATOM 0 H ASP A 30 -10.111 -0.028 4.528 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.524 -2.183 3.100 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.997 -2.386 4.930 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.377 -2.355 5.598 1.00 0.51 H new ATOM 445 N GLY A 31 -13.555 -0.812 2.519 1.00 0.37 N ATOM 446 CA GLY A 31 -14.527 0.005 1.880 1.00 0.42 C ATOM 447 C GLY A 31 -15.105 -0.697 0.681 1.00 0.46 C ATOM 448 O GLY A 31 -14.420 -1.503 0.040 1.00 0.60 O ATOM 0 H GLY A 31 -13.760 -1.811 2.488 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -15.323 0.250 2.583 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -14.073 0.947 1.572 1.00 0.42 H new ATOM 452 N GLN A 32 -16.361 -0.442 0.404 1.00 0.55 N ATOM 453 CA GLN A 32 -17.006 -1.009 -0.770 1.00 0.64 C ATOM 454 C GLN A 32 -16.777 -0.143 -1.996 1.00 0.61 C ATOM 455 O GLN A 32 -16.397 -0.670 -3.037 1.00 0.68 O ATOM 456 CB GLN A 32 -18.480 -1.361 -0.543 1.00 0.76 C ATOM 457 CG GLN A 32 -18.678 -2.599 0.306 1.00 0.99 C ATOM 458 CD GLN A 32 -18.089 -3.847 -0.328 1.00 1.82 C ATOM 459 OE1 GLN A 32 -18.754 -4.553 -1.076 1.00 2.42 O ATOM 460 NE2 GLN A 32 -16.836 -4.122 -0.048 1.00 2.61 N ATOM 0 H GLN A 32 -16.963 0.154 0.972 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.524 -1.967 -0.964 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.978 -0.518 -0.064 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.963 -1.510 -1.509 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -18.219 -2.442 1.282 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -19.744 -2.751 0.475 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -16.308 -3.514 0.579 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -16.390 -4.943 -0.457 1.00 2.61 H new ATOM 469 N PRO A 33 -17.028 1.198 -1.936 1.00 0.59 N ATOM 470 CA PRO A 33 -16.574 2.074 -2.999 1.00 0.62 C ATOM 471 C PRO A 33 -15.050 2.002 -3.030 1.00 0.53 C ATOM 472 O PRO A 33 -14.379 2.301 -2.015 1.00 0.44 O ATOM 473 CB PRO A 33 -17.031 3.470 -2.550 1.00 0.67 C ATOM 474 CG PRO A 33 -18.135 3.216 -1.592 1.00 0.78 C ATOM 475 CD PRO A 33 -17.807 1.930 -0.920 1.00 0.63 C ATOM 0 HA PRO A 33 -16.956 1.820 -3.988 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.217 4.020 -2.079 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.371 4.067 -3.397 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -18.216 4.026 -0.867 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -19.093 3.153 -2.108 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.229 2.089 -0.009 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.707 1.385 -0.635 1.00 0.63 H new ATOM 483 N ALA A 34 -14.523 1.580 -4.151 1.00 0.62 N ATOM 484 CA ALA A 34 -13.108 1.346 -4.315 1.00 0.60 C ATOM 485 C ALA A 34 -12.313 2.634 -4.237 1.00 0.52 C ATOM 486 O ALA A 34 -12.505 3.535 -5.054 1.00 0.63 O ATOM 487 CB ALA A 34 -12.846 0.650 -5.641 1.00 0.78 C ATOM 0 H ALA A 34 -15.072 1.386 -4.989 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.780 0.705 -3.497 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.776 0.478 -5.756 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -13.372 -0.305 -5.661 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -13.202 1.277 -6.458 1.00 0.78 H new ATOM 493 N PRO A 35 -11.425 2.762 -3.248 1.00 0.39 N ATOM 494 CA PRO A 35 -10.585 3.927 -3.126 1.00 0.35 C ATOM 495 C PRO A 35 -9.326 3.803 -3.974 1.00 0.41 C ATOM 496 O PRO A 35 -8.784 2.701 -4.163 1.00 0.56 O ATOM 497 CB PRO A 35 -10.217 3.925 -1.646 1.00 0.29 C ATOM 498 CG PRO A 35 -10.141 2.484 -1.288 1.00 0.31 C ATOM 499 CD PRO A 35 -11.176 1.786 -2.149 1.00 0.37 C ATOM 0 HA PRO A 35 -11.081 4.838 -3.462 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.266 4.429 -1.472 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -10.967 4.444 -1.049 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.144 2.087 -1.477 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.349 2.333 -0.229 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.805 0.835 -2.532 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.086 1.571 -1.589 1.00 0.37 H new ATOM 507 N SER A 36 -8.882 4.904 -4.495 1.00 0.39 N ATOM 508 CA SER A 36 -7.653 4.934 -5.212 1.00 0.44 C ATOM 509 C SER A 36 -6.513 4.946 -4.199 1.00 0.37 C ATOM 510 O SER A 36 -6.464 5.820 -3.319 1.00 0.41 O ATOM 511 CB SER A 36 -7.616 6.161 -6.105 1.00 0.57 C ATOM 512 OG SER A 36 -8.740 6.174 -6.989 1.00 1.37 O ATOM 0 H SER A 36 -9.362 5.802 -4.434 1.00 0.39 H new ATOM 0 HA SER A 36 -7.552 4.057 -5.851 1.00 0.44 H new ATOM 0 HB2 SER A 36 -7.617 7.063 -5.493 1.00 0.57 H new ATOM 0 HB3 SER A 36 -6.692 6.169 -6.683 1.00 0.57 H new ATOM 0 HG SER A 36 -8.701 6.972 -7.556 1.00 1.37 H new ATOM 518 N LEU A 37 -5.668 3.940 -4.270 1.00 0.33 N ATOM 519 CA LEU A 37 -4.549 3.803 -3.362 1.00 0.30 C ATOM 520 C LEU A 37 -3.325 4.430 -3.962 1.00 0.32 C ATOM 521 O LEU A 37 -2.917 4.071 -5.075 1.00 0.50 O ATOM 522 CB LEU A 37 -4.260 2.331 -3.058 1.00 0.32 C ATOM 523 CG LEU A 37 -5.354 1.551 -2.334 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.944 0.102 -2.190 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.597 2.152 -0.968 1.00 0.27 C ATOM 0 H LEU A 37 -5.738 3.192 -4.960 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.809 4.308 -2.431 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -4.048 1.825 -4.000 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.352 2.280 -2.457 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.273 1.606 -2.917 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.729 -0.449 -1.672 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.787 -0.332 -3.178 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -4.019 0.041 -1.616 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.379 1.590 -0.457 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.678 2.109 -0.383 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.909 3.191 -1.078 1.00 0.27 H new ATOM 537 N ARG A 38 -2.757 5.355 -3.257 1.00 0.23 N ATOM 538 CA ARG A 38 -1.581 6.029 -3.706 1.00 0.23 C ATOM 539 C ARG A 38 -0.566 6.133 -2.597 1.00 0.22 C ATOM 540 O ARG A 38 -0.898 6.487 -1.465 1.00 0.26 O ATOM 541 CB ARG A 38 -1.946 7.410 -4.279 1.00 0.28 C ATOM 542 CG ARG A 38 -0.769 8.283 -4.720 1.00 0.33 C ATOM 543 CD ARG A 38 0.199 7.528 -5.627 1.00 1.28 C ATOM 544 NE ARG A 38 -0.465 6.823 -6.723 1.00 1.98 N ATOM 545 CZ ARG A 38 0.090 5.834 -7.441 1.00 3.10 C ATOM 546 NH1 ARG A 38 1.382 5.543 -7.312 1.00 3.72 N ATOM 547 NH2 ARG A 38 -0.638 5.174 -8.312 1.00 3.78 N ATOM 0 H ARG A 38 -3.098 5.666 -2.348 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.124 5.446 -4.506 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.606 7.264 -5.134 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.516 7.955 -3.526 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.146 9.161 -5.244 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.235 8.642 -3.840 1.00 0.33 H new ATOM 0 HD2 ARG A 38 0.921 8.231 -6.041 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.760 6.810 -5.030 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.417 7.103 -6.958 1.00 1.98 H new ATOM 0 HH11 ARG A 38 1.962 6.074 -6.662 1.00 3.72 H new ATOM 0 HH12 ARG A 38 1.792 4.789 -7.863 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -1.621 5.414 -8.441 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -0.220 4.422 -8.860 1.00 3.78 H new ATOM 561 N TRP A 39 0.652 5.778 -2.917 1.00 0.22 N ATOM 562 CA TRP A 39 1.745 5.884 -2.007 1.00 0.22 C ATOM 563 C TRP A 39 2.436 7.206 -2.204 1.00 0.20 C ATOM 564 O TRP A 39 2.666 7.650 -3.343 1.00 0.26 O ATOM 565 CB TRP A 39 2.757 4.769 -2.232 1.00 0.25 C ATOM 566 CG TRP A 39 2.206 3.403 -2.059 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.738 2.587 -3.038 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.066 2.684 -0.833 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.317 1.406 -2.505 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.505 1.436 -1.148 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.362 2.977 0.503 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.233 0.477 -0.180 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.094 2.024 1.463 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.533 0.788 1.118 1.00 0.26 C ATOM 0 H TRP A 39 0.908 5.403 -3.831 1.00 0.22 H new ATOM 0 HA TRP A 39 1.350 5.805 -0.994 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.163 4.860 -3.240 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.589 4.903 -1.540 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.704 2.838 -4.088 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.925 0.625 -3.031 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.791 3.930 0.776 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.801 -0.478 -0.442 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.320 2.234 2.498 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.333 0.064 1.894 1.00 0.26 H new ATOM 585 N LEU A 40 2.725 7.836 -1.133 1.00 0.25 N ATOM 586 CA LEU A 40 3.462 9.049 -1.140 1.00 0.24 C ATOM 587 C LEU A 40 4.783 8.735 -0.473 1.00 0.27 C ATOM 588 O LEU A 40 4.802 8.042 0.544 1.00 0.34 O ATOM 589 CB LEU A 40 2.710 10.117 -0.349 1.00 0.31 C ATOM 590 CG LEU A 40 3.175 11.554 -0.526 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.814 12.053 -1.910 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.569 12.437 0.539 1.00 0.95 C ATOM 0 H LEU A 40 2.452 7.521 -0.202 1.00 0.25 H new ATOM 0 HA LEU A 40 3.607 9.430 -2.151 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.656 10.064 -0.623 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.777 9.866 0.710 1.00 0.31 H new ATOM 0 HG LEU A 40 4.259 11.589 -0.420 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.152 13.083 -2.025 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.297 11.427 -2.660 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.733 12.009 -2.042 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.911 13.462 0.399 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.482 12.404 0.464 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.876 12.083 1.523 1.00 0.95 H new ATOM 604 N PHE A 41 5.852 9.178 -1.047 1.00 0.28 N ATOM 605 CA PHE A 41 7.159 8.906 -0.528 1.00 0.35 C ATOM 606 C PHE A 41 7.900 10.208 -0.319 1.00 0.38 C ATOM 607 O PHE A 41 8.215 10.910 -1.281 1.00 0.41 O ATOM 608 CB PHE A 41 7.924 7.976 -1.477 1.00 0.45 C ATOM 609 CG PHE A 41 9.308 7.640 -1.020 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.412 8.155 -1.675 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.502 6.819 0.072 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.681 7.854 -1.248 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.769 6.516 0.502 1.00 0.74 C ATOM 614 CZ PHE A 41 11.858 7.033 -0.157 1.00 0.86 C ATOM 0 H PHE A 41 5.847 9.743 -1.896 1.00 0.28 H new ATOM 0 HA PHE A 41 7.072 8.400 0.433 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.358 7.052 -1.597 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.981 8.445 -2.460 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.274 8.800 -2.530 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.648 6.411 0.593 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.538 8.260 -1.766 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.910 5.872 1.357 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.855 6.795 0.182 1.00 0.86 H new ATOM 624 N ASN A 42 8.129 10.542 0.940 1.00 0.46 N ATOM 625 CA ASN A 42 8.809 11.785 1.358 1.00 0.57 C ATOM 626 C ASN A 42 8.080 13.014 0.825 1.00 0.53 C ATOM 627 O ASN A 42 8.706 14.017 0.457 1.00 0.69 O ATOM 628 CB ASN A 42 10.299 11.826 0.918 1.00 0.73 C ATOM 629 CG ASN A 42 11.175 10.764 1.561 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.918 10.304 2.666 1.00 1.79 O ATOM 631 ND2 ASN A 42 12.240 10.398 0.896 1.00 1.72 N ATOM 0 H ASN A 42 7.847 9.955 1.725 1.00 0.46 H new ATOM 0 HA ASN A 42 8.785 11.796 2.448 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.348 11.713 -0.165 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.708 12.808 1.155 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.881 9.713 1.296 1.00 1.72 H new ATOM 0 HD22 ASN A 42 12.430 10.798 -0.023 1.00 1.72 H new ATOM 638 N GLY A 43 6.763 12.924 0.752 1.00 0.45 N ATOM 639 CA GLY A 43 5.957 14.018 0.244 1.00 0.51 C ATOM 640 C GLY A 43 5.900 14.058 -1.281 1.00 0.47 C ATOM 641 O GLY A 43 5.213 14.892 -1.860 1.00 0.61 O ATOM 0 H GLY A 43 6.230 12.103 1.039 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.944 13.930 0.638 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.361 14.961 0.612 1.00 0.51 H new ATOM 645 N SER A 44 6.590 13.150 -1.918 1.00 0.38 N ATOM 646 CA SER A 44 6.671 13.087 -3.353 1.00 0.40 C ATOM 647 C SER A 44 5.875 11.894 -3.833 1.00 0.33 C ATOM 648 O SER A 44 5.661 10.932 -3.089 1.00 0.28 O ATOM 649 CB SER A 44 8.152 12.970 -3.748 1.00 0.51 C ATOM 650 OG SER A 44 8.352 13.068 -5.152 1.00 1.37 O ATOM 0 H SER A 44 7.122 12.419 -1.445 1.00 0.38 H new ATOM 0 HA SER A 44 6.256 13.983 -3.815 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.721 13.754 -3.248 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.544 12.017 -3.394 1.00 0.51 H new ATOM 0 HG SER A 44 9.308 12.990 -5.352 1.00 1.37 H new ATOM 656 N VAL A 45 5.404 11.984 -5.043 1.00 0.41 N ATOM 657 CA VAL A 45 4.617 10.954 -5.654 1.00 0.41 C ATOM 658 C VAL A 45 5.462 9.722 -5.912 1.00 0.39 C ATOM 659 O VAL A 45 6.431 9.773 -6.682 1.00 0.45 O ATOM 660 CB VAL A 45 3.987 11.456 -6.982 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.349 10.331 -7.744 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.942 12.486 -6.698 1.00 0.70 C ATOM 0 H VAL A 45 5.560 12.793 -5.645 1.00 0.41 H new ATOM 0 HA VAL A 45 3.813 10.691 -4.967 1.00 0.41 H new ATOM 0 HB VAL A 45 4.790 11.884 -7.582 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.918 10.716 -8.668 1.00 0.68 H new ATOM 0 HG12 VAL A 45 4.102 9.579 -7.981 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.564 9.880 -7.137 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.507 12.831 -7.636 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.161 12.050 -6.075 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.395 13.329 -6.176 1.00 0.70 H new ATOM 672 N LEU A 46 5.131 8.646 -5.241 1.00 0.37 N ATOM 673 CA LEU A 46 5.806 7.406 -5.450 1.00 0.40 C ATOM 674 C LEU A 46 5.094 6.661 -6.546 1.00 0.44 C ATOM 675 O LEU A 46 3.876 6.437 -6.467 1.00 0.51 O ATOM 676 CB LEU A 46 5.835 6.560 -4.174 1.00 0.44 C ATOM 677 CG LEU A 46 6.560 5.207 -4.284 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.042 5.395 -4.587 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.368 4.389 -3.023 1.00 0.61 C ATOM 0 H LEU A 46 4.390 8.613 -4.541 1.00 0.37 H new ATOM 0 HA LEU A 46 6.840 7.606 -5.730 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.311 7.143 -3.385 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.808 6.376 -3.859 1.00 0.44 H new ATOM 0 HG LEU A 46 6.118 4.660 -5.117 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.525 4.421 -4.658 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.156 5.926 -5.532 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.506 5.973 -3.788 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.889 3.437 -3.124 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.771 4.935 -2.170 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.305 4.206 -2.867 1.00 0.61 H new ATOM 691 N ASN A 47 5.816 6.337 -7.570 1.00 0.54 N ATOM 692 CA ASN A 47 5.286 5.599 -8.678 1.00 0.59 C ATOM 693 C ASN A 47 5.897 4.212 -8.632 1.00 0.53 C ATOM 694 O ASN A 47 7.120 4.078 -8.480 1.00 0.64 O ATOM 695 CB ASN A 47 5.633 6.281 -10.015 1.00 0.79 C ATOM 696 CG ASN A 47 5.040 7.675 -10.164 1.00 1.54 C ATOM 697 OD1 ASN A 47 5.661 8.675 -9.789 1.00 2.47 O ATOM 698 ND2 ASN A 47 3.844 7.760 -10.713 1.00 1.94 N ATOM 0 H ASN A 47 6.802 6.579 -7.664 1.00 0.54 H new ATOM 0 HA ASN A 47 4.199 5.552 -8.608 1.00 0.59 H new ATOM 0 HB2 ASN A 47 6.717 6.345 -10.109 1.00 0.79 H new ATOM 0 HB3 ASN A 47 5.278 5.656 -10.834 1.00 0.79 H new ATOM 0 HD21 ASN A 47 3.404 8.672 -10.839 1.00 1.94 H new ATOM 0 HD22 ASN A 47 3.359 6.914 -11.012 1.00 1.94 H new ATOM 705 N GLU A 48 5.061 3.203 -8.717 1.00 0.49 N ATOM 706 CA GLU A 48 5.477 1.810 -8.613 1.00 0.53 C ATOM 707 C GLU A 48 6.370 1.409 -9.792 1.00 0.53 C ATOM 708 O GLU A 48 6.150 1.847 -10.931 1.00 0.70 O ATOM 709 CB GLU A 48 4.259 0.859 -8.564 1.00 0.69 C ATOM 710 CG GLU A 48 3.111 1.286 -7.641 1.00 0.74 C ATOM 711 CD GLU A 48 2.137 2.253 -8.306 1.00 1.12 C ATOM 712 OE1 GLU A 48 2.465 3.457 -8.416 1.00 1.56 O ATOM 713 OE2 GLU A 48 1.039 1.844 -8.709 1.00 1.74 O ATOM 0 H GLU A 48 4.058 3.321 -8.862 1.00 0.49 H new ATOM 0 HA GLU A 48 6.040 1.719 -7.684 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.866 0.752 -9.575 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.604 -0.126 -8.250 1.00 0.69 H new ATOM 0 HG2 GLU A 48 2.567 0.400 -7.313 1.00 0.74 H new ATOM 0 HG3 GLU A 48 3.525 1.754 -6.748 1.00 0.74 H new ATOM 720 N THR A 49 7.339 0.569 -9.527 1.00 0.53 N ATOM 721 CA THR A 49 8.275 0.108 -10.527 1.00 0.58 C ATOM 722 C THR A 49 8.287 -1.425 -10.532 1.00 0.60 C ATOM 723 O THR A 49 7.385 -2.046 -9.963 1.00 0.65 O ATOM 724 CB THR A 49 9.711 0.629 -10.228 1.00 0.71 