USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 833 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc=-0.00987 (180deg=-0.239) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 13 TYR OH : rot -29:sc= 0.882 USER MOD Single : A 14 LYS NZ :NH3+ -122:sc= 1.23 (180deg=-0.134) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.052 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.022 K(o=0.022,f=-0.56) USER MOD Single : A 22 SER OG : rot 180:sc= -0.019 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= -0.0194 (180deg=-0.196) USER MOD Single : A 28 LYS NZ :NH3+ -115:sc= 0.54 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.771 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.28) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.554 K(o=-0.55,f=-2.9!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0826 K(o=-0.083,f=-1.9!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.803 USER MOD Single : A 61 SER OG : rot 180:sc= -0.314 USER MOD Single : A 63 THR OG1 : rot -60:sc= 0.196 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0297 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.0715 X(o=-0.072,f=-0.0056) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc=-0.00941 K(o=-0.0094,f=-1.4!) USER MOD Single : A 85 ASN : amide:sc= -0.0759 K(o=-0.076,f=-1) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc=-0.00573 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.234 K(o=0.23,f=-4.5!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.293 -7.171 -0.566 1.00 62.35 N ATOM 2 CA MET A 1 -5.261 -6.210 0.529 1.00 13.30 C ATOM 3 C MET A 1 -5.836 -4.867 0.090 1.00 54.32 C ATOM 4 O MET A 1 -6.876 -4.435 0.588 1.00 43.44 O ATOM 5 CB MET A 1 -3.828 -6.024 1.032 1.00 54.32 C ATOM 6 CG MET A 1 -3.289 -7.228 1.786 1.00 64.50 C ATOM 7 SD MET A 1 -1.492 -7.350 1.705 1.00 5.23 S ATOM 8 CE MET A 1 -1.046 -6.927 3.388 1.00 54.34 C ATOM 0 H1 MET A 1 -5.244 -8.136 -0.182 1.00 62.35 H new ATOM 0 H2 MET A 1 -6.176 -7.056 -1.103 1.00 62.35 H new ATOM 0 H3 MET A 1 -4.482 -7.007 -1.196 1.00 62.35 H new ATOM 0 HA MET A 1 -5.875 -6.601 1.340 1.00 13.30 H new ATOM 0 HB2 MET A 1 -3.177 -5.816 0.183 1.00 54.32 H new ATOM 0 HB3 MET A 1 -3.790 -5.151 1.683 1.00 54.32 H new ATOM 0 HG2 MET A 1 -3.599 -7.167 2.829 1.00 64.50 H new ATOM 0 HG3 MET A 1 -3.730 -8.136 1.375 1.00 64.50 H new ATOM 0 HE1 MET A 1 0.038 -6.959 3.496 1.00 54.34 H new ATOM 0 HE2 MET A 1 -1.404 -5.924 3.618 1.00 54.34 H new ATOM 0 HE3 MET A 1 -1.500 -7.641 4.075 1.00 54.34 H new ATOM 18 N GLN A 2 -5.153 -4.212 -0.844 1.00 33.24 N ATOM 19 CA GLN A 2 -5.597 -2.918 -1.348 1.00 14.43 C ATOM 20 C GLN A 2 -5.144 -2.710 -2.788 1.00 63.32 C ATOM 21 O GLN A 2 -4.035 -3.093 -3.161 1.00 4.01 O ATOM 22 CB GLN A 2 -5.059 -1.791 -0.464 1.00 34.21 C ATOM 23 CG GLN A 2 -5.947 -1.479 0.731 1.00 24.20 C ATOM 24 CD GLN A 2 -5.515 -0.225 1.467 1.00 54.04 C ATOM 25 OE1 GLN A 2 -6.243 0.768 1.502 1.00 43.24 O ATOM 26 NE2 GLN A 2 -4.328 -0.264 2.059 1.00 73.12 N ATOM 0 H GLN A 2 -4.291 -4.556 -1.266 1.00 33.24 H new ATOM 0 HA GLN A 2 -6.687 -2.901 -1.323 1.00 14.43 H new ATOM 0 HB2 GLN A 2 -4.066 -2.063 -0.107 1.00 34.21 H new ATOM 0 HB3 GLN A 2 -4.945 -0.890 -1.067 1.00 34.21 H new ATOM 0 HG2 GLN A 2 -6.977 -1.361 0.393 1.00 24.20 H new ATOM 0 HG3 GLN A 2 -5.933 -2.323 1.420 1.00 24.20 H new ATOM 0 HE21 GLN A 2 -3.758 -1.108 2.004 1.00 73.12 H new ATOM 0 HE22 GLN A 2 -3.985 0.550 2.569 1.00 73.12 H new ATOM 35 N GLU A 3 -6.008 -2.101 -3.595 1.00 21.22 N ATOM 36 CA GLU A 3 -5.695 -1.844 -4.996 1.00 31.54 C ATOM 37 C GLU A 3 -6.734 -0.921 -5.624 1.00 52.14 C ATOM 38 O GLU A 3 -7.900 -1.289 -5.768 1.00 5.35 O ATOM 39 CB GLU A 3 -5.627 -3.159 -5.775 1.00 43.23 C ATOM 40 CG GLU A 3 -6.866 -4.024 -5.620 1.00 53.41 C ATOM 41 CD GLU A 3 -6.676 -5.422 -6.174 1.00 62.41 C ATOM 42 OE1 GLU A 3 -6.280 -5.544 -7.353 1.00 1.34 O ATOM 43 OE2 GLU A 3 -6.921 -6.394 -5.431 1.00 15.12 O ATOM 0 H GLU A 3 -6.930 -1.777 -3.302 1.00 21.22 H new ATOM 0 HA GLU A 3 -4.723 -1.353 -5.041 1.00 31.54 H new ATOM 0 HB2 GLU A 3 -5.479 -2.938 -6.832 1.00 43.23 H new ATOM 0 HB3 GLU A 3 -4.756 -3.724 -5.442 1.00 43.23 H new ATOM 0 HG2 GLU A 3 -7.129 -4.089 -4.564 1.00 53.41 H new ATOM 0 HG3 GLU A 3 -7.703 -3.547 -6.129 1.00 53.41 H new ATOM 50 N GLN A 4 -6.303 0.280 -5.996 1.00 62.43 N ATOM 51 CA GLN A 4 -7.196 1.257 -6.608 1.00 61.33 C ATOM 52 C GLN A 4 -7.875 0.674 -7.844 1.00 22.33 C ATOM 53 O GLN A 4 -7.220 0.375 -8.843 1.00 12.12 O ATOM 54 CB GLN A 4 -6.421 2.520 -6.986 1.00 43.23 C ATOM 55 CG GLN A 4 -5.693 3.161 -5.816 1.00 12.22 C ATOM 56 CD GLN A 4 -4.438 3.897 -6.242 1.00 12.04 C ATOM 57 OE1 GLN A 4 -4.455 4.680 -7.191 1.00 13.31 O ATOM 58 NE2 GLN A 4 -3.339 3.650 -5.539 1.00 23.14 N ATOM 0 H GLN A 4 -5.341 0.600 -5.884 1.00 62.43 H new ATOM 0 HA GLN A 4 -7.965 1.515 -5.880 1.00 61.33 H new ATOM 0 HB2 GLN A 4 -5.697 2.273 -7.762 1.00 43.23 H new ATOM 0 HB3 GLN A 4 -7.112 3.246 -7.414 1.00 43.23 H new ATOM 0 HG2 GLN A 4 -6.364 3.857 -5.312 1.00 12.22 H new ATOM 0 HG3 GLN A 4 -5.430 2.391 -5.091 1.00 12.22 H new ATOM 0 HE21 GLN A 4 -3.369 2.993 -4.759 1.00 23.14 H new ATOM 0 HE22 GLN A 4 -2.465 4.117 -5.779 1.00 23.14 H new ATOM 67 N VAL A 5 -9.192 0.514 -7.768 1.00 14.33 N ATOM 68 CA VAL A 5 -9.962 -0.032 -8.879 1.00 64.34 C ATOM 69 C VAL A 5 -11.189 0.824 -9.172 1.00 71.41 C ATOM 70 O VAL A 5 -11.967 1.139 -8.272 1.00 20.14 O ATOM 71 CB VAL A 5 -10.412 -1.477 -8.594 1.00 50.23 C ATOM 72 CG1 VAL A 5 -11.277 -1.529 -7.344 1.00 13.13 C ATOM 73 CG2 VAL A 5 -11.156 -2.049 -9.791 1.00 74.22 C ATOM 0 H VAL A 5 -9.748 0.755 -6.948 1.00 14.33 H new ATOM 0 HA VAL A 5 -9.306 -0.029 -9.750 1.00 64.34 H new ATOM 0 HB VAL A 5 -9.526 -2.088 -8.420 1.00 50.23 H new ATOM 0 HG11 VAL A 5 -11.586 -2.558 -7.158 1.00 13.13 H new ATOM 0 HG12 VAL A 5 -10.706 -1.161 -6.491 1.00 13.13 H new ATOM 0 HG13 VAL A 5 -12.160 -0.905 -7.486 1.00 13.13 H new ATOM 0 HG21 VAL A 5 -11.467 -3.071 -9.572 1.00 74.22 H new ATOM 0 HG22 VAL A 5 -12.035 -1.439 -9.998 1.00 74.22 H new ATOM 0 HG23 VAL A 5 -10.500 -2.048 -10.662 1.00 74.22 H new ATOM 83 N SER A 6 -11.357 1.196 -10.437 1.00 63.31 N ATOM 84 CA SER A 6 -12.489 2.018 -10.849 1.00 21.24 C ATOM 85 C SER A 6 -13.537 1.177 -11.571 1.00 3.24 C ATOM 86 O SER A 6 -14.729 1.476 -11.522 1.00 13.43 O ATOM 87 CB SER A 6 -12.017 3.155 -11.757 1.00 23.11 C ATOM 88 OG SER A 6 -11.302 2.653 -12.872 1.00 24.11 O ATOM 0 H SER A 6 -10.723 0.941 -11.195 1.00 63.31 H new ATOM 0 HA SER A 6 -12.943 2.442 -9.954 1.00 21.24 H new ATOM 0 HB2 SER A 6 -12.876 3.731 -12.101 1.00 23.11 H new ATOM 0 HB3 SER A 6 -11.382 3.837 -11.191 1.00 23.11 H new ATOM 0 HG SER A 6 -11.013 3.399 -13.438 1.00 24.11 H new ATOM 94 N ASN A 7 -13.082 0.123 -12.240 1.00 71.33 N ATOM 95 CA ASN A 7 -13.980 -0.762 -12.973 1.00 74.42 C ATOM 96 C ASN A 7 -14.533 -1.853 -12.062 1.00 33.54 C ATOM 97 O ASN A 7 -14.274 -1.862 -10.858 1.00 2.31 O ATOM 98 CB ASN A 7 -13.250 -1.395 -14.160 1.00 61.30 C ATOM 99 CG ASN A 7 -12.792 -0.364 -15.173 1.00 52.32 C ATOM 100 OD1 ASN A 7 -13.207 0.795 -15.128 1.00 21.41 O ATOM 101 ND2 ASN A 7 -11.933 -0.782 -16.095 1.00 52.24 N ATOM 0 H ASN A 7 -12.098 -0.139 -12.290 1.00 71.33 H new ATOM 0 HA ASN A 7 -14.814 -0.166 -13.343 1.00 74.42 H new ATOM 0 HB2 ASN A 7 -12.386 -1.952 -13.797 1.00 61.30 H new ATOM 0 HB3 ASN A 7 -13.910 -2.112 -14.648 1.00 61.30 H new ATOM 0 HD21 ASN A 7 -11.590 -0.134 -16.804 1.00 52.24 H new ATOM 0 HD22 ASN A 7 -11.616 -1.751 -16.094 1.00 52.24 H new ATOM 108 N VAL A 8 -15.296 -2.773 -12.644 1.00 13.22 N ATOM 109 CA VAL A 8 -15.885 -3.870 -11.885 1.00 63.52 C ATOM 110 C VAL A 8 -15.255 -5.205 -12.269 1.00 51.51 C ATOM 111 O VAL A 8 -14.373 -5.262 -13.126 1.00 41.03 O ATOM 112 CB VAL A 8 -17.407 -3.952 -12.105 1.00 12.53 C ATOM 113 CG1 VAL A 8 -18.089 -2.694 -11.586 1.00 40.22 C ATOM 114 CG2 VAL A 8 -17.721 -4.170 -13.576 1.00 14.12 C ATOM 0 H VAL A 8 -15.521 -2.780 -13.639 1.00 13.22 H new ATOM 0 HA VAL A 8 -15.688 -3.667 -10.832 1.00 63.52 H new ATOM 0 HB VAL A 8 -17.793 -4.804 -11.545 1.00 12.53 H new ATOM 0 HG11 VAL A 8 -19.164 -2.769 -11.750 1.00 40.22 H new ATOM 0 HG12 VAL A 8 -17.891 -2.586 -10.520 1.00 40.22 H new ATOM 0 HG13 VAL A 8 -17.701 -1.825 -12.117 1.00 40.22 H new ATOM 0 HG21 VAL A 8 -18.801 -4.226 -13.713 1.00 14.12 H new ATOM 0 HG22 VAL A 8 -17.323 -3.340 -14.160 1.00 14.12 H new ATOM 0 HG23 VAL A 8 -17.264 -5.101 -13.911 1.00 14.12 H new ATOM 124 N ARG A 9 -15.714 -6.275 -11.630 1.00 54.02 N ATOM 125 CA ARG A 9 -15.196 -7.610 -11.905 1.00 24.20 C ATOM 126 C ARG A 9 -16.316 -8.645 -11.875 1.00 41.23 C ATOM 127 O ARG A 9 -17.345 -8.443 -11.231 1.00 23.00 O ATOM 128 CB ARG A 9 -14.117 -7.981 -10.887 1.00 11.44 C ATOM 129 CG ARG A 9 -14.558 -7.807 -9.442 1.00 43.41 C ATOM 130 CD ARG A 9 -13.415 -8.073 -8.475 1.00 24.11 C ATOM 131 NE ARG A 9 -12.219 -7.306 -8.815 1.00 34.40 N ATOM 132 CZ ARG A 9 -11.035 -7.501 -8.245 1.00 73.42 C ATOM 133 NH1 ARG A 9 -10.888 -8.434 -7.314 1.00 41.15 N ATOM 134 NH2 ARG A 9 -9.994 -6.763 -8.609 1.00 14.03 N ATOM 0 H ARG A 9 -16.444 -6.244 -10.918 1.00 54.02 H new ATOM 0 HA ARG A 9 -14.758 -7.604 -12.903 1.00 24.20 H new ATOM 0 HB2 ARG A 9 -13.821 -9.018 -11.045 1.00 11.44 H new ATOM 0 HB3 ARG A 9 -13.234 -7.367 -11.065 1.00 11.44 H new ATOM 0 HG2 ARG A 9 -14.933 -6.794 -9.294 1.00 43.41 H new ATOM 0 HG3 ARG A 9 -15.383 -8.487 -9.228 1.00 43.41 H new ATOM 0 HD2 ARG A 9 -13.731 -7.821 -7.463 1.00 24.11 H new ATOM 0 HD3 ARG A 9 -13.177 -9.137 -8.480 1.00 24.11 H new ATOM 0 HE ARG A 9 -12.297 -6.582 -9.529 1.00 34.40 H new ATOM 0 HH11 ARG A 9 -11.686 -9.005 -7.033 1.00 41.15 H new ATOM 0 HH12 ARG A 9 -9.977 -8.581 -6.879 1.00 41.15 H new ATOM 0 HH21 ARG A 9 -10.103 -6.046 -9.326 1.00 14.03 H new ATOM 0 HH22 ARG A 9 -9.085 -6.913 -8.171 1.00 14.03 H new ATOM 148 N ALA A 10 -16.109 -9.754 -12.577 1.00 50.05 N ATOM 149 CA ALA A 10 -17.100 -10.822 -12.630 1.00 41.24 C ATOM 150 C ALA A 10 -16.693 -11.993 -11.743 1.00 45.22 C ATOM 151 O ALA A 10 -15.648 -12.609 -11.953 1.00 35.24 O ATOM 152 CB ALA A 10 -17.298 -11.288 -14.065 1.00 64.35 C ATOM 0 H ALA A 10 -15.263 -9.937 -13.117 1.00 50.05 H new ATOM 0 HA ALA A 10 -18.044 -10.427 -12.255 1.00 41.24 H new ATOM 0 HB1 ALA A 10 -18.041 -12.086 -14.089 1.00 64.35 H new ATOM 0 HB2 ALA A 10 -17.643 -10.453 -14.675 1.00 64.35 H new ATOM 0 HB3 ALA A 10 -16.353 -11.660 -14.460 1.00 64.35 H new ATOM 158 N ARG A 11 -17.525 -12.295 -10.751 1.00 45.35 N ATOM 159 CA ARG A 11 -17.250 -13.391 -9.831 1.00 4.24 C ATOM 160 C ARG A 11 -17.993 -14.655 -10.253 1.00 15.42 C ATOM 161 O ARG A 11 -19.199 -14.780 -10.034 1.00 21.14 O ATOM 162 CB ARG A 11 -17.652 -13.002 -8.407 1.00 4.14 C ATOM 163 CG ARG A 11 -17.339 -14.071 -7.372 1.00 5.33 C ATOM 164 CD ARG A 11 -17.847 -13.677 -5.994 1.00 25.42 C ATOM 165 NE ARG A 11 -16.914 -12.794 -5.299 1.00 12.04 N ATOM 166 CZ ARG A 11 -15.746 -13.195 -4.812 1.00 24.33 C ATOM 167 NH1 ARG A 11 -15.367 -14.459 -4.945 1.00 0.24 N ATOM 168 NH2 ARG A 11 -14.951 -12.332 -4.192 1.00 14.42 N ATOM 0 H ARG A 11 -18.395 -11.796 -10.565 1.00 45.35 H new ATOM 0 HA ARG A 11 -16.179 -13.594 -9.857 1.00 4.24 H new ATOM 0 HB2 ARG A 11 -17.138 -12.081 -8.132 1.00 4.14 H new ATOM 0 HB3 ARG A 11 -18.721 -12.789 -8.386 1.00 4.14 H new ATOM 0 HG2 ARG A 11 -17.794 -15.015 -7.673 1.00 5.33 H new ATOM 0 HG3 ARG A 11 -16.262 -14.235 -7.331 1.00 5.33 H new ATOM 0 HD2 ARG A 11 -18.812 -13.180 -6.092 1.00 25.42 H new ATOM 0 HD3 ARG A 11 -18.010 -14.575 -5.397 1.00 25.42 H new ATOM 0 HE ARG A 11 -17.174 -11.815 -5.181 1.00 12.04 H new ATOM 0 HH11 ARG A 11 -15.974 -15.126 -5.422 1.00 0.24 H new ATOM 0 HH12 ARG A 11 -14.469 -14.764 -4.570 1.00 0.24 H new ATOM 0 HH21 ARG A 11 -15.237 -11.358 -4.089 1.00 14.42 H new ATOM 0 HH22 ARG A 11 -14.054 -12.642 -3.819 1.00 14.42 H new ATOM 182 N ILE A 12 -17.267 -15.588 -10.858 1.00 0.11 N ATOM 183 CA ILE A 12 -17.858 -16.841 -11.311 1.00 24.12 C ATOM 184 C ILE A 12 -17.463 -17.996 -10.396 1.00 2.21 C ATOM 185 O ILE A 12 -16.304 -18.117 -9.996 1.00 41.40 O ATOM 186 CB ILE A 12 -17.433 -17.175 -12.753 1.00 32.00 C ATOM 187 CG1 ILE A 12 -17.770 -16.013 -13.688 1.00 64.22 C ATOM 188 CG2 ILE A 12 -18.112 -18.454 -13.221 1.00 54.24 C ATOM 189 CD1 ILE A 12 -17.133 -16.133 -15.056 1.00 34.42 C ATOM 0 H ILE A 12 -16.268 -15.500 -11.046 1.00 0.11 H new ATOM 0 HA ILE A 12 -18.940 -16.709 -11.281 1.00 24.12 H new ATOM 0 HB ILE A 12 -16.354 -17.331 -12.773 1.00 32.00 H new ATOM 0 HG12 ILE A 12 -18.852 -15.953 -13.804 1.00 64.22 H new