USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 SER OG : rot 180:sc= 0.0279 USER MOD Set 1.2: A 95 THR OG1 : rot -79:sc= -2.38! USER MOD Set 2.1: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 77 ASN : amide:sc= -0.794 K(o=-0.79,f=0.2) USER MOD Set 3.1: A 69 HIS : no HD1:sc= -0.791 K(o=-1.3,f=0.0077) USER MOD Set 3.2: A 71 ASN : amide:sc= -0.538 K(o=-1.3,f=-0.76) USER MOD Set 4.1: A 29 TYR OH : rot 180:sc= 1.04 USER MOD Set 4.2: A 51 LYS NZ :NH3+ -155:sc= 1.23 (180deg=0) USER MOD Set 5.1: A 24 ASN : amide:sc= -6.58! C(o=-8.4!,f=-7.4!) USER MOD Set 5.2: A 26 HIS : no HE2:sc= 0.159 K(o=-8.4,f=-13) USER MOD Set 5.3: A 36 THR OG1 : rot -55:sc= -2.83! USER MOD Set 5.4: A 88 THR OG1 : rot -52:sc= 0.852 USER MOD Set 6.1: A 23 CYS SG : rot 180:sc= -0.118 USER MOD Set 6.2: A 25 HIS : no HD1:sc= -2.4 K(o=-1.9,f=0.79) USER MOD Set 6.3: A 87 SER OG : rot -166:sc= 0.583 USER MOD Single : A 19 SER OG : rot -34:sc= 0.188 USER MOD Single : A 22 GLN : amide:sc= -2.05! K(o=-2.1!,f=-0.15) USER MOD Single : A 30 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.092) USER MOD Single : A 33 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.67! X(o=-1.7!,f=-1.6) USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= 1.08 (180deg=0.949) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.508 K(o=0.51,f=-6.3!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 70 CYS SG : rot 31:sc= -0.972 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 160:sc= -0.216 (180deg=-0.752) USER MOD Single : A 83 SER OG : rot -72:sc= 0.173 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 20.092 -1.083 -1.435 1.00 0.00 N ATOM 2 CA SER A 19 19.993 0.178 -2.195 1.00 0.00 C ATOM 3 C SER A 19 18.531 0.588 -2.341 1.00 0.00 C ATOM 4 O SER A 19 17.685 0.167 -1.545 1.00 0.00 O ATOM 5 CB SER A 19 20.645 -0.003 -3.567 1.00 0.00 C ATOM 6 OG SER A 19 20.131 -1.148 -4.226 1.00 0.00 O ATOM 0 HA SER A 19 20.516 0.970 -1.658 1.00 0.00 H new ATOM 0 HB2 SER A 19 20.468 0.883 -4.177 1.00 0.00 H new ATOM 0 HB3 SER A 19 21.724 -0.100 -3.451 1.00 0.00 H new ATOM 0 HG SER A 19 19.935 -1.845 -3.566 1.00 0.00 H new ATOM 14 N PHE A 20 18.236 1.417 -3.340 1.00 0.00 N ATOM 15 CA PHE A 20 16.860 1.790 -3.639 1.00 0.00 C ATOM 16 C PHE A 20 16.030 0.547 -3.936 1.00 0.00 C ATOM 17 O PHE A 20 16.468 -0.361 -4.647 1.00 0.00 O ATOM 18 CB PHE A 20 16.792 2.776 -4.812 1.00 0.00 C ATOM 19 CG PHE A 20 17.477 2.297 -6.062 1.00 0.00 C ATOM 20 CD1 PHE A 20 18.846 2.435 -6.213 1.00 0.00 C ATOM 21 CD2 PHE A 20 16.749 1.710 -7.083 1.00 0.00 C ATOM 22 CE1 PHE A 20 19.478 1.994 -7.359 1.00 0.00 C ATOM 23 CE2 PHE A 20 17.374 1.267 -8.232 1.00 0.00 C ATOM 24 CZ PHE A 20 18.741 1.409 -8.369 1.00 0.00 C ATOM 0 H PHE A 20 18.932 1.841 -3.954 1.00 0.00 H new ATOM 0 HA PHE A 20 16.447 2.289 -2.762 1.00 0.00 H new ATOM 0 HB2 PHE A 20 15.746 2.980 -5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 20 17.241 3.720 -4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 20 19.426 2.893 -5.426 1.00 0.00 H new ATOM 0 HD2 PHE A 20 15.680 1.597 -6.980 1.00 0.00 H new ATOM 0 HE1 PHE A 20 20.547 2.107 -7.465 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.795 0.811 -9.021 1.00 0.00 H new ATOM 0 HZ PHE A 20 19.233 1.063 -9.266 1.00 0.00 H new ATOM 34 N VAL A 21 14.836 0.514 -3.382 1.00 0.00 N ATOM 35 CA VAL A 21 13.998 -0.667 -3.451 1.00 0.00 C ATOM 36 C VAL A 21 12.547 -0.305 -3.752 1.00 0.00 C ATOM 37 O VAL A 21 12.019 0.688 -3.246 1.00 0.00 O ATOM 38 CB VAL A 21 14.091 -1.462 -2.128 1.00 0.00 C ATOM 39 CG1 VAL A 21 13.899 -0.529 -0.952 1.00 0.00 C ATOM 40 CG2 VAL A 21 13.080 -2.596 -2.072 1.00 0.00 C ATOM 0 H VAL A 21 14.421 1.296 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 21 14.361 -1.290 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 21 15.083 -1.910 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.966 -1.096 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.674 0.238 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.919 -0.056 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.181 -3.127 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.072 -2.189 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.261 -3.286 -2.896 1.00 0.00 H new ATOM 50 N GLN A 22 11.921 -1.102 -4.603 1.00 0.00 N ATOM 51 CA GLN A 22 10.512 -0.942 -4.894 1.00 0.00 C ATOM 52 C GLN A 22 9.767 -2.190 -4.443 1.00 0.00 C ATOM 53 O GLN A 22 10.269 -3.305 -4.591 1.00 0.00 O ATOM 54 CB GLN A 22 10.298 -0.669 -6.387 1.00 0.00 C ATOM 55 CG GLN A 22 10.733 -1.793 -7.312 1.00 0.00 C ATOM 56 CD GLN A 22 9.555 -2.535 -7.905 1.00 0.00 C ATOM 57 OE1 GLN A 22 9.045 -2.169 -8.961 1.00 0.00 O ATOM 58 NE2 GLN A 22 9.119 -3.590 -7.236 1.00 0.00 N ATOM 0 H GLN A 22 12.371 -1.868 -5.104 1.00 0.00 H new ATOM 0 HA GLN A 22 10.119 -0.083 -4.350 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.240 -0.467 -6.557 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.842 0.236 -6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.344 -1.383 -8.116 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.360 -2.493 -6.760 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.570 -3.862 -6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.332 -4.132 -7.594 1.00 0.00 H new ATOM 67 N CYS A 23 8.578 -2.013 -3.897 1.00 0.00 N ATOM 68 CA CYS A 23 7.872 -3.119 -3.278 1.00 0.00 C ATOM 69 C CYS A 23 6.368 -2.976 -3.440 1.00 0.00 C ATOM 70 O CYS A 23 5.863 -1.903 -3.770 1.00 0.00 O ATOM 71 CB CYS A 23 8.231 -3.183 -1.794 1.00 0.00 C ATOM 72 SG CYS A 23 7.933 -1.641 -0.901 1.00 0.00 S ATOM 0 H CYS A 23 8.084 -1.121 -3.869 1.00 0.00 H new ATOM 0 HA CYS A 23 8.176 -4.041 -3.774 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.654 -3.980 -1.325 1.00 0.00 H new ATOM 0 HB3 CYS A 23 9.283 -3.451 -1.696 1.00 0.00 H new ATOM 0 HG CYS A 23 8.264 -1.791 0.347 1.00 0.00 H new ATOM 78 N ASN A 24 5.658 -4.067 -3.209 1.00 0.00 N ATOM 79 CA ASN A 24 4.210 -4.051 -3.250 1.00 0.00 C ATOM 80 C ASN A 24 3.670 -3.474 -1.952 1.00 0.00 C ATOM 81 O ASN A 24 3.880 -4.029 -0.875 1.00 0.00 O ATOM 82 CB ASN A 24 3.650 -5.458 -3.498 1.00 0.00 C ATOM 83 CG ASN A 24 4.405 -6.542 -2.753 1.00 0.00 C ATOM 84 OD1 ASN A 24 4.121 -6.841 -1.593 1.00 0.00 O ATOM 85 ND2 ASN A 24 5.364 -7.157 -3.430 1.00 0.00 N ATOM 0 H ASN A 24 6.064 -4.977 -2.991 1.00 0.00 H new ATOM 0 HA ASN A 24 3.889 -3.420 -4.079 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.602 -5.483 -3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.681 -5.671 -4.566 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.897 -7.908 -2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.569 -6.880 -4.390 1.00 0.00 H new ATOM 92 N HIS A 25 3.007 -2.334 -2.059 1.00 0.00 N ATOM 93 CA HIS A 25 2.451 -1.659 -0.895 1.00 0.00 C ATOM 94 C HIS A 25 1.103 -2.272 -0.556 1.00 0.00 C ATOM 95 O HIS A 25 0.203 -2.302 -1.393 1.00 0.00 O ATOM 96 CB HIS A 25 2.308 -0.156 -1.161 1.00 0.00 C ATOM 97 CG HIS A 25 3.603 0.530 -1.494 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.828 -0.094 -1.407 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.861 1.789 -1.924 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.780 0.749 -1.765 1.00 0.00 C ATOM 101 NE2 HIS