C ATOM 725 OG1 THR A 49 10.120 0.214 -8.904 1.00 1.57 O ATOM 726 CG2 THR A 49 9.786 2.150 -10.340 1.00 0.98 C ATOM 0 H THR A 49 7.504 0.180 -8.599 1.00 0.53 H new ATOM 0 HA THR A 49 7.963 0.490 -11.499 1.00 0.58 H new ATOM 0 HB THR A 49 10.385 0.201 -10.970 1.00 0.71 H new ATOM 0 HG1 THR A 49 11.025 0.544 -8.723 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.802 2.481 -10.125 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.511 2.454 -11.350 1.00 0.98 H new ATOM 0 HG23 THR A 49 9.098 2.602 -9.625 1.00 0.98 H new ATOM 734 N SER A 50 9.264 -2.040 -11.157 1.00 0.68 N ATOM 735 CA SER A 50 9.376 -3.482 -11.103 1.00 0.78 C ATOM 736 C SER A 50 9.989 -3.926 -9.769 1.00 0.72 C ATOM 737 O SER A 50 9.793 -5.066 -9.326 1.00 0.86 O ATOM 738 CB SER A 50 10.209 -3.980 -12.268 1.00 0.96 C ATOM 739 OG SER A 50 9.651 -3.539 -13.505 1.00 1.52 O ATOM 0 H SER A 50 9.987 -1.572 -11.704 1.00 0.68 H new ATOM 0 HA SER A 50 8.378 -3.915 -11.176 1.00 0.78 H new ATOM 0 HB2 SER A 50 11.232 -3.616 -12.173 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.255 -5.069 -12.251 1.00 0.96 H new ATOM 0 HG SER A 50 10.201 -3.867 -14.247 1.00 1.52 H new ATOM 745 N PHE A 51 10.714 -3.021 -9.123 1.00 0.64 N ATOM 746 CA PHE A 51 11.339 -3.340 -7.858 1.00 0.68 C ATOM 747 C PHE A 51 10.380 -3.079 -6.715 1.00 0.55 C ATOM 748 O PHE A 51 10.299 -3.867 -5.773 1.00 0.61 O ATOM 749 CB PHE A 51 12.637 -2.545 -7.641 1.00 0.87 C ATOM 750 CG PHE A 51 13.740 -2.809 -8.643 1.00 1.08 C ATOM 751 CD1 PHE A 51 13.916 -4.077 -9.168 1.00 1.39 C ATOM 752 CD2 PHE A 51 14.588 -1.796 -9.066 1.00 1.16 C ATOM 753 CE1 PHE A 51 14.909 -4.330 -10.094 1.00 1.59 C ATOM 754 CE2 PHE A 51 15.584 -2.046 -9.990 1.00 1.37 C ATOM 755 CZ PHE A 51 15.788 -3.277 -10.465 1.00 1.52 C ATOM 0 H PHE A 51 10.879 -2.071 -9.455 1.00 0.64 H new ATOM 0 HA PHE A 51 11.596 -4.399 -7.883 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.399 -1.482 -7.662 1.00 0.87 H new ATOM 0 HB3 PHE A 51 13.016 -2.767 -6.643 1.00 0.87 H new ATOM 0 HD1 PHE A 51 13.268 -4.880 -8.849 1.00 1.39 H new ATOM 0 HD2 PHE A 51 14.468 -0.799 -8.668 1.00 1.16 H new ATOM 0 HE1 PHE A 51 15.016 -5.313 -10.529 1.00 1.59 H new ATOM 0 HE2 PHE A 51 16.207 -1.233 -10.333 1.00 1.37 H new ATOM 0 HZ PHE A 51 16.618 -3.472 -11.128 1.00 1.52 H new ATOM 765 N ILE A 52 9.646 -1.988 -6.816 1.00 0.46 N ATOM 766 CA ILE A 52 8.700 -1.579 -5.786 1.00 0.39 C ATOM 767 C ILE A 52 7.300 -1.709 -6.366 1.00 0.37 C ATOM 768 O ILE A 52 6.914 -0.901 -7.208 1.00 0.43 O ATOM 769 CB ILE A 52 8.927 -0.080 -5.419 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.416 0.196 -5.173 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.109 0.312 -4.184 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.730 1.643 -4.886 1.00 0.50 C ATOM 0 H ILE A 52 9.686 -1.356 -7.615 1.00 0.46 H new ATOM 0 HA ILE A 52 8.831 -2.198 -4.898 1.00 0.39 H new ATOM 0 HB ILE A 52 8.592 0.525 -6.261 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.754 -0.412 -4.334 1.00 0.46 H new ATOM 0 HG13 ILE A 52 10.984 -0.122 -6.047 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.285 1.362 -3.949 1.00 0.41 H new ATOM 0 HG22 ILE A 52 7.049 0.158 -4.386 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.410 -0.305 -3.337 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.802 1.757 -4.723 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.424 2.257 -5.733 1.00 0.50 H new ATOM 0 HD13 ILE A 52 10.191 1.962 -3.994 1.00 0.50 H new ATOM 784 N PHE A 53 6.549 -2.703 -5.946 1.00 0.33 N ATOM 785 CA PHE A 53 5.230 -2.925 -6.520 1.00 0.37 C ATOM 786 C PHE A 53 4.140 -3.106 -5.468 1.00 0.31 C ATOM 787 O PHE A 53 4.352 -3.735 -4.424 1.00 0.29 O ATOM 788 CB PHE A 53 5.251 -4.100 -7.528 1.00 0.48 C ATOM 789 CG PHE A 53 5.836 -5.394 -7.004 1.00 1.06 C ATOM 790 CD1 PHE A 53 7.184 -5.681 -7.154 1.00 1.95 C ATOM 791 CD2 PHE A 53 5.030 -6.314 -6.350 1.00 1.15 C ATOM 792 CE1 PHE A 53 7.714 -6.860 -6.664 1.00 2.87 C ATOM 793 CE2 PHE A 53 5.553 -7.490 -5.861 1.00 2.02 C ATOM 794 CZ PHE A 53 6.928 -7.773 -6.070 1.00 2.89 C ATOM 0 H PHE A 53 6.819 -3.365 -5.219 1.00 0.33 H new ATOM 0 HA PHE A 53 4.972 -2.016 -7.063 1.00 0.37 H new ATOM 0 HB2 PHE A 53 4.230 -4.290 -7.860 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.819 -3.793 -8.406 1.00 0.48 H new ATOM 0 HD1 PHE A 53 7.827 -4.976 -7.659 1.00 1.95 H new ATOM 0 HD2 PHE A 53 3.978 -6.105 -6.223 1.00 1.15 H new ATOM 0 HE1 PHE A 53 8.773 -7.049 -6.760 1.00 2.87 H new ATOM 0 HE2 PHE A 53 4.926 -8.187 -5.326 1.00 2.02 H new ATOM 0 HZ PHE A 53 7.341 -8.719 -5.753 1.00 2.89 H new ATOM 804 N THR A 54 2.992 -2.517 -5.740 1.00 0.35 N ATOM 805 CA THR A 54 1.838 -2.616 -4.877 1.00 0.35 C ATOM 806 C THR A 54 1.062 -3.899 -5.195 1.00 0.35 C ATOM 807 O THR A 54 0.617 -4.109 -6.339 1.00 0.40 O ATOM 808 CB THR A 54 0.897 -1.405 -5.092 1.00 0.39 C ATOM 809 OG1 THR A 54 1.644 -0.194 -4.978 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.225 -1.392 -4.058 1.00 0.44 C ATOM 0 H THR A 54 2.836 -1.952 -6.575 1.00 0.35 H new ATOM 0 HA THR A 54 2.183 -2.631 -3.843 1.00 0.35 H new ATOM 0 HB THR A 54 0.458 -1.488 -6.086 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.048 0.572 -5.116 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.871 -0.531 -4.232 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.810 -2.308 -4.144 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.203 -1.328 -3.058 1.00 0.44 H new ATOM 818 N GLU A 55 0.932 -4.755 -4.221 1.00 0.36 N ATOM 819 CA GLU A 55 0.184 -5.963 -4.382 1.00 0.42 C ATOM 820 C GLU A 55 -1.232 -5.769 -3.919 1.00 0.44 C ATOM 821 O GLU A 55 -1.472 -5.312 -2.802 1.00 0.57 O ATOM 822 CB GLU A 55 0.787 -7.107 -3.596 1.00 0.60 C ATOM 823 CG GLU A 55 2.202 -7.440 -3.957 1.00 1.21 C ATOM 824 CD GLU A 55 2.648 -8.673 -3.256 1.00 1.38 C ATOM 825 OE1 GLU A 55 2.647 -9.751 -3.867 1.00 1.67 O ATOM 826 OE2 GLU A 55 3.021 -8.582 -2.076 1.00 2.04 O ATOM 0 H GLU A 55 1.342 -4.632 -3.295 1.00 0.36 H new ATOM 0 HA GLU A 55 0.208 -6.209 -5.444 1.00 0.42 H new ATOM 0 HB2 GLU A 55 0.746 -6.862 -2.535 1.00 0.60 H new ATOM 0 HB3 GLU A 55 0.171 -7.994 -3.742 1.00 0.60 H new ATOM 0 HG2 GLU A 55 2.284 -7.579 -5.035 1.00 1.21 H new ATOM 0 HG3 GLU A 55 2.855 -6.609 -3.692 1.00 1.21 H new ATOM 833 N PHE A 56 -2.149 -6.076 -4.781 1.00 0.52 N ATOM 834 CA PHE A 56 -3.550 -6.093 -4.460 1.00 0.62 C ATOM 835 C PHE A 56 -3.958 -7.545 -4.388 1.00 0.73 C ATOM 836 O PHE A 56 -4.028 -8.219 -5.425 1.00 0.87 O ATOM 837 CB PHE A 56 -4.372 -5.390 -5.559 1.00 0.68 C ATOM 838 CG PHE A 56 -4.143 -3.907 -5.686 1.00 0.63 C ATOM 839 CD1 PHE A 56 -5.052 -3.015 -5.149 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.030 -3.404 -6.348 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.861 -1.655 -5.261 1.00 0.69 C ATOM 842 CE2 PHE A 56 -2.833 -2.042 -6.464 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.751 -1.165 -5.919 1.00 0.61 C ATOM 0 H PHE A 56 -1.946 -6.328 -5.748 1.00 0.52 H new ATOM 0 HA PHE A 56 -3.731 -5.571 -3.521 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -4.144 -5.859 -6.516 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -5.430 -5.562 -5.364 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -5.925 -3.389 -4.634 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.311 -4.086 -6.777 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -5.580 -0.972 -4.834 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -1.963 -1.663 -6.980 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.601 -0.099 -6.008 1.00 0.61 H new ATOM 853 N LEU A 57 -4.187 -8.055 -3.206 1.00 0.77 N ATOM 854 CA LEU A 57 -4.532 -9.450 -3.092 1.00 0.93 C ATOM 855 C LEU A 57 -6.037 -9.582 -3.054 1.00 1.04 C ATOM 856 O LEU A 57 -6.743 -8.622 -2.711 1.00 1.04 O ATOM 857 CB LEU A 57 -3.802 -10.137 -1.890 1.00 1.01 C ATOM 858 CG LEU A 57 -4.198 -9.798 -0.441 1.00 0.99 C ATOM 859 CD1 LEU A 57 -5.473 -10.530 -0.025 1.00 1.25 C ATOM 860 CD2 LEU A 57 -3.058 -10.139 0.509 1.00 1.16 C ATOM 0 H LEU A 57 -4.143 -7.540 -2.326 1.00 0.77 H new ATOM 0 HA LEU A 57 -4.176 -9.992 -3.968 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -3.921 -11.213 -2.013 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -2.739 -9.920 -1.992 1.00 1.01 H new ATOM 0 HG LEU A 57 -4.397 -8.728 -0.389 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -5.724 -10.268 1.003 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -6.291 -10.239 -0.684 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -5.315 -11.606 -0.097 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -3.350 -9.895 1.530 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -2.833 -11.203 0.440 