ATOM 0 HG13 ILE A 12 -17.447 -15.080 -13.226 1.00 64.22 H new ATOM 0 HG21 ILE A 12 -17.802 -18.678 -14.242 1.00 54.24 H new ATOM 0 HG22 ILE A 12 -17.827 -19.278 -12.567 1.00 54.24 H new ATOM 0 HG23 ILE A 12 -19.194 -18.324 -13.190 1.00 54.24 H new ATOM 0 HD11 ILE A 12 -17.415 -15.275 -15.665 1.00 34.42 H new ATOM 0 HD12 ILE A 12 -16.048 -16.162 -14.951 1.00 34.42 H new ATOM 0 HD13 ILE A 12 -17.476 -17.049 -15.538 1.00 34.42 H new ATOM 201 N TYR A 13 -18.432 -18.843 -10.070 1.00 60.15 N ATOM 202 CA TYR A 13 -18.187 -19.989 -9.202 1.00 70.43 C ATOM 203 C TYR A 13 -19.338 -20.987 -9.279 1.00 55.34 C ATOM 204 O TYR A 13 -20.488 -20.611 -9.507 1.00 53.24 O ATOM 205 CB TYR A 13 -17.991 -19.529 -7.757 1.00 50.43 C ATOM 206 CG TYR A 13 -19.247 -18.972 -7.125 1.00 12.53 C ATOM 207 CD1 TYR A 13 -19.758 -17.740 -7.515 1.00 74.43 C ATOM 208 CD2 TYR A 13 -19.921 -19.677 -6.135 1.00 43.23 C ATOM 209 CE1 TYR A 13 -20.905 -17.228 -6.940 1.00 23.34 C ATOM 210 CE2 TYR A 13 -21.069 -19.173 -5.555 1.00 23.05 C ATOM 211 CZ TYR A 13 -21.557 -17.948 -5.960 1.00 44.21 C ATOM 212 OH TYR A 13 -22.699 -17.442 -5.383 1.00 43.20 O ATOM 0 H TYR A 13 -19.396 -18.758 -10.394 1.00 60.15 H new ATOM 0 HA TYR A 13 -17.278 -20.484 -9.544 1.00 70.43 H new ATOM 0 HB2 TYR A 13 -17.636 -20.370 -7.161 1.00 50.43 H new ATOM 0 HB3 TYR A 13 -17.211 -18.768 -7.729 1.00 50.43 H new ATOM 0 HD1 TYR A 13 -19.250 -17.173 -8.281 1.00 74.43 H new ATOM 0 HD2 TYR A 13 -19.541 -20.635 -5.814 1.00 43.23 H new ATOM 0 HE1 TYR A 13 -21.289 -16.269 -7.256 1.00 23.34 H new ATOM 0 HE2 TYR A 13 -21.582 -19.735 -4.788 1.00 23.05 H new ATOM 0 HH TYR A 13 -22.665 -16.463 -5.394 1.00 43.20 H new ATOM 222 N LYS A 14 -19.020 -22.263 -9.086 1.00 55.14 N ATOM 223 CA LYS A 14 -20.027 -23.318 -9.130 1.00 51.34 C ATOM 224 C LYS A 14 -20.297 -23.871 -7.734 1.00 64.43 C ATOM 225 O LYS A 14 -19.657 -24.822 -7.284 1.00 64.03 O ATOM 226 CB LYS A 14 -19.572 -24.445 -10.059 1.00 55.21 C ATOM 227 CG LYS A 14 -20.587 -25.568 -10.194 1.00 44.32 C ATOM 228 CD LYS A 14 -19.907 -26.911 -10.398 1.00 31.52 C ATOM 229 CE LYS A 14 -19.209 -26.985 -11.747 1.00 31.11 C ATOM 230 NZ LYS A 14 -20.182 -27.028 -12.873 1.00 45.11 N ATOM 0 H LYS A 14 -18.073 -22.592 -8.898 1.00 55.14 H new ATOM 0 HA LYS A 14 -20.952 -22.889 -9.516 1.00 51.34 H new ATOM 0 HB2 LYS A 14 -19.367 -24.031 -11.046 1.00 55.21 H new ATOM 0 HB3 LYS A 14 -18.634 -24.857 -9.685 1.00 55.21 H new ATOM 0 HG2 LYS A 14 -21.210 -25.606 -9.300 1.00 44.32 H new ATOM 0 HG3 LYS A 14 -21.249 -25.363 -11.035 1.00 44.32 H new ATOM 0 HD2 LYS A 14 -19.181 -27.077 -9.602 1.00 31.52 H new ATOM 0 HD3 LYS A 14 -20.646 -27.709 -10.326 1.00 31.52 H new ATOM 0 HE2 LYS A 14 -18.555 -26.121 -11.865 1.00 31.11 H new ATOM 0 HE3 LYS A 14 -18.576 -27.872 -11.780 1.00 31.11 H new ATOM 0 HZ1 LYS A 14 -20.026 -27.890 -13.434 1.00 45.11 H new ATOM 0 HZ2 LYS A 14 -21.151 -27.032 -12.495 1.00 45.11 H new ATOM 0 HZ3 LYS A 14 -20.050 -26.192 -13.478 1.00 45.11 H new ATOM 244 N PRO A 15 -21.266 -23.265 -7.034 1.00 2.10 N ATOM 245 CA PRO A 15 -21.643 -23.683 -5.680 1.00 53.22 C ATOM 246 C PRO A 15 -22.344 -25.038 -5.665 1.00 42.54 C ATOM 247 O PRO A 15 -22.537 -25.659 -6.710 1.00 44.52 O ATOM 248 CB PRO A 15 -22.601 -22.580 -5.223 1.00 40.10 C ATOM 249 CG PRO A 15 -23.164 -22.021 -6.483 1.00 42.14 C ATOM 250 CD PRO A 15 -22.069 -22.126 -7.509 1.00 1.14 C ATOM 0 HA PRO A 15 -20.774 -23.806 -5.034 1.00 53.22 H new ATOM 0 HB2 PRO A 15 -23.387 -22.979 -4.581 1.00 40.10 H new ATOM 0 HB3 PRO A 15 -22.079 -21.815 -4.649 1.00 40.10 H new ATOM 0 HG2 PRO A 15 -24.047 -22.578 -6.796 1.00 42.14 H new ATOM 0 HG3 PRO A 15 -23.473 -20.985 -6.346 1.00 42.14 H new ATOM 0 HD2 PRO A 15 -22.469 -22.305 -8.507 1.00 1.14 H new ATOM 0 HD3 PRO A 15 -21.478 -21.212 -7.561 1.00 1.14 H new ATOM 258 N ALA A 16 -22.723 -25.489 -4.475 1.00 32.01 N ATOM 259 CA ALA A 16 -23.405 -26.768 -4.325 1.00 65.41 C ATOM 260 C ALA A 16 -24.808 -26.715 -4.919 1.00 74.40 C ATOM 261 O ALA A 16 -25.337 -25.639 -5.194 1.00 42.51 O ATOM 262 CB ALA A 16 -23.465 -27.166 -2.858 1.00 34.25 C ATOM 0 H ALA A 16 -22.569 -24.988 -3.600 1.00 32.01 H new ATOM 0 HA ALA A 16 -22.836 -27.521 -4.871 1.00 65.41 H new ATOM 0 HB1 ALA A 16 -23.977 -28.123 -2.761 1.00 34.25 H new ATOM 0 HB2 ALA A 16 -22.453 -27.255 -2.463 1.00 34.25 H new ATOM 0 HB3 ALA A 16 -24.008 -26.406 -2.297 1.00 34.25 H new ATOM 268 N LYS A 17 -25.406 -27.886 -5.115 1.00 55.34 N ATOM 269 CA LYS A 17 -26.750 -27.973 -5.676 1.00 71.31 C ATOM 270 C LYS A 17 -27.792 -27.498 -4.670 1.00 33.43 C ATOM 271 O LYS A 17 -27.459 -27.127 -3.544 1.00 70.22 O ATOM 272 CB LYS A 17 -27.054 -29.412 -6.102 1.00 25.01 C ATOM 273 CG LYS A 17 -26.030 -29.992 -7.062 1.00 2.25 C ATOM 274 CD LYS A 17 -26.209 -29.443 -8.467 1.00 74.33 C ATOM 275 CE LYS A 17 -25.300 -30.149 -9.461 1.00 52.23 C ATOM 276 NZ LYS A 17 -25.610 -29.764 -10.866 1.00 72.00 N ATOM 0 H LYS A 17 -24.982 -28.787 -4.894 1.00 55.34 H new ATOM 0 HA LYS A 17 -26.795 -27.324 -6.551 1.00 71.31 H new ATOM 0 HB2 LYS A 17 -27.104 -30.042 -5.214 1.00 25.01 H new ATOM 0 HB3 LYS A 17 -28.037 -29.443 -6.571 1.00 25.01 H new ATOM 0 HG2 LYS A 17 -25.026 -29.763 -6.706 1.00 2.25 H new ATOM 0 HG3 LYS A 17 -26.121 -31.078 -7.080 1.00 2.25 H new ATOM 0 HD2 LYS A 17 -27.248 -29.561 -8.775 1.00 74.33 H new ATOM 0 HD3 LYS A 17 -25.994 -28.374 -8.471 1.00 74.33 H new ATOM 0 HE2 LYS A 17 -24.261 -29.906 -9.239 1.00 52.23 H new ATOM 0 HE3 LYS A 17 -25.407 -31.228 -9.348 1.00 52.23 H new ATOM 0 HZ1 LYS A 17 -24.969 -30.266 -11.513 1.00 72.00 H new ATOM 0 HZ2 LYS A 17 -26.594 -30.018 -11.087 1.00 72.00 H new ATOM 0 HZ3 LYS A 17 -25.484 -28.738 -10.981 1.00 72.00 H new ATOM 290 N SER A 18 -29.057 -27.515 -5.081 1.00 22.14 N ATOM 291 CA SER A 18 -30.147 -27.083 -4.215 1.00 33.42 C ATOM 292 C SER A 18 -31.409 -27.899 -4.484 1.00 41.23 C ATOM 293 O SER A 18 -31.450 -28.718 -5.403 1.00 43.43 O ATOM 294 CB SER A 18 -30.434 -25.596 -4.423 1.00 53.34 C ATOM 295 OG SER A 18 -29.232 -24.855 -4.534 1.00 63.50 O ATOM 0 H SER A 18 -29.351 -27.823 -6.008 1.00 22.14 H new ATOM 0 HA SER A 18 -29.843 -27.245 -3.181 1.00 33.42 H new ATOM 0 HB2 SER A 18 -31.033 -25.461 -5.324 1.00 53.34 H new ATOM 0 HB3 SER A 18 -31.023 -25.216 -3.588 1.00 53.34 H new ATOM 0 HG SER A 18 -29.443 -23.907 -4.668 1.00 63.50 H new ATOM 301 N THR A 19 -32.438 -27.669 -3.674 1.00 33.22 N ATOM 302 CA THR A 19 -33.701 -28.382 -3.822 1.00 63.25 C ATOM 303 C THR A 19 -34.608 -27.688 -4.833 1.00 72.51 C ATOM 304 O THR A 19 -34.376 -26.538 -5.201 1.00 53.44 O ATOM 305 CB THR A 19 -34.443 -28.497 -2.477 1.00 41.54 C ATOM 306 OG1 THR A 19 -34.716 -27.191 -1.956 1.00 21.12 O ATOM 307 CG2 THR A 19 -33.620 -29.287 -1.472 1.00 34.43 C ATOM 0 H THR A 19 -32.421 -26.995 -2.909 1.00 33.22 H new ATOM 0 HA THR A 19 -33.459 -29.382 -4.181 1.00 63.25 H new ATOM 0 HB THR A 19 -35.382 -29.024 -2.648 1.00 41.54 H new ATOM 0 HG1 THR A 19 -35.189 -27.272 -1.102 1.00 21.12 H new ATOM 0 HG21 THR A 19 -34.164 -29.355 -0.530 1.00 34.43 H new ATOM 0 HG22 THR A 19 -33.438 -30.289 -1.859 1.00 34.43 H new ATOM 0 HG23 THR A 19 -32.668 -28.783 -1.306 1.00 34.43 H new ATOM 315 N MET A 20 -35.642 -28.396 -5.276 1.00 71.34 N ATOM 316 CA MET A 20 -36.584 -27.847 -6.243 1.00 75.12 C ATOM 317 C MET A 20 -35.868 -27.423 -7.522 1.00 31.12 C ATOM 318 O MET A 20 -36.139 -26.356 -8.070 1.00 53.03 O ATOM 319 CB MET A 20 -37.328 -26.653 -5.642 1.00 24.11 C ATOM 320 CG MET A 20 -37.928 -26.937 -4.274 1.00 75.24 C ATOM 321 SD MET A 20 -38.971 -25.591 -3.679 1.00 62.43 S ATOM 322 CE MET A 20 -39.244 -26.099 -1.984 1.00 14.00 C ATOM 0 H MET A 20 -35.848 -29.350 -4.981 1.00 71.34 H new ATOM 0 HA MET A 20 -37.304 -28.627 -6.493 1.00 75.12 H new ATOM 0 HB2 MET A 20 -36.641 -25.811 -5.561 1.00 24.11 H new ATOM 0 HB3 MET A 20 -38.124 -26.351 -6.323 1.00 24.11 H new ATOM 0 HG2 MET A 20 -38.517 -27.853 -4.323 1.00 75.24 H new ATOM 0 HG3 MET A 20 -37.125 -27.112 -3.559 1.00 75.24 H new ATOM 0 HE1 MET A 20 -39.874 -25.365 -1.481 1.00 14.00 H new ATOM 0 HE2 MET A 20 -39.737 -27.071 -1.970 1.00 14.00 H new ATOM 0 HE3 MET A 20 -38.287 -26.170 -1.467 1.00 14.00 H new ATOM 332 N GLN A 21 -34.953 -28.266 -7.989 1.00 33.31 N ATOM 333 CA GLN A 21 -34.198 -27.977 -9.202 1.00 70.24 C ATOM 334 C GLN A 21 -34.687 -28.834 -10.366 1.00 44.31 C ATOM 335 O GLN A 21 -35.200 -29.935 -10.166 1.00 24.33 O ATOM 336 CB GLN A 21 -32.706 -28.218 -8.969 1.00 41.31 C ATOM 337 CG GLN A 21 -31.983 -27.022 -8.369 1.00 70.34 C ATOM 338 CD GLN A 21 -30.475 -27.164 -8.425 1.00 24.21 C ATOM 339 OE1 GLN A 21 -29.933 -28.248 -8.208 1.00 34.34 O ATOM 340 NE2 GLN A 21 -29.787 -26.066 -8.717 1.00 34.32 N ATOM 0 H GLN A 21 -34.717 -29.154 -7.546 1.00 33.31 H new ATOM 0 HA GLN A 21 -34.355 -26.929 -9.455 1.00 70.24 H new ATOM 0 HB2 GLN A 21 -32.584 -29.075 -8.307 1.00 41.31 H new ATOM 0 HB3 GLN A 21 -32.236 -28.478 -9.917 1.00 41.31 H new ATOM 0 HG2 GLN A 21 -32.279 -26.118 -8.902 1.00 70.34 H new ATOM 0 HG3 GLN A 21 -32.294 -26.897 -7.332 1.00 70.34 H new ATOM 0 HE21 GLN A 21 -30.277 -25.188 -8.890 1.00 34.32 H new ATOM 0 HE22 GLN A 21 -28.769 -26.101 -8.768 1.00 34.32 H new ATOM 349 N SER A 22 -34.525 -28.320 -11.581 1.00 33.51 N ATOM 350 CA SER A 22 -34.955 -29.037 -12.776 1.00 71.14 C ATOM 351 C SER A 22 -36.459 -29.293 -12.746 1.00 24.30 C ATOM 352 O SER A 22 -36.918 -30.392 -13.055 1.00 13.32 O ATOM 353 CB SER A 22 -34.202 -30.364 -12.900 1.00 13.44 C ATOM 354 OG SER A 22 -32.904 -30.268 -12.340 1.00 2.55 O ATOM 0 H SER A 22 -34.100 -27.411 -11.764 1.00 33.51 H new ATOM 0 HA SER A 22 -34.728 -28.416 -13.643 1.00 71.14 H new ATOM 0 HB2 SER A 22 -34.762 -31.152 -12.396 1.00 13.44 H new ATOM 0 HB3 SER A 22 -34.128 -30.647 -13.950 1.00 13.44 H new ATOM 0 HG SER A 22 -32.444 -31.129 -12.430 1.00 2.55 H new ATOM 360 N GLY A 23 -37.219 -28.269 -12.371 1.00 0.01 N ATOM 361 CA GLY A 23 -38.663 -28.402 -12.306 1.00 21.43 C ATOM 362 C GLY A 23 -39.370 -27.571 -13.358 1.00 10.31 C ATOM 363 O GLY A 23 -39.524 -28.003 -14.501 1.00 14.03 O ATOM 0 H GLY A 23 -36.861 -27.350 -12.111 1.00 0.01 H new ATOM 0 HA2 GLY A 23 -38.934 -29.450 -12.433 1.00 21.43 H new ATOM 0 HA3 GLY A 23 -39.008 -28.101 -11.317 1.00 21.43 H new ATOM 367 N HIS A 24 -39.803 -26.375 -12.972 1.00 63.43 N ATOM 368 CA HIS A 24 -40.499 -25.481 -13.891 1.00 4.15 C ATOM 369 C HIS A 24 -39.844 -24.103 -13.907 1.00 5.14 C ATOM 370 O HIS A 24 -40.522 -23.085 -14.048 1.00 12.41 O ATOM 371 CB HIS A 24 -41.970 -25.355 -13.496 1.00 61.32 C ATOM 372 CG HIS A 24 -42.177 -25.009 -12.054 1.00 25.20 C ATOM 373 ND1 HIS A 24 -42.267 -25.958 -11.058 1.00 22.12 N ATOM 374 CD2 HIS A 24 -42.307 -23.809 -11.441 1.00 74.02 C ATOM 375 CE1 HIS A 24 -42.447 -25.358 -9.896 1.00 3.24 C ATOM 376 NE2 HIS A 24 -42.475 -24.053 -10.100 1.00 21.14 N ATOM 0 H HIS A 24 -39.684 -26.003 -12.030 1.00 63.43 H new ATOM 0 HA HIS A 24 -40.435 -25.906 -14.893 1.00 4.15 H new ATOM 0 HB2 HIS A 24 -42.439 -24.591 -14.115 1.00 61.32 H new ATOM 0 HB3 HIS A 24 -42.477 -26.295 -13.712 1.00 61.32 H new ATOM 0 HD2 HIS A 24 -42.283 -22.840 -11.918 1.00 74.02 H new ATOM 0 HE1 HIS A 24 -42.553 -25.850 -8.941 1.00 3.24 H new ATOM 0 HE2 HIS A 24 -42.601 -23.343 -9.379 1.00 21.14 H new ATOM 384 N SER A 25 -38.523 -24.078 -13.761 1.00 3.41 N ATOM 385 CA SER A 25 -37.778 -22.825 -13.755 1.00 3.50 C ATOM 386 C SER A 25 -36.576 -22.902 -14.690 1.00 43.32 C ATOM 387 O SER A 25 -36.229 -23.973 -15.187 1.00 70.35 O ATOM 388 CB SER A 25 -37.314 -22.489 -12.336 1.00 31.45 C ATOM 389 OG SER A 25 -37.149 -21.092 -12.169 1.00 34.01 O ATOM 0 H SER A 25 -37.947 -24.912 -13.645 1.00 3.41 H new ATOM 0 HA SER A 25 -38.441 -22.036 -14.109 1.00 3.50 H new ATOM 0 HB2 SER A 25 -38.042 -22.861 -11.615 1.00 31.45 H new ATOM 0 HB3 SER A 25 -36.372 -22.997 -12.129 1.00 31.45 H new ATOM 0 HG SER A 25 -36.854 -20.905 -11.253 1.00 34.01 H new ATOM 395 N LYS A 26 -35.943 -21.758 -14.927 1.00 11.14 N ATOM 396 CA LYS A 26 -34.778 -21.693 -15.802 1.00 23.22 C ATOM 397 C LYS A 26 -33.669 -22.610 -15.298 1.00 63.41 C ATOM 398 O LYS A 26 -33.608 -22.935 -14.111 1.00 73.35 O ATOM 399 CB LYS A 26 -34.263 -20.255 -15.894 1.00 70.33 C ATOM 400 CG LYS A 26 -34.925 -19.442 -16.993 1.00 74.44 C ATOM 401 CD LYS A 26 -34.595 -17.964 -16.869 1.00 2.15 C ATOM 402 CE LYS A 26 -33.099 -17.715 -16.989 1.00 33.10 C ATOM 403 NZ LYS A 26 -32.566 -18.167 -18.304 1.00 22.43 N ATOM 0 H LYS A 26 -36.218 -20.862 -14.525 1.00 11.14 H new ATOM 0 HA LYS A 26 -35.080 -22.028 -16.794 1.00 23.22 H new ATOM 0 HB2 LYS A 26 -34.425 -19.758 -14.938 1.00 70.33 H new ATOM 0 HB3 LYS A 26 -33.187 -20.273 -16.065 1.00 70.33 H new ATOM 0 HG2 LYS A 26 -34.597 -19.809 -17.966 1.00 74.44 H new ATOM 0 HG3 LYS A 26 -36.005 -19.580 -16.948 1.00 74.44 H new ATOM 0 HD2 LYS A 26 -35.121 -17.406 -17.644 1.00 2.15 H new ATOM 0 HD3 LYS A 26 -34.951 -17.590 -15.909 1.00 2.15 H new ATOM 0 HE2 LYS A 26 -32.896 -16.652 -16.861 1.00 33.10 H new ATOM 0 HE3 LYS A 26 -32.578 -18.238 -16.187 1.00 33.10 H new ATOM 0 HZ1 LYS A 26 -31.600 -17.802 -18.431 1.00 22.43 H new ATOM 0 HZ2 LYS A 26 -32.550 -19.206 -18.333 1.00 22.43 H new ATOM 0 HZ3 LYS A 26 -33.175 -17.808 -19.067 1.00 22.43 H new ATOM 417 N LEU A 27 -32.791 -23.023 -16.206 1.00 74.42 N ATOM 418 CA LEU A 27 -31.681 -23.903 -15.853 1.00 51.00 C ATOM 419 C LEU A 27 -30.458 -23.094 -15.433 1.00 52.12 C ATOM 420 O LEU A 27 -30.070 -22.140 -16.108 1.00 44.41 O ATOM 421 CB LEU A 27 -31.328 -24.808 -17.034 1.00 24.23 C ATOM 422 CG LEU A 27 -32.120 -26.112 -17.141 1.00 61.04 C ATOM 423 CD1 LEU A 27 -33.465 -25.865 -17.808 1.00 24.34 C ATOM 424 CD2 LEU A 27 -31.325 -27.158 -17.909 1.00 42.13 C ATOM 0 H LEU A 27 -32.826 -22.763 -17.192 1.00 74.42 H new ATOM 0 HA LEU A 27 -31.992 -24.521 -15.010 1.00 51.00 H new ATOM 0 HB2 LEU A 27 -31.472 -24.243 -17.955 1.00 24.23 H new ATOM 0 HB3 LEU A 27 -30.268 -25.054 -16.973 1.00 24.23 H new ATOM 0 HG LEU A 27 -32.300 -26.490 -16.135 1.00 61.04 H new ATOM 0 HD11 LEU A 27 -34.015 -26.803 -17.876 1.00 24.34 H new ATOM 0 HD12 LEU A 27 -34.038 -25.150 -17.217 1.00 24.34 H new ATOM 0 HD13 LEU A 27 -33.306 -25.464 -18.809 1.00 24.34 H new ATOM 0 HD21 LEU A 27 -31.904 -28.079 -17.975 1.00 42.13 H new ATOM 0 HD22 LEU A 27 -31.113 -26.790 -18.913 1.00 42.13 H new ATOM 0 HD23 LEU A 27 -30.387 -27.356 -17.390 1.00 42.13 H new ATOM 436 N LYS A 28 -29.853 -23.483 -14.316 1.00 44.35 N ATOM 437 CA LYS A 28 -28.671 -22.796 -13.808 1.00 14.03 C ATOM 438 C LYS A 28 -27.676 -23.791 -13.221 1.00 23.45 C ATOM 439 O LYS A 28 -28.010 -24.563 -12.323 1.00 60.21 O ATOM 440 CB LYS A 28 -29.070 -21.771 -12.744 1.00 60.21 C ATOM 441 CG LYS A 28 -29.853 -20.594 -13.298 1.00 51.42 C ATOM 442 CD LYS A 28 -31.349 -20.863 -13.284 1.00 41.20 C ATOM 443 CE LYS A 28 -31.982 -20.425 -11.972 1.00 23.22 C ATOM 444 NZ LYS A 28 -33.329 -21.028 -11.778 1.00 53.41 N ATOM 0 H LYS A 28 -30.161 -24.270 -13.745 1.00 44.35 H new ATOM 0 HA LYS A 28 -28.195 -22.279 -14.641 1.00 14.03 H new ATOM 0 HB2 LYS A 28 -29.668 -22.267 -11.980 1.00 60.21 H new ATOM 0 HB3 LYS A 28 -28.170 -21.400 -12.254 1.00 60.21 H new ATOM 0 HG2 LYS A 28 -29.637 -19.703 -12.709 1.00 51.42 H new ATOM 0 HG3 LYS A 28 -29.529 -20.388 -14.318 1.00 51.42 H new ATOM 0 HD2 LYS A 28 -31.822 -20.335 -14.112 1.00 41.20 H new ATOM 0 HD3 LYS A 28 -31.530 -21.927 -13.439 1.00 41.20 H new ATOM 0 HE2 LYS A 28 -31.334 -20.710 -11.143 1.00 23.22 H new ATOM 0 HE3 LYS A 28 -32.064 -19.338 -11.953 1.00 23.22 H new ATOM 0 HZ1 LYS A 28 -34.049 -20.277 -11.780 1.00 53.41 H new ATOM 0 HZ2 LYS A 28 -33.524 -21.697 -12.550 1.00 53.41 H new ATOM 0 HZ3 LYS A 28 -33.356 -21.531 -10.868 1.00 53.41 H new ATOM 458 N ALA A 29 -26.449 -23.766 -13.733 1.00 20.41 N ATOM 459 CA ALA A 29 -25.404 -24.664 -13.258 1.00 2.15 C ATOM 460 C ALA A 29 -24.249 -23.883 -12.642 1.00 22.51 C ATOM 461 O ALA A 29 -23.589 -24.358 -11.716 1.00 54.44 O ATOM 462 CB ALA A 29 -24.904 -25.542 -14.395 1.00 62.12 C ATOM 0 H ALA A 29 -26.155 -23.133 -14.477 1.00 20.41 H new ATOM 0 HA ALA A 29 -25.831 -25.302 -12.484 1.00 2.15 H new ATOM 0 HB1 ALA A 29 -24.124 -26.207 -14.025 1.00 62.12 H new ATOM 0 HB2 ALA A 29 -25.730 -26.135 -14.787 1.00 62.12 H new ATOM 0 HB3 ALA A 29 -24.499 -24.914 -15.189 1.00 62.12 H new ATOM 468 N TRP A 30 -24.007 -22.685 -13.161 1.00 61.11 N ATOM 469 CA TRP A 30 -22.930 -21.838 -12.661 1.00 64.35 C ATOM 470 C TRP A 30 -23.478 -20.528 -12.107 1.00 74.03 C ATOM 471 O TRP A 30 -24.551 -20.074 -12.508 1.00 2.02 O ATOM 472 CB TRP A 30 -21.921 -21.552 -13.775 1.00 63.53 C ATOM 473 CG TRP A 30 -21.061 -22.733 -14.115 1.00 42.13 C ATOM 474 CD1 TRP A 30 -21.402 -23.795 -14.902 1.00 11.31 C ATOM 475 CD2 TRP A 30 -19.719 -22.970 -13.677 1.00 72.30 C ATOM 476 NE1 TRP A 30 -20.353 -24.680 -14.979 1.00 42.54 N ATOM 477 CE2 TRP A 30 -19.308 -24.195 -14.237 1.00 2.10 C ATOM 478 CE3 TRP A 30 -18.823 -22.266 -12.867 1.00 54.53 C ATOM 479 CZ2 TRP A 30 -18.043 -24.729 -14.012 1.00 23.42 C ATOM 480 CZ3 TRP A 30 -17.567 -22.798 -12.644 1.00 72.21 C ATOM 481 CH2 TRP A 30 -17.186 -24.019 -13.215 1.00 23.24 C ATOM 0 H TRP A 30 -24.542 -22.278 -13.928 1.00 61.11 H new ATOM 0 HA TRP A 30 -22.429 -22.370 -11.852 1.00 64.35 H new ATOM 0 HB2 TRP A 30 -22.458 -21.233 -14.669 1.00 63.53 H new ATOM 0 HB3 TRP A 30 -21.283 -20.722 -13.473 1.00 63.53 H new ATOM 0 HD1 TRP A 30 -22.356 -23.921 -15.392 1.00 11.31 H new ATOM 0 HE1 TRP A 30 -20.353 -25.555 -15.503 1.00 42.54 H new ATOM 0 HE3 TRP A 30 -19.107 -21.323 -12.423 1.00 54.53 H new ATOM 0 HZ2 TRP A 30 -17.748 -25.671 -14.451 1.00 23.42 H new ATOM 0 HZ3 TRP A 30 -16.867 -22.263 -12.019 1.00 72.21 H new ATOM 0 HH2 TRP A 30 -16.197 -24.408 -13.023 1.00 23.24 H new ATOM 492 N LYS A 31 -22.737 -19.924 -11.184 1.00 71.43 N ATOM 493 CA LYS A 31 -23.148 -18.666 -10.576 1.00 54.43 C ATOM 494 C LYS A 31 -22.208 -17.534 -10.977 1.00 42.12 C ATOM 495 O LYS A 31 -20.992 -17.719 -11.044 1.00 44.53 O ATOM 496 CB LYS A 31 -23.183 -18.798 -9.052 1.00 72.21 C ATOM 497 CG LYS A 31 -24.068 -17.770 -8.371 1.00 14.32 C ATOM 498 CD LYS A 31 -25.359 -18.391 -7.867 1.00 33.04 C ATOM 499 CE LYS A 31 -26.416 -17.333 -7.586 1.00 63.22 C ATOM 500 NZ LYS A 31 -27.702 -17.937 -7.144 1.00 35.22 N ATOM 0 H LYS A 31 -21.848 -20.287 -10.841 1.00 71.43 H new ATOM 0 HA LYS A 31 -24.149 -18.429 -10.937 1.00 54.43 H new ATOM 0 HB2 LYS A 31 -23.534 -19.796 -8.791 1.00 72.21 H new ATOM 0 HB3 LYS A 31 -22.168 -18.705 -8.665 1.00 72.21 H new ATOM 0 HG2 LYS A 31 -23.529 -17.321 -7.537 1.00 14.32 H new ATOM 0 HG3 LYS A 31 -24.299 -16.967 -9.071 1.00 14.32 H new ATOM 0 HD2 LYS A 31 -25.737 -19.097 -8.607 1.00 33.04 H new ATOM 0 HD3 LYS A 31 -25.160 -18.958 -6.958 1.00 33.04 H new ATOM 0 HE2 LYS A 31 -26.052 -16.651 -6.817 1.00 63.22 H new ATOM 0 HE3 LYS A 31 -26.584 -16.740 -8.485 1.00 63.22 H new ATOM 0 HZ1 LYS A 31 -28.395 -17.183 -6.963 1.00 35.22 H new ATOM 0 HZ2 LYS A 31 -28.063 -18.568 -7.888 1.00 35.22 H new ATOM 0 HZ3 LYS A 31 -27.548 -18.482 -6.272 1.00 35.22 H new ATOM 514 N LEU A 32 -22.776 -16.363 -11.241 1.00 72.30 N ATOM 515 CA LEU A 32 -21.987 -15.200 -11.634 1.00 60.32 C ATOM 516 C LEU A 32 -22.446 -13.953 -10.885 1.00 63.31 C ATOM 517 O LEU A 32 -23.621 -13.592 -10.923 1.00 13.10 O ATOM 518 CB LEU A 32 -22.096 -14.972 -13.142 1.00 62.32 C ATOM 519 CG LEU A 32 -21.335 -13.767 -13.696 1.00 44.30 C ATOM 520 CD1 LEU A 32 -22.158 -12.498 -13.541 1.00 14.21 C ATOM 521 CD2 LEU A 32 -19.990 -13.620 -12.999 1.00 25.14 C ATOM 0 H LEU A 32 -23.780 -16.193 -11.190 1.00 72.30 H new ATOM 0 HA LEU A 32 -20.946 -15.394 -11.376 1.00 60.32 H new ATOM 0 HB2 LEU A 32 -21.739 -15.867 -13.651 1.00 62.32 H new ATOM 0 HB3 LEU A 32 -23.150 -14.859 -13.397 1.00 62.32 H new ATOM 0 HG LEU A 32 -21.156 -13.932 -14.758 1.00 44.30 H new ATOM 0 HD11 LEU A 32 -21.600 -11.651 -13.941 1.00 14.21 H new ATOM 0 HD12 LEU A 32 -23.096 -12.604 -14.086 1.00 14.21 H new ATOM 0 HD13 LEU A 32 -22.369 -12.328 -12.485 1.00 14.21 H new ATOM 0 HD21 LEU A 32 -19.462 -12.758 -13.406 1.00 25.14 H new ATOM 0 HD22 LEU A 32 -20.148 -13.478 -11.930 1.00 25.14 H new ATOM 0 HD23 LEU A 32 -19.396 -14.519 -13.162 1.00 25.14 H new ATOM 533 N GLU A 33 -21.508 -13.297 -10.208 1.00 32.23 N ATOM 534 CA GLU A 33 -21.816 -12.089 -9.451 1.00 72.24 C ATOM 535 C GLU A 33 -20.858 -10.960 -9.817 1.00 71.15 C ATOM 536 O GLU A 33 -19.700 -10.954 -9.401 1.00 62.21 O ATOM 537 CB GLU A 33 -21.743 -12.369 -7.949 1.00 61.44 C ATOM 538 CG GLU A 33 -22.505 -13.613 -7.523 1.00 62.11 C ATOM 539 CD GLU A 33 -22.689 -13.698 -6.021 1.00 62.40 C ATOM 540 OE1 GLU A 33 -22.712 -12.636 -5.365 1.00 55.30 O ATOM 541 OE2 GLU A 33 -22.810 -14.827 -5.501 1.00 11.02 O ATOM 0 H GLU A 33 -20.529 -13.582 -10.168 1.00 32.23 H new ATOM 0 HA GLU A 33 -22.830 -11.779 -9.706 1.00 72.24 H new ATOM 0 HB2 GLU A 33 -20.698 -12.476 -7.659 1.00 61.44 H new ATOM 0 HB3 GLU A 33 -22.137 -11.509 -7.408 1.00 61.44 H new ATOM 0 HG2 GLU A 33 -23.482 -13.619 -8.006 1.00 62.11 H new ATOM 0 HG3 GLU A 33 -21.972 -14.498 -7.871 1.00 62.11 H new ATOM 548 N PHE A 34 -21.350 -10.004 -10.599 1.00 35.21 N ATOM 549 CA PHE A 34 -20.538 -8.869 -11.023 1.00 35.42 C ATOM 550 C PHE A 34 -20.641 -7.723 -10.021 1.00 62.21 C ATOM 551 O PHE A 34 -21.723 -7.419 -9.519 1.00 33.43 O ATOM 552 CB PHE A 34 -20.977 -8.391 -12.408 1.00 42.23 C ATOM 553 CG PHE A 34 -22.369 -7.828 -12.437 1.00 3.25 C ATOM 554 CD1 PHE A 34 -23.459 -8.652 -12.667 1.00 2.15 C ATOM 555 CD2 PHE A 34 -22.588 -6.475 -12.232 1.00 62.13 C ATOM 556 CE1 PHE A 34 -24.741 -8.137 -12.693 1.00 30.25 C ATOM 557 CE2 PHE A 34 -23.867 -5.955 -12.256 1.00 53.51 C ATOM 558 CZ PHE A 34 -24.946 -6.787 -12.488 1.00 52.42 C ATOM 0 H PHE A 34 -22.307 -9.993 -10.952 1.00 35.21 H new ATOM 0 HA PHE A 34 -19.499 -9.195 -11.071 1.00 35.42 H new ATOM 0 HB2 PHE A 34 -20.279 -7.631 -12.759 1.00 42.23 H new ATOM 0 HB3 PHE A 34 -20.917 -9.225 -13.107 1.00 42.23 H new ATOM 0 HD1 PHE A 34 -23.305 -9.709 -12.828 1.00 2.15 H new ATOM 0 HD2 PHE A 34 -21.749 -5.820 -12.051 1.00 62.13 H new ATOM 0 HE1 PHE A 34 -25.582 -8.790 -12.874 1.00 30.25 H new ATOM 0 HE2 PHE A 34 -24.024 -4.899 -12.094 1.00 53.51 H new ATOM 0 HZ PHE A 34 -25.947 -6.382 -12.509 1.00 52.42 H new ATOM 568 N GLU A 35 -19.507 -7.091 -9.735 1.00 20.31 N ATOM 569 CA GLU A 35 -19.469 -5.980 -8.793 1.00 2.12 C ATOM 570 C GLU A 35 -20.207 -4.767 -9.351 1.00 51.22 C ATOM 571 O GLU A 35 -20.429 -4.644 -10.556 1.00 61.54 O ATOM 572 CB GLU A 35 -18.021 -5.605 -8.470 1.00 10.03 C ATOM 573 CG GLU A 35 -17.500 -6.236 -7.190 1.00 23.23 C ATOM 574 CD GLU A 35 -16.914 -7.616 -7.417 1.00 51.12 C ATOM 575 OE1 GLU A 35 -17.449 -8.356 -8.269 1.00 14.54 O ATOM 576 OE2 GLU A 35 -15.920 -7.956 -6.742 1.00 63.41 O ATOM 0 H GLU A 35 -18.603 -7.330 -10.142 1.00 20.31 H new ATOM 0 HA GLU A 35 -19.968 -6.297 -7.877 1.00 2.12 H new ATOM 0 HB2 GLU A 35 -17.382 -5.907 -9.300 1.00 10.03 H new ATOM 0 HB3 GLU A 35 -17.945 -4.521 -8.388 1.00 10.03 H new ATOM 0 HG2 GLU A 35 -16.739 -5.589 -6.754 1.00 23.23 H new ATOM 0 HG3 GLU A 35 -18.312 -6.305 -6.466 1.00 23.23 H new ATOM 583 N PRO A 36 -20.599 -3.848 -8.456 1.00 25.54 N ATOM 584 CA PRO A 36 -21.318 -2.628 -8.835 1.00 71.21 C ATOM 585 C PRO A 36 -20.434 -1.648 -9.600 1.00 72.41 C ATOM 586 O PRO A 36 -19.318 -1.347 -9.181 1.00 25.03 O ATOM 587 CB PRO A 36 -21.737 -2.031 -7.489 1.00 74.41 C ATOM 588 CG PRO A 36 -20.742 -2.557 -6.514 1.00 72.43 C ATOM 589 CD PRO A 36 -20.368 -3.929 -7.003 1.00 51.32 C ATOM 0 HA PRO A 36 -22.154 -2.838 -9.503 1.00 71.21 H new ATOM 0 HB2 PRO A 36 -21.724 -0.941 -7.518 1.00 74.41 H new ATOM 0 HB3 PRO A 36 -22.750 -2.331 -7.221 1.00 74.41 H new ATOM 0 HG2 PRO A 36 -19.867 -1.909 -6.462 1.00 72.43 H new ATOM 0 HG3 PRO A 36 -21.165 -2.602 -5.511 1.00 72.43 H new ATOM 0 HD2 PRO A 36 -19.330 -4.168 -6.774 1.00 51.32 H new ATOM 0 HD3 PRO A 36 -20.982 -4.702 -6.541 1.00 51.32 H new ATOM 597 N SER A 37 -20.943 -1.155 -10.725 1.00 30.13 N ATOM 598 CA SER A 37 -20.198 -0.211 -11.550 1.00 62.33 C ATOM 599 C SER A 37 -20.826 1.178 -11.488 1.00 21.11 C ATOM 600 O SER A 37 -21.916 1.355 -10.943 1.00 11.03 O ATOM 601 CB SER A 37 -20.150 -0.697 -13.000 1.00 73.13 C ATOM 602 OG SER A 37 -21.252 -0.201 -13.741 1.00 40.14 O ATOM 0 H SER A 37 -21.867 -1.393 -11.086 1.00 30.13 H new ATOM 0 HA SER A 37 -19.182 -0.149 -11.161 1.00 62.33 H new ATOM 0 HB2 SER A 37 -19.219 -0.372 -13.465 1.00 73.13 H new ATOM 0 HB3 SER A 37 -20.154 -1.787 -13.022 1.00 73.13 H new ATOM 0 HG SER A 37 -21.197 -0.524 -14.664 1.00 40.14 H new ATOM 608 N CYS A 38 -20.129 2.160 -12.049 1.00 31.20 N ATOM 609 CA CYS A 38 -20.617 3.535 -12.057 1.00 65.43 C ATOM 610 C CYS A 38 -21.451 3.809 -13.305 1.00 34.43 C ATOM 611 O CYS A 38 -21.050 4.578 -14.178 1.00 31.33 O ATOM 612 CB CYS A 38 -19.444 4.514 -11.989 1.00 65.44 C ATOM 613 SG CYS A 38 -18.883 4.878 -10.311 1.00 3.45 S ATOM 0 H CYS A 38 -19.225 2.030 -12.504 1.00 31.20 H new ATOM 0 HA CYS A 38 -21.250 3.675 -11.181 1.00 65.43 H new ATOM 0 HB2 CYS A 38 -18.610 4.105 -12.559 1.00 65.44 H new ATOM 0 HB3 CYS A 38 -19.734 5.446 -12.474 1.00 65.44 H new