A 25 5.222 1.900 -2.085 1.00 0.00 N ATOM 0 H HIS A 25 2.840 -1.854 -2.943 1.00 0.00 H new ATOM 0 HA HIS A 25 3.126 -1.787 -0.049 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.608 -0.008 -1.983 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.872 0.319 -0.282 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.131 2.564 -2.107 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.838 0.532 -1.791 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.718 2.734 -2.400 1.00 0.00 H new ATOM 110 N HIS A 26 0.979 -2.785 0.656 1.00 0.00 N ATOM 111 CA HIS A 26 -0.222 -3.509 1.060 1.00 0.00 C ATOM 112 C HIS A 26 -1.259 -2.576 1.655 1.00 0.00 C ATOM 113 O HIS A 26 -0.925 -1.676 2.419 1.00 0.00 O ATOM 114 CB HIS A 26 0.110 -4.593 2.090 1.00 0.00 C ATOM 115 CG HIS A 26 0.824 -5.782 1.526 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.629 -7.061 1.992 1.00 0.00 N ATOM 117 CD2 HIS A 26 1.739 -5.882 0.535 1.00 0.00 C ATOM 118 CE1 HIS A 26 1.389 -7.894 1.313 1.00 0.00 C ATOM 119 NE2 HIS A 26 2.074 -7.205 0.421 1.00 0.00 N ATOM 0 H HIS A 26 1.694 -2.715 1.380 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.629 -3.970 0.160 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.724 -4.154 2.876 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.815 -4.928 2.558 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -0.006 -7.323 2.746 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.133 -5.069 -0.057 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.443 -8.962 1.461 1.00 0.00 H new ATOM 128 N LEU A 27 -2.512 -2.798 1.298 1.00 0.00 N ATOM 129 CA LEU A 27 -3.619 -2.120 1.945 1.00 0.00 C ATOM 130 C LEU A 27 -4.378 -3.140 2.784 1.00 0.00 C ATOM 131 O LEU A 27 -4.708 -4.233 2.306 1.00 0.00 O ATOM 132 CB LEU A 27 -4.545 -1.465 0.905 1.00 0.00 C ATOM 133 CG LEU A 27 -5.448 -0.327 1.424 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.501 -0.847 2.381 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.619 0.745 2.113 1.00 0.00 C ATOM 0 H LEU A 27 -2.788 -3.446 0.560 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.242 -1.323 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.929 -1.073 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.181 -2.239 0.475 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.951 0.107 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.119 -0.019 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.127 -1.579 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.015 -1.319 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.275 1.538 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.086 0.306 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.901 1.160 1.406 1.00 0.00 H new ATOM 147 N LEU A 28 -4.627 -2.790 4.033 1.00 0.00 N ATOM 148 CA LEU A 28 -5.303 -3.677 4.958 1.00 0.00 C ATOM 149 C LEU A 28 -6.770 -3.305 5.097 1.00 0.00 C ATOM 150 O LEU A 28 -7.116 -2.172 5.447 1.00 0.00 O ATOM 151 CB LEU A 28 -4.621 -3.639 6.324 1.00 0.00 C ATOM 152 CG LEU A 28 -4.096 -4.985 6.820 1.00 0.00 C ATOM 153 CD1 LEU A 28 -5.233 -5.982 7.008 1.00 0.00 C ATOM 154 CD2 LEU A 28 -3.049 -5.523 5.858 1.00 0.00 C ATOM 0 H LEU A 28 -4.367 -1.888 4.432 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.243 -4.690 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.789 -2.936 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.328 -3.250 7.056 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.628 -4.837 7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.830 -6.931 7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.941 -5.593 7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.743 -6.136 6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.681 -6.483 6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.494 -5.654 4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.220 -4.818 5.791 1.00 0.00 H new ATOM 166 N TYR A 29 -7.621 -4.273 4.824 1.00 0.00 N ATOM 167 CA TYR A 29 -9.056 -4.095 4.928 1.00 0.00 C ATOM 168 C TYR A 29 -9.485 -4.603 6.292 1.00 0.00 C ATOM 169 O TYR A 29 -8.815 -5.465 6.858 1.00 0.00 O ATOM 170 CB TYR A 29 -9.755 -4.877 3.807 1.00 0.00 C ATOM 171 CG TYR A 29 -11.169 -4.431 3.507 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.406 -3.256 2.805 1.00 0.00 C ATOM 173 CD2 TYR A 29 -12.264 -5.191 3.899 1.00 0.00 C ATOM 174 CE1 TYR A 29 -12.691 -2.849 2.506 1.00 0.00 C ATOM 175 CE2 TYR A 29 -13.554 -4.792 3.598 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.759 -3.622 2.901 1.00 0.00 C ATOM 177 OH TYR A 29 -15.040 -3.223 2.595 1.00 0.00 O ATOM 0 H TYR A 29 -7.338 -5.206 4.524 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.329 -3.045 4.823 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.161 -4.789 2.897 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.772 -5.933 4.076 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.570 -2.650 2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.106 -6.108 4.447 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.857 -1.929 1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -14.395 -5.394 3.908 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.679 -3.879 2.944 1.00 0.00 H new ATOM 187 N ASN A 30 -10.563 -4.053 6.839 1.00 0.00 N ATOM 188 CA ASN A 30 -11.044 -4.478 8.153 1.00 0.00 C ATOM 189 C ASN A 30 -11.335 -5.974 8.157 1.00 0.00 C ATOM 190 O ASN A 30 -12.372 -6.422 7.663 1.00 0.00 O ATOM 191 CB ASN A 30 -12.293 -3.694 8.562 1.00 0.00 C ATOM 192 CG ASN A 30 -11.987 -2.262 8.970 1.00 0.00 C ATOM 193 OD1 ASN A 30 -12.794 -1.356 8.754 1.00 0.00 O ATOM 194 ND2 ASN A 30 -10.832 -2.046 9.581 1.00 0.00 N ATOM 0 H ASN A 30 -11.118 -3.318 6.400 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.259 -4.271 8.881 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.999 -3.687 7.732 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.782 -4.206 9.391 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.586 -1.105 9.890 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.188 -2.820 9.743 1.00 0.00 H new ATOM 201 N GLY A 31 -10.401 -6.737 8.706 1.00 0.00 N ATOM 202 CA GLY A 31 -10.529 -8.174 8.730 1.00 0.00 C ATOM 203 C GLY A 31 -9.331 -8.878 8.114 1.00 0.00 C ATOM 204 O GLY A 31 -8.664 -9.671 8.780 1.00 0.00 O ATOM 0 H GLY A 31 -9.550 -6.379 9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.651 -8.507 9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.432 -8.464 8.192 1.00 0.00 H new ATOM 208 N ARG A 32 -9.028 -8.563 6.853 1.00 0.00 N ATOM 209 CA ARG A 32 -8.021 -9.309 6.097 1.00 0.00 C ATOM 210 C ARG A 32 -7.277 -8.418 5.110 1.00 0.00 C ATOM 211 O ARG A 32 -7.565 -7.228 4.983 1.00 0.00 O ATOM 212 CB ARG A 32 -8.669 -10.461 5.316 1.00 0.00 C ATOM 213 CG ARG A 32 -9.259 -11.556 6.187 1.00 0.00 C ATOM 214 CD ARG A 32 -8.195 -12.230 7.035 1.00 0.00 C ATOM 215 NE ARG A 32 -7.190 -12.919 6.226 1.00 0.00 N ATOM 216 CZ ARG A 32 -6.366 -13.846 6.705 1.00 0.00 C ATOM 217 NH1 ARG A 32 -6.364 -14.122 8.003 1.00 0.00 N ATOM 218 NH2 ARG A 32 -5.522 -14.470 5.895 1.00 0.00 N ATOM 0 H ARG A 32 -9.464 -7.799 6.336 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.312 -9.701 6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.456 -10.055 