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -2.173 -9.563 0.237 1.00 1.16 H new ATOM 872 N GLU A 58 -6.517 -10.725 -3.462 1.00 1.18 N ATOM 873 CA GLU A 58 -7.935 -11.012 -3.547 1.00 1.31 C ATOM 874 C GLU A 58 -8.567 -11.138 -2.161 1.00 1.24 C ATOM 875 O GLU A 58 -8.237 -12.059 -1.408 1.00 1.32 O ATOM 876 CB GLU A 58 -8.138 -12.297 -4.338 1.00 1.61 C ATOM 877 CG GLU A 58 -7.670 -12.204 -5.780 1.00 2.01 C ATOM 878 CD GLU A 58 -8.471 -11.214 -6.599 1.00 2.65 C ATOM 879 OE1 GLU A 58 -8.192 -10.005 -6.521 1.00 3.36 O ATOM 880 OE2 GLU A 58 -9.394 -11.626 -7.335 1.00 2.90 O ATOM 0 H GLU A 58 -5.926 -11.504 -3.752 1.00 1.18 H new ATOM 0 HA GLU A 58 -8.427 -10.182 -4.055 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -7.603 -13.107 -3.843 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -9.196 -12.559 -4.324 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -6.619 -11.915 -5.797 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -7.738 -13.189 -6.242 1.00 2.01 H new ATOM 887 N PRO A 59 -9.454 -10.204 -1.789 1.00 1.21 N ATOM 888 CA PRO A 59 -10.143 -10.238 -0.503 1.00 1.25 C ATOM 889 C PRO A 59 -11.294 -11.236 -0.539 1.00 1.26 C ATOM 890 O PRO A 59 -11.749 -11.645 -1.622 1.00 1.35 O ATOM 891 CB PRO A 59 -10.712 -8.807 -0.357 1.00 1.37 C ATOM 892 CG PRO A 59 -10.202 -8.035 -1.532 1.00 1.39 C ATOM 893 CD PRO A 59 -9.872 -9.040 -2.583 1.00 1.30 C ATOM 0 HA PRO A 59 -9.486 -10.534 0.315 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -11.802 -8.821 -0.343 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -10.387 -8.352 0.579 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -10.953 -7.331 -1.890 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -9.322 -7.452 -1.262 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -10.732 -9.266 -3.213 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -9.077 -8.692 -3.242 1.00 1.30 H new ATOM 901 N ALA A 60 -11.744 -11.645 0.615 1.00 1.29 N ATOM 902 CA ALA A 60 -12.874 -12.525 0.714 1.00 1.40 C ATOM 903 C ALA A 60 -14.123 -11.693 0.526 1.00 1.40 C ATOM 904 O ALA A 60 -14.200 -10.573 1.006 1.00 1.33 O ATOM 905 CB ALA A 60 -12.888 -13.210 2.071 1.00 1.53 C ATOM 0 H ALA A 60 -11.338 -11.378 1.512 1.00 1.29 H new ATOM 0 HA ALA A 60 -12.822 -13.302 -0.049 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -13.750 -13.875 2.134 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -11.973 -13.789 2.196 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.952 -12.458 2.858 1.00 1.53 H new ATOM 911 N ALA A 61 -15.102 -12.244 -0.155 1.00 1.55 N ATOM 912 CA ALA A 61 -16.338 -11.535 -0.497 1.00 1.65 C ATOM 913 C ALA A 61 -17.187 -11.232 0.730 1.00 1.59 C ATOM 914 O ALA A 61 -18.207 -10.548 0.641 1.00 1.70 O ATOM 915 CB ALA A 61 -17.141 -12.340 -1.509 1.00 1.91 C ATOM 0 H ALA A 61 -15.073 -13.205 -0.495 1.00 1.55 H new ATOM 0 HA ALA A 61 -16.054 -10.579 -0.937 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -18.057 -11.804 -1.756 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -16.549 -12.482 -2.413 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -17.393 -13.312 -1.084 1.00 1.91 H new ATOM 921 N ASN A 62 -16.770 -11.744 1.861 1.00 1.52 N ATOM 922 CA ASN A 62 -17.472 -11.530 3.105 1.00 1.56 C ATOM 923 C ASN A 62 -16.751 -10.508 3.981 1.00 1.33 C ATOM 924 O ASN A 62 -17.217 -10.172 5.079 1.00 1.40 O ATOM 925 CB ASN A 62 -17.692 -12.854 3.858 1.00 1.82 C ATOM 926 CG ASN A 62 -18.650 -13.795 3.145 1.00 2.72 C ATOM 927 OD1 ASN A 62 -19.849 -13.734 3.342 1.00 3.49 O ATOM 928 ND2 ASN A 62 -18.135 -14.674 2.322 1.00 3.19 N ATOM 0 H ASN A 62 -15.934 -12.322 1.947 1.00 1.52 H new ATOM 0 HA ASN A 62 -18.453 -11.122 2.862 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -16.732 -13.354 3.990 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -18.078 -12.638 4.854 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -18.743 -15.328 1.829 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -17.126 -14.704 2.174 1.00 3.19 H new ATOM 935 N GLU A 63 -15.626 -9.996 3.504 1.00 1.20 N ATOM 936 CA GLU A 63 -14.897 -8.987 4.238 1.00 1.07 C ATOM 937 C GLU A 63 -14.928 -7.706 3.418 1.00 0.90 C ATOM 938 O GLU A 63 -14.939 -7.749 2.185 1.00 0.97 O ATOM 939 CB GLU A 63 -13.437 -9.426 4.541 1.00 1.16 C ATOM 940 CG GLU A 63 -12.478 -9.414 3.352 1.00 1.31 C ATOM 941 CD GLU A 63 -11.107 -9.955 3.687 1.00 1.42 C ATOM 942 OE1 GLU A 63 -10.474 -9.452 4.636 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.607 -10.877 2.989 1.00 1.89 O ATOM 0 H GLU A 63 -15.204 -10.265 2.615 1.00 1.20 H new ATOM 0 HA GLU A 63 -15.369 -8.829 5.208 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -13.034 -8.772 5.315 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -13.459 -10.434 4.955 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.906 -10.004 2.542 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -12.379 -8.393 2.984 1.00 1.31 H new ATOM 950 N THR A 64 -14.969 -6.582 4.079 1.00 0.80 N ATOM 951 CA THR A 64 -15.038 -5.309 3.392 1.00 0.74 C ATOM 952 C THR A 64 -13.615 -4.750 3.222 1.00 0.59 C ATOM 953 O THR A 64 -13.409 -3.660 2.675 1.00 0.61 O ATOM 954 CB THR A 64 -15.891 -4.306 4.222 1.00 0.90 C ATOM 955 OG1 THR A 64 -17.049 -4.980 4.740 1.00 1.30 O ATOM 956 CG2 THR A 64 -16.370 -3.150 3.359 1.00 1.15 C ATOM 0 H THR A 64 -14.956 -6.515 5.097 1.00 0.80 H new ATOM 0 HA THR A 64 -15.500 -5.449 2.415 1.00 0.74 H new ATOM 0 HB THR A 64 -15.267 -3.921 5.028 1.00 0.90 H new ATOM 0 HG1 THR A 64 -17.587 -4.350 5.264 1.00 1.30 H new ATOM 0 HG21 THR A 64 -16.963 -2.465 3.965 1.00 1.15 H new ATOM 0 HG22 THR A 64 -15.510 -2.620 2.950 1.00 1.15 H new ATOM 0 HG23 THR A 64 -16.981 -3.534 2.542 1.00 1.15 H new ATOM 964 N VAL A 65 -12.641 -5.527 3.657 1.00 0.53 N ATOM 965 CA VAL A 65 -11.277 -5.083 3.684 1.00 0.45 C ATOM 966 C VAL A 65 -10.489 -5.617 2.493 1.00 0.42 C ATOM 967 O VAL A 65 -10.475 -6.813 2.221 1.00 0.49 O ATOM 968 CB VAL A 65 -10.555 -5.519 4.986 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.208 -4.845 5.106 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.408 -5.257 6.215 1.00 0.61 C ATOM 0 H VAL A 65 -12.781 -6.478 3.998 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.313 -3.995 3.639 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.393 -6.595 4.927 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.721 -5.166 6.027 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.587 -5.118 4.253 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.343 -3.764 5.125 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.868 -5.575 7.107 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.628 -4.192 6.285 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.341 -5.816 6.136 1.00 0.61 H new ATOM 980 N ARG A 66 -9.828 -4.727 1.819 1.00 0.37 N ATOM 981 CA ARG A 66 -8.953 -5.043 0.725 1.00 0.36 C ATOM 982 C ARG A 66 -7.555 -5.149 1.318 1.00 0.34 C ATOM 983 O ARG A 66 -7.165 -4.317 2.148 1.00 0.41 O ATOM 984 CB ARG A 66 -9.012 -3.920 -0.317 1.00 0.42 C ATOM 985 CG ARG A 66 -8.134 -4.124 -1.540 1.00 1.13 C ATOM 986 CD ARG A 66 -8.163 -2.899 -2.452 1.00 1.10 C ATOM 987 NE ARG A 66 -9.519 -2.570 -2.923 1.00 0.82 N ATOM 988 CZ ARG A 66 -9.862 -2.307 -4.199 1.00 1.15 C ATOM 989 NH1 ARG A 66 -8.979 -2.457 -5.190 1.00 1.61 N ATOM 990 NH2 ARG A 66 -11.105 -1.957 -4.482 1.00 1.84 N ATOM 0 H ARG A 66 -9.882 -3.728 2.019 1.00 0.37 H new ATOM 0 HA ARG A 66 -9.237 -5.971 0.229 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -10.045 -3.806 -0.646 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -8.726 -2.985 0.164 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -7.109 -4.323 -1.226 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -8.474 -5.000 -2.093 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -7.752 -2.043 -1.917 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -7.518 -3.077 -3.312 1.00 1.10 H new ATOM 0 HE ARG A 66 -10.261 -2.539 -2.224 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -8.032 -2.774 -4.985 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -9.252 -2.254 -6.152 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -11.798 -1.887 -3.736 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -11.371 -1.756 -5.446 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.818 -6.158 0.950 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.510 -6.382 1.555 1.00 0.39 C ATOM 1006 C HIS A 67 -4.441 -6.368 0.502 1.00 0.35 C ATOM 1007 O HIS A 67 -4.733 -6.528 -0.690 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.459 -7.734 2.282 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.402 -7.898 3.429 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.002 -7.910 4.741 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.738 -8.101 3.446 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.052 -8.112 5.516 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.116 -8.230 4.743 1.00 0.90 N ATOM 0 H HIS A 67 -7.086 -6.841 0.241 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.341 -5.580 2.274 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.661 -8.522 1.556 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.444 -7.889 2.647 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.387 -8.151 2.584 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -7.042 -8.171 6.594 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.069 -8.392 5.068 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.219 -6.188 0.921 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.131 -6.212 0.011 1.00 0.31 C ATOM 1024 C GLY A 68 -0.837 -5.919 0.702 1.00 0.24 C ATOM 1025 O GLY A 68 -0.766 -5.938 1.939 1.00 0.26 O ATOM 0 H GLY A 68 -2.961 -6.023 1.894 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.077 -7.190 -0.468 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.298 -5.479 -0.778 1.00 0.31 H new ATOM 1029 N CYS A 69 0.162 -5.628 -0.070 1.00 0.21 N ATOM 1030 CA CYS A 69 1.478 -5.335 0.430 1.00 0.20 C ATOM 1031 C CYS A 69 2.227 -4.497 -0.581 1.00 0.19 C ATOM 1032 O CYS A 69 2.032 -4.660 -1.777 1.00 0.22 O ATOM 1033 CB CYS A 69 2.263 -6.642 0.694 1.00 0.25 C ATOM 1034 SG CYS A 69 4.038 -6.384 1.059 1.00 0.36 S ATOM 0 H CYS A 69 0.089 -5.585 -1.087 1.00 0.21 H new ATOM 0 HA CYS A 69 1.381 -4.787 1.367 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.803 -7.167 1.531 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.172 -7.290 -0.177 1.00 0.25 H new ATOM 1039 N LEU A 70 2.997 -3.554 -0.119 1.00 0.20 N ATOM 1040 CA LEU A 70 3.917 -2.872 -0.984 1.00 0.22 C ATOM 1041 C LEU A 70 5.191 -3.664 -0.883 1.00 0.23 C ATOM 1042 O LEU A 70 5.906 -3.575 0.130 1.00 0.24 O ATOM 1043 CB LEU A 70 4.161 -1.429 -0.540 1.00 0.24 C ATOM 1044 CG LEU A 70 5.058 -0.590 -1.459 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.424 -0.406 -2.822 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.359 0.754 -0.838 1.00 0.28 C ATOM 0 H LEU A 70 3.006 -3.240 0.851 1.00 0.20 H new ATOM 0 HA LEU A 70 3.530 -2.810 -2.001 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.197 -0.929 -0.449 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.606 -1.445 0.455 1.00 0.24 H new ATOM 0 HG LEU A 70 5.995 -1.131 -1.587 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.082 0.192 -3.452 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.267 -1.380 -3.285 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.466 0.102 -2.712 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.996 1.330 -1.509 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.427 1.294 -0.670 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.871 0.609 0.113 1.00 0.28 H new ATOM 1058 N ARG A 71 5.442 -4.482 -1.856 1.00 0.30 N ATOM 1059 CA ARG A 71 6.551 -5.375 -1.775 1.00 0.35 C ATOM 1060 C ARG A 71 7.691 -4.882 -2.622 1.00 0.36 C ATOM 1061 O ARG A 71 7.512 -4.534 -3.797 1.00 0.42 O ATOM 1062 CB ARG A 71 6.152 -6.793 -2.190 1.00 0.51 C ATOM 1063 CG ARG A 71 7.206 -7.842 -1.858 1.00 1.20 C ATOM 1064 CD ARG A 71 6.818 -9.226 -2.352 1.00 1.20 C ATOM 1065 NE ARG A 71 5.494 -9.640 -1.888 1.00 1.43 N ATOM 1066 CZ ARG A 71 5.157 -10.842 -1.411 1.00 1.80 C ATOM 1067 NH1 ARG A 71 6.080 -11.787 -1.184 1.00 1.98 N ATOM 1068 NH2 ARG A 71 3.882 -11.083 -1.163 1.00 2.68 N ATOM 0 H ARG A 71 4.894 -4.549 -2.714 1.00 0.30 H new ATOM 0 HA ARG A 71 6.878 -5.407 -0.736 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.218 -7.059 -1.695 1.00 0.51 H new ATOM 0 HB3 ARG A 71 5.960 -6.809 -3.263 1.00 0.51 H new ATOM 0 HG2 ARG A 71 8.157 -7.552 -2.305 1.00 1.20 H new ATOM 0 HG3 ARG A 71 7.357 -7.873 -0.779 1.00 1.20 H new ATOM 0 HD2 ARG A 71 6.836 -9.237 -3.442 1.00 1.20 H new ATOM 0 HD3 ARG A 71 7.560 -9.949 -2.014 1.00 1.20 H new ATOM 0 HE ARG A 71 4.753 -8.940 -1.933 1.00 1.43 H new ATOM 0 HH11 ARG A 71 7.063 -11.596 -1.376 1.00 1.98 H new ATOM 0 HH12 ARG A 71 5.799 -12.697 -0.820 1.00 1.98 H new ATOM 0 HH21 ARG A 71 3.183 -10.360 -1.336 1.00 2.68 H new ATOM 0 HH22 ARG A 71 3.596 -11.992 -0.798 1.00 2.68 H new ATOM 1082 N LEU A 72 8.842 -4.821 -2.025 1.00 0.37 N ATOM 1083 CA LEU A 72 10.026 -4.445 -2.715 1.00 0.42 C ATOM 1084 C LEU A 72 10.897 -5.662 -2.873 1.00 0.44 C ATOM 1085 O LEU A 72 11.426 -6.205 -1.902 1.00 0.49 O ATOM 1086 CB LEU A 72 10.790 -3.290 -2.015 1.00 0.50 C ATOM 1087 CG LEU A 72 10.067 -1.925 -1.943 1.00 0.70 C ATOM 1088 CD1 LEU A 72 8.952 -1.895 -0.903 1.00 1.23 C ATOM 1089 CD2 LEU A 72 11.040 -0.792 -1.719 1.00 0.61 C ATOM 0 H LEU A 72 8.981 -5.034 -1.037 1.00 0.37 H new ATOM 0 HA LEU A 72 9.746 -4.058 -3.695 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.026 -3.605 -0.998 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.739 -3.146 -2.532 1.00 0.50 H new ATOM 0 HG LEU A 72 9.595 -1.785 -2.915 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.483 -0.911 -0.901 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.206 -2.652 -1.147 1.00 1.23 H new ATOM 0 HD13 LEU A 72 9.369 -2.101 0.083 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.496 0.151 -1.674 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.572 -0.949 -0.781 1.00 0.61 H new ATOM 0 HD23 LEU A 72 11.756 -0.759 -2.541 1.00 0.61 H new ATOM 1101 N ASN A 73 10.981 -6.116 -4.096 1.00 0.56 N ATOM 1102 CA ASN A 73 11.782 -7.283 -4.467 1.00 0.72 C ATOM 1103 C ASN A 73 13.262 -6.937 -4.407 1.00 0.73 C ATOM 1104 O ASN A 73 14.080 -7.698 -3.883 1.00 0.87 O ATOM 1105 CB ASN A 73 11.384 -7.752 -5.880 1.00 0.90 C ATOM 1106 CG ASN A 73 12.189 -8.938 -6.406 1.00 1.41 C ATOM 1107 OD1 ASN A 73 12.663 -9.784 -5.657 1.00 2.18 O ATOM 1108 ND2 ASN A 73 12.325 -9.013 -7.697 1.00 1.84 N ATOM 0 H ASN A 73 10.493 -5.689 -4.883 1.00 0.56 H new ATOM 0 HA ASN A 73 11.594 -8.095 -3.764 1.00 0.72 H new ATOM 0 HB2 ASN A 73 10.328 -8.020 -5.875 1.00 0.90 H new ATOM 0 HB3 ASN A 73 11.498 -6.917 -6.571 1.00 0.90 H new ATOM 0 HD21 ASN A 73 12.838 -9.791 -8.111 1.00 1.84 H new ATOM 0 HD22 ASN A 73 11.919 -8.293 -8.295 1.00 1.84 H new ATOM 1115 N GLN A 74 13.593 -5.774 -4.913 1.00 0.66 N ATOM 1116 CA GLN A 74 14.936 -5.286 -4.900 1.00 0.72 C ATOM 1117 C GLN A 74 14.870 -3.912 -4.223 1.00 0.66 C ATOM 1118 O GLN A 74 14.432 -2.932 -4.830 1.00 0.69 O ATOM 1119 CB GLN A 74 15.430 -5.191 -6.363 1.00 0.86 C ATOM 1120 CG GLN A 74 16.941 -5.025 -6.608 1.00 1.58 C ATOM 1121 CD GLN A 74 17.537 -3.767 -6.038 1.00 2.11 C ATOM 1122 OE1 GLN A 74 17.551 -2.728 -6.686 1.00 2.82 O ATOM 1123 NE2 GLN A 74 18.093 -3.864 -4.871 1.00 2.58 N ATOM 0 H GLN A 74 12.925 -5.138 -5.348 1.00 0.66 H new ATOM 0 HA GLN A 74 15.631 -5.931 -4.363 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.104 -6.091 -6.884 1.00 0.86 H new ATOM 0 HB3 GLN A 74 14.921 -4.349 -6.833 1.00 0.86 H new ATOM 0 HG2 GLN A 74 17.461 -5.883 -6.181 1.00 1.58 H new ATOM 0 HG3 GLN A 74 17.125 -5.043 -7.682 1.00 1.58 H new ATOM 0 HE21 GLN A 74 18.060 -4.747 -4.362 1.00 2.58 H new ATOM 0 HE22 GLN A 74 18.564 -3.057 -4.462 1.00 2.58 H new ATOM 1132 N PRO A 75 15.239 -3.843 -2.945 1.00 0.75 N ATOM 1133 CA PRO A 75 15.187 -2.608 -2.180 1.00 0.84 C ATOM 1134 C PRO A 75 16.407 -1.720 -2.425 1.00 0.81 C ATOM 1135 O PRO A 75 17.516 -2.207 -2.663 1.00 0.83 O ATOM 1136 CB PRO A 75 15.179 -3.099 -0.738 1.00 1.06 C ATOM 1137 CG PRO A 75 15.950 -4.376 -0.770 1.00 1.25 C ATOM 1138 CD PRO A 75 15.727 -4.980 -2.128 1.00 0.93 C ATOM 0 HA PRO A 75 14.327 -1.995 -2.450 1.00 0.84 H new ATOM 0 HB2 PRO A 75 15.642 -2.373 -0.070 1.00 1.06 H new ATOM 0 HB3 PRO A 75 14.162 -3.259 -0.379 1.00 1.06 H new ATOM 0 HG2 PRO A 75 17.010 -4.192 -0.597 1.00 1.25 H new ATOM 0 HG3 PRO A 75 15.612 -5.052 0.015 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.647 -5.399 -2.535 1.00 0.93 H new ATOM 0 HD3 PRO A 75 14.997 -5.789 -2.091 1.00 0.93 H new ATOM 1146 N THR A 76 16.214 -0.435 -2.376 1.00 0.86 N ATOM 1147 CA THR A 76 17.306 0.476 -2.553 1.00 0.90 C ATOM 1148 C THR A 76 17.322 1.508 -1.436 1.00 0.84 C ATOM 1149 O THR A 76 16.290 1.950 -0.988 1.00 0.79 O ATOM 1150 CB THR A 76 17.245 1.164 -3.946 1.00 1.07 C ATOM 1151 OG1 THR A 76 15.910 1.626 -4.246 1.00 1.17 O ATOM 1152 CG2 THR A 76 17.716 0.227 -5.041 1.00 1.22 C ATOM 0 H THR A 76 15.309 0.007 -2.215 1.00 0.86 H new ATOM 0 HA THR A 76 18.234 -0.094 -2.508 1.00 0.90 H new ATOM 0 HB THR A 76 17.913 2.025 -3.906 1.00 1.07 H new ATOM 0 HG1 THR A 76 15.321 1.439 -3.486 1.00 1.17 H new