ATOM 0 HG CYS A 38 -17.887 5.713 -10.358 1.00 3.45 H new ATOM 619 N THR A 39 -22.616 3.171 -13.382 1.00 14.10 N ATOM 620 CA THR A 39 -23.507 3.343 -14.522 1.00 71.22 C ATOM 621 C THR A 39 -24.208 4.696 -14.473 1.00 51.34 C ATOM 622 O THR A 39 -24.116 5.417 -13.480 1.00 64.55 O ATOM 623 CB THR A 39 -24.569 2.228 -14.579 1.00 44.41 C ATOM 624 OG1 THR A 39 -25.464 2.348 -13.467 1.00 40.32 O ATOM 625 CG2 THR A 39 -23.914 0.856 -14.563 1.00 52.43 C ATOM 0 H THR A 39 -22.963 2.531 -12.668 1.00 14.10 H new ATOM 0 HA THR A 39 -22.888 3.290 -15.418 1.00 71.22 H new ATOM 0 HB THR A 39 -25.128 2.335 -15.509 1.00 44.41 H new ATOM 0 HG1 THR A 39 -26.137 1.637 -13.511 1.00 40.32 H new ATOM 0 HG21 THR A 39 -24.683 0.085 -14.604 1.00 52.43 H new ATOM 0 HG22 THR A 39 -23.255 0.757 -15.426 1.00 52.43 H new ATOM 0 HG23 THR A 39 -23.333 0.741 -13.648 1.00 52.43 H new ATOM 633 N GLN A 40 -24.909 5.033 -15.550 1.00 74.43 N ATOM 634 CA GLN A 40 -25.627 6.300 -15.629 1.00 5.20 C ATOM 635 C GLN A 40 -27.101 6.073 -15.949 1.00 23.12 C ATOM 636 O GLN A 40 -27.719 6.859 -16.666 1.00 44.31 O ATOM 637 CB GLN A 40 -24.996 7.202 -16.691 1.00 1.20 C ATOM 638 CG GLN A 40 -25.173 8.686 -16.412 1.00 52.15 C ATOM 639 CD GLN A 40 -24.570 9.107 -15.087 1.00 14.35 C ATOM 640 OE1 GLN A 40 -23.401 8.836 -14.809 1.00 53.54 O ATOM 641 NE2 GLN A 40 -25.367 9.773 -14.258 1.00 44.55 N ATOM 0 H GLN A 40 -24.995 4.447 -16.380 1.00 74.43 H new ATOM 0 HA GLN A 40 -25.557 6.789 -14.657 1.00 5.20 H new ATOM 0 HB2 GLN A 40 -23.931 6.978 -16.760 1.00 1.20 H new ATOM 0 HB3 GLN A 40 -25.434 6.968 -17.661 1.00 1.20 H new ATOM 0 HG2 GLN A 40 -24.712 9.260 -17.215 1.00 52.15 H new ATOM 0 HG3 GLN A 40 -26.236 8.928 -16.416 1.00 52.15 H new ATOM 0 HE21 GLN A 40 -26.329 9.976 -14.529 1.00 44.55 H new ATOM 0 HE22 GLN A 40 -25.017 10.081 -13.351 1.00 44.55 H new ATOM 650 N TYR A 41 -27.657 4.992 -15.413 1.00 1.04 N ATOM 651 CA TYR A 41 -29.058 4.659 -15.644 1.00 3.12 C ATOM 652 C TYR A 41 -29.319 4.396 -17.123 1.00 63.04 C ATOM 653 O TYR A 41 -30.376 4.742 -17.651 1.00 70.33 O ATOM 654 CB TYR A 41 -29.961 5.791 -15.149 1.00 44.12 C ATOM 655 CG TYR A 41 -31.316 5.320 -14.675 1.00 14.34 C ATOM 656 CD1 TYR A 41 -31.430 4.323 -13.713 1.00 53.24 C ATOM 657 CD2 TYR A 41 -32.484 5.871 -15.188 1.00 41.23 C ATOM 658 CE1 TYR A 41 -32.668 3.890 -13.277 1.00 60.33 C ATOM 659 CE2 TYR A 41 -33.725 5.444 -14.758 1.00 15.33 C ATOM 660 CZ TYR A 41 -33.812 4.453 -13.802 1.00 64.12 C ATOM 661 OH TYR A 41 -35.046 4.024 -13.371 1.00 54.33 O ATOM 0 H TYR A 41 -27.159 4.332 -14.816 1.00 1.04 H new ATOM 0 HA TYR A 41 -29.286 3.750 -15.086 1.00 3.12 H new ATOM 0 HB2 TYR A 41 -29.461 6.313 -14.333 1.00 44.12 H new ATOM 0 HB3 TYR A 41 -30.098 6.514 -15.953 1.00 44.12 H new ATOM 0 HD1 TYR A 41 -30.536 3.879 -13.299 1.00 53.24 H new ATOM 0 HD2 TYR A 41 -32.420 6.647 -15.936 1.00 41.23 H new ATOM 0 HE1 TYR A 41 -32.739 3.114 -12.529 1.00 60.33 H new ATOM 0 HE2 TYR A 41 -34.622 5.883 -15.168 1.00 15.33 H new ATOM 0 HH TYR A 41 -35.748 4.523 -13.839 1.00 54.33 H new ATOM 671 N THR A 42 -28.346 3.779 -17.788 1.00 33.33 N ATOM 672 CA THR A 42 -28.469 3.468 -19.207 1.00 62.11 C ATOM 673 C THR A 42 -28.271 1.979 -19.462 1.00 65.12 C ATOM 674 O THR A 42 -27.260 1.566 -20.031 1.00 50.42 O ATOM 675 CB THR A 42 -27.449 4.261 -20.046 1.00 2.01 C ATOM 676 OG1 THR A 42 -27.306 5.586 -19.519 1.00 21.44 O ATOM 677 CG2 THR A 42 -27.885 4.333 -21.501 1.00 44.24 C ATOM 0 H THR A 42 -27.465 3.485 -17.366 1.00 33.33 H new ATOM 0 HA THR A 42 -29.477 3.755 -19.508 1.00 62.11 H new ATOM 0 HB THR A 42 -26.490 3.745 -19.996 1.00 2.01 H new ATOM 0 HG1 THR A 42 -26.655 6.083 -20.057 1.00 21.44 H new ATOM 0 HG21 THR A 42 -27.149 4.898 -22.074 1.00 44.24 H new ATOM 0 HG22 THR A 42 -27.965 3.325 -21.907 1.00 44.24 H new ATOM 0 HG23 THR A 42 -28.854 4.828 -21.566 1.00 44.24 H new ATOM 685 N GLU A 43 -29.241 1.175 -19.039 1.00 11.31 N ATOM 686 CA GLU A 43 -29.172 -0.269 -19.223 1.00 73.13 C ATOM 687 C GLU A 43 -30.429 -0.791 -19.915 1.00 22.21 C ATOM 688 O GLU A 43 -31.277 -1.443 -19.306 1.00 72.41 O ATOM 689 CB GLU A 43 -28.991 -0.969 -17.874 1.00 31.12 C ATOM 690 CG GLU A 43 -28.314 -2.325 -17.978 1.00 31.42 C ATOM 691 CD GLU A 43 -28.383 -3.113 -16.684 1.00 45.34 C ATOM 692 OE1 GLU A 43 -29.450 -3.097 -16.037 1.00 52.43 O ATOM 693 OE2 GLU A 43 -27.369 -3.744 -16.319 1.00 34.42 O ATOM 0 H GLU A 43 -30.084 1.500 -18.566 1.00 11.31 H new ATOM 0 HA GLU A 43 -28.312 -0.488 -19.856 1.00 73.13 H new ATOM 0 HB2 GLU A 43 -28.403 -0.328 -17.218 1.00 31.12 H new ATOM 0 HB3 GLU A 43 -29.967 -1.095 -17.406 1.00 31.12 H new ATOM 0 HG2 GLU A 43 -28.784 -2.901 -18.775 1.00 31.42 H new ATOM 0 HG3 GLU A 43 -27.270 -2.185 -18.258 1.00 31.42 H new ATOM 700 N PRO A 44 -30.552 -0.496 -21.218 1.00 22.44 N ATOM 701 CA PRO A 44 -31.700 -0.925 -22.021 1.00 22.03 C ATOM 702 C PRO A 44 -31.711 -2.431 -22.260 1.00 3.32 C ATOM 703 O PRO A 44 -30.657 -3.058 -22.379 1.00 52.13 O ATOM 704 CB PRO A 44 -31.509 -0.175 -23.342 1.00 3.42 C ATOM 705 CG PRO A 44 -30.044 0.082 -23.423 1.00 2.00 C ATOM 706 CD PRO A 44 -29.578 0.278 -22.007 1.00 15.34 C ATOM 0 HA PRO A 44 -32.647 -0.710 -21.526 1.00 22.03 H new ATOM 0 HB2 PRO A 44 -31.854 -0.769 -24.188 1.00 3.42 H new ATOM 0 HB3 PRO A 44 -32.076 0.756 -23.354 1.00 3.42 H new ATOM 0 HG2 PRO A 44 -29.526 -0.755 -23.892 1.00 2.00 H new ATOM 0 HG3 PRO A 44 -29.836 0.964 -24.028 1.00 2.00 H new ATOM 0 HD2 PRO A 44 -28.562 -0.089 -21.864 1.00 15.34 H new ATOM 0 HD3 PRO A 44 -29.579 1.331 -21.726 1.00 15.34 H new ATOM 714 N LEU A 45 -32.906 -3.006 -22.329 1.00 60.13 N ATOM 715 CA LEU A 45 -33.053 -4.440 -22.555 1.00 43.33 C ATOM 716 C LEU A 45 -33.802 -4.712 -23.856 1.00 2.11 C ATOM 717 O LEU A 45 -34.119 -3.789 -24.606 1.00 33.24 O ATOM 718 CB LEU A 45 -33.792 -5.088 -21.383 1.00 65.03 C ATOM 719 CG LEU A 45 -35.206 -4.572 -21.114 1.00 32.42 C ATOM 720 CD1 LEU A 45 -36.059 -5.663 -20.485 1.00 54.24 C ATOM 721 CD2 LEU A 45 -35.165 -3.342 -20.220 1.00 25.03 C ATOM 0 H LEU A 45 -33.787 -2.502 -22.232 1.00 60.13 H new ATOM 0 HA LEU A 45 -32.056 -4.875 -22.633 1.00 43.33 H new ATOM 0 HB2 LEU A 45 -33.847 -6.162 -21.563 1.00 65.03 H new ATOM 0 HB3 LEU A 45 -33.197 -4.946 -20.481 1.00 65.03 H new ATOM 0 HG LEU A 45 -35.656 -4.288 -22.065 1.00 32.42 H new ATOM 0 HD11 LEU A 45 -37.062 -5.279 -20.300 1.00 54.24 H new ATOM 0 HD12 LEU A 45 -36.116 -6.516 -21.161 1.00 54.24 H new ATOM 0 HD13 LEU A 45 -35.611 -5.977 -19.542 1.00 54.24 H new ATOM 0 HD21 LEU A 45 -36.180 -2.989 -20.040 1.00 25.03 H new ATOM 0 HD22 LEU A 45 -34.696 -3.598 -19.270 1.00 25.03 H new ATOM 0 HD23 LEU A 45 -34.589 -2.556 -20.709 1.00 25.03 H new ATOM 733 N MET A 46 -34.084 -5.985 -24.116 1.00 4.04 N ATOM 734 CA MET A 46 -34.799 -6.377 -25.324 1.00 33.15 C ATOM 735 C MET A 46 -36.024 -7.220 -24.981 1.00 50.42 C ATOM 736 O MET A 46 -37.156 -6.830 -25.266 1.00 52.21 O ATOM 737 CB MET A 46 -33.874 -7.159 -26.258 1.00 52.25 C ATOM 738 CG MET A 46 -34.274 -7.071 -27.722 1.00 74.34 C ATOM 739 SD MET A 46 -32.877 -7.298 -28.839 1.00 72.55 S ATOM 740 CE MET A 46 -33.085 -9.018 -29.296 1.00 73.15 C ATOM 0 H MET A 46 -33.828 -6.762 -23.506 1.00 4.04 H new ATOM 0 HA MET A 46 -35.133 -5.471 -25.829 1.00 33.15 H new ATOM 0 HB2 MET A 46 -32.856 -6.785 -26.145 1.00 52.25 H new ATOM 0 HB3 MET A 46 -33.865 -8.206 -25.954 1.00 52.25 H new ATOM 0 HG2 MET A 46 -35.030 -7.827 -27.934 1.00 74.34 H new ATOM 0 HG3 MET A 46 -34.732 -6.100 -27.912 1.00 74.34 H new ATOM 0 HE1 MET A 46 -32.294 -9.309 -29.987 1.00 73.15 H new ATOM 0 HE2 MET A 46 -33.034 -9.641 -28.403 1.00 73.15 H new ATOM 0 HE3 MET A 46 -34.054 -9.152 -29.777 1.00 73.15 H new ATOM 750 N ASN A 47 -35.789 -8.375 -24.369 1.00 33.12 N ATOM 751 CA ASN A 47 -36.874 -9.273 -23.988 1.00 12.41 C ATOM 752 C ASN A 47 -37.802 -8.606 -22.976 1.00 70.10 C ATOM 753 O ASN A 47 -37.541 -7.494 -22.519 1.00 1.40 O ATOM 754 CB ASN A 47 -36.311 -10.569 -23.403 1.00 24.10 C ATOM 755 CG ASN A 47 -35.296 -10.314 -22.305 1.00 22.35 C ATOM 756 OD1 ASN A 47 -35.493 -9.451 -21.450 1.00 41.22 O ATOM 757 ND2 ASN A 47 -34.202 -11.067 -22.323 1.00 74.54 N ATOM 0 H ASN A 47 -34.857 -8.712 -24.126 1.00 33.12 H new ATOM 0 HA ASN A 47 -37.449 -9.507 -24.884 1.00 12.41 H new ATOM 0 HB2 ASN A 47 -37.129 -11.171 -23.006 1.00 24.10 H new ATOM 0 HB3 ASN A 47 -35.844 -11.151 -24.198 1.00 24.10 H new ATOM 0 HD21 ASN A 47 -33.484 -10.941 -21.609 1.00 74.54 H new ATOM 0 HD22 ASN A 47 -34.079 -11.771 -23.051 1.00 74.54 H new ATOM 764 N TRP A 48 -38.884 -9.294 -22.632 1.00 21.13 N ATOM 765 CA TRP A 48 -39.851 -8.770 -21.674 1.00 4.25 C ATOM 766 C TRP A 48 -39.644 -9.391 -20.296 1.00 44.54 C ATOM 767 O TRP A 48 -39.103 -10.491 -20.174 1.00 15.34 O ATOM 768 CB TRP A 48 -41.276 -9.036 -22.158 1.00 42.41 C ATOM 769 CG TRP A 48 -41.804 -7.967 -23.066 1.00 72.21 C ATOM 770 CD1 TRP A 48 -41.109 -7.290 -24.027 1.00 25.41 C ATOM 771 CD2 TRP A 48 -43.140 -7.451 -23.097 1.00 3.33 C ATOM 772 NE1 TRP A 48 -41.930 -6.385 -24.653 1.00 15.24 N ATOM 773 CE2 TRP A 48 -43.183 -6.464 -24.101 1.00 23.33 C ATOM 774 CE3 TRP A 48 -44.303 -7.728 -22.375 1.00 13.24 C ATOM 775 CZ2 TRP A 48 -44.343 -5.755 -24.399 1.00 22.13 C ATOM 776 CZ3 TRP A 48 -45.454 -7.022 -22.672 1.00 33.13 C ATOM 777 CH2 TRP A 48 -45.468 -6.047 -23.676 1.00 43.55 C ATOM 0 H TRP A 48 -39.114 -10.216 -23.002 1.00 21.13 H new ATOM 0 HA TRP A 48 -39.698 -7.694 -21.594 1.00 4.25 H new ATOM 0 HB2 TRP A 48 -41.302 -9.992 -22.681 1.00 42.41 H new ATOM 0 HB3 TRP A 48 -41.934 -9.127 -21.294 1.00 42.41 H new ATOM 0 HD1 TRP A 48 -40.066 -7.444 -24.260 1.00 25.41 H new ATOM 0 HE1 TRP A 48 -41.653 -5.756 -25.407 1.00 15.24 H new ATOM 0 HE3 TRP A 48 -44.303 -8.479 -21.599 1.00 13.24 H new ATOM 0 HZ2 TRP A 48 -44.355 -5.002 -25.173 1.00 22.13 H new ATOM 0 HZ3 TRP A 48 -46.359 -7.227 -22.119 1.00 33.13 H new ATOM 0 HH2 TRP A 48 -46.384 -5.515 -23.884 1.00 43.55 H new ATOM 788 N THR A 49 -40.077 -8.680 -19.260 1.00 3.21 N ATOM 789 CA THR A 49 -39.939 -9.161 -17.891 1.00 22.13 C ATOM 790 C THR A 49 -41.065 -10.123 -17.531 1.00 4.25 C ATOM 791 O THR A 49 -42.125 -10.115 -18.154 1.00 2.03 O ATOM 792 CB THR A 49 -39.932 -7.995 -16.884 1.00 23.54 C ATOM 793 OG1 THR A 49 -41.110 -7.198 -17.049 1.00 23.31 O ATOM 794 CG2 THR A 49 -38.696 -7.129 -17.068 1.00 3.25 C ATOM 0 H THR A 49 -40.527 -7.768 -19.343 1.00 3.21 H new ATOM 0 HA THR A 49 -38.985 -9.685 -17.834 1.00 22.13 H new ATOM 0 HB THR A 49 -39.916 -8.413 -15.877 1.00 23.54 H new ATOM 0 HG1 THR A 49 -41.099 -6.460 -16.404 1.00 23.31 H new ATOM 0 HG21 THR A 49 -38.713 -6.312 -16.346 1.00 3.25 H new ATOM 0 HG22 THR A 49 -37.802 -7.733 -16.912 1.00 3.25 H new ATOM 0 HG23 THR A 49 -38.685 -6.720 -18.078 1.00 3.25 H new ATOM 802 N GLY A 50 -40.828 -10.952 -16.518 1.00 4.04 N ATOM 803 CA GLY A 50 -41.832 -11.908 -16.091 1.00 73.15 C ATOM 804 C GLY A 50 -42.614 -11.428 -14.884 1.00 62.55 C ATOM 805 O GLY A 50 -42.906 -10.239 -14.759 1.00 20.25 O ATOM 0 H GLY A 50 -39.958 -10.978 -15.986 1.00 4.04 H new ATOM 0 HA2 GLY A 50 -42.521 -12.099 -16.914 1.00 73.15 H new ATOM 0 HA3 GLY A 50 -41.349 -12.856 -15.854 1.00 73.15 H new ATOM 809 N SER A 51 -42.956 -12.356 -13.996 1.00 12.33 N ATOM 810 CA SER A 51 -43.714 -12.022 -12.796 1.00 22.15 C ATOM 811 C SER A 51 -42.972 -12.472 -11.542 1.00 25.33 C ATOM 812 O SER A 51 -43.005 -13.647 -11.174 1.00 54.20 O ATOM 813 CB SER A 51 -45.098 -12.673 -12.844 1.00 51.45 C ATOM 814 OG SER A 51 -45.777 -12.339 -14.043 1.00 23.32 O ATOM 0 H SER A 51 -42.720 -13.344 -14.085 1.00 12.33 H new ATOM 0 HA SER A 51 -43.830 -10.939 -12.759 1.00 22.15 H new ATOM 0 HB2 SER A 51 -44.997 -13.756 -12.769 1.00 51.45 H new ATOM 0 HB3 SER A 51 -45.687 -12.348 -11.986 1.00 51.45 H new ATOM 0 HG SER A 51 -46.658 -12.768 -14.051 1.00 23.32 H new ATOM 820 N HIS A 52 -42.301 -11.529 -10.888 1.00 45.52 N ATOM 821 CA HIS A 52 -41.550 -11.827 -9.674 1.00 2.44 C ATOM 822 C HIS A 52 -41.605 -10.654 -8.699 1.00 62.11 C ATOM 823 O HIS A 52 -41.919 -9.528 -9.085 1.00 24.22 O ATOM 824 CB HIS A 52 -40.095 -12.154 -10.016 1.00 0.32 C ATOM 825 CG HIS A 52 -39.297 -10.960 -10.439 1.00 51.44 C ATOM 826 ND1 HIS A 52 -38.451 -10.279 -9.590 1.00 53.10 N ATOM 827 CD2 HIS A 52 -39.218 -10.326 -11.633 1.00 13.22 C ATOM 828 CE1 HIS A 52 -37.887 -9.278 -10.242 1.00 15.12 C ATOM 829 NE2 HIS A 52 -38.336 -9.284 -11.484 1.00 31.22 N ATOM 0 H HIS A 52 -42.262 -10.552 -11.179 1.00 45.52 H new ATOM 0 HA HIS A 52 -42.007 -12.694 -9.197 1.00 2.44 H new ATOM 0 HB2 HIS A 52 -39.620 -12.609 -9.147 