4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.922 -10.902 4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.027 -11.133 6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.748 -12.299 5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.705 -11.483 7.659 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.669 -12.945 7.707 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.117 -12.674 5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.994 -13.623 8.631 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.733 -14.833 8.372 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.504 -14.239 4.902 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.891 -15.181 6.265 1.00 0.00 H new ATOM 232 N HIS A 33 -6.323 -9.022 4.409 1.00 0.00 N ATOM 233 CA HIS A 33 -5.600 -8.362 3.333 1.00 0.00 C ATOM 234 C HIS A 33 -6.564 -7.980 2.212 1.00 0.00 C ATOM 235 O HIS A 33 -7.388 -8.793 1.800 1.00 0.00 O ATOM 236 CB HIS A 33 -4.516 -9.315 2.805 1.00 0.00 C ATOM 237 CG HIS A 33 -3.863 -8.881 1.528 1.00 0.00 C ATOM 238 ND1 HIS A 33 -2.674 -8.195 1.491 1.00 0.00 N ATOM 239 CD2 HIS A 33 -4.239 -9.051 0.238 1.00 0.00 C ATOM 240 CE1 HIS A 33 -2.344 -7.955 0.237 1.00 0.00 C ATOM 241 NE2 HIS A 33 -3.277 -8.467 -0.542 1.00 0.00 N ATOM 0 H HIS A 33 -6.030 -9.985 4.573 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.132 -7.451 3.707 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.747 -9.427 3.570 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.960 -10.299 2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -5.130 -9.553 -0.110 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.461 -7.429 -0.095 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.281 -8.433 -1.561 1.00 0.00 H new ATOM 250 N TRP A 34 -6.459 -6.753 1.719 1.00 0.00 N ATOM 251 CA TRP A 34 -7.331 -6.312 0.640 1.00 0.00 C ATOM 252 C TRP A 34 -6.610 -6.352 -0.704 1.00 0.00 C ATOM 253 O TRP A 34 -7.042 -7.036 -1.628 1.00 0.00 O ATOM 254 CB TRP A 34 -7.842 -4.893 0.906 1.00 0.00 C ATOM 255 CG TRP A 34 -8.872 -4.454 -0.085 1.00 0.00 C ATOM 256 CD1 TRP A 34 -10.213 -4.686 -0.018 1.00 0.00 C ATOM 257 CD2 TRP A 34 -8.649 -3.726 -1.301 1.00 0.00 C ATOM 258 NE1 TRP A 34 -10.840 -4.148 -1.110 1.00 0.00 N ATOM 259 CE2 TRP A 34 -9.901 -3.554 -1.916 1.00 0.00 C ATOM 260 CE3 TRP A 34 -7.512 -3.201 -1.929 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -10.051 -2.886 -3.125 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -7.663 -2.538 -3.132 1.00 0.00 C ATOM 263 CH2 TRP A 34 -8.924 -2.386 -3.719 1.00 0.00 C ATOM 0 H TRP A 34 -5.789 -6.055 2.043 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.178 -6.997 0.601 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.266 -4.846 1.909 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -7.002 -4.199 0.882 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.709 -5.217 0.781 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.843 -4.183 -1.295 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.536 -3.312 -1.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.023 -2.766 -3.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.794 -2.131 -3.627 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.010 -1.863 -4.660 1.00 0.00 H new ATOM 274 N GLY A 35 -5.499 -5.639 -0.803 1.00 0.00 N ATOM 275 CA GLY A 35 -4.793 -5.562 -2.065 1.00 0.00 C ATOM 276 C GLY A 35 -3.413 -4.971 -1.909 1.00 0.00 C ATOM 277 O GLY A 35 -2.999 -4.641 -0.794 1.00 0.00 O ATOM 0 H GLY A 35 -5.075 -5.115 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.713 -6.560 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.369 -4.957 -2.766 1.00 0.00 H new ATOM 281 N THR A 36 -2.694 -4.851 -3.014 1.00 0.00 N ATOM 282 CA THR A 36 -1.349 -4.316 -2.982 1.00 0.00 C ATOM 283 C THR A 36 -0.972 -3.703 -4.336 1.00 0.00 C ATOM 284 O THR A 36 -1.455 -4.145 -5.384 1.00 0.00 O ATOM 285 CB THR A 36 -0.341 -5.413 -2.579 1.00 0.00 C ATOM 286 OG1 THR A 36 0.927 -4.830 -2.292 1.00 0.00 O ATOM 287 CG2 THR A 36 -0.186 -6.453 -3.675 1.00 0.00 C ATOM 0 H THR A 36 -3.022 -5.118 -3.942 1.00 0.00 H new ATOM 0 HA THR A 36 -1.314 -3.525 -2.233 1.00 0.00 H new ATOM 0 HB THR A 36 -0.727 -5.909 -1.689 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.224 -4.299 -3.060 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.531 -7.211 -3.359 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.150 -6.924 -3.869 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.172 -5.972 -4.585 1.00 0.00 H new ATOM 295 N ILE A 37 -0.128 -2.669 -4.307 1.00 0.00 N ATOM 296 CA ILE A 37 0.329 -2.016 -5.527 1.00 0.00 C ATOM 297 C ILE A 37 1.858 -1.931 -5.537 1.00 0.00 C ATOM 298 O ILE A 37 2.468 -1.422 -4.591 1.00 0.00 O ATOM 299 CB ILE A 37 -0.274 -0.590 -5.691 1.00 0.00 C ATOM 300 CG1 ILE A 37 -1.801 -0.639 -5.839 1.00 0.00 C ATOM 301 CG2 ILE A 37 0.336 0.133 -6.888 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.552 -0.716 -4.524 1.00 0.00 C ATOM 0 H ILE A 37 0.251 -2.269 -3.449 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.015 -2.621 -6.366 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.031 -0.036 -4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.131 0.247 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.068 -1.503 -6.448 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.105 1.126 -6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.413 0.225 -6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.136 -0.435 -7.797 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.624 -0.747 -4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.254 -1.617 -3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.318 0.160 -3.920 1.00 0.00 H new ATOM 314 N ARG A 38 2.471 -2.443 -6.601 1.00 0.00 N ATOM 315 CA ARG A 38 3.928 -2.467 -6.728 1.00 0.00 C ATOM 316 C ARG A 38 4.469 -1.081 -7.083 1.00 0.00 C ATOM 317 O ARG A 38 4.437 -0.674 -8.244 1.00 0.00 O ATOM 318 CB ARG A 38 4.344 -3.470 -7.812 1.00 0.00 C ATOM 319 CG ARG A 38 5.836 -3.706 -7.887 1.00 0.00 C ATOM 320 CD ARG A 38 6.272 -4.810 -6.936 1.00 0.00 C ATOM 321 NE ARG A 38 6.787 -5.977 -7.656 1.00 0.00 N ATOM 322 CZ ARG A 38 6.194 -7.170 -7.684 1.00 0.00 C ATOM 323 NH1 ARG A 38 5.002 -7.344 -7.142 1.00 0.00 N ATOM 324 NH2 ARG A 38 6.783 -8.184 -8.300 1.00 0.00 N ATOM 0 H ARG A 38 1.977 -2.851 -7.395 1.00 0.00 H new ATOM 0 HA ARG A 38 4.346 -2.770 -5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.844 -4.421 -7.625 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.994 -3.111 -8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.113 -3.972 -8.907 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.364 -2.784 -7.643 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.041 -4.429 -6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.427 -5.110 -6.315 1.00 0.00 H new ATOM 0 HE ARG A 38 7.660 -5.869 -8.172 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.525 -6.560 -6.696 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.558 -8.262 -7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.688 -8.050 -8.751 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.332 -9.098 -8.323 1.00 0.00 H new ATOM 338 N LYS A 39 4.965 -0.362 -6.084 1.00 0.00 N ATOM 339 CA