ATOM 0 HG21 THR A 76 17.662 0.736 -6.003 1.00 1.22 H new ATOM 0 HG22 THR A 76 18.746 -0.072 -4.846 1.00 1.22 H new ATOM 0 HG23 THR A 76 17.079 -0.657 -5.062 1.00 1.22 H new ATOM 1160 N HIS A 77 18.511 1.851 -0.982 1.00 0.92 N ATOM 1161 CA HIS A 77 18.755 2.835 0.108 1.00 0.94 C ATOM 1162 C HIS A 77 18.201 4.242 -0.149 1.00 0.81 C ATOM 1163 O HIS A 77 18.261 5.100 0.731 1.00 0.85 O ATOM 1164 CB HIS A 77 20.246 2.891 0.524 1.00 1.20 C ATOM 1165 CG HIS A 77 21.212 3.160 -0.596 1.00 1.36 C ATOM 1166 ND1 HIS A 77 21.630 2.186 -1.481 1.00 1.98 N ATOM 1167 CD2 HIS A 77 21.843 4.288 -0.963 1.00 1.62 C ATOM 1168 CE1 HIS A 77 22.477 2.712 -2.337 1.00 2.03 C ATOM 1169 NE2 HIS A 77 22.621 3.984 -2.045 1.00 1.72 N ATOM 0 H HIS A 77 19.372 1.454 -1.357 1.00 0.92 H new ATOM 0 HA HIS A 77 18.175 2.447 0.945 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.367 3.666 1.281 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.512 1.943 0.993 1.00 1.20 H new ATOM 0 HD1 HIS A 77 21.329 1.212 -1.472 1.00 1.98 H new ATOM 0 HD2 HIS A 77 21.752 5.255 -0.491 1.00 1.62 H new ATOM 0 HE1 HIS A 77 22.970 2.188 -3.142 1.00 2.03 H new ATOM 1178 N VAL A 78 17.685 4.491 -1.338 1.00 0.83 N ATOM 1179 CA VAL A 78 17.008 5.756 -1.608 1.00 0.92 C ATOM 1180 C VAL A 78 15.571 5.677 -1.089 1.00 0.90 C ATOM 1181 O VAL A 78 14.923 6.687 -0.847 1.00 1.08 O ATOM 1182 CB VAL A 78 17.011 6.144 -3.117 1.00 1.15 C ATOM 1183 CG1 VAL A 78 18.424 6.398 -3.604 1.00 1.33 C ATOM 1184 CG2 VAL A 78 16.341 5.074 -3.971 1.00 1.14 C ATOM 0 H VAL A 78 17.718 3.846 -2.127 1.00 0.83 H new ATOM 0 HA VAL A 78 17.562 6.538 -1.089 1.00 0.92 H new ATOM 0 HB VAL A 78 16.435 7.064 -3.219 1.00 1.15 H new ATOM 0 HG11 VAL A 78 18.402 6.667 -4.660 1.00 1.33 H new ATOM 0 HG12 VAL A 78 18.865 7.213 -3.031 1.00 1.33 H new ATOM 0 HG13 VAL A 78 19.022 5.496 -3.472 1.00 1.33 H new ATOM 0 HG21 VAL A 78 16.361 5.378 -5.017 1.00 1.14 H new ATOM 0 HG22 VAL A 78 16.875 4.130 -3.857 1.00 1.14 H new ATOM 0 HG23 VAL A 78 15.307 4.947 -3.650 1.00 1.14 H new ATOM 1194 N ASN A 79 15.123 4.442 -0.849 1.00 0.78 N ATOM 1195 CA ASN A 79 13.768 4.132 -0.362 1.00 0.90 C ATOM 1196 C ASN A 79 13.723 4.279 1.140 1.00 0.78 C ATOM 1197 O ASN A 79 12.698 4.074 1.772 1.00 0.96 O ATOM 1198 CB ASN A 79 13.390 2.685 -0.723 1.00 1.13 C ATOM 1199 CG ASN A 79 13.349 2.400 -2.213 1.00 1.40 C ATOM 1200 OD1 ASN A 79 13.715 1.303 -2.654 1.00 2.19 O ATOM 1201 ND2 ASN A 79 12.881 3.343 -2.994 1.00 1.22 N ATOM 0 H ASN A 79 15.699 3.612 -0.989 1.00 0.78 H new ATOM 0 HA ASN A 79 13.066 4.822 -0.830 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.105 2.008 -0.256 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.413 2.460 -0.296 1.00 1.13 H new ATOM 0 HD21 ASN A 79 12.810 3.184 -3.999 1.00 1.22 H new ATOM 0 HD22 ASN A 79 12.588 4.236 -2.597 1.00 1.22 H new ATOM 1208 N ASN A 80 14.852 4.614 1.701 1.00 0.64 N ATOM 1209 CA ASN A 80 14.997 4.815 3.118 1.00 0.59 C ATOM 1210 C ASN A 80 14.410 6.177 3.487 1.00 0.56 C ATOM 1211 O ASN A 80 15.123 7.185 3.588 1.00 0.88 O ATOM 1212 CB ASN A 80 16.487 4.692 3.487 1.00 0.72 C ATOM 1213 CG ASN A 80 16.803 4.902 4.950 1.00 1.05 C ATOM 1214 OD1 ASN A 80 15.966 4.688 5.824 1.00 1.96 O ATOM 1215 ND2 ASN A 80 18.036 5.228 5.226 1.00 1.43 N ATOM 0 H ASN A 80 15.715 4.758 1.176 1.00 0.64 H new ATOM 0 HA ASN A 80 14.454 4.059 3.685 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.838 3.703 3.194 1.00 0.72 H new ATOM 0 HB3 ASN A 80 17.052 5.417 2.901 1.00 0.72 H new ATOM 0 HD21 ASN A 80 18.336 5.313 6.197 1.00 1.43 H new ATOM 0 HD22 ASN A 80 18.700 5.397 4.471 1.00 1.43 H new ATOM 1222 N GLY A 81 13.107 6.204 3.626 1.00 0.46 N ATOM 1223 CA GLY A 81 12.403 7.412 3.915 1.00 0.49 C ATOM 1224 C GLY A 81 10.988 7.139 4.361 1.00 0.43 C ATOM 1225 O GLY A 81 10.684 6.038 4.843 1.00 0.40 O ATOM 0 H GLY A 81 12.510 5.381 3.540 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.930 7.963 4.694 1.00 0.49 H new ATOM 0 HA3 GLY A 81 12.389 8.046 3.029 1.00 0.49 H new ATOM 1229 N ASN A 82 10.126 8.109 4.184 1.00 0.45 N ATOM 1230 CA ASN A 82 8.756 8.009 4.637 1.00 0.44 C ATOM 1231 C ASN A 82 7.797 7.611 3.530 1.00 0.37 C ATOM 1232 O ASN A 82 7.767 8.218 2.462 1.00 0.46 O ATOM 1233 CB ASN A 82 8.283 9.321 5.279 1.00 0.56 C ATOM 1234 CG ASN A 82 6.816 9.268 5.683 1.00 1.27 C ATOM 1235 OD1 ASN A 82 5.927 9.626 4.913 1.00 2.23 O ATOM 1236 ND2 ASN A 82 6.552 8.824 6.875 1.00 1.65 N ATOM 0 H ASN A 82 10.351 8.990 3.723 1.00 0.45 H new ATOM 0 HA ASN A 82 8.747 7.216 5.385 1.00 0.44 H new ATOM 0 HB2 ASN A 82 8.892 9.534 6.157 1.00 0.56 H new ATOM 0 HB3 ASN A 82 8.436 10.142 4.578 1.00 0.56 H new ATOM 0 HD21 ASN A 82 5.585 8.765 7.195 1.00 1.65 H new ATOM 0 HD22 ASN A 82 7.312 8.534 7.491 1.00 1.65 H new ATOM 1243 N TYR A 83 7.019 6.609 3.817 1.00 0.29 N ATOM 1244 CA TYR A 83 5.979 6.108 2.969 1.00 0.27 C ATOM 1245 C TYR A 83 4.634 6.493 3.591 1.00 0.28 C ATOM 1246 O TYR A 83 4.494 6.513 4.806 1.00 0.47 O ATOM 1247 CB TYR A 83 6.075 4.575 2.891 1.00 0.34 C ATOM 1248 CG TYR A 83 7.241 4.037 2.109 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.106 3.669 0.780 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.489 3.927 2.695 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.183 3.205 0.063 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.570 3.459 1.985 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.356 2.994 0.665 1.00 0.60 C ATOM 1254 OH TYR A 83 10.492 2.654 -0.031 1.00 0.69 O ATOM 0 H TYR A 83 7.097 6.093 4.694 1.00 0.29 H new ATOM 0 HA TYR A 83 6.074 6.526 1.967 1.00 0.27 H new ATOM 0 HB2 TYR A 83 6.127 4.180 3.906 1.00 0.34 H new ATOM 0 HB3 TYR A 83 5.156 4.193 2.447 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.141 3.748 0.301 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.617 4.214 3.728 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.080 3.010 -0.994 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.557 3.447 2.423 1.00 0.55 H new ATOM 0 HH TYR A 83 10.553 1.678 -0.101 1.00 0.69 H new ATOM 1264 N THR A 84 3.687 6.849 2.797 1.00 0.22 N ATOM 1265 CA THR A 84 2.361 7.161 3.280 1.00 0.23 C ATOM 1266 C THR A 84 1.325 6.651 2.280 1.00 0.22 C ATOM 1267 O THR A 84 1.496 6.821 1.080 1.00 0.26 O ATOM 1268 CB THR A 84 2.211 8.696 3.523 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.175 9.122 4.513 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.808 9.063 4.005 1.00 0.33 C ATOM 0 H THR A 84 3.797 6.937 1.787 1.00 0.22 H new ATOM 0 HA THR A 84 2.197 6.664 4.236 1.00 0.23 H new ATOM 0 HB THR A 84 2.386 9.201 2.573 1.00 0.27 H new ATOM 0 HG1 THR A 84 4.073 9.114 4.120 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.747 10.140 4.162 1.00 0.33 H new ATOM 0 HG22 THR A 84 0.076 8.764 3.255 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.599 8.548 4.942 1.00 0.33 H new ATOM 1278 N LEU A 85 0.291 6.002 2.768 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.737 5.471 1.904 1.00 0.19 C ATOM 1280 C LEU A 85 -1.976 6.337 1.990 1.00 0.18 C ATOM 1281 O LEU A 85 -2.507 6.572 3.084 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.077 4.015 2.273 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.103 3.302 1.383 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.610 3.244 -0.027 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.361 1.899 1.879 1.00 0.22 C ATOM 0 H LEU A 85 0.141 5.829 3.762 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.363 5.478 0.880 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.154 3.436 2.260 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.447 4.001 3.298 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.034 3.868 1.422 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.347 2.736 -0.649 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.456 4.256 -0.401 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.667 2.698 -0.061 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.092 1.413 1.232 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.430 1.332 1.866 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.747 1.938 2.897 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.388 6.841 0.859 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.580 7.644 0.747 1.00 0.22 C ATOM 1299 C LEU A 86 -4.624 6.840 -0.003 1.00 0.22 C ATOM 1300 O LEU A 86 -4.350 6.346 -1.100 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.323 8.962 -0.046 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.304 9.992 0.505 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.598 10.368 1.945 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.859 9.535 0.324 1.00 0.32 C ATOM 0 H LEU A 86 -1.899 