1.00 0.32 H new ATOM 0 HB3 HIS A 52 -40.076 -12.895 -10.815 1.00 0.32 H new ATOM 0 HD2 HIS A 52 -39.750 -10.591 -12.535 1.00 13.22 H new ATOM 0 HE1 HIS A 52 -37.179 -8.574 -9.829 1.00 15.12 H new ATOM 0 HE2 HIS A 52 -38.071 -8.622 -12.214 1.00 31.22 H new ATOM 837 N ASP A 53 -41.297 -10.926 -7.436 1.00 12.44 N ATOM 838 CA ASP A 53 -41.311 -9.894 -6.406 1.00 50.31 C ATOM 839 C ASP A 53 -40.065 -9.017 -6.497 1.00 74.25 C ATOM 840 O ASP A 53 -40.154 -7.821 -6.773 1.00 45.44 O ATOM 841 CB ASP A 53 -41.402 -10.529 -5.018 1.00 11.12 C ATOM 842 CG ASP A 53 -41.813 -9.533 -3.951 1.00 22.31 C ATOM 843 OD1 ASP A 53 -41.801 -8.318 -4.238 1.00 60.33 O ATOM 844 OD2 ASP A 53 -42.146 -9.969 -2.829 1.00 5.44 O ATOM 0 H ASP A 53 -41.034 -11.853 -7.101 1.00 12.44 H new ATOM 0 HA ASP A 53 -42.188 -9.267 -6.568 1.00 50.31 H new ATOM 0 HB2 ASP A 53 -42.121 -11.348 -5.043 1.00 11.12 H new ATOM 0 HB3 ASP A 53 -40.436 -10.961 -4.755 1.00 11.12 H new ATOM 849 N THR A 54 -38.905 -9.622 -6.265 1.00 71.53 N ATOM 850 CA THR A 54 -37.641 -8.898 -6.319 1.00 12.50 C ATOM 851 C THR A 54 -36.472 -9.847 -6.551 1.00 60.51 C ATOM 852 O THR A 54 -36.504 -11.003 -6.128 1.00 62.22 O ATOM 853 CB THR A 54 -37.393 -8.103 -5.022 1.00 23.52 C ATOM 854 OG1 THR A 54 -36.111 -7.468 -5.075 1.00 43.33 O ATOM 855 CG2 THR A 54 -37.463 -9.017 -3.808 1.00 5.22 C ATOM 0 H THR A 54 -38.814 -10.612 -6.038 1.00 71.53 H new ATOM 0 HA THR A 54 -37.711 -8.203 -7.155 1.00 12.50 H new ATOM 0 HB THR A 54 -38.170 -7.344 -4.931 1.00 23.52 H new ATOM 0 HG1 THR A 54 -35.961 -6.963 -4.248 1.00 43.33 H new ATOM 0 HG21 THR A 54 -37.285 -8.435 -2.904 1.00 5.22 H new ATOM 0 HG22 THR A 54 -38.450 -9.477 -3.755 1.00 5.22 H new ATOM 0 HG23 THR A 54 -36.704 -9.795 -3.894 1.00 5.22 H new ATOM 863 N LYS A 55 -35.440 -9.354 -7.227 1.00 44.30 N ATOM 864 CA LYS A 55 -34.257 -10.158 -7.515 1.00 15.33 C ATOM 865 C LYS A 55 -33.024 -9.274 -7.675 1.00 12.45 C ATOM 866 O LYS A 55 -33.010 -8.357 -8.494 1.00 51.33 O ATOM 867 CB LYS A 55 -34.474 -10.983 -8.785 1.00 14.32 C ATOM 868 CG LYS A 55 -33.276 -11.834 -9.169 1.00 71.22 C ATOM 869 CD LYS A 55 -33.433 -12.422 -10.561 1.00 2.43 C ATOM 870 CE LYS A 55 -34.242 -13.709 -10.535 1.00 33.14 C ATOM 871 NZ LYS A 55 -33.881 -14.616 -11.659 1.00 43.13 N ATOM 0 H LYS A 55 -35.398 -8.400 -7.586 1.00 44.30 H new ATOM 0 HA LYS A 55 -34.092 -10.832 -6.674 1.00 15.33 H new ATOM 0 HB2 LYS A 55 -35.339 -11.631 -8.644 1.00 14.32 H new ATOM 0 HB3 LYS A 55 -34.711 -10.310 -9.609 1.00 14.32 H new ATOM 0 HG2 LYS A 55 -32.371 -11.228 -9.129 1.00 71.22 H new ATOM 0 HG3 LYS A 55 -33.153 -12.639 -8.445 1.00 71.22 H new ATOM 0 HD2 LYS A 55 -33.923 -11.696 -11.210 1.00 2.43 H new ATOM 0 HD3 LYS A 55 -32.449 -12.618 -10.987 1.00 2.43 H new ATOM 0 HE2 LYS A 55 -34.077 -14.222 -9.588 1.00 33.14 H new ATOM 0 HE3 LYS A 55 -35.304 -13.471 -10.588 1.00 33.14 H new ATOM 0 HZ1 LYS A 55 -34.455 -15.482 -11.605 1.00 43.13 H new ATOM 0 HZ2 LYS A 55 -34.062 -14.137 -12.564 1.00 43.13 H new ATOM 0 HZ3 LYS A 55 -32.873 -14.864 -11.595 1.00 43.13 H new ATOM 885 N GLN A 56 -31.993 -9.559 -6.886 1.00 42.21 N ATOM 886 CA GLN A 56 -30.755 -8.790 -6.942 1.00 1.51 C ATOM 887 C GLN A 56 -30.085 -8.934 -8.304 1.00 53.34 C ATOM 888 O GLN A 56 -29.957 -10.039 -8.829 1.00 32.21 O ATOM 889 CB GLN A 56 -29.797 -9.244 -5.839 1.00 14.40 C ATOM 890 CG GLN A 56 -30.345 -9.039 -4.436 1.00 4.20 C ATOM 891 CD GLN A 56 -30.123 -7.629 -3.923 1.00 61.35 C ATOM 892 OE1 GLN A 56 -29.310 -6.879 -4.466 1.00 34.33 O ATOM 893 NE2 GLN A 56 -30.847 -7.260 -2.873 1.00 64.02 N ATOM 0 H GLN A 56 -31.990 -10.315 -6.202 1.00 42.21 H new ATOM 0 HA GLN A 56 -31.003 -7.740 -6.789 1.00 1.51 H new ATOM 0 HB2 GLN A 56 -29.568 -10.300 -5.980 1.00 14.40 H new ATOM 0 HB3 GLN A 56 -28.858 -8.698 -5.937 1.00 14.40 H new ATOM 0 HG2 GLN A 56 -31.412 -9.259 -4.431 1.00 4.20 H new ATOM 0 HG3 GLN A 56 -29.870 -9.748 -3.757 1.00 4.20 H new ATOM 0 HE21 GLN A 56 -31.509 -7.914 -2.455 1.00 64.02 H new ATOM 0 HE22 GLN A 56 -30.741 -6.323 -2.485 1.00 64.02 H new ATOM 902 N GLN A 57 -29.661 -7.809 -8.871 1.00 70.14 N ATOM 903 CA GLN A 57 -29.005 -7.811 -10.174 1.00 55.11 C ATOM 904 C GLN A 57 -27.515 -8.105 -10.033 1.00 34.21 C ATOM 905 O GLN A 57 -26.930 -8.808 -10.857 1.00 53.51 O ATOM 906 CB GLN A 57 -29.208 -6.465 -10.873 1.00 25.42 C ATOM 907 CG GLN A 57 -28.626 -5.289 -10.105 1.00 52.43 C ATOM 908 CD GLN A 57 -29.401 -4.005 -10.332 1.00 31.00 C ATOM 909 OE1 GLN A 57 -30.291 -3.658 -9.554 1.00 1.35 O ATOM 910 NE2 GLN A 57 -29.067 -3.292 -11.401 1.00 22.11 N ATOM 0 H GLN A 57 -29.760 -6.885 -8.449 1.00 70.14 H new ATOM 0 HA GLN A 57 -29.456 -8.598 -10.779 1.00 55.11 H new ATOM 0 HB2 GLN A 57 -28.751 -6.505 -11.862 1.00 25.42 H new ATOM 0 HB3 GLN A 57 -30.275 -6.299 -11.022 1.00 25.42 H new ATOM 0 HG2 GLN A 57 -28.620 -5.522 -9.040 1.00 52.43 H new ATOM 0 HG3 GLN A 57 -27.589 -5.141 -10.405 1.00 52.43 H new ATOM 0 HE21 GLN A 57 -28.323 -3.617 -12.019 1.00 22.11 H new ATOM 0 HE22 GLN A 57 -29.554 -2.419 -11.604 1.00 22.11 H new ATOM 919 N VAL A 58 -26.907 -7.563 -8.983 1.00 73.23 N ATOM 920 CA VAL A 58 -25.486 -7.768 -8.733 1.00 63.24 C ATOM 921 C VAL A 58 -25.134 -9.252 -8.745 1.00 42.31 C ATOM 922 O VAL A 58 -24.024 -9.633 -9.121 1.00 34.45 O ATOM 923 CB VAL A 58 -25.060 -7.161 -7.383 1.00 65.20 C ATOM 924 CG1 VAL A 58 -23.553 -7.269 -7.201 1.00 42.14 C ATOM 925 CG2 VAL A 58 -25.515 -5.713 -7.283 1.00 63.23 C ATOM 0 H VAL A 58 -27.377 -6.978 -8.292 1.00 73.23 H new ATOM 0 HA VAL A 58 -24.948 -7.264 -9.535 1.00 63.24 H new ATOM 0 HB VAL A 58 -25.540 -7.725 -6.583 1.00 65.20 H new ATOM 0 HG11 VAL A 58 -23.270 -6.835 -6.242 1.00 42.14 H new ATOM 0 HG12 VAL A 58 -23.258 -8.318 -7.226 1.00 42.14 H new ATOM 0 HG13 VAL A 58 -23.050 -6.731 -8.005 1.00 42.14 H new ATOM 0 HG21 VAL A 58 -25.206 -5.300 -6.323 1.00 63.23 H new ATOM 0 HG22 VAL A 58 -25.065 -5.134 -8.089 1.00 63.23 H new ATOM 0 HG23 VAL A 58 -26.601 -5.666 -7.365 1.00 63.23 H new ATOM 935 N CYS A 59 -26.084 -10.083 -8.332 1.00 4.41 N ATOM 936 CA CYS A 59 -25.875 -11.525 -8.294 1.00 64.24 C ATOM 937 C CYS A 59 -26.846 -12.240 -9.227 1.00 1.23 C ATOM 938 O CYS A 59 -28.043 -11.948 -9.237 1.00 32.31 O ATOM 939 CB CYS A 59 -26.041 -12.048 -6.867 1.00 22.22 C ATOM 940 SG CYS A 59 -25.973 -13.850 -6.728 1.00 23.41 S ATOM 0 H CYS A 59 -27.007 -9.782 -8.019 1.00 4.41 H new ATOM 0 HA CYS A 59 -24.859 -11.729 -8.632 1.00 64.24 H new ATOM 0 HB2 CYS A 59 -25.261 -11.616 -6.240 1.00 22.22 H new ATOM 0 HB3 CYS A 59 -26.996 -11.700 -6.473 1.00 22.22 H new ATOM 0 HG CYS A 59 -26.121 -14.195 -5.483 1.00 23.41 H new ATOM 946 N LEU A 60 -26.324 -13.176 -10.012 1.00 30.42 N ATOM 947 CA LEU A 60 -27.145 -13.933 -10.951 1.00 13.41 C ATOM 948 C LEU A 60 -26.569 -15.327 -11.178 1.00 40.12 C ATOM 949 O LEU A 60 -25.462 -15.632 -10.734 1.00 14.23 O ATOM 950 CB LEU A 60 -27.250 -13.188 -12.282 1.00 64.21 C ATOM 951 CG LEU A 60 -25.937 -12.978 -13.038 1.00 43.41 C ATOM 952 CD1 LEU A 60 -26.168 -13.047 -14.539 1.00 51.43 C ATOM 953 CD2 LEU A 60 -25.308 -11.646 -12.655 1.00 4.25 C ATOM 0 H LEU A 60 -25.336 -13.429 -10.017 1.00 30.42 H new ATOM 0 HA LEU A 60 -28.141 -14.038 -10.521 1.00 13.41 H new ATOM 0 HB2 LEU A 60 -27.935 -13.736 -12.929 1.00 64.21 H new ATOM 0 HB3 LEU A 60 -27.699 -12.212 -12.095 1.00 64.21 H new ATOM 0 HG LEU A 60 -25.249 -13.776 -12.760 1.00 43.41 H new ATOM 0 HD11 LEU A 60 -25.223 -12.895 -15.060 1.00 51.43 H new ATOM 0 HD12 LEU A 60 -26.573 -14.024 -14.800 1.00 51.43 H new ATOM 0 HD13 LEU A 60 -26.874 -12.271 -14.835 1.00 51.43 H new ATOM 0 HD21 LEU A 60 -24.375 -11.514 -13.202 1.00 4.25 H new ATOM 0 HD22 LEU A 60 -25.993 -10.835 -12.904 1.00 4.25 H new ATOM 0 HD23 LEU A 60 -25.105 -11.634 -11.584 1.00 4.25 H new ATOM 965 N SER A 61 -27.325 -16.168 -11.875 1.00 52.31 N ATOM 966 CA SER A 61 -26.890 -17.530 -12.161 1.00 74.13 C ATOM 967 C SER A 61 -26.982 -17.828 -13.654 1.00 55.15 C ATOM 968 O SER A 61 -27.998 -17.551 -14.293 1.00 72.32 O ATOM 969 CB SER A 61 -27.738 -18.534 -11.376 1.00 12.21 C ATOM 970 OG SER A 61 -29.045 -18.034 -11.153 1.00 43.44 O ATOM 0 H SER A 61 -28.242 -15.930 -12.252 1.00 52.31 H new ATOM 0 HA SER A 61 -25.849 -17.625 -11.853 1.00 74.13 H new ATOM 0 HB2 SER A 61 -27.794 -19.475 -11.924 1.00 12.21 H new ATOM 0 HB3 SER A 61 -27.260 -18.750 -10.420 1.00 12.21 H new ATOM 0 HG SER A 61 -29.567 -18.695 -10.651 1.00 43.44 H new ATOM 976 N PHE A 62 -25.914 -18.393 -14.205 1.00 74.42 N ATOM 977 CA PHE A 62 -25.872 -18.729 -15.624 1.00 32.24 C ATOM 978 C PHE A 62 -26.017 -20.234 -15.832 1.00 11.11 C ATOM 979 O PHE A 62 -25.581 -21.032 -15.002 1.00 63.43 O ATOM 980 CB PHE A 62 -24.563 -18.240 -16.247 1.00 25.23 C ATOM 981 CG PHE A 62 -24.602 -16.802 -16.675 1.00 54.12 C ATOM 982 CD1 PHE A 62 -25.381 -16.406 -17.750 1.00 74.34 C ATOM 983 CD2 PHE A 62 -23.861 -15.844 -16.002 1.00 61.25 C ATOM 984 CE1 PHE A 62 -25.420 -15.084 -18.148 1.00 4.24 C ATOM 985 CE2 PHE A 62 -23.895 -14.519 -16.395 1.00 11.41 C ATOM 986 CZ PHE A 62 -24.677 -14.138 -17.468 1.00 3.00 C ATOM 0 H PHE A 62 -25.065 -18.628 -13.691 1.00 74.42 H new ATOM 0 HA PHE A 62 -26.708 -18.231 -16.114 1.00 32.24 H new ATOM 0 HB2 PHE A 62 -23.755 -18.375 -15.528 1.00 25.23 H new ATOM 0 HB3 PHE A 62 -24.327 -18.861 -17.111 1.00 25.23 H new ATOM 0 HD1 PHE A 62 -25.965 -17.141 -18.284 1.00 74.34 H new ATOM 0 HD2 PHE A 62 -23.250 -16.136 -15.161 1.00 61.25 H new ATOM 0 HE1 PHE A 62 -26.030 -14.790 -18.989 1.00 4.24 H new ATOM 0 HE2 PHE A 62 -23.311 -13.782 -15.864 1.00 11.41 H new ATOM 0 HZ PHE A 62 -24.708 -13.103 -17.775 1.00 3.00 H new ATOM 996 N THR A 63 -26.634 -20.614 -16.946 1.00 21.02 N ATOM 997 CA THR A 63 -26.840 -22.022 -17.264 1.00 64.11 C ATOM 998 C THR A 63 -25.510 -22.757 -17.386 1.00 32.23 C ATOM 999 O THR A 63 -25.298 -23.791 -16.750 1.00 13.32 O ATOM 1000 CB THR A 63 -27.630 -22.192 -18.575 1.00 12.13 C ATOM 1001 OG1 THR A 63 -28.639 -21.181 -18.674 1.00 33.03 O ATOM 1002 CG2 THR A 63 -28.275 -23.568 -18.642 1.00 73.54 C ATOM 0 H THR A 63 -27.000 -19.966 -17.644 1.00 21.02 H new ATOM 0 HA THR A 63 -27.416 -22.451 -16.444 1.00 64.11 H new ATOM 0 HB THR A 63 -26.935 -22.093 -19.408 1.00 12.13 H new ATOM 0 HG1 THR A 63 -29.257 -21.260 -17.918 1.00 33.03 H new ATOM 0 HG21 THR A 63 -28.828 -23.666 -19.576 1.00 73.54 H new ATOM 0 HG22 THR A 63 -27.502 -24.335 -18.596 1.00 73.54 H new ATOM 0 HG23 THR A 63 -28.958 -23.691 -17.802 1.00 73.54 H new ATOM 1010 N THR A 64 -24.614 -22.219 -18.207 1.00 3.32 N ATOM 1011 CA THR A 64 -23.304 -22.824 -18.413 1.00 70.12 C ATOM 1012 C THR A 64 -22.189 -21.881 -17.978 1.00 5.13 C ATOM 1013 O THR A 64 -22.437 -20.724 -17.639 1.00 33.25 O ATOM 1014 CB THR A 64 -23.089 -23.209 -19.889 1.00 2.00 C ATOM 1015 OG1 THR A 64 -23.870 -22.358 -20.736 1.00 65.40 O ATOM 1016 CG2 THR A 64 -23.470 -24.661 -20.130 1.00 52.34 C ATOM 0 H THR A 64 -24.772 -21.364 -18.741 1.00 3.32 H new ATOM 0 HA THR A 64 -23.272 -23.726 -17.802 1.00 70.12 H new ATOM 0 HB THR A 64 -22.032 -23.084 -20.124 1.00 2.00 H new ATOM 0 HG1 THR A 64 -23.727 -22.608 -21.673 1.00 65.40 H new ATOM 0 HG21 THR A 64 -23.310 -24.910 -21.179 1.00 52.34 H new ATOM 0 HG22 THR A 64 -22.853 -25.307 -19.505 1.00 52.34 H new ATOM 0 HG23 THR A 64 -24.520 -24.808 -19.879 1.00 52.34 H new ATOM 1024 N ARG A 65 -20.958 -22.383 -17.988 1.00 60.01 N ATOM 1025 CA ARG A 65 -19.803 -21.585 -17.593 1.00 61.53 C ATOM 1026 C ARG A 65 -19.500 -20.515 -18.637 1.00 51.55 C ATOM 1027 O ARG A 65 -19.349 -19.339 -18.308 1.00 5.54 O ATOM 1028 CB ARG A 65 -18.579 -22.482 -17.398 1.00 75.51 C ATOM 1029 CG ARG A 65 -17.283 -21.711 -17.214 1.00 23.32 C ATOM 1030 CD ARG A 65 -16.339 -21.920 -18.388 1.00 35.11 C ATOM 1031 NE ARG A 65 -15.979 -23.326 -18.558 1.00 0.40 N ATOM 1032 CZ ARG A 65 -15.283 -23.786 -19.591 1.00 4.14 C ATOM 1033 NH1 ARG A 65 -14.873 -22.957 -20.542 1.00 34.53 N ATOM 1034 NH2 ARG A 65 -14.993 -25.079 -19.675 1.00 14.33 N ATOM 0 H ARG A 65 -20.735 -23.339 -18.265 1.00 60.01 H new ATOM 0 HA ARG A 65 -20.039 -21.093 -16.649 1.00 61.53 H new ATOM 0 HB2 ARG A 65 -18.740 -23.118 -16.528 1.00 75.51 H new ATOM 0 HB3 ARG A 65 -18.481 -23.141 -18.261 1.00 75.51 H new ATOM 0 HG2 ARG A 65 -17.502 -20.649 -17.107 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -16.796 -22.030 -16.293 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -16.809 -21.553 -19.301 1.00 35.11 H new ATOM 0 HD3 ARG A 65 -15.435 -21.330 -18.236 1.00 35.11 H new ATOM 0 HE ARG A 65 -16.279 -23.990 -17.844 1.00 0.40 H new ATOM 0 HH11 ARG A 65 -15.092 -21.963 -20.481 1.00 34.53 H new ATOM 0 HH12 ARG A 65 -14.339 -23.314 -21.334 1.00 34.53 H new ATOM 0 HH21 ARG A 65 -15.305 -25.720 -18.946 1.00 14.33 H new ATOM 0 HH22 ARG A 65 -14.458 -25.431 -20.469 1.00 14.33 H new ATOM 1048 N GLU A 66 -19.412 -20.931 -19.897 1.00 52.52 N ATOM 1049 CA GLU A 66 -19.126 -20.006 -20.988 1.00 34.41 C ATOM 1050 C GLU A 66 -20.081 -18.816 -20.957 1.00 40.14 C ATOM 1051 O GLU A 66 -19.712 -17.700 -21.325 1.00 4.02 O ATOM 1052 CB GLU A 66 -19.231 -20.724 -22.335 1.00 74.51 C ATOM 1053 CG GLU A 66 -18.824 -19.862 -23.518 1.00 63.04 C ATOM 1054 CD GLU A 66 -18.524 -20.680 -24.760 1.00 11.22 C ATOM 1055 OE1 GLU A 66 -18.064 -21.832 -24.616 1.00 1.43 O ATOM 1056 OE2 GLU A 66 -18.749 -20.165 -25.876 1.00 33.53 O ATOM 0 H GLU A 66 -19.534 -21.901 -20.187 1.00 52.52 H new ATOM 0 HA GLU A 66 -18.109 -19.636 -20.860 1.00 34.41 H new ATOM 0 HB2 GLU A 66 -18.603 -21.615 -22.312 1.00 74.51 H new ATOM 0 HB3 GLU A 66 -20.258 -21.061 -22.478 1.00 74.51 H new ATOM 0 HG2 GLU A 66 -19.622 -19.153 -23.738 1.00 63.04 H new ATOM 0 HG3 GLU A 66 -17.944 -19.277 -23.251 1.00 63.04 H new ATOM 1063 N LEU A 67 -21.310 -19.063 -20.519 1.00 20.44 N ATOM 1064 CA LEU A 67 -22.320 -18.012 -20.441 1.00 32.34 C ATOM 1065 C LEU A 67 -21.822 -16.841 -19.600 1.00 55.32 C ATOM 1066 O LEU A 67 -21.971 -15.681 -19.985 1.00 41.04 O ATOM 1067 CB LEU A 67 -23.616 -18.567 -19.847 1.00 53.21 C ATOM 1068 CG LEU A 67 -24.882 -18.346 -20.675 1.00 70.53 C ATOM 1069 CD1 LEU A 67 -25.070 -16.869 -20.981 1.00 44.23 C ATOM 1070 CD2 LEU A 67 -24.824 -19.157 -21.963 1.00 54.31 C ATOM 0 H LEU A 67 -21.632 -19.981 -20.212 1.00 20.44 H new ATOM 0 HA LEU A 67 -22.515 -17.653 -21.451 1.00 32.34 H new ATOM 0 HB2 LEU A 67 -23.491 -19.638 -19.690 1.00 53.21 H new ATOM 0 HB3 LEU A 67 -23.765 -18.117 -18.866 1.00 53.21 H new ATOM 0 HG LEU A 67 -25.738 -18.686 -20.092 1.00 70.53 H new ATOM 0 HD11 LEU A 67 -25.976 -16.732 -21.571 1.00 44.23 H new ATOM 0 HD12 LEU A 67 -25.157 -16.312 -20.048 1.00 44.23 H new ATOM 0 HD13 LEU A 67 -24.212 -16.502 -21.544 1.00 44.23 H new ATOM 0 HD21 LEU A 67 -25.733 -18.988 -22.541 1.00 54.31 H new ATOM 0 HD22 LEU A 67 -23.959 -18.847 -22.549 1.00 54.31 H new ATOM 0 HD23 LEU A 67 -24.739 -20.217 -21.722 1.00 54.31 H new ATOM 1082 N ALA A 68 -21.230 -17.152 -18.452 1.00 42.23 N ATOM 1083 CA ALA A 68 -20.707 -16.126 -17.560 1.00 45.32 C ATOM 1084 C ALA A 68 -19.584 -15.338 -18.227 1.00 72.13 C ATOM 1085 O ALA A 68 -19.672 -14.120 -18.377 1.00 42.44 O ATOM 1086 CB ALA A 68 -20.216 -16.753 -16.264 1.00 42.50 C ATOM 0 H ALA A 68 -21.101 -18.107 -18.118 1.00 42.23 H new ATOM 0 HA ALA A 68 -21.516 -15.432 -17.332 1.00 45.32 H new ATOM 0 HB1 ALA A 68 -19.828 -15.974 -15.607 1.00 42.50 H new ATOM 0 HB2 ALA A 68 -21.043 -17.265 -15.771 1.00 42.50 H new ATOM 0 HB3 ALA A 68 -19.425 -17.470 -16.484 1.00 42.50 H new ATOM 1092 N ILE A 69 -18.529 -16.042 -18.625 1.00 13.23 N ATOM 1093 CA ILE A 69 -17.390 -15.408 -19.276 1.00 32.31 C ATOM 1094 C ILE A 69 -17.836 -14.567 -20.468 1.00 31.15 C ATOM 1095 O ILE A 69 -17.323 -13.471 -20.693 1.00 61.33 O ATOM 1096 CB ILE A 69 -16.363 -16.451 -19.755 1.00 31.44 C ATOM 1097 CG1 ILE A 69 -15.858 -17.280 -18.572 1.00 22.51 C ATOM 1098 CG2 ILE A 69 -15.204 -15.768 -20.464 1.00 1.25 C ATOM 1099 CD1 ILE A 69 -16.544 -18.622 -18.436 1.00 50.15 C ATOM 0 H ILE A 69 -18.440 -17.051 -18.508 1.00 13.23 H new ATOM 0 HA ILE A 69 -16.921 -14.762 -18.533 1.00 32.31 H new ATOM 0 HB ILE A 69 -16.851 -17.121 -20.463 1.00 31.44 H new ATOM 0 HG12 ILE A 69 -14.785 -17.439 -18.682 1.00 22.51 H new ATOM 0 HG13 ILE A 69 -16.003 -16.712 -17.653 1.00 22.51 H new ATOM 0 HG21 ILE A 69 -14.487 -16.519 -20.796 1.00 1.25 H new ATOM 0 HG22 ILE A 69 -15.579 -15.217 -21.327 1.00 1.25 H new ATOM 0 HG23 ILE A 69 -14.714 -15.077 -19.778 1.00 1.25 H new ATOM 0 HD11 ILE A 69 -16.135 -19.154 -17.577 1.00 50.15 H new ATOM 0 HD12 ILE A 69 -17.614 -18.471 -18.294 1.00 50.15 H new ATOM 0 HD13 ILE A 69 -16.377 -19.209 -19.339 1.00 50.15 H new ATOM 1111 N ALA A 70 -18.796 -15.087 -21.225 1.00 60.12 N ATOM 1112 CA ALA A 70 -19.314 -14.381 -22.392 1.00 34.43 C ATOM 1113 C ALA A 70 -19.835 -13.000 -22.011 1.00 71.13 C ATOM 1114 O ALA A 70 -19.879 -12.092 -22.842 1.00 34.45 O ATOM 1115 CB ALA A 70 -20.412 -15.198 -23.057 1.00 31.04 C ATOM 0 H ALA A 70 -19.231 -15.993 -21.052 1.00 60.12 H new ATOM 0 HA ALA A 70 -18.496 -14.248 -23.100 1.00 34.43 H new ATOM 0 HB1 ALA A 70 -20.790 -14.660 -23.926 1.00 31.04 H new ATOM 0 HB2 ALA A 70 -20.009 -16.160 -23.373 1.00 31.04 H new ATOM 0 HB3 ALA A 70 -21.225 -15.360 -22.349 1.00 31.04 H new ATOM 1121 N TYR A 71 -20.229 -12.848 -20.752 1.00 15.13 N ATOM 1122 CA TYR A 71 -20.751 -11.578 -20.263 1.00 11.53 C ATOM 1123 C TYR A 71 -19.616 -10.615 -19.929 1.00 3.12 C ATOM 1124 O TYR A 71 -19.585 -9.483 -20.412 1.00 30.45 O ATOM 1125 CB TYR A 71 -21.624 -11.803 -19.026 1.00 51.03 C ATOM 1126 CG TYR A 71 -22.213 -10.531 -18.461 1.00 42.01 C ATOM 1127 CD1 TYR A 71 -22.750 -9.558 -19.296 1.00 63.30 C ATOM 1128 CD2 TYR A 71 -22.235 -10.301 -17.091 1.00 1.23 C ATOM 1129 CE1 TYR A 71 -23.288 -8.394 -18.784 1.00 72.32 C ATOM 1130 CE2 TYR A 71 -22.773 -9.140 -16.570 1.00 2.44 C ATOM 1131 CZ TYR A 71 -23.298 -8.190 -17.421 1.00 5.05 C ATOM 1132 OH TYR A 71 -23.834 -7.031 -16.906 1.00 72.41 O ATOM 0 H TYR A 71 -20.197 -13.589 -20.051 1.00 15.13 H new ATOM 0 HA TYR A 71 -21.358 -11.136 -21.053 1.00 11.53 H new ATOM 0 HB2 TYR A 71 -22.434 -12.486 -19.283 1.00 51.03 H new ATOM 0 HB3 TYR A 71 -21.028 -12.291 -18.255 1.00 51.03 H new ATOM 0 HD1 TYR A 71 -22.746 -9.715 -20.364 1.00 63.30 H new ATOM 0 HD2 TYR A 71 -21.824 -11.043 -16.422 1.00 1.23 H new ATOM 0 HE1 TYR A 71 -23.699 -7.648 -19.448 1.00 72.32 H new ATOM 0 HE2 TYR A 71 -22.782 -8.977 -15.502 1.00 2.44 H new ATOM 0 HH TYR A 71 -23.764 -7.044 -15.929 1.00 72.41 H new ATOM 1142 N ALA A 72 -18.684 -11.074 -19.099 1.00 31.30 N ATOM 1143 CA ALA A 72 -17.546 -10.256 -18.702 1.00 25.21 C ATOM 1144 C ALA A 72 -16.708 -9.856 -19.912 1.00 2.40 C ATOM 1145 O ALA A 72 -16.462 -8.673 -20.146 1.00 52.12 O ATOM 1146 CB ALA A 72 -16.689 -11.000 -17.688 1.00 22.01 C ATOM 0 H ALA A 72 -18.696 -12.008 -18.689 1.00 31.30 H new ATOM 0 HA ALA A 72 -17.929 -9.346 -18.240 1.00 25.21 H new ATOM 0 HB1 ALA A 72 -15.842 -10.377 -17.400 1.00 22.01 H new ATOM 0 HB2 ALA A 72 -17.286 -11.230 -16.806 1.00 22.01 H new ATOM 0 HB3 ALA A 72 -16.324 -11.927 -18.131 1.00 22.01 H new ATOM 1152 N VAL A 73 -16.271 -10.851 -20.679 1.00 54.55 N ATOM 1153 CA VAL A 73 -15.462 -10.602 -21.866 1.00 31.03 C ATOM 1154 C VAL A 73 -16.122 -9.572 -22.775 1.00 60.24 C ATOM 1155 O VAL A 73 -15.443 -8.815 -23.468 1.00 3.23 O ATOM 1156 CB VAL A 73 -15.224 -11.898 -22.664 1.00 25.15 C ATOM 1157 CG1 VAL A 73 -14.411 -11.611 -23.917 1.00 61.54 C ATOM 1158 CG2 VAL A 73 -14.530 -12.938 -21.796 1.00 15.22 C ATOM 0 H VAL A 73 -16.464 -11.836 -20.499 1.00 54.55 H new ATOM 0 HA VAL A 73 -14.503 -10.215 -21.521 1.00 31.03 H new ATOM 0 HB VAL A 73 -16.190 -12.299 -22.970 1.00 25.15 H new ATOM 0 HG11 VAL A 73 -14.253 -12.538 -24.468 1.00 61.54 H new ATOM 0 HG12 VAL A 73 -14.950 -10.902 -24.546 1.00 61.54 H new ATOM 0 HG13 VAL A 73 -13.447 -11.187 -23.636 1.00 61.54 H new ATOM 0 HG21 VAL A 73 -14.370 -13.847 -22.376 1.00 15.22 H new ATOM 0 HG22 VAL A 73 -13.569 -12.548 -21.459 1.00 15.22 H new ATOM 0 HG23 VAL A 73 -15.153 -13.164 -20.931 1.00 15.22 H new ATOM 1168 N ALA A 74 -17.451 -9.550 -22.769 1.00 51.12 N ATOM 1169 CA ALA A 74 -18.203 -8.611 -23.593 1.00 33.35 C ATOM 1170 C ALA A 74 -17.716 -7.182 -23.380 1.00 10.21 C ATOM 1171 O ALA A 74 -17.770 -6.355 -24.291 1.00 13.03 O ATOM 1172 CB ALA A 74 -19.690 -8.716 -23.286 1.00 2.44 C ATOM 0 H ALA A 74 -18.029 -10.171 -22.203 1.00 51.12 H new ATOM 0 HA ALA A 74 -18.039 -8.870 -24.639 1.00 33.35 H new ATOM 0 HB1 ALA A 74 -20.241 -8.010 -23.908 1.00 2.44 H new ATOM 0 HB2 ALA A 74 -20.034 -9.729 -23.495 1.00 2.44 H new ATOM 0 HB3 ALA A 74 -19.862 -8.485 -22.235 1.00 2.44 H new ATOM 1178 N HIS A 75 -17.240 -6.898 -22.172 1.00 10.20 N ATOM 1179 CA HIS A 75 -16.743 -5.567 -21.840 1.00 61.21 C ATOM 1180 C HIS A 75 -15.333 -5.643 -21.262 1.00 45.01 C ATOM 1181 O HIS A 75 -14.909 -4.762 -20.513 1.00 73.02 O ATOM 1182 CB HIS A 75 -17.680 -4.883 -20.842 1.00 63.45 C ATOM 1183 CG HIS A 75 -18.837 -4.188 -21.489 1.00 1.13 C ATOM 1184 ND1 HIS A 75 -20.144 -4.373 -21.091 1.00 51.51 N ATOM 1185 CD2 HIS A 75 -18.878 -3.299 -22.510 1.00 73.52 C ATOM 1186 CE1 HIS A 75 -20.940 -3.631 -21.841 1.00 12.03 C ATOM 1187 NE2 HIS A 75 -20.197 -2.970 -22.710 1.00 44.41 N ATOM 0 H HIS A 75 -17.188 -7.571 -21.407 1.00 10.20 H new ATOM 0 HA HIS A 75 -16.710 -4.979 -22.757 1.00 61.21 H new ATOM 0 HB2 HIS A 75 -18.059 -5.628 -20.142 1.00 63.45 H new ATOM 0 HB3 HIS A 75 -17.111 -4.159 -20.259 1.00 63.45 H new ATOM 0 HD2 HIS A 75 -18.032 -2.920 -23.064 1.00 73.52 H new ATOM 0 HE1 HIS A 75 -22.015 -3.575 -21.757 1.00 12.03 H new ATOM 0 HE2 HIS A 75 -20.546 -2.321 -23.415 1.00 44.41 H new ATOM 1195 N LYS A 76 -14.610 -6.700 -21.614 1.00 55.11 N ATOM 1196 CA LYS A 76 -13.247 -6.892 -21.131 1.00 52.32 C ATOM 1197 C LYS A 76 -13.187 -6.774 -19.611 1.00 63.32 C ATOM 1198 O LYS A 76 -12.467 -5.933 -19.073 1.00 53.34 O ATOM 1199 CB LYS A 76 -12.310 -5.866 -21.771 1.00 1.32 C ATOM 1200 CG LYS A 76 -11.951 -6.184 -23.212 1.00 20.21 C ATOM 1201 CD LYS A 76 -13.013 -5.682 -24.175 1.00 45.10 C ATOM 1202 CE LYS A 76 -12.640 -5.978 -25.619 1.00 74.10 C ATOM 1203 NZ LYS A 76 -13.810 -5.846 -26.532 1.00 51.25 N ATOM 0 H LYS A 76 -14.945 -7.438 -22.233 1.00 55.11 H new ATOM 0 HA LYS A 76 -12.925 -7.895 -21.412 1.00 52.32 H new ATOM 0 HB2 LYS A 76 -12.780 -4.883 -21.731 1.00 1.32 H new ATOM 0 HB3 LYS A 76 -11.395 -5.806 -21.182 1.00 1.32 H new ATOM 0 HG2 LYS A 76 -10.991 -5.729 -23.458 1.00 20.21 H new ATOM 0 HG3 LYS A 76 -11.832 -7.261 -23.329 1.00 20.21 H new ATOM 0 HD2 LYS A 76 -13.969 -6.151 -23.941 1.00 45.10 H new ATOM 0 HD3 LYS A 76 -13.145 -4.608 -24.045 1.00 45.10 H new ATOM 0 HE2 LYS A 76 -11.852 -5.296 -25.938 1.00 74.10 H new ATOM 0 HE3 LYS A 76 -12.236 -6.988 -25.690 1.00 74.10 H new ATOM 0 HZ1 LYS A 76 -13.515 -6.056 -27.507 1.00 51.25 H new ATOM 0 HZ2 LYS A 76 -14.553 -6.515 -26.244 1.00 51.25 H new ATOM 0 HZ3 LYS A 76 -14.180 -4.875 -26.484 1.00 51.25 H new ATOM 1217 N ILE A 77 -13.945 -7.624 -18.927 1.00 12.14 N ATOM 1218 CA ILE A 77 -13.974 -7.616 -17.470 1.00 35.25 C ATOM 1219 C ILE A 77 -13.231 -8.819 -16.898 1.00 10.15 C ATOM 1220 O ILE A 77 -13.281 -9.915 -17.456 1.00 74.40 O ATOM 1221 CB ILE A 77 -15.419 -7.619 -16.936 1.00 11.42 C ATOM 1222 CG1 ILE A 77 -16.181 -6.399 -17.458 1.00 34.40 C ATOM 1223 CG2 ILE A 77 -15.422 -7.641 -15.414 1.00 3.52 C ATOM 1224 CD1 ILE A 77 -17.679 -6.496 -17.271 1.00 30.32 C ATOM 0 H ILE A 77 -14.547 -8.326 -19.358 1.00 12.14 H new ATOM 0 HA ILE A 77 -13.478 -6.700 -17.150 1.00 35.25 H new ATOM 0 HB ILE A 77 -15.921 -8.518 -17.294 1.00 11.42 H new ATOM 0 HG12 ILE A 77 -15.816 -5.507 -16.948 1.00 34.40 H new ATOM 0 HG13 ILE A 77 -15.963 -6.271 -18.518 1.00 34.40 H new ATOM 0 HG21 ILE A 77 -16.450 -7.643 -15.052 1.00 3.52 H new ATOM 0 HG22 ILE A 77 -14.912 -8.538 -15.062 1.00 3.52 H new ATOM 0 HG23 ILE A 77 -14.906 -6.758 -15.036 1.00 3.52 H new ATOM 0 HD11 ILE A 77 -18.154 -5.597 -17.664 1.00 30.32 H new ATOM 0 HD12 ILE A 77 -18.057 -7.368 -17.805 1.00 30.32 H new ATOM 0 HD13 ILE A 77 -17.908 -6.593 -16.210 1.00 30.32 H new ATOM 1236 N ASP A 78 -12.543 -8.607 -15.781 1.00 54.14 N ATOM 1237 CA ASP A 78 -11.791 -9.674 -15.132 1.00 70.12 C ATOM 1238 C ASP A 78 -12.732 -10.685 -14.485 1.00 72.30 C ATOM 1239 O ASP A 78 -13.256 -10.453 -13.395 1.00 24.13 O ATOM 1240 CB ASP A 78 -10.845 -9.094 -14.080 1.00 54.12 C ATOM 1241 CG ASP A 78 -9.641 -8.411 -14.698 1.00 70.22 C ATOM 1242 OD1 ASP A 78 -9.376 -8.646 -15.895 1.00 53.35 O ATOM 1243 OD2 ASP A 78 -8.962 -7.643 -13.984 1.00 31.52 O ATOM 0 H ASP A 78 -12.491 -7.706 -15.306 1.00 54.14 H new ATOM 0 HA ASP A 78 -11.204 -10.186 -15.894 1.00 70.12 H new ATOM 0 HB2 ASP A 78 -11.388 -8.378 -13.463 1.00 54.12 H new ATOM 0 HB3 ASP A 78 -10.507 -9.893 -13.420 1.00 54.12 H new ATOM 1248 N TYR A 79 -12.944 -11.808 -15.164 1.00 24.12 N ATOM 1249 CA TYR A 79 -13.825 -12.853 -14.657 1.00 22.33 C ATOM 1250 C TYR A 79 -13.021 -13.980 -14.015 1.00 65.01 C ATOM 1251 O TYR A 79 -12.061 -14.485 -14.599 1.00 50.20 O ATOM 1252 CB TYR A 79 -14.693 -13.411 -15.787 1.00 1.54 C ATOM 1253 CG TYR A 79 -13.895 -14.020 -16.919 1.00 15.43 C