LYS A 39 5.505 0.975 -6.305 1.00 0.00 C ATOM 340 C LYS A 39 6.829 1.156 -5.571 1.00 0.00 C ATOM 341 O LYS A 39 7.090 0.494 -4.563 1.00 0.00 O ATOM 342 CB LYS A 39 4.496 2.046 -5.870 1.00 0.00 C ATOM 343 CG LYS A 39 3.284 2.132 -6.784 1.00 0.00 C ATOM 344 CD LYS A 39 3.685 2.486 -8.207 1.00 0.00 C ATOM 345 CE LYS A 39 2.552 2.234 -9.188 1.00 0.00 C ATOM 346 NZ LYS A 39 2.912 2.668 -10.564 1.00 0.00 N ATOM 0 H LYS A 39 5.005 -0.680 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 39 5.691 1.091 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.163 1.831 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.993 3.016 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.755 1.179 -6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.591 2.882 -6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.979 3.535 -8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.556 1.898 -8.497 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.304 1.172 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.660 2.767 -8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.116 2.481 -11.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.124 3.686 -10.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.748 2.141 -10.887 1.00 0.00 H new ATOM 360 N LYS A 40 7.663 2.042 -6.097 1.00 0.00 N ATOM 361 CA LYS A 40 8.982 2.300 -5.529 1.00 0.00 C ATOM 362 C LYS A 40 8.859 3.065 -4.218 1.00 0.00 C ATOM 363 O LYS A 40 7.880 3.784 -3.996 1.00 0.00 O ATOM 364 CB LYS A 40 9.833 3.097 -6.524 1.00 0.00 C ATOM 365 CG LYS A 40 9.938 2.442 -7.892 1.00 0.00 C ATOM 366 CD LYS A 40 10.742 3.288 -8.867 1.00 0.00 C ATOM 367 CE LYS A 40 12.172 3.491 -8.390 1.00 0.00 C ATOM 368 NZ LYS A 40 12.986 4.238 -9.384 1.00 0.00 N ATOM 0 H LYS A 40 7.448 2.600 -6.924 1.00 0.00 H new ATOM 0 HA LYS A 40 9.467 1.345 -5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.406 4.093 -6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.834 3.225 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.406 1.463 -7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.938 2.278 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.750 2.807 -9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.259 4.257 -8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.166 4.033 -7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.632 2.522 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.954 4.356 -9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.013 3.709 -10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.561 5.173 -9.548 1.00 0.00 H new ATOM 382 N ALA A 41 9.844 2.892 -3.344 1.00 0.00 N ATOM 383 CA ALA A 41 9.855 3.579 -2.062 1.00 0.00 C ATOM 384 C ALA A 41 9.982 5.083 -2.256 1.00 0.00 C ATOM 385 O ALA A 41 10.687 5.546 -3.153 1.00 0.00 O ATOM 386 CB ALA A 41 10.986 3.059 -1.192 1.00 0.00 C ATOM 0 H ALA A 41 10.645 2.281 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 41 8.909 3.379 -1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.980 3.583 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.852 1.991 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.939 3.229 -1.694 1.00 0.00 H new ATOM 392 N GLY A 42 9.286 5.838 -1.422 1.00 0.00 N ATOM 393 CA GLY A 42 9.304 7.286 -1.532 1.00 0.00 C ATOM 394 C GLY A 42 8.202 7.814 -2.424 1.00 0.00 C ATOM 395 O GLY A 42 7.767 8.955 -2.278 1.00 0.00 O ATOM 0 H GLY A 42 8.705 5.475 -0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.204 7.724 -0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.269 7.605 -1.925 1.00 0.00 H new ATOM 399 N TRP A 43 7.754 6.986 -3.351 1.00 0.00 N ATOM 400 CA TRP A 43 6.710 7.375 -4.282 1.00 0.00 C ATOM 401 C TRP A 43 5.334 7.128 -3.678 1.00 0.00 C ATOM 402 O TRP A 43 5.079 6.070 -3.094 1.00 0.00 O ATOM 403 CB TRP A 43 6.862 6.611 -5.598 1.00 0.00 C ATOM 404 CG TRP A 43 8.122 6.951 -6.332 1.00 0.00 C ATOM 405 CD1 TRP A 43 9.354 6.394 -6.148 1.00 0.00 C ATOM 406 CD2 TRP A 43 8.277 7.936 -7.359 1.00 0.00 C ATOM 407 NE1 TRP A 43 10.265 6.968 -6.999 1.00 0.00 N ATOM 408 CE2 TRP A 43 9.628 7.920 -7.751 1.00 0.00 C ATOM 409 CE3 TRP A 43 7.404 8.831 -7.982 1.00 0.00 C ATOM 410 CZ2 TRP A 43 10.125 8.762 -8.740 1.00 0.00 C ATOM 411 CZ3 TRP A 43 7.898 9.666 -8.966 1.00 0.00 C ATOM 412 CH2 TRP A 43 9.248 9.627 -9.334 1.00 0.00 C ATOM 0 H TRP A 43 8.099 6.035 -3.479 1.00 0.00 H new ATOM 0 HA TRP A 43 6.808 8.441 -4.485 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.845 5.540 -5.394 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.006 6.827 -6.238 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.580 5.614 -5.436 1.00 0.00 H new ATOM 0 HE1 TRP A 43 11.254 6.726 -7.061 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.362 8.870 -7.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.165 8.734 -9.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.232 10.359 -9.459 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.605 10.295 -10.104 1.00 0.00 H new ATOM 423 N ALA A 44 4.462 8.119 -3.807 1.00 0.00 N ATOM 424 CA ALA A 44 3.115 8.035 -3.275 1.00 0.00 C ATOM 425 C ALA A 44 2.276 7.049 -4.079 1.00 0.00 C ATOM 426 O ALA A 44 2.305 7.054 -5.309 1.00 0.00 O ATOM 427 CB ALA A 44 2.462 9.406 -3.288 1.00 0.00 C ATOM 0 H ALA A 44 4.670 8.998 -4.281 1.00 0.00 H new ATOM 0 HA ALA A 44 3.174 7.678 -2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.451 9.331 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.046 10.093 -2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.419 9.779 -4.311 1.00 0.00 H new ATOM 433 N VAL A 45 1.527 6.213 -3.384 1.00 0.00 N ATOM 434 CA VAL A 45 0.677 5.232 -4.030 1.00 0.00 C ATOM 435 C VAL A 45 -0.774 5.424 -3.591 1.00 0.00 C ATOM 436 O VAL A 45 -1.043 5.871 -2.470 1.00 0.00 O ATOM 437 CB VAL A 45 1.147 3.795 -3.710 1.00 0.00 C ATOM 438 CG1 VAL A 45 0.955 3.469 -2.239 1.00 0.00 C ATOM 439 CG2 VAL A 45 0.433 2.779 -4.583 1.00 0.00 C ATOM 0 H VAL A 45 1.491 6.195 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 45 0.745 5.378 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 45 2.213 3.741 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.295 2.452 -2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.533 4.167 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.101 3.554 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.783 1.777 -4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.641 2.841 -4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.643 2.989 -5.632 1.00 0.00 H new ATOM 449 N ARG A 46 -1.702 5.104 -4.483 1.00 0.00 N ATOM 450 CA ARG A 46 -3.117 5.270 -4.200 1.00 0.00 C ATOM 451 C ARG A 46 -3.695 4.003 -3.582 1.00 0.00 C ATOM 452 O ARG A 46 -3.245 2.894 -3.876 1.00 0.00 O ATOM 453 CB ARG A 46 -3.897 5.631 -5.479 1.00 0.00 C ATOM 454 CG ARG A 46 -4.369 4.433 -6.312 1.00 0.00 C ATOM 455 CD ARG A 46 -3.219 3.601 -6.875 1.00 0.00 C ATOM 456 NE ARG A 46 -2.531 4.261 -7.982 1.00 0.00 N ATOM 457 CZ ARG A 46 -2.111 3.622 -9.074 1.00 0.00 C ATOM 458 NH1 ARG A 46 -2.344 2.322 -9.219 1.00 0.00 N ATOM 459 NH2 ARG A 46 -1.472 4.281 -10.029 1.00 0.00 N ATOM 0 H ARG A 46 -1.498 4.728 -5.409 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.219 6.089 -3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.767 