6.705 -0.026 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.909 7.907 1.752 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.998 8.683 -1.048 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.280 9.473 -0.152 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.424 10.895 -0.094 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.860 11.092 2.290 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.594 10.806 2.011 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.552 9.476 2.570 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.185 10.291 0.726 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.706 8.594 0.853 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.653 9.392 -0.737 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.782 6.679 0.577 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.875 5.998 -0.091 1.00 0.23 C ATOM 1318 C ALA A 87 -8.024 6.945 -0.188 1.00 0.29 C ATOM 1319 O ALA A 87 -8.509 7.423 0.831 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.299 4.761 0.681 1.00 0.24 C ATOM 0 H ALA A 87 -6.001 7.010 1.517 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.551 5.681 -1.082 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.120 4.270 0.158 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.456 4.075 0.760 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.626 5.050 1.680 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.461 7.223 -1.381 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.540 8.160 -1.573 1.00 0.45 C ATOM 1328 C ALA A 88 -10.683 7.536 -2.338 1.00 0.37 C ATOM 1329 O ALA A 88 -10.492 7.021 -3.444 1.00 0.37 O ATOM 1330 CB ALA A 88 -9.037 9.403 -2.298 1.00 0.61 C ATOM 0 H ALA A 88 -8.090 6.816 -2.240 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.912 8.447 -0.590 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.862 10.102 -2.437 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.254 9.878 -1.706 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.635 9.119 -3.270 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.844 7.531 -1.729 1.00 0.49 N ATOM 1337 CA ASN A 89 -13.066 7.095 -2.377 1.00 0.58 C ATOM 1338 C ASN A 89 -14.112 8.193 -2.177 1.00 0.57 C ATOM 1339 O ASN A 89 -13.824 9.153 -1.436 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.565 5.677 -1.893 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.952 5.526 -0.415 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.337 6.479 0.274 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -13.932 4.295 0.051 1.00 1.18 N ATOM 0 H ASN A 89 -11.973 7.831 -0.763 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.877 6.950 -3.441 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.430 5.401 -2.497 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.780 4.952 -2.111 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -14.240 4.106 1.005 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.609 3.530 -0.542 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.308 8.134 -2.841 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.340 9.179 -2.713 1.00 0.68 C ATOM 1352 C PRO A 90 -16.654 9.588 -1.266 1.00 0.56 C ATOM 1353 O PRO A 90 -16.789 10.775 -0.978 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.556 8.556 -3.385 1.00 0.81 C ATOM 1355 CG PRO A 90 -16.971 7.689 -4.437 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.742 7.090 -3.817 1.00 0.74 C ATOM 0 HA PRO A 90 -16.008 10.113 -3.167 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.153 7.980 -2.678 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.211 9.316 -3.811 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.674 6.915 -4.745 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -16.721 8.265 -5.328 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.961 6.143 -3.323 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -14.972 6.890 -4.562 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.731 8.625 -0.359 1.00 0.50 N ATOM 1365 CA CYS A 91 -17.042 8.939 1.027 1.00 0.50 C ATOM 1366 C CYS A 91 -15.927 9.730 1.703 1.00 0.46 C ATOM 1367 O CYS A 91 -16.200 10.736 2.375 1.00 0.61 O ATOM 1368 CB CYS A 91 -17.384 7.696 1.854 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.792 8.078 3.601 1.00 1.10 S ATOM 0 H CYS A 91 -16.585 7.634 -0.553 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.932 9.567 0.989 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -18.229 7.183 1.394 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -16.540 7.007 1.827 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.683 9.315 1.524 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.613 10.011 2.182 1.00 0.58 C ATOM 1376 C GLY A 92 -12.248 9.497 1.819 1.00 0.49 C ATOM 1377 O GLY A 92 -12.110 8.541 1.034 1.00 0.59 O ATOM 0 H GLY A 92 -14.404 8.523 0.945 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.672 11.070 1.932 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.747 9.930 3.261 1.00 0.58 H new ATOM 1381 N GLN A 93 -11.248 10.136 2.372 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.879 9.775 2.168 1.00 0.42 C ATOM 1383 C GLN A 93 -9.239 9.418 3.498 1.00 0.41 C ATOM 1384 O GLN A 93 -9.392 10.145 4.494 1.00 0.56 O ATOM 1385 CB GLN A 93 -9.103 10.923 1.521 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.656 10.574 1.202 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.907 11.711 0.576 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -6.921 11.871 -0.638 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -6.213 12.479 1.375 1.00 1.33 N ATOM 0 H GLN A 93 -11.372 10.939 2.989 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.847 8.914 1.500 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.608 11.220 0.602 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -9.122 11.785 2.188 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -7.149 10.273 2.119 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.634 9.717 0.529 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -6.227 12.313 2.381 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.657 13.244 0.992 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.533 8.327 3.509 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.833 7.862 4.679 1.00 0.33 C ATOM 1400 C ALA A 94 -6.356 7.923 4.425 1.00 0.31 C ATOM 1401 O ALA A 94 -5.917 7.869 3.262 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.211 6.442 4.975 1.00 0.37 C ATOM 0 H ALA A 94 -8.423 7.722 2.695 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.100 8.493 5.527 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.676 6.100 5.861 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.285 6.381 5.153 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.947 5.811 4.126 1.00 0.37 H new ATOM 1408 N SER A 95 -5.595 8.025 5.477 1.00 0.36 N ATOM 1409 CA SER A 95 -4.182 8.057 5.367 1.00 0.37 C ATOM 1410 C SER A 95 -3.548 7.343 6.543 1.00 0.38 C ATOM 1411 O SER A 95 -4.113 7.305 7.643 1.00 0.57 O ATOM 1412 CB SER A 95 -3.698 9.506 5.292 1.00 0.43 C ATOM 1413 OG SER A 95 -4.167 10.261 6.411 1.00 0.50 O ATOM 0 H SER A 95 -5.947 8.088 6.432 1.00 0.36 H new ATOM 0 HA SER A 95 -3.885 7.542 4.453 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.609 9.528 5.265 1.00 0.43 H new ATOM 0 HB3 SER A 95 -4.050 9.963 4.367 1.00 0.43 H new ATOM 0 HG SER A 95 -3.843 11.183 6.342 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.428 6.745 6.295 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.618 6.127 7.306 1.00 0.27 C ATOM 1421 C ALA A 96 -0.191 6.282 6.849 1.00 0.23 C ATOM 1422 O ALA A 96 0.062 6.287 5.634 1.00 0.26 O ATOM 1423 CB ALA A 96 -1.995 4.657 7.487 1.00 0.30 C ATOM 0 H ALA A 96 -2.036 6.668 5.357 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.767 6.596 8.279 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.366 4.212 8.259 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.041 4.584 7.784 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.847 4.125 6.547 1.00 0.30 H new ATOM 1429 N SER A 97 0.727 6.443 7.758 1.00 0.26 N ATOM 1430 CA SER A 97 2.089 6.686 7.381 1.00 0.28 C ATOM 1431 C SER A 97 2.996 5.559 7.901 1.00 0.25 C ATOM 1432 O SER A 97 2.764 5.003 8.983 1.00 0.38 O ATOM 1433 CB SER A 97 2.530 8.071 7.908 1.00 0.41 C ATOM 1434 OG SER A 97 3.772 8.497 7.341 1.00 1.26 O ATOM 0 H SER A 97 0.558 6.411 8.763 1.00 0.26 H new ATOM 0 HA SER A 97 2.175 6.694 6.294 1.00 0.28 H new ATOM 0 HB2 SER A 97 1.758 8.806 7.681 1.00 0.41 H new ATOM 0 HB3 SER A 97 2.623 8.032 8.993 1.00 0.41 H new ATOM 0 HG SER A 97 3.637 8.735 6.400 1.00 1.26 H new ATOM 1440 N ILE A 98 3.992 5.229 7.117 1.00 0.25 N ATOM 1441 