ATOM 1254 CD1 TYR A 79 -13.471 -13.246 -17.991 1.00 45.51 C ATOM 1255 CD2 TYR A 79 -13.567 -15.370 -16.914 1.00 51.25 C ATOM 1256 CE1 TYR A 79 -12.743 -13.798 -19.027 1.00 44.41 C ATOM 1257 CE2 TYR A 79 -12.838 -15.931 -17.946 1.00 15.42 C ATOM 1258 CZ TYR A 79 -12.429 -15.141 -19.000 1.00 2.21 C ATOM 1259 OH TYR A 79 -11.704 -15.694 -20.029 1.00 61.12 O ATOM 0 H TYR A 79 -12.518 -12.017 -16.067 1.00 24.12 H new ATOM 0 HA TYR A 79 -14.469 -12.412 -13.897 1.00 22.33 H new ATOM 0 HB2 TYR A 79 -15.364 -14.167 -15.379 1.00 1.54 H new ATOM 0 HB3 TYR A 79 -15.318 -12.610 -16.183 1.00 1.54 H new ATOM 0 HD1 TYR A 79 -13.715 -12.194 -18.015 1.00 45.51 H new ATOM 0 HD2 TYR A 79 -13.887 -15.991 -16.090 1.00 51.25 H new ATOM 0 HE1 TYR A 79 -12.421 -13.182 -19.853 1.00 44.41 H new ATOM 0 HE2 TYR A 79 -12.590 -16.982 -17.927 1.00 15.42 H new ATOM 0 HH TYR A 79 -11.567 -16.649 -19.856 1.00 61.12 H new ATOM 1269 N THR A 80 -13.419 -14.370 -12.808 1.00 53.25 N ATOM 1270 CA THR A 80 -12.737 -15.436 -12.086 1.00 11.33 C ATOM 1271 C THR A 80 -13.633 -16.660 -11.936 1.00 14.15 C ATOM 1272 O THR A 80 -14.718 -16.580 -11.358 1.00 61.10 O ATOM 1273 CB THR A 80 -12.287 -14.969 -10.689 1.00 74.14 C ATOM 1274 OG1 THR A 80 -11.696 -16.060 -9.974 1.00 72.43 O ATOM 1275 CG2 THR A 80 -13.463 -14.415 -9.898 1.00 70.02 C ATOM 0 H THR A 80 -14.211 -13.963 -12.310 1.00 53.25 H new ATOM 0 HA THR A 80 -11.858 -15.703 -12.673 1.00 11.33 H new ATOM 0 HB THR A 80 -11.549 -14.176 -10.816 1.00 74.14 H new ATOM 0 HG1 THR A 80 -11.411 -15.754 -9.088 1.00 72.43 H new ATOM 0 HG21 THR A 80 -13.120 -14.092 -8.915 1.00 70.02 H new ATOM 0 HG22 THR A 80 -13.892 -13.566 -10.430 1.00 70.02 H new ATOM 0 HG23 THR A 80 -14.220 -15.190 -9.781 1.00 70.02 H new ATOM 1283 N VAL A 81 -13.175 -17.792 -12.460 1.00 3.13 N ATOM 1284 CA VAL A 81 -13.935 -19.034 -12.381 1.00 61.20 C ATOM 1285 C VAL A 81 -13.512 -19.862 -11.173 1.00 70.03 C ATOM 1286 O VAL A 81 -12.351 -20.256 -11.051 1.00 54.34 O ATOM 1287 CB VAL A 81 -13.760 -19.880 -13.656 1.00 40.53 C ATOM 1288 CG1 VAL A 81 -14.439 -19.208 -14.840 1.00 64.42 C ATOM 1289 CG2 VAL A 81 -12.284 -20.115 -13.941 1.00 34.34 C ATOM 0 H VAL A 81 -12.281 -17.875 -12.944 1.00 3.13 H new ATOM 0 HA VAL A 81 -14.984 -18.757 -12.278 1.00 61.20 H new ATOM 0 HB VAL A 81 -14.235 -20.848 -13.497 1.00 40.53 H new ATOM 0 HG11 VAL A 81 -14.305 -19.820 -15.732 1.00 64.42 H new ATOM 0 HG12 VAL A 81 -15.503 -19.096 -14.634 1.00 64.42 H new ATOM 0 HG13 VAL A 81 -13.996 -18.226 -15.004 1.00 64.42 H new ATOM 0 HG21 VAL A 81 -12.179 -20.714 -14.845 1.00 34.34 H new ATOM 0 HG22 VAL A 81 -11.783 -19.157 -14.081 1.00 34.34 H new ATOM 0 HG23 VAL A 81 -11.831 -20.642 -13.102 1.00 34.34 H new ATOM 1299 N LEU A 82 -14.462 -20.124 -10.281 1.00 60.43 N ATOM 1300 CA LEU A 82 -14.189 -20.907 -9.082 1.00 0.53 C ATOM 1301 C LEU A 82 -14.853 -22.277 -9.163 1.00 63.41 C ATOM 1302 O LEU A 82 -16.074 -22.392 -9.062 1.00 23.40 O ATOM 1303 CB LEU A 82 -14.682 -20.161 -7.839 1.00 60.35 C ATOM 1304 CG LEU A 82 -13.611 -19.443 -7.019 1.00 3.05 C ATOM 1305 CD1 LEU A 82 -14.245 -18.411 -6.100 1.00 1.25 C ATOM 1306 CD2 LEU A 82 -12.793 -20.443 -6.216 1.00 20.52 C ATOM 0 H LEU A 82 -15.427 -19.805 -10.366 1.00 60.43 H new ATOM 0 HA LEU A 82 -13.111 -21.050 -9.009 1.00 0.53 H new ATOM 0 HB2 LEU A 82 -15.425 -19.427 -8.151 1.00 60.35 H new ATOM 0 HB3 LEU A 82 -15.191 -20.874 -7.190 1.00 60.35 H new ATOM 0 HG LEU A 82 -12.942 -18.926 -7.706 1.00 3.05 H new ATOM 0 HD11 LEU A 82 -13.467 -17.910 -5.524 1.00 1.25 H new ATOM 0 HD12 LEU A 82 -14.785 -17.676 -6.696 1.00 1.25 H new ATOM 0 HD13 LEU A 82 -14.938 -18.906 -5.420 1.00 1.25 H new ATOM 0 HD21 LEU A 82 -12.035 -19.913 -5.639 1.00 20.52 H new ATOM 0 HD22 LEU A 82 -13.449 -20.989 -5.539 1.00 20.52 H new ATOM 0 HD23 LEU A 82 -12.307 -21.144 -6.895 1.00 20.52 H new ATOM 1318 N GLN A 83 -14.040 -23.313 -9.343 1.00 60.21 N ATOM 1319 CA GLN A 83 -14.549 -24.677 -9.436 1.00 4.13 C ATOM 1320 C GLN A 83 -14.019 -25.535 -8.292 1.00 43.13 C ATOM 1321 O GLN A 83 -12.988 -25.224 -7.695 1.00 62.04 O ATOM 1322 CB GLN A 83 -14.160 -25.299 -10.779 1.00 1.32 C ATOM 1323 CG GLN A 83 -12.670 -25.562 -10.917 1.00 65.34 C ATOM 1324 CD GLN A 83 -12.328 -26.326 -12.182 1.00 62.02 C ATOM 1325 OE1 GLN A 83 -11.816 -27.444 -12.126 1.00 34.43 O ATOM 1326 NE2 GLN A 83 -12.608 -25.723 -13.332 1.00 14.02 N ATOM 0 H GLN A 83 -13.027 -23.234 -9.427 1.00 60.21 H new ATOM 0 HA GLN A 83 -15.636 -24.638 -9.363 1.00 4.13 H new ATOM 0 HB2 GLN A 83 -14.700 -26.238 -10.905 1.00 1.32 H new ATOM 0 HB3 GLN A 83 -14.480 -24.637 -11.583 1.00 1.32 H new ATOM 0 HG2 GLN A 83 -12.135 -24.612 -10.915 1.00 65.34 H new ATOM 0 HG3 GLN A 83 -12.322 -26.126 -10.051 1.00 65.34 H new ATOM 0 HE21 GLN A 83 -13.033 -24.796 -13.331 1.00 14.02 H new ATOM 0 HE22 GLN A 83 -12.398 -26.187 -14.216 1.00 14.02 H new ATOM 1335 N ASP A 84 -14.731 -26.616 -7.991 1.00 64.01 N ATOM 1336 CA ASP A 84 -14.332 -27.519 -6.919 1.00 64.52 C ATOM 1337 C ASP A 84 -13.606 -28.739 -7.479 1.00 21.54 C ATOM 1338 O ASP A 84 -13.928 -29.222 -8.563 1.00 3.33 O ATOM 1339 CB ASP A 84 -15.555 -27.964 -6.115 1.00 44.34 C ATOM 1340 CG ASP A 84 -15.220 -28.258 -4.666 1.00 42.34 C ATOM 1341 OD1 ASP A 84 -14.268 -27.643 -4.140 1.00 60.43 O ATOM 1342 OD2 ASP A 84 -15.910 -29.101 -4.057 1.00 54.15 O ATOM 0 H ASP A 84 -15.587 -26.888 -8.475 1.00 64.01 H new ATOM 0 HA ASP A 84 -13.650 -26.982 -6.260 1.00 64.52 H new ATOM 0 HB2 ASP A 84 -16.317 -27.186 -6.158 1.00 44.34 H new ATOM 0 HB3 ASP A 84 -15.983 -28.855 -6.574 1.00 44.34 H new ATOM 1347 N ASN A 85 -12.623 -29.232 -6.730 1.00 51.53 N ATOM 1348 CA ASN A 85 -11.850 -30.394 -7.152 1.00 62.22 C ATOM 1349 C ASN A 85 -11.213 -30.157 -8.518 1.00 54.24 C ATOM 1350 O ASN A 85 -11.581 -30.774 -9.518 1.00 22.31 O ATOM 1351 CB ASN A 85 -12.742 -31.635 -7.202 1.00 35.31 C ATOM 1352 CG ASN A 85 -11.948 -32.924 -7.112 1.00 4.43 C ATOM 1353 OD1 ASN A 85 -10.942 -32.997 -6.404 1.00 64.11 O ATOM 1354 ND2 ASN A 85 -12.395 -33.948 -7.828 1.00 41.55 N ATOM 0 H ASN A 85 -12.344 -28.844 -5.829 1.00 51.53 H new ATOM 0 HA ASN A 85 -11.056 -30.555 -6.423 1.00 62.22 H new ATOM 0 HB2 ASN A 85 -13.460 -31.596 -6.383 1.00 35.31 H new ATOM 0 HB3 ASN A 85 -13.316 -31.629 -8.129 1.00 35.31 H new ATOM 0 HD21 ASN A 85 -11.901 -34.840 -7.806 1.00 41.55 H new ATOM 0 HD22 ASN A 85 -13.233 -33.843 -8.401 1.00 41.55 H new ATOM 1361 N PRO A 86 -10.235 -29.240 -8.563 1.00 65.31 N ATOM 1362 CA PRO A 86 -9.525 -28.901 -9.801 1.00 25.02 C ATOM 1363 C PRO A 86 -8.621 -30.033 -10.280 1.00 11.41 C ATOM 1364 O PRO A 86 -8.149 -30.842 -9.482 1.00 24.01 O ATOM 1365 CB PRO A 86 -8.690 -27.681 -9.406 1.00 44.44 C ATOM 1366 CG PRO A 86 -8.496 -27.812 -7.935 1.00 13.41 C ATOM 1367 CD PRO A 86 -9.746 -28.465 -7.411 1.00 62.31 C ATOM 0 HA PRO A 86 -10.211 -28.717 -10.628 1.00 25.02 H new ATOM 0 HB2 PRO A 86 -7.735 -27.669 -9.931 1.00 44.44 H new ATOM 0 HB3 PRO A 86 -9.203 -26.753 -9.656 1.00 44.44 H new ATOM 0 HG2 PRO A 86 -7.616 -28.415 -7.709 1.00 13.41 H new ATOM 0 HG3 PRO A 86 -8.342 -26.837 -7.473 1.00 13.41 H new ATOM 0 HD2 PRO A 86 -9.536 -29.107 -6.555 1.00 62.31 H new ATOM 0 HD3 PRO A 86 -10.478 -27.727 -7.084 1.00 62.31 H new ATOM 1375 N ARG A 87 -8.386 -30.082 -11.586 1.00 65.44 N ATOM 1376 CA ARG A 87 -7.539 -31.115 -12.172 1.00 3.32 C ATOM 1377 C ARG A 87 -6.064 -30.805 -11.938 1.00 62.40 C ATOM 1378 O ARG A 87 -5.676 -29.645 -11.799 1.00 43.23 O ATOM 1379 CB ARG A 87 -7.814 -31.240 -13.671 1.00 33.52 C ATOM 1380 CG ARG A 87 -9.269 -31.537 -14.000 1.00 44.24 C ATOM 1381 CD ARG A 87 -9.424 -32.044 -15.426 1.00 35.51 C ATOM 1382 NE ARG A 87 -10.605 -32.890 -15.579 1.00 63.44 N ATOM 1383 CZ ARG A 87 -10.846 -33.627 -16.658 1.00 2.12 C ATOM 1384 NH1 ARG A 87 -9.992 -33.623 -17.672 1.00 22.43 N ATOM 1385 NH2 ARG A 87 -11.943 -34.371 -16.723 1.00 44.12 N ATOM 0 H ARG A 87 -8.770 -29.419 -12.259 1.00 65.44 H new ATOM 0 HA ARG A 87 -7.775 -32.062 -11.687 1.00 3.32 H new ATOM 0 HB2 ARG A 87 -7.520 -30.313 -14.164 1.00 33.52 H new ATOM 0 HB3 ARG A 87 -7.188 -32.032 -14.082 1.00 33.52 H new ATOM 0 HG2 ARG A 87 -9.656 -32.281 -13.304 1.00 44.24 H new ATOM 0 HG3 ARG A 87 -9.865 -30.634 -13.866 1.00 44.24 H new ATOM 0 HD2 ARG A 87 -9.495 -31.196 -16.107 1.00 35.51 H new ATOM 0 HD3 ARG A 87 -8.535 -32.607 -15.709 1.00 35.51 H new ATOM 0 HE ARG A 87 -11.281 -32.916 -14.816 1.00 63.44 H new ATOM 0 HH11 ARG A 87 -9.147 -33.053 -17.625 1.00 22.43 H new ATOM 0 HH12 ARG A 87 -10.180 -34.190 -18.499 1.00 22.43 H new ATOM 0 HH21 ARG A 87 -12.602 -34.377 -15.944 1.00 44.12 H new ATOM 0 HH22 ARG A 87 -12.127 -34.936 -17.552 1.00 44.12 H new ATOM 1399 N THR A 88 -5.244 -31.851 -11.897 1.00 31.21 N ATOM 1400 CA THR A 88 -3.811 -31.691 -11.679 1.00 55.23 C ATOM 1401 C THR A 88 -3.014 -32.671 -12.530 1.00 44.05 C ATOM 1402 O THR A 88 -3.266 -33.876 -12.508 1.00 60.05 O ATOM 1403 CB THR A 88 -3.442 -31.897 -10.197 1.00 62.14 C ATOM 1404 OG1 THR A 88 -4.171 -30.977 -9.379 1.00 14.42 O ATOM 1405 CG2 THR A 88 -1.949 -31.703 -9.980 1.00 73.43 C ATOM 0 H THR A 88 -5.548 -32.818 -12.012 1.00 31.21 H new ATOM 0 HA THR A 88 -3.558 -30.672 -11.970 1.00 55.23 H new ATOM 0 HB THR A 88 -3.704 -32.917 -9.918 1.00 62.14 H new ATOM 0 HG1 THR A 88 -3.932 -31.115 -8.439 1.00 14.42 H new ATOM 0 HG21 THR A 88 -1.712 -31.853 -8.927 1.00 73.43 H new ATOM 0 HG22 THR A 88 -1.397 -32.424 -10.583 1.00 73.43 H new ATOM 0 HG23 THR A 88 -1.667 -30.692 -10.275 1.00 73.43 H new ATOM 1413 N ILE A 89 -2.049 -32.148 -13.280 1.00 61.23 N ATOM 1414 CA ILE A 89 -1.212 -32.978 -14.137 1.00 71.24 C ATOM 1415 C ILE A 89 0.173 -33.173 -13.531 1.00 62.32 C ATOM 1416 O ILE A 89 0.659 -32.328 -12.780 1.00 62.42 O ATOM 1417 CB ILE A 89 -1.064 -32.366 -15.543 1.00 11.53 C ATOM 1418 CG1 ILE A 89 -0.451 -30.966 -15.451 1.00 23.53 C ATOM 1419 CG2 ILE A 89 -2.413 -32.313 -16.243 1.00 14.41 C ATOM 1420 CD1 ILE A 89 -0.113 -30.365 -16.797 1.00 21.15 C ATOM 0 H ILE A 89 -1.828 -31.153 -13.311 1.00 61.23 H new ATOM 0 HA ILE A 89 -1.708 -33.945 -14.221 1.00 71.24 H new ATOM 0 HB ILE A 89 -0.397 -32.998 -16.130 1.00 11.53 H new ATOM 0 HG12 ILE A 89 -1.147 -30.307 -14.932 1.00 23.53 H new ATOM 0 HG13 ILE A 89 0.454 -31.014 -14.846 1.00 23.53 H new ATOM 0 HG21 ILE A 89 -2.291 -31.878 -17.235 1.00 14.41 H new ATOM 0 HG22 ILE A 89 -2.815 -33.322 -16.336 1.00 14.41 H new ATOM 0 HG23 ILE A 89 -3.101 -31.701 -15.660 1.00 14.41 H new ATOM 0 HD11 ILE A 89 0.317 -29.373 -16.655 1.00 21.15 H new ATOM 0 HD12 ILE A 89 0.607 -31.003 -17.310 1.00 21.15 H new ATOM 0 HD13 ILE A 89 -1.019 -30.285 -17.398 1.00 21.15 H new ATOM 1432 N VAL A 90 0.806 -34.294 -13.864 1.00 13.21 N ATOM 1433 CA VAL A 90 2.137 -34.600 -13.355 1.00 62.13 C ATOM 1434 C VAL A 90 3.171 -33.618 -13.895 1.00 72.54 C ATOM 1435 O VAL A 90 3.218 -33.321 -15.090 1.00 12.14 O ATOM 1436 CB VAL A 90 2.565 -36.034 -13.726 1.00 53.41 C ATOM 1437 CG1 VAL A 90 2.534 -36.227 -15.234 1.00 34.02 C ATOM 1438 CG2 VAL A 90 3.947 -36.338 -13.169 1.00 42.31 C ATOM 0 H VAL A 90 0.418 -35.005 -14.484 1.00 13.21 H new ATOM 0 HA VAL A 90 2.088 -34.512 -12.270 1.00 62.13 H new ATOM 0 HB VAL A 90 1.857 -36.733 -13.280 1.00 53.41 H new ATOM 0 HG11 VAL A 90 2.839 -37.245 -15.477 1.00 34.02 H new ATOM 0 HG12 VAL A 90 1.523 -36.054 -15.602 1.00 34.02 H new ATOM 0 HG13 VAL A 90 3.218 -35.521 -15.705 1.00 34.02 H new ATOM 0 HG21 VAL A 90 4.233 -37.354 -13.440 1.00 42.31 H new ATOM 0 HG22 VAL A 90 4.669 -35.635 -13.584 1.00 42.31 H new ATOM 0 HG23 VAL A 90 3.931 -36.243 -12.083 1.00 42.31 H new ATOM 1448 N PRO A 91 4.022 -33.102 -12.997 1.00 10.21 N ATOM 1449 CA PRO A 91 5.072 -32.146 -13.360 1.00 63.01 C ATOM 1450 C PRO A 91 6.182 -32.788 -14.185 1.00 74.14 C ATOM 1451 O PRO A 91 6.496 -33.966 -14.013 1.00 33.34 O ATOM 1452 CB PRO A 91 5.615 -31.683 -12.005 1.00 14.03 C ATOM 1453 CG PRO A 91 5.314 -32.806 -11.074 1.00 14.54 C ATOM 1454 CD PRO A 91 4.025 -33.411 -11.557 1.00 51.33 C ATOM 0 HA PRO A 91 4.688 -31.337 -13.981 1.00 63.01 H new ATOM 0 HB2 PRO A 91 6.686 -31.485 -12.054 1.00 14.03 H new ATOM 0 HB3 PRO A 91 5.135 -30.760 -11.680 1.00 14.03 H new ATOM 0 HG2 PRO A 91 6.117 -33.543 -11.079 1.00 14.54 H new ATOM 0 HG3 PRO A 91 5.217 -32.448 -10.049 1.00 14.54 H new ATOM 0 HD2 PRO A 91 3.993 -34.485 -11.376 1.00 51.33 H new ATOM 0 HD3 PRO A 91 3.163 -32.977 -11.051 1.00 51.33 H new ATOM 1462 N LYS A 92 6.772 -32.008 -15.084 1.00 4.01 N ATOM 1463 CA LYS A 92 7.849 -32.500 -15.937 1.00 14.40 C ATOM 1464 C LYS A 92 9.185 -32.457 -15.204 1.00 63.30 