6.225 -5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.267 6.263 -6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.001 3.796 -5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.986 4.792 -7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.503 3.394 -6.080 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.604 2.640 -7.214 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.363 5.265 -7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.846 1.810 -8.494 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.021 1.836 -10.056 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.299 5.281 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.152 3.788 -10.863 1.00 0.00 H new ATOM 473 N PHE A 47 -4.677 4.177 -2.716 1.00 0.00 N ATOM 474 CA PHE A 47 -5.428 3.056 -2.173 1.00 0.00 C ATOM 475 C PHE A 47 -6.911 3.395 -2.170 1.00 0.00 C ATOM 476 O PHE A 47 -7.293 4.506 -1.819 1.00 0.00 O ATOM 477 CB PHE A 47 -4.966 2.721 -0.755 1.00 0.00 C ATOM 478 CG PHE A 47 -3.577 2.155 -0.679 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.286 0.926 -1.246 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.571 2.839 -0.019 1.00 0.00 C ATOM 481 CE1 PHE A 47 -2.017 0.389 -1.157 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.300 2.308 0.070 1.00 0.00 C ATOM 483 CZ PHE A 47 -1.022 1.081 -0.501 1.00 0.00 C ATOM 0 H PHE A 47 -4.976 5.089 -2.371 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.252 2.182 -2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.012 3.624 -0.147 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.662 2.006 -0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.061 0.381 -1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.783 3.798 0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.804 -0.572 -1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.523 2.852 0.586 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.028 0.665 -0.433 1.00 0.00 H new ATOM 493 N TYR A 48 -7.745 2.446 -2.561 1.00 0.00 N ATOM 494 CA TYR A 48 -9.177 2.684 -2.649 1.00 0.00 C ATOM 495 C TYR A 48 -9.951 1.427 -2.280 1.00 0.00 C ATOM 496 O TYR A 48 -9.434 0.319 -2.398 1.00 0.00 O ATOM 497 CB TYR A 48 -9.555 3.166 -4.059 1.00 0.00 C ATOM 498 CG TYR A 48 -9.103 2.250 -5.179 1.00 0.00 C ATOM 499 CD1 TYR A 48 -7.829 2.361 -5.723 1.00 0.00 C ATOM 500 CD2 TYR A 48 -9.955 1.283 -5.697 1.00 0.00 C ATOM 501 CE1 TYR A 48 -7.416 1.534 -6.748 1.00 0.00 C ATOM 502 CE2 TYR A 48 -9.548 0.449 -6.722 1.00 0.00 C ATOM 503 CZ TYR A 48 -8.279 0.579 -7.243 1.00 0.00 C ATOM 504 OH TYR A 48 -7.876 -0.246 -8.267 1.00 0.00 O ATOM 0 H TYR A 48 -7.456 1.504 -2.823 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.443 3.466 -1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.638 3.278 -4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.124 4.154 -4.219 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.150 3.107 -5.337 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.951 1.181 -5.293 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.423 1.634 -7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.221 -0.300 -7.112 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.603 -0.862 -8.496 1.00 0.00 H new ATOM 514 N GLU A 49 -11.176 1.611 -1.811 1.00 0.00 N ATOM 515 CA GLU A 49 -12.014 0.495 -1.402 1.00 0.00 C ATOM 516 C GLU A 49 -12.941 0.078 -2.536 1.00 0.00 C ATOM 517 O GLU A 49 -13.532 0.920 -3.218 1.00 0.00 O ATOM 518 CB GLU A 49 -12.824 0.852 -0.144 1.00 0.00 C ATOM 519 CG GLU A 49 -13.751 2.045 -0.317 1.00 0.00 C ATOM 520 CD GLU A 49 -14.308 2.555 1.002 1.00 0.00 C ATOM 521 OE1 GLU A 49 -14.851 1.746 1.779 1.00 0.00 O ATOM 522 OE2 GLU A 49 -14.214 3.775 1.258 1.00 0.00 O ATOM 0 H GLU A 49 -11.613 2.527 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.365 -0.347 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.416 -0.014 0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.133 1.059 0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.210 2.851 -0.813 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.577 1.766 -0.971 1.00 0.00 H new ATOM 529 N GLU A 50 -13.035 -1.226 -2.742 1.00 0.00 N ATOM 530 CA GLU A 50 -13.904 -1.796 -3.758 1.00 0.00 C ATOM 531 C GLU A 50 -15.241 -2.187 -3.153 1.00 0.00 C ATOM 532 O GLU A 50 -15.338 -3.166 -2.411 1.00 0.00 O ATOM 533 CB GLU A 50 -13.245 -3.018 -4.397 1.00 0.00 C ATOM 534 CG GLU A 50 -12.704 -2.756 -5.789 1.00 0.00 C ATOM 535 CD GLU A 50 -13.809 -2.581 -6.810 1.00 0.00 C ATOM 536 OE1 GLU A 50 -14.336 -1.460 -6.939 1.00 0.00 O ATOM 537 OE2 GLU A 50 -14.154 -3.571 -7.491 1.00 0.00 O ATOM 0 H GLU A 50 -12.510 -1.919 -2.209 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.073 -1.043 -4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.430 -3.357 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.972 -3.829 -4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.082 -1.861 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.062 -3.584 -6.089 1.00 0.00 H new ATOM 544 N LYS A 51 -16.261 -1.408 -3.454 1.00 0.00 N ATOM 545 CA LYS A 51 -17.599 -1.693 -2.985 1.00 0.00 C ATOM 546 C LYS A 51 -18.442 -2.200 -4.146 1.00 0.00 C ATOM 547 O LYS A 51 -18.551 -1.533 -5.173 1.00 0.00 O ATOM 548 CB LYS A 51 -18.218 -0.433 -2.385 1.00 0.00 C ATOM 549 CG LYS A 51 -17.483 0.099 -1.166 1.00 0.00 C ATOM 550 CD LYS A 51 -17.558 -0.868 0.000 1.00 0.00 C ATOM 551 CE LYS A 51 -16.872 -0.289 1.219 1.00 0.00 C ATOM 552 NZ LYS A 51 -16.962 -1.180 2.404 1.00 0.00 N ATOM 0 H LYS A 51 -16.185 -0.567 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.561 -2.460 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.244 0.345 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.251 -0.644 -2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.439 0.281 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.911 1.057 -0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.601 -1.086 0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -17.088 -1.813 -0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.823 -0.104 0.987 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.320 0.675 1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.878 -0.613 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.878 -1.672 2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.193 -1.879 2.372 1.00 0.00 H new ATOM 566 N PRO A 52 -19.028 -3.399 -4.005 1.00 0.00 N ATOM 567 CA PRO A 52 -19.825 -4.025 -5.066 1.00 0.00 C ATOM 568 C PRO A 52 -20.976 -3.136 -5.528 1.00 0.00 C ATOM 569 O PRO A 52 -21.863 -2.789 -4.743 1.00 0.00 O ATOM 570 CB PRO A 52 -20.360 -5.311 -4.420 1.00 0.00 C ATOM 571 CG PRO A 52 -20.158 -5.129 -2.954 1.00 0.00 C ATOM 572 CD PRO A 52 -18.955 -4.245 -2.808 1.00 0.00 C ATOM 0 HA PRO A 52 -19.230 -4.208 -5.961 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.414 -5.461 -4.656 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.824 -6.187 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.035 -4.674 -2.493 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -20.000 -6.088 -2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -18.995 -3.655 -1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -18.031 -4.822 -2.776 1.00 0.00 H new ATOM 580 N GLY A 53 -20.931 -2.745 -6.798 1.00 0.00 N ATOM 581 CA GLY A 53 -21.979 -1.917 -7.376 1.00 0.00 C ATOM 582 C GLY A 53 -21.764 -0.441 -7.110 1.00 0.00 C ATOM 583 O GLY A 53 -22.480 0.410 -7.639 1.00 0.00 O ATOM 0 H GLY A 53 -20.180 -2.989 -7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.020 -2.087 -8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.943 -2.220 -6.968 1.00 0.00 H new ATOM 587 N GLN A 54 -20.766 -0.145 -6.299 1.00 0.00 N ATOM 588 CA GLN A 54 -20.489 1.212 -5.859 1.00 0.00 C ATOM 589 C GLN A 54 -19.159 1.703 -6.428 1.00 0.00 C ATOM 590 O GLN A 54 -18.320 0.897 -6.828 1.00 0.00 O ATOM 591 CB GLN A 54 -20.459 1.227 -4.332 1.00 0.00 C ATOM 592 CG GLN A 54 -21.772 0.779 -3.713 1.00 0.00 C ATOM 593 CD GLN A 54 -21.605 0.185 -2.329 1.00 0.00 C ATOM 594 OE1 GLN A 54 -21.611 0.895 -1.325 1.00 0.00 O ATOM 595 NE2 GLN A 54 -21.473 -1.131 -2.267 1.00 0.00 N ATOM 0 H GLN A 54 -20.121 -0.841 -5.925 1.00 0.00 H new ATOM 0 HA GLN A 54 -21.268 1.883 -6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.657 0.577 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -20.225 2.234 -3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -22.450 1.631 -3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -22.241 0.041 -4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.473 -1.684 -3.124 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.371 -1.591 -1.362 1.00 0.00 H new ATOM 604 N PRO A 55 -18.959 3.030 -6.495 1.00 0.00 N ATOM 605 CA PRO A 55 -17.705 3.615 -6.981 1.00 0.00 C ATOM 606 C PRO A 55 -16.558 3.406 -5.995 1.00 0.00 C ATOM 607 O PRO A 55 -16.780 3.227 -4.797 1.00 0.00 O ATOM 608 CB PRO A 55 -18.035 5.099 -7.122 1.00 0.00 C ATOM 609 CG PRO A 55 -19.132 5.340 -6.147 1.00 0.00 C ATOM 610 CD PRO A 55 -19.935 4.069 -6.104 1.00 0.00 C ATOM 0 HA PRO A 55 -17.369 3.157 -7.911 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -17.167 5.720 -6.901 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -18.349 5.339 -8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -18.733 5.583 -5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -19.751 6.182 -6.456 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -20.341 3.884 -5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -20.780 4.105 -6.792 1.00 0.00 H new ATOM 618 N LYS A 56 -15.336 3.425 -6.503 1.00 0.00 N ATOM 619 CA LYS A 56 -14.163 3.188 -5.673 1.00 0.00 C ATOM 620 C LYS A 56 -13.782 4.457 -4.922 1.00 0.00 C ATOM 621 O LYS A 56 -13.655 5.529 -5.517 1.00 0.00 O ATOM 622 CB LYS A 56 -12.973 2.705 -6.510 1.00 0.00 C ATOM 623 CG LYS A 56 -13.274 1.501 -7.387 1.00 0.00 C ATOM 624 CD LYS A 56 -13.828 1.910 -8.742 1.00 0.00 C ATOM 625 CE LYS A 56 -13.962 0.719 -9.675 1.00 0.00 C ATOM 626 NZ LYS A 56 -14.928 -0.290 -9.168 1.00 0.00 N ATOM 0 H LYS A 56 -15.129 3.602 -7.486 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.417 2.406 -4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.632 3.525 -7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.150 2.456 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.364 0.918 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.991 0.854 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.802 2.381 -8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.173 2.655 -9.194 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.283 1.065 -10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.986 0.251 -9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.205 -0.926 -9.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.485 -0.844 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.772 0.192 -8.798 1.00 0.00 H new ATOM 640 N ARG A 57 -13.589 4.332 -3.621 1.00 0.00 N ATOM 641 CA ARG A 57 -13.279 5.479 -2.785 1.00 0.00 C ATOM 642 C ARG A 57 -11.823 5.431 -2.338 1.00 0.00 C ATOM 643 O ARG A 57 -11.380 4.436 -1.771 1.00 0.00 O ATOM 644 CB ARG A 57 -14.201 5.504 -1.567 1.00 0.00 C ATOM 645 CG ARG A 57 -13.983 6.691 -0.639 1.00 0.00 C ATOM 646 CD ARG A 57 -14.631 7.965 -1.161 1.00 0.00 C ATOM 647 NE ARG A 57 -13.936 8.542 -2.313 1.00 0.00 N ATOM 648 CZ ARG A 57 -13.992 9.834 -2.640 1.00 0.00 C ATOM 649 NH1 ARG A 57 -14.741 10.675 -1.935 1.00 0.00 N ATOM 650 NH2 ARG A 57 -13.313 10.281 -3.688 1.00 0.00 N ATOM 0 H ARG A 57 -13.642 3.446 -3.119 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.436 6.387 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.236 5.511 -1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.059 4.584 -1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.389 6.458 0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.913 6.857 -0.512 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.663 7.751 -1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.663 8.702 -0.359 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.377 7.921 -2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.278 10.334 -1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.779 11.662 -2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.749 9.637 -4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.355 11.269 -3.939 1.00 0.00 H new ATOM 664 N LEU A 58 -11.084 6.494 -2.629 1.00 0.00 N ATOM 665 CA LEU A 58 -9.695 6.622 -2.198 1.00 0.00 C ATOM 666 C LEU A 58 -9.615 6.601 -0.669 1.00 0.00 C ATOM 667 O LEU A 58 -9.984 7.571 -0.004 1.00 0.00 O ATOM 668 CB LEU A 58 -9.108 7.926 -2.752 1.00 0.00 C ATOM 669 CG LEU A 58 -7.718 7.821 -3.390 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.356 9.125 -4.085 1.00 0.00 C ATOM 671 CD2 LEU A 58 -6.669 7.477 -2.350 1.00 0.00 C ATOM 0 H LEU A 58 -11.427 7.289 -3.168 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.116 5.782 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.798 8.324 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.059 8.653 -1.941 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.744 7.020 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.367 9.036 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.089 9.338 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.353 9.936 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.692 7.408 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.646 8.254 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.915 6.521 -1.888 1.00 0.00 H new ATOM 683 N VAL A 59 -9.135 5.489 -0.124 1.00 0.00 N ATOM 684 CA VAL A 59 -9.143 5.271 1.318 1.00 0.00 C ATOM 685 C VAL A 59 -7.831 5.690 1.963 1.00 0.00 C ATOM 686 O VAL A 59 -7.765 5.851 3.180 1.00 0.00 O ATOM 687 CB VAL A 59 -9.414 3.793 1.674 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.744 3.348 1.111 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.297 2.886 1.180 1.00 0.00 C ATOM 0 H VAL A 59 -8.734 4.721 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.950 5.891 1.707 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.449 3.715 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.918 2.304 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.540 3.964 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.734 3.454 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.521 1.854 1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.213 2.969 