CA ILE A 98 4.958 4.187 7.401 1.00 0.28 C ATOM 1442 C ILE A 98 6.367 4.700 7.097 1.00 0.28 C ATOM 1443 O ILE A 98 6.658 5.127 6.007 1.00 0.30 O ATOM 1444 CB ILE A 98 4.621 2.837 6.614 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.850 1.933 6.397 1.00 0.72 C ATOM 1446 CG2 ILE A 98 3.931 3.094 5.288 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.519 1.461 7.637 1.00 0.37 C ATOM 0 H ILE A 98 4.162 5.696 6.226 1.00 0.25 H new ATOM 0 HA ILE A 98 4.906 3.936 8.460 1.00 0.28 H new ATOM 0 HB ILE A 98 3.930 2.303 7.267 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.543 1.063 5.816 1.00 0.72 H new ATOM 0 HG13 ILE A 98 6.578 2.477 5.795 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.725 2.144 4.795 1.00 0.39 H new ATOM 0 HG22 ILE A 98 2.994 3.623 5.462 1.00 0.39 H new ATOM 0 HG23 ILE A 98 4.577 3.700 4.653 1.00 0.39 H new ATOM 0 HD11 ILE A 98 7.370 0.833 7.375 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.865 2.319 8.213 1.00 0.37 H new ATOM 0 HD13 ILE A 98 5.813 0.884 8.234 1.00 0.37 H new ATOM 1459 N MET A 99 7.213 4.678 8.066 1.00 0.34 N ATOM 1460 CA MET A 99 8.564 5.140 7.890 1.00 0.41 C ATOM 1461 C MET A 99 9.467 3.935 8.078 1.00 0.40 C ATOM 1462 O MET A 99 9.601 3.420 9.192 1.00 0.51 O ATOM 1463 CB MET A 99 8.877 6.254 8.906 1.00 0.59 C ATOM 1464 CG MET A 99 10.018 7.193 8.508 1.00 0.85 C ATOM 1465 SD MET A 99 11.638 6.420 8.370 1.00 1.25 S ATOM 1466 CE MET A 99 12.571 7.810 7.727 1.00 1.18 C ATOM 0 H MET A 99 6.999 4.342 9.005 1.00 0.34 H new ATOM 0 HA MET A 99 8.718 5.568 6.900 1.00 0.41 H new ATOM 0 HB2 MET A 99 7.976 6.847 9.060 1.00 0.59 H new ATOM 0 HB3 MET A 99 9.123 5.793 9.863 1.00 0.59 H new ATOM 0 HG2 MET A 99 9.771 7.653 7.551 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.078 7.996 9.242 1.00 0.85 H new ATOM 0 HE1 MET A 99 13.570 7.478 7.444 1.00 1.18 H new ATOM 0 HE2 MET A 99 12.062 8.216 6.853 1.00 1.18 H new ATOM 0 HE3 MET A 99 12.648 8.582 8.493 1.00 1.18 H new ATOM 1476 N ALA A 100 10.044 3.471 7.003 1.00 0.42 N ATOM 1477 CA ALA A 100 10.826 2.254 7.022 1.00 0.48 C ATOM 1478 C ALA A 100 12.289 2.545 6.738 1.00 0.48 C ATOM 1479 O ALA A 100 12.625 3.561 6.111 1.00 0.57 O ATOM 1480 CB ALA A 100 10.266 1.267 6.006 1.00 0.58 C ATOM 0 H ALA A 100 9.989 3.921 6.089 1.00 0.42 H new ATOM 0 HA ALA A 100 10.763 1.813 8.017 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.858 0.352 6.023 1.00 0.58 H new ATOM 0 HB2 ALA A 100 9.231 1.035 6.257 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.308 1.707 5.010 1.00 0.58 H new ATOM 1486 N ALA A 101 13.155 1.672 7.191 1.00 0.56 N ATOM 1487 CA ALA A 101 14.564 1.856 7.013 1.00 0.65 C ATOM 1488 C ALA A 101 15.121 0.896 5.976 1.00 0.66 C ATOM 1489 O ALA A 101 15.381 -0.278 6.260 1.00 0.77 O ATOM 1490 CB ALA A 101 15.282 1.683 8.337 1.00 0.84 C ATOM 0 H ALA A 101 12.899 0.820 7.690 1.00 0.56 H new ATOM 0 HA ALA A 101 14.730 2.870 6.648 1.00 0.65 H new ATOM 0 HB1 ALA A 101 16.353 1.825 8.191 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.912 2.419 9.050 1.00 0.84 H new ATOM 0 HB3 ALA A 101 15.098 0.680 8.722 1.00 0.84 H new ATOM 1496 N PHE A 102 15.318 1.404 4.793 1.00 0.75 N ATOM 1497 CA PHE A 102 15.923 0.650 3.713 1.00 0.87 C ATOM 1498 C PHE A 102 17.373 1.050 3.616 1.00 1.20 C ATOM 1499 O PHE A 102 17.751 1.848 2.778 1.00 2.05 O ATOM 1500 CB PHE A 102 15.213 0.920 2.381 1.00 0.97 C ATOM 1501 CG PHE A 102 13.817 0.380 2.297 1.00 1.69 C ATOM 1502 CD1 PHE A 102 13.558 -0.847 1.719 1.00 2.20 C ATOM 1503 CD2 PHE A 102 12.767 1.099 2.817 1.00 2.45 C ATOM 1504 CE1 PHE A 102 12.271 -1.339 1.660 1.00 3.25 C ATOM 1505 CE2 PHE A 102 11.484 0.612 2.758 1.00 3.51 C ATOM 1506 CZ PHE A 102 11.246 -0.627 2.104 1.00 3.86 C ATOM 0 H PHE A 102 15.064 2.359 4.541 1.00 0.75 H new ATOM 0 HA PHE A 102 15.833 -0.416 3.921 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.183 1.996 2.212 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.805 0.487 1.575 1.00 0.97 H new ATOM 0 HD1 PHE A 102 14.371 -1.427 1.309 1.00 2.20 H new ATOM 0 HD2 PHE A 102 12.953 2.058 3.277 1.00 2.45 H new ATOM 0 HE1 PHE A 102 12.096 -2.321 1.245 1.00 3.25 H new ATOM 0 HE2 PHE A 102 10.668 1.163 3.202 1.00 3.51 H new ATOM 0 HZ PHE A 102 10.236 -0.986 1.970 1.00 3.86 H new ATOM 1516 N MET A 103 18.168 0.521 4.491 1.00 1.13 N ATOM 1517 CA MET A 103 19.558 0.910 4.571 1.00 1.42 C ATOM 1518 C MET A 103 20.443 -0.134 3.913 1.00 1.77 C ATOM 1519 O MET A 103 20.510 -1.284 4.365 1.00 2.31 O ATOM 1520 CB MET A 103 19.950 1.145 6.040 1.00 1.94 C ATOM 1521 CG MET A 103 19.136 2.258 6.696 1.00 2.66 C ATOM 1522 SD MET A 103 19.489 2.503 8.445 1.00 3.68 S ATOM 1523 CE MET A 103 18.389 3.883 8.790 1.00 4.72 C ATOM 0 H MET A 103 17.885 -0.187 5.169 1.00 1.13 H new ATOM 0 HA MET A 103 19.702 1.845 4.029 1.00 1.42 H new ATOM 0 HB2 MET A 103 19.812 0.221 6.601 1.00 1.94 H new ATOM 0 HB3 MET A 103 21.010 1.395 6.094 1.00 1.94 H new ATOM 0 HG2 MET A 103 19.325 3.191 6.165 1.00 2.66 H new ATOM 0 HG3 MET A 103 18.076 2.034 6.579 1.00 2.66 H new ATOM 0 HE1 MET A 103 18.049 3.827 9.824 1.00 4.72 H new ATOM 0 HE2 MET A 103 18.922 4.821 8.633 1.00 4.72 H new ATOM 0 HE3 MET A 103 17.529 3.838 8.122 1.00 4.72 H new ATOM 1533 N ASP A 104 21.076 0.250 2.824 1.00 2.30 N ATOM 1534 CA ASP A 104 21.960 -0.654 2.084 1.00 3.13 C ATOM 1535 C ASP A 104 23.369 -0.434 2.443 1.00 2.91 C ATOM 1536 O ASP A 104 23.749 0.627 2.932 1.00 2.44 O ATOM 1537 CB ASP A 104 21.908 -0.494 0.557 1.00 4.12 C ATOM 1538 CG ASP A 104 20.645 -0.898 -0.117 1.00 4.81 C ATOM 1539 OD1 ASP A 104 20.066 -1.933 0.327 1.00 5.16 O ATOM 1540 OD2 ASP A 104 20.193 -0.202 -1.046 1.00 5.33 O ATOM 0 H ASP A 104 21.000 1.185 2.423 1.00 2.30 H new ATOM 0 HA ASP A 104 21.596 -1.643 2.362 1.00 3.13 H new ATOM 0 HB2 ASP A 104 22.101 0.552 0.318 1.00 4.12 H new ATOM 0 HB3 ASP A 104 22.724 -1.075 0.127 1.00 4.12 H new ATOM 1545 N ASN A 105 24.144 -1.416 2.178 1.00 3.53 N ATOM 1546 CA ASN A 105 25.551 -1.303 2.257 1.00 3.62 C ATOM 1547 C ASN A 105 26.057 -1.627 0.876 1.00 4.15 C ATOM 1548 O ASN A 105 26.058 -2.790 0.496 1.00 4.99 O ATOM 1549 CB ASN A 105 26.152 -2.256 3.303 1.00 4.36 C ATOM 1550 CG ASN A 105 25.682 -1.963 4.714 1.00 4.74 C ATOM 1551 OD1 ASN A 105 24.675 -2.511 5.184 1.00 4.89 O ATOM 1552 ND2 ASN A 105 26.382 -1.099 5.399 1.00 5.34 N ATOM 0 H ASN A 105 23.813 -2.338 1.895 1.00 3.53 H new ATOM 0 HA ASN A 105 25.844 -0.303 2.577 1.00 3.62 H new ATOM 0 HB2 ASN A 105 25.889 -3.282 3.045 1.00 4.36 H new ATOM 0 HB3 ASN A 105 27.239 -2.187 3.267 1.00 4.36 H new ATOM 0 HD21 ASN A 105 26.105 -0.858 6.350 1.00 5.34 H new ATOM 0 HD22 ASN A 105 27.206 -0.666 4.983 1.00 5.34 H new ATOM 1559 N PRO A 106 26.385 -0.591 0.069 1.00 3.83 N ATOM 1560 CA PRO A 106 26.844 -0.758 -1.326 1.00 4.48 C ATOM 1561 C PRO A 106 27.903 -1.850 -1.492 1.00 5.07 C ATOM 1562 O PRO A 106 28.820 -1.972 -0.658 1.00 4.97 O ATOM 1563 CB PRO A 106 27.426 0.607 -1.660 1.00 4.12 C ATOM 1564 CG PRO A 106 26.622 1.552 -0.847 1.00 3.35 C ATOM 1565 CD PRO A 106 26.326 0.840 0.445 1.00 3.04 C ATOM 0 HA PRO A 106 26.032 -1.074 -1.981 1.00 4.48 H new ATOM 0 HB2 PRO A 106 28.484 0.662 -1.405 1.00 4.12 H new ATOM 0 HB3 PRO A 106 27.343 0.826 -2.724 1.00 4.12 H new ATOM 0 HG2 PRO A 106 27.171 2.476 -0.666 1.00 3.35 H new ATOM 0 HG3 PRO A 106 25.701 1.824 -1.362 1.00 3.35 H new ATOM 0 HD2 PRO A 106 27.058 1.084 1.215 1.00 3.04 H new ATOM 0 HD3 PRO A 106 25.347 1.112 0.839 1.00 3.04 H new ATOM 1573 N PHE A 107 27.767 -2.603 -2.584 1.00 5.92 N ATOM 1574 CA PHE A 107 28.594 -3.760 -2.918 1.00 6.71 C ATOM 1575 C PHE A 107 28.220 -4.934 -2.028 1.00 7.07 C ATOM 1576 O PHE A 107 27.398 -5.768 -2.454 1.00 7.41 O ATOM 1577 CB PHE A 107 30.115 -3.455 -2.895 1.00 7.09 C ATOM 1578 CG PHE A 107 30.988 -4.627 -3.274 1.00 7.78 C ATOM 1579 CD1 PHE A 107 31.084 -5.041 -4.589 1.00 8.28 C ATOM 1580 CD2 PHE A 107 31.720 -5.301 -2.314 1.00 8.18 C ATOM 1581 CE1 PHE A 107 31.888 -6.105 -4.940 1.00 9.14 C ATOM 1582 CE2 PHE A 107 32.527 -6.369 -2.657 1.00 9.05 C ATOM 1583 CZ PHE A 107 32.610 -6.770 -3.973 1.00 9.52 C ATOM 1584 OXT PHE A 107 28.680 -5.004 -0.876 1.00 7.30 O ATOM 0 H PHE A 107 27.051 -2.416 -3.286 1.00 5.92 H new ATOM 0 HA PHE A 107 28.384 -4.030 -3.953 1.00 6.71 H new ATOM 0 HB2 PHE A 107 30.319 -2.629 -3.577 1.00 7.09 H new ATOM 0 HB3 PHE A 107 30.391 -3.119 -1.896 1.00 7.09 H new ATOM 0 HD1 PHE A 107 30.522 -4.524 -5.352 1.00 8.28 H new ATOM 0 HD2 PHE A 107 31.660 -4.988 -1.282 1.00 8.18 H new ATOM 0 HE1 PHE A 107 31.952 -6.417 -5.972 1.00 9.14 H new ATOM 0 HE2 PHE A 107 33.091 -6.888 -1.896 1.00 9.05 H new ATOM 0 HZ PHE A 107 33.240 -7.604 -4.246 1.00 9.52 H new TER 1594 PHE A 107