C ATOM 1465 O LYS A 92 9.509 -31.472 -14.540 1.00 60.44 O ATOM 1466 CB LYS A 92 7.930 -31.670 -17.219 1.00 43.34 C ATOM 1467 CG LYS A 92 9.022 -32.127 -18.171 1.00 31.13 C ATOM 1468 CD LYS A 92 9.185 -31.166 -19.336 1.00 42.34 C ATOM 1469 CE LYS A 92 10.616 -31.153 -19.853 1.00 73.43 C ATOM 1470 NZ LYS A 92 10.983 -32.444 -20.498 1.00 23.02 N ATOM 0 H LYS A 92 6.523 -31.032 -15.241 1.00 4.01 H new ATOM 0 HA LYS A 92 7.631 -33.536 -16.196 1.00 14.40 H new ATOM 0 HB2 LYS A 92 6.970 -31.715 -17.732 1.00 43.34 H new ATOM 0 HB3 LYS A 92 8.102 -30.626 -16.956 1.00 43.34 H new ATOM 0 HG2 LYS A 92 9.965 -32.209 -17.631 1.00 31.13 H new ATOM 0 HG3 LYS A 92 8.784 -33.121 -18.549 1.00 31.13 H new ATOM 0 HD2 LYS A 92 8.509 -31.451 -20.142 1.00 42.34 H new ATOM 0 HD3 LYS A 92 8.901 -30.161 -19.023 1.00 42.34 H new ATOM 0 HE2 LYS A 92 10.736 -30.341 -20.571 1.00 73.43 H new ATOM 0 HE3 LYS A 92 11.299 -30.952 -19.028 1.00 73.43 H new ATOM 0 HZ1 LYS A 92 11.965 -32.396 -20.837 1.00 23.02 H new ATOM 0 HZ2 LYS A 92 10.893 -33.216 -19.806 1.00 23.02 H new ATOM 0 HZ3 LYS A 92 10.348 -32.624 -21.302 1.00 23.02 H new ATOM 1484 N SER A 93 9.959 -33.531 -15.331 1.00 22.02 N ATOM 1485 CA SER A 93 11.261 -33.616 -14.678 1.00 74.35 C ATOM 1486 C SER A 93 12.336 -34.052 -15.669 1.00 25.35 C ATOM 1487 O SER A 93 12.155 -35.013 -16.417 1.00 65.14 O ATOM 1488 CB SER A 93 11.203 -34.598 -13.506 1.00 32.41 C ATOM 1489 OG SER A 93 11.516 -35.914 -13.928 1.00 33.13 O ATOM 0 H SER A 93 9.707 -34.353 -15.879 1.00 22.02 H new ATOM 0 HA SER A 93 11.518 -32.626 -14.301 1.00 74.35 H new ATOM 0 HB2 SER A 93 11.902 -34.285 -12.730 1.00 32.41 H new ATOM 0 HB3 SER A 93 10.207 -34.582 -13.063 1.00 32.41 H new ATOM 0 HG SER A 93 11.474 -36.522 -13.161 1.00 33.13 H new ATOM 1495 N TYR A 94 13.456 -33.337 -15.668 1.00 12.13 N ATOM 1496 CA TYR A 94 14.561 -33.646 -16.567 1.00 32.15 C ATOM 1497 C TYR A 94 15.831 -32.913 -16.142 1.00 75.21 C ATOM 1498 O TYR A 94 15.892 -31.685 -16.176 1.00 31.42 O ATOM 1499 CB TYR A 94 14.198 -33.269 -18.003 1.00 53.04 C ATOM 1500 CG TYR A 94 15.334 -33.454 -18.984 1.00 53.02 C ATOM 1501 CD1 TYR A 94 15.732 -34.723 -19.386 1.00 33.32 C ATOM 1502 CD2 TYR A 94 16.009 -32.359 -19.509 1.00 41.22 C ATOM 1503 CE1 TYR A 94 16.771 -34.897 -20.280 1.00 54.43 C ATOM 1504 CE2 TYR A 94 17.048 -32.522 -20.406 1.00 73.22 C ATOM 1505 CZ TYR A 94 17.425 -33.793 -20.788 1.00 1.43 C ATOM 1506 OH TYR A 94 18.458 -33.961 -21.681 1.00 11.12 O ATOM 0 H TYR A 94 13.622 -32.539 -15.054 1.00 12.13 H new ATOM 0 HA TYR A 94 14.748 -34.719 -16.516 1.00 32.15 H new ATOM 0 HB2 TYR A 94 13.349 -33.873 -18.325 1.00 53.04 H new ATOM 0 HB3 TYR A 94 13.875 -32.228 -18.026 1.00 53.04 H new ATOM 0 HD1 TYR A 94 15.220 -35.589 -18.993 1.00 33.32 H new ATOM 0 HD2 TYR A 94 15.717 -31.363 -19.211 1.00 41.22 H new ATOM 0 HE1 TYR A 94 17.069 -35.891 -20.579 1.00 54.43 H new ATOM 0 HE2 TYR A 94 17.561 -31.660 -20.805 1.00 73.22 H new ATOM 0 HH TYR A 94 18.810 -33.085 -21.943 1.00 11.12 H new ATOM 1516 N ALA A 95 16.842 -33.679 -15.743 1.00 1.30 N ATOM 1517 CA ALA A 95 18.110 -33.104 -15.314 1.00 64.13 C ATOM 1518 C ALA A 95 19.091 -33.007 -16.478 1.00 72.25 C ATOM 1519 O ALA A 95 18.953 -33.711 -17.479 1.00 61.31 O ATOM 1520 CB ALA A 95 18.709 -33.930 -14.185 1.00 42.23 C ATOM 0 H ALA A 95 16.807 -34.698 -15.708 1.00 1.30 H new ATOM 0 HA ALA A 95 17.918 -32.095 -14.949 1.00 64.13 H new ATOM 0 HB1 ALA A 95 19.656 -33.489 -13.874 1.00 42.23 H new ATOM 0 HB2 ALA A 95 18.021 -33.944 -13.340 1.00 42.23 H new ATOM 0 HB3 ALA A 95 18.880 -34.949 -14.531 1.00 42.23 H new ATOM 1526 N ASP A 96 20.079 -32.130 -16.343 1.00 22.12 N ATOM 1527 CA ASP A 96 21.083 -31.941 -17.384 1.00 1.51 C ATOM 1528 C ASP A 96 22.455 -32.402 -16.904 1.00 22.10 C ATOM 1529 O ASP A 96 22.602 -32.887 -15.784 1.00 11.20 O ATOM 1530 CB ASP A 96 21.142 -30.472 -17.803 1.00 41.23 C ATOM 1531 CG ASP A 96 21.317 -29.538 -16.622 1.00 60.25 C ATOM 1532 OD1 ASP A 96 20.316 -29.266 -15.927 1.00 11.31 O ATOM 1533 OD2 ASP A 96 22.457 -29.081 -16.392 1.00 12.20 O ATOM 0 H ASP A 96 20.207 -31.538 -15.522 1.00 22.12 H new ATOM 0 HA ASP A 96 20.798 -32.545 -18.245 1.00 1.51 H new ATOM 0 HB2 ASP A 96 21.968 -30.329 -18.500 1.00 41.23 H new ATOM 0 HB3 ASP A 96 20.227 -30.212 -18.335 1.00 41.23 H new ATOM 1538 N ASN A 97 23.459 -32.247 -17.762 1.00 72.42 N ATOM 1539 CA ASN A 97 24.820 -32.649 -17.428 1.00 15.11 C ATOM 1540 C ASN A 97 25.687 -31.432 -17.122 1.00 40.23 C ATOM 1541 O ASN A 97 25.233 -30.292 -17.221 1.00 61.21 O ATOM 1542 CB ASN A 97 25.434 -33.452 -18.576 1.00 65.32 C ATOM 1543 CG ASN A 97 25.649 -32.610 -19.820 1.00 32.30 C ATOM 1544 OD1 ASN A 97 24.853 -31.721 -20.126 1.00 64.51 O ATOM 1545 ND2 ASN A 97 26.728 -32.887 -20.543 1.00 12.13 N ATOM 0 H ASN A 97 23.355 -31.846 -18.694 1.00 72.42 H new ATOM 0 HA ASN A 97 24.778 -33.276 -16.537 1.00 15.11 H new ATOM 0 HB2 ASN A 97 26.388 -33.870 -18.254 1.00 65.32 H new ATOM 0 HB3 ASN A 97 24.783 -34.292 -18.817 1.00 65.32 H new ATOM 0 HD21 ASN A 97 26.925 -32.354 -21.390 1.00 12.13 H new ATOM 0 HD22 ASN A 97 27.360 -33.633 -20.251 1.00 12.13 H new ATOM 1552 N PHE A 98 26.938 -31.682 -16.750 1.00 42.33 N ATOM 1553 CA PHE A 98 27.869 -30.607 -16.430 1.00 44.10 C ATOM 1554 C PHE A 98 29.308 -31.027 -16.721 1.00 14.45 C ATOM 1555 O PHE A 98 29.567 -32.167 -17.109 1.00 41.43 O ATOM 1556 CB PHE A 98 27.731 -30.205 -14.960 1.00 22.10 C ATOM 1557 CG PHE A 98 26.460 -29.463 -14.658 1.00 23.54 C ATOM 1558 CD1 PHE A 98 26.339 -28.117 -14.961 1.00 62.35 C ATOM 1559 CD2 PHE A 98 25.387 -30.114 -14.070 1.00 10.51 C ATOM 1560 CE1 PHE A 98 25.171 -27.433 -14.683 1.00 43.35 C ATOM 1561 CE2 PHE A 98 24.216 -29.434 -13.791 1.00 31.04 C ATOM 1562 CZ PHE A 98 24.108 -28.093 -14.099 1.00 23.10 C ATOM 0 H PHE A 98 27.330 -32.620 -16.663 1.00 42.33 H new ATOM 0 HA PHE A 98 27.625 -29.751 -17.059 1.00 44.10 H new ATOM 0 HB2 PHE A 98 27.775 -31.101 -14.341 1.00 22.10 H new ATOM 0 HB3 PHE A 98 28.581 -29.582 -14.681 1.00 22.10 H new ATOM 0 HD1 PHE A 98 27.167 -27.596 -15.420 1.00 62.35 H new ATOM 0 HD2 PHE A 98 25.466 -31.163 -13.827 1.00 10.51 H new ATOM 0 HE1 PHE A 98 25.090 -26.383 -14.922 1.00 43.35 H new ATOM 0 HE2 PHE A 98 23.386 -29.952 -13.332 1.00 31.04 H new ATOM 0 HZ PHE A 98 23.193 -27.561 -13.884 1.00 23.10 H new ATOM 1572 N THR A 99 30.239 -30.098 -16.532 1.00 22.22 N ATOM 1573 CA THR A 99 31.650 -30.371 -16.775 1.00 22.12 C ATOM 1574 C THR A 99 32.524 -29.215 -16.301 1.00 15.31 C ATOM 1575 O THR A 99 32.186 -28.047 -16.497 1.00 73.20 O ATOM 1576 CB THR A 99 31.924 -30.626 -18.269 1.00 1.42 C ATOM 1577 OG1 THR A 99 33.290 -31.009 -18.458 1.00 63.45 O ATOM 1578 CG2 THR A 99 31.620 -29.384 -19.094 1.00 60.43 C ATOM 0 H THR A 99 30.042 -29.150 -16.211 1.00 22.22 H new ATOM 0 HA THR A 99 31.900 -31.268 -16.209 1.00 22.12 H new ATOM 0 HB THR A 99 31.272 -31.433 -18.603 1.00 1.42 H new ATOM 0 HG1 THR A 99 33.456 -31.171 -19.410 1.00 63.45 H new ATOM 0 HG21 THR A 99 31.821 -29.588 -20.146 1.00 60.43 H new ATOM 0 HG22 THR A 99 30.571 -29.113 -18.971 1.00 60.43 H new ATOM 0 HG23 THR A 99 32.250 -28.560 -18.757 1.00 60.43 H new ATOM 1586 N LYS A 100 33.648 -29.546 -15.676 1.00 34.23 N ATOM 1587 CA LYS A 100 34.572 -28.536 -15.174 1.00 53.13 C ATOM 1588 C LYS A 100 35.464 -28.010 -16.295 1.00 14.42 C ATOM 1589 O LYS A 100 35.631 -28.645 -17.336 1.00 50.40 O ATOM 1590 CB LYS A 100 35.435 -29.117 -14.051 1.00 62.15 C ATOM 1591 CG LYS A 100 34.844 -28.919 -12.666 1.00 71.12 C ATOM 1592 CD LYS A 100 34.559 -30.248 -11.987 1.00 32.33 C ATOM 1593 CE LYS A 100 35.813 -30.832 -11.355 1.00 43.13 C ATOM 1594 NZ LYS A 100 35.503 -31.613 -10.126 1.00 2.42 N ATOM 0 H LYS A 100 33.942 -30.508 -15.505 1.00 34.23 H new ATOM 0 HA LYS A 100 33.985 -27.706 -14.780 1.00 53.13 H new ATOM 0 HB2 LYS A 100 35.577 -30.183 -14.227 1.00 62.15 H new ATOM 0 HB3 LYS A 100 36.421 -28.654 -14.086 1.00 62.15 H new ATOM 0 HG2 LYS A 100 35.534 -28.337 -12.055 1.00 71.12 H new ATOM 0 HG3 LYS A 100 33.922 -28.343 -12.742 1.00 71.12 H new ATOM 0 HD2 LYS A 100 33.795 -30.110 -11.222 1.00 32.33 H new ATOM 0 HD3 LYS A 100 34.157 -30.951 -12.716 1.00 32.33 H new ATOM 0 HE2 LYS A 100 36.317 -31.475 -12.076 1.00 43.13 H new ATOM 0 HE3 LYS A 100 36.504 -30.026 -11.108 1.00 43.13 H new ATOM 0 HZ1 LYS A 100 36.384 -31.994 -9.726 1.00 2.42 H new ATOM 0 HZ2 LYS A 100 35.045 -30.994 -9.427 1.00 2.42 H new ATOM 0 HZ3 LYS A 100 34.864 -32.398 -10.365 1.00 2.42 H new ATOM 1608 N PRO A 101 36.049 -26.823 -16.078 1.00 1.11 N ATOM 1609 CA PRO A 101 36.935 -26.187 -17.057 1.00 71.24 C ATOM 1610 C PRO A 101 38.261 -26.925 -17.206 1.00 22.40 C ATOM 1611 O PRO A 101 38.857 -27.355 -16.218 1.00 32.21 O ATOM 1612 CB PRO A 101 37.163 -24.790 -16.475 1.00 32.23 C ATOM 1613 CG PRO A 101 36.950 -24.951 -15.009 1.00 55.43 C ATOM 1614 CD PRO A 101 35.893 -26.011 -14.860 1.00 32.54 C ATOM 0 HA PRO A 101 36.500 -26.182 -18.056 1.00 71.24 H new ATOM 0 HB2 PRO A 101 38.169 -24.430 -16.692 1.00 32.23 H new ATOM 0 HB3 PRO A 101 36.467 -24.066 -16.899 1.00 32.23 H new ATOM 0 HG2 PRO A 101 37.873 -25.247 -14.510 1.00 55.43 H new ATOM 0 HG3 PRO A 101 36.629 -24.013 -14.556 1.00 55.43 H new ATOM 0 HD2 PRO A 101 36.044 -26.605 -13.959 1.00 32.54 H new ATOM 0 HD3 PRO A 101 34.896 -25.577 -14.792 1.00 32.54 H new ATOM 1622 N ARG A 102 38.718 -27.069 -18.446 1.00 14.51 N ATOM 1623 CA ARG A 102 39.973 -27.756 -18.722 1.00 31.20 C ATOM 1624 C ARG A 102 41.105 -26.755 -18.936 1.00 74.33 C ATOM 1625 O ARG A 102 41.579 -26.569 -20.056 1.00 50.05 O ATOM 1626 CB ARG A 102 39.829 -28.650 -19.956 1.00 21.34 C ATOM 1627 CG ARG A 102 40.836 -29.786 -20.005 1.00 62.44 C ATOM 1628 CD ARG A 102 42.069 -29.403 -20.809 1.00 23.55 C ATOM 1629 NE ARG A 102 43.181 -29.005 -19.949 1.00 53.52 N ATOM 1630 CZ ARG A 102 44.398 -28.728 -20.403 1.00 5.44 C ATOM 1631 NH1 ARG A 102 44.660 -28.806 -21.700 1.00 73.24 N ATOM 1632 NH2 ARG A 102 45.357 -28.371 -19.558 1.00 60.31 N ATOM 0 H ARG A 102 38.237 -26.719 -19.275 1.00 14.51 H new ATOM 0 HA ARG A 102 40.217 -28.375 -17.859 1.00 31.20 H new ATOM 0 HB2 ARG A 102 38.822 -29.067 -19.977 1.00 21.34 H new ATOM 0 HB3 ARG A 102 39.939 -28.039 -20.852 1.00 21.34 H new ATOM 0 HG2 ARG A 102 41.131 -30.056 -18.991 1.00 62.44 H new ATOM 0 HG3 ARG A 102 40.371 -30.667 -20.447 1.00 62.44 H new ATOM 0 HD2 ARG A 102 42.374 -30.246 -21.429 1.00 23.55 H new ATOM 0 HD3 ARG A 102 41.822 -28.584 -21.484 1.00 23.55 H new ATOM 0 HE ARG A 102 43.014 -28.936 -18.945 1.00 53.52 H new ATOM 0 HH11 ARG A 102 43.926 -29.079 -22.353 1.00 73.24 H new ATOM 0 HH12 ARG A 102 45.596 -28.592 -22.045 1.00 73.24 H new ATOM 0 HH21 ARG A 102 45.160 -28.309 -18.559 1.00 60.31 H new ATOM 0 HH22 ARG A 102 46.291 -28.158 -19.907 1.00 60.31 H new ATOM 1646 N ASP A 103 41.533 -26.115 -17.853 1.00 63.44 N ATOM 1647 CA ASP A 103 42.610 -25.135 -17.922 1.00 43.41 C ATOM 1648 C ASP A 103 42.993 -24.650 -16.527 1.00 71.22 C ATOM 1649 O ASP A 103 42.129 -24.379 -15.694 1.00 31.21 O ATOM 1650 CB ASP A 103 42.193 -23.946 -18.790 1.00 34.32 C ATOM 1651 CG ASP A 103 43.382 -23.183 -19.337 1.00 41.11 C ATOM 1652 OD1 ASP A 103 43.901 -23.575 -20.404 1.00 71.10 O ATOM 1653 OD2 ASP A 103 43.794 -22.192 -18.699 1.00 51.10 O ATOM 0 H ASP A 103 41.151 -26.257 -16.918 1.00 63.44 H new ATOM 0 HA ASP A 103 43.478 -25.617 -18.372 1.00 43.41 H new ATOM 0 HB2 ASP A 103 41.581 -24.302 -19.619 1.00 34.32 H new ATOM 0 HB3 ASP A 103 41.571 -23.271 -18.202 1.00 34.32 H new ATOM 1658 N MET A 104 44.295 -24.544 -16.280 1.00 31.43 N ATOM 1659 CA MET A 104 44.792 -24.093 -14.985 1.00 35.52 C ATOM 1660 C MET A 104 45.523 -22.761 -15.118 1.00 13.23 C ATOM 1661 O MET A 104 46.063 -22.439 -16.177 1.00 74.45 O ATOM 1662 CB MET A 104 45.727 -25.143 -14.379 1.00 55.44 C ATOM 1663 CG MET A 104 46.274 -24.753 -13.015 1.00 74.54 C ATOM 1664 SD MET A 104 47.248 -26.069 -12.258 1.00 54.22 S ATOM 1665 CE MET A 104 48.874 -25.709 -12.918 1.00 53.30 C ATOM 0 H MET A 104 45.024 -24.764 -16.959 1.00 31.43 H new ATOM 0 HA MET A 104 43.937 -23.954 -14.324 1.00 35.52 H new ATOM 0 HB2 MET A 104 45.190 -26.088 -14.290 1.00 55.44 H new ATOM 0 HB3 MET A 104 46.560 -25.313 -15.061 1.00 55.44 H new ATOM 0 HG2 MET A 104 46.892 -23.861 -13.117 1.00 74.54 H new ATOM 0 HG3 MET A 104 45.446 -24.494 -12.356 1.00 74.54 H new ATOM 0 HE1 MET A 104 49.590 -26.439 -12.540 1.00 53.30 H new ATOM 0 HE2 MET A 104 48.844 -25.760 -14.006 1.00 53.30 H new ATOM 0 HE3 MET A 104 49.179 -24.709 -12.610 1.00 53.30 H new TER 1675 MET A 104