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.355 3.184 1.641 1.00 0.00 H new ATOM 699 N ALA A 60 -6.785 5.844 1.159 1.00 0.00 N ATOM 700 CA ALA A 60 -5.490 6.230 1.686 1.00 0.00 C ATOM 701 C ALA A 60 -4.520 6.622 0.592 1.00 0.00 C ATOM 702 O ALA A 60 -4.445 5.983 -0.457 1.00 0.00 O ATOM 703 CB ALA A 60 -4.894 5.101 2.503 1.00 0.00 C ATOM 0 H ALA A 60 -6.811 5.708 0.148 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.654 7.101 2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.922 5.406 2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.558 4.863 3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.772 4.220 1.872 1.00 0.00 H new ATOM 709 N ILE A 61 -3.787 7.680 0.849 1.00 0.00 N ATOM 710 CA ILE A 61 -2.652 8.033 0.027 1.00 0.00 C ATOM 711 C ILE A 61 -1.403 7.756 0.841 1.00 0.00 C ATOM 712 O ILE A 61 -1.151 8.414 1.850 1.00 0.00 O ATOM 713 CB ILE A 61 -2.661 9.509 -0.426 1.00 0.00 C ATOM 714 CG1 ILE A 61 -3.948 9.844 -1.188 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.447 9.788 -1.297 1.00 0.00 C ATOM 716 CD1 ILE A 61 -5.108 10.217 -0.293 1.00 0.00 C ATOM 0 H ILE A 61 -3.958 8.316 1.628 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.689 7.438 -0.886 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.621 10.141 0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.750 10.669 -1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.232 8.986 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.458 10.831 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.538 9.591 -0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.473 9.142 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.982 10.440 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.335 9.385 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.844 11.095 0.297 1.00 0.00 H new ATOM 728 N CYS A 62 -0.640 6.771 0.429 1.00 0.00 N ATOM 729 CA CYS A 62 0.422 6.265 1.273 1.00 0.00 C ATOM 730 C CYS A 62 1.729 6.162 0.508 1.00 0.00 C ATOM 731 O CYS A 62 1.734 6.055 -0.713 1.00 0.00 O ATOM 732 CB CYS A 62 0.021 4.896 1.824 1.00 0.00 C ATOM 733 SG CYS A 62 0.969 4.374 3.284 1.00 0.00 S ATOM 0 H CYS A 62 -0.731 6.307 -0.475 1.00 0.00 H new ATOM 0 HA CYS A 62 0.575 6.961 2.098 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.038 4.916 2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.145 4.150 1.039 1.00 0.00 H new ATOM 738 N LYS A 63 2.835 6.214 1.231 1.00 0.00 N ATOM 739 CA LYS A 63 4.146 6.061 0.635 1.00 0.00 C ATOM 740 C LYS A 63 5.138 5.616 1.697 1.00 0.00 C ATOM 741 O LYS A 63 4.900 5.788 2.894 1.00 0.00 O ATOM 742 CB LYS A 63 4.600 7.377 -0.002 1.00 0.00 C ATOM 743 CG LYS A 63 4.839 8.491 1.001 1.00 0.00 C ATOM 744 CD LYS A 63 5.317 9.759 0.315 1.00 0.00 C ATOM 745 CE LYS A 63 4.182 10.473 -0.396 1.00 0.00 C ATOM 746 NZ LYS A 63 4.603 11.796 -0.923 1.00 0.00 N ATOM 0 H LYS A 63 2.847 6.362 2.240 1.00 0.00 H new ATOM 0 HA LYS A 63 4.096 5.303 -0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.519 7.201 -0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.847 7.702 -0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.918 8.695 1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.579 8.170 1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.762 10.427 1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.099 9.512 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.821 9.853 -1.217 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.348 10.606 0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.799 12.251 -1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.923 12.397 -0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.382 11.668 -1.600 1.00 0.00 H new ATOM 760 N ASN A 64 6.232 5.023 1.263 1.00 0.00 N ATOM 761 CA ASN A 64 7.274 4.601 2.181 1.00 0.00 C ATOM 762 C ASN A 64 8.094 5.812 2.591 1.00 0.00 C ATOM 763 O ASN A 64 8.516 6.594 1.741 1.00 0.00 O ATOM 764 CB ASN A 64 8.162 3.538 1.530 1.00 0.00 C ATOM 765 CG ASN A 64 9.244 3.031 2.462 1.00 0.00 C ATOM 766 OD1 ASN A 64 9.031 2.101 3.233 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.420 3.625 2.384 1.00 0.00 N ATOM 0 H ASN A 64 6.424 4.822 0.282 1.00 0.00 H new ATOM 0 HA ASN A 64 6.821 4.158 3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.543 2.700 1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.624 3.955 0.635 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.189 3.313 2.977 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.560 4.396 1.731 1.00 0.00 H new ATOM 774 N ALA A 65 8.299 5.952 3.900 1.00 0.00 N ATOM 775 CA ALA A 65 8.921 7.140 4.486 1.00 0.00 C ATOM 776 C ALA A 65 10.285 7.455 3.884 1.00 0.00 C ATOM 777 O ALA A 65 10.707 8.610 3.862 1.00 0.00 O ATOM 778 CB ALA A 65 9.044 6.968 5.981 1.00 0.00 C ATOM 0 H ALA A 65 8.038 5.244 4.586 1.00 0.00 H new ATOM 0 HA ALA A 65 8.272 7.986 4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.508 7.855 6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.053 6.829 6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.660 6.095 6.197 1.00 0.00 H new ATOM 784 N SER A 66 10.973 6.432 3.413 1.00 0.00 N ATOM 785 CA SER A 66 12.258 6.616 2.771 1.00 0.00 C ATOM 786 C SER A 66 12.103 6.462 1.260 1.00 0.00 C ATOM 787 O SER A 66 11.475 5.516 0.787 1.00 0.00 O ATOM 788 CB SER A 66 13.269 5.601 3.317 1.00 0.00 C ATOM 789 OG SER A 66 14.564 5.797 2.767 1.00 0.00 O ATOM 0 H SER A 66 10.661 5.462 3.464 1.00 0.00 H new ATOM 0 HA SER A 66 12.629 7.618 2.985 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.319 5.686 4.403 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.928 4.591 3.091 1.00 0.00 H new ATOM 0 HG SER A 66 15.181 5.133 3.139 1.00 0.00 H new ATOM 795 N PRO A 67 12.651 7.403 0.484 1.00 0.00 N ATOM 796 CA PRO A 67 12.609 7.344 -0.978 1.00 0.00 C ATOM 797 C PRO A 67 13.668 6.409 -1.553 1.00 0.00 C ATOM 798 O PRO A 67 13.810 6.281 -2.772 1.00 0.00 O ATOM 799 CB PRO A 67 12.893 8.785 -1.385 1.00 0.00 C ATOM 800 CG PRO A 67 13.755 9.324 -0.293 1.00 0.00 C ATOM 801 CD PRO A 67 13.340 8.613 0.969 1.00 0.00 C ATOM 0 HA PRO A 67 11.660 6.955 -1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.400 8.832 -2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.971 9.358 -1.481 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.809 9.149 -0.508 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.625 10.402 -0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.201 8.361 1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.680 9.232 1.578 1.00 0.00 H new ATOM 809 N VAL A 68 14.417 5.762 -0.668 1.00 0.00 N ATOM 810 CA VAL A 68 15.480 4.862 -1.083 1.00 0.00 C ATOM 811 C VAL A 68 15.241 3.458 -0.536 1.00 0.00 C ATOM 812 O VAL A 68 14.989 2.523 -1.292 1.00 0.00 O ATOM 813 CB VAL A 68 16.863 5.358 -0.614 1.00 0.00 C ATOM 814 CG1 VAL A 68 17.958 4.557 -1.289 1.00 0.00 C ATOM 815 CG2 VAL A 68 17.031 6.845 -0.896 1.00 0.00 C ATOM 0 H VAL A 68 14.306 5.846 0.342 1.00 0.00 H new ATOM 0 HA VAL A 68 15.470 4.838 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 68 16.937 5.212 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.931 4.914 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.849 3.503 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.882 4.676 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.014 7.171 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.939 7.025 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.260 7.405 -0.367 1.00 0.00 H new ATOM 825 N HIS A 69 15.305 3.328 0.782 1.00 0.00 N ATOM 826 CA HIS A 69 15.144 2.036 1.443 1.00 0.00 C ATOM 827 C HIS A 69 13.721 1.882 1.942 1.00 0.00 C ATOM 828 O HIS A 69 13.002 2.856 2.125 1.00 0.00 O ATOM 829 CB HIS A 69 16.133 1.926 2.604 1.00 0.00 C ATOM 830 CG HIS A 69 16.158 0.620 3.346 1.00 0.00 C ATOM 831 ND1 HIS A 69 16.887 -0.471 2.931 1.00 0.00 N ATOM 832 CD2 HIS A 69 15.585 0.260 4.518 1.00 0.00 C ATOM 833 CE1 HIS A 69 16.761 -1.444 3.813 1.00 0.00 C ATOM 834 NE2 HIS A 69 15.976 -1.027 4.787 1.00 0.00 N ATOM 0 H HIS A 69 15.468 4.107 1.420 1.00 0.00 H new ATOM 0 HA HIS A 69 15.348 1.238 0.729 1.00 0.00 H new ATOM 0 HB2 HIS A 69 17.134 2.117 2.218 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.910 2.719 3.318 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.939 0.873 5.129 1.00 0.00 H new ATOM 0 HE1 HIS A 69 17.223 -2.418 3.748 1.00 0.00 H new ATOM 0 HE2 HIS A 69 15.704 -1.572 5.606 1.00 0.00 H new ATOM 843 N CYS A 70 13.341 0.655 2.183 1.00 0.00 N ATOM 844 CA CYS A 70 11.973 0.345 2.586 1.00 0.00 C ATOM 845 C CYS A 70 11.883 0.118 4.091 1.00 0.00 C ATOM 846 O CYS A 70 12.647 -0.665 4.656 1.00 0.00 O ATOM 847 CB CYS A 70 11.456 -0.882 1.830 1.00 0.00 C ATOM 848 SG CYS A 70 12.465 -2.368 2.047 1.00 0.00 S ATOM 0 H CYS A 70 13.954 -0.157 2.110 1.00 0.00 H new ATOM 0 HA CYS A 70 11.346 1.200 2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.439 -1.096 2.160 1.00 0.00 H new ATOM 0 HB3 CYS A 70 11.403 -0.644 0.768 1.00 0.00 H new ATOM 0 HG CYS A 70 13.011 -2.353 3.227 1.00 0.00 H new ATOM 854 N ASN A 71 10.949 0.812 4.733 1.00 0.00 N ATOM 855 CA ASN A 71 10.758 0.700 6.176 1.00 0.00 C ATOM 856 C ASN A 71 9.292 0.433 6.489 1.00 0.00 C ATOM 857 O ASN A 71 8.869 -0.714 6.612 1.00 0.00 O ATOM 858 CB ASN A 71 11.206 1.981 6.896 1.00 0.00 C ATOM 859 CG ASN A 71 12.685 2.280 6.738 1.00 0.00 C ATOM 860 OD1 ASN A 71 13.513 1.374 6.650 1.00 0.00 O ATOM 861 ND2 ASN A 71 13.026 3.557 6.705 1.00 0.00 N ATOM 0 H ASN A 71 10.309 1.461 4.275 1.00 0.00 H new ATOM 0 HA ASN A 71 11.368 -0.130 6.531 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.630 2.824 6.513 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.973 1.892 7.957 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.006 3.821 6.603 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.309 4.278 6.781 1.00 0.00 H new ATOM 868 N TYR A 72 8.519 1.509 6.604 1.00 0.00 N ATOM 869 CA TYR A 72 7.092 1.418 6.874 1.00 0.00 C ATOM 870 C TYR A 72 6.333 2.317 5.909 1.00 0.00 C ATOM 871 O TYR A 72 6.931 3.143 5.215 1.00 0.00 O ATOM 872 CB TYR A 72 6.784 1.850 8.311 1.00 0.00 C ATOM 873 CG TYR A 72 7.652 1.185 9.358 1.00 0.00 C ATOM 874 CD1 TYR A 72 7.647 -0.193 9.510 1.00 0.00 C ATOM 875 CD2 TYR A 72 8.468 1.936 10.195 1.00 0.00 C ATOM 876 CE1 TYR A 72 8.434 -0.809 10.465 1.00 0.00 C ATOM 877 CE2 TYR A 72 9.257 1.331 11.152 1.00 0.00 C ATOM 878 CZ TYR A 72 9.238 -0.041 11.282 1.00 0.00 C ATOM 879 OH TYR A 72 10.027 -0.649 12.232 1.00 0.00 O ATOM 0 H TYR A 72 8.865 2.464 6.513 1.00 0.00 H new ATOM 0 HA TYR A 72 6.781 0.382 6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.905 2.931 8.388 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.739 1.630 8.529 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.018 -0.795 8.872 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.485 3.011 10.095 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.420 -1.884 10.571 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.886 1.929 11.795 1.00 0.00 H new ATOM 0 HH TYR A 72 10.533 0.033 12.722 1.00 0.00 H new ATOM 889 N LEU A 73 5.016 2.178 5.895 1.00 0.00 N ATOM 890 CA LEU A 73 4.175 2.973 5.014 1.00 0.00 C ATOM 891 C LEU A 73 3.496 4.093 5.783 1.00 0.00 C ATOM 892 O LEU A 73 2.748 3.852 6.735 1.00 0.00 O ATOM 893 CB LEU A 73 3.114 2.103 4.332 1.00 0.00 C ATOM 894 CG LEU A 73 3.609 1.221 3.186 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.430 0.564 2.479 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.443 2.032 2.206 1.00 0.00 C ATOM 0 H LEU A 73 4.506 1.521 6.485 1.00 0.00 H new ATOM 0 HA LEU A 73 4.819 3.406 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.658 1.462 5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.328 2.755 3.950 1.00 0.00 H new ATOM 0 HG LEU A 73 4.243 0.437 3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.796 -0.061 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.877 -0.051 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.772 1.334 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.786 1.386 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.837 2.839 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.305 2.454 2.724 1.00 0.00 H new ATOM 908 N LYS A 74 3.773 5.317 5.366 1.00 0.00 N ATOM 909 CA LYS A 74 3.177 6.495 5.973 1.00 0.00 C ATOM 910 C LYS A 74 2.036 6.993 5.100 1.00 0.00 C ATOM 911 O LYS A 74 2.257 7.552 4.022 1.00 0.00 O ATOM 912 CB LYS A 74 4.228 7.597 6.179 1.00 0.00 C ATOM 913 CG LYS A 74 5.059 7.429 7.446 1.00 0.00 C ATOM 914 CD LYS A 74 5.806 6.102 7.475 1.00 0.00 C ATOM 915 CE LYS A 74 6.456 5.850 8.823 1.00 0.00 C ATOM 916 NZ LYS A 74 5.487 5.990 9.940 1.00 0.00 N ATOM 0 H LYS A 74 4.415 5.522 4.600 1.00 0.00 H new ATOM 0 HA LYS A 74 2.784 6.228 6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.896 7.614 5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.725 8.564 6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.775 8.248 7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.407 7.496 8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.114 5.291 7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.569 6.098 6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.885 4.848 8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.279 6.551 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.852 5.497 10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.354 6.998 10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.575 5.573 9.663 1.00 0.00 H new ATOM 930 N CYS A 75 0.819 6.764 5.560 1.00 0.00 N ATOM 931 CA CYS A 75 -0.356 7.066 4.766 1.00 0.00 C ATOM 932 C CYS A 75 -1.097 8.267 5.334 1.00 0.00 C ATOM 933 O CYS A 75 -1.030 8.542 6.532 1.00 0.00 O ATOM 934 CB CYS A 75 -1.286 5.855 4.735 1.00 0.00 C ATOM 935 SG CYS A 75 -0.428 4.244 4.752 1.00 0.00 S ATOM 0 H CYS A 75 0.620 6.370 6.479 1.00 0.00 H new ATOM 0 HA CYS A 75 -0.034 7.304 3.752 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.956 5.905 5.593 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.908 5.912 3.841 1.00 0.00 H new ATOM 940 N THR A 76 -1.799 8.979 4.470 1.00 0.00 N ATOM 941 CA THR A 76 -2.618 10.097 4.893 1.00 0.00 C ATOM 942 C THR A 76 -4.050 9.907 4.391 1.00 0.00 C ATOM 943 O THR A 76 -4.275 9.187 3.411 1.00 0.00 O ATOM 944 CB THR A 76 -2.047 11.439 4.377 1.00 0.00 C ATOM 945 OG1 THR A 76 -2.768 12.538 4.945 1.00 0.00 O ATOM 946 CG2 THR A 76 -2.133 11.520 2.862 1.00 0.00 C ATOM 0 H THR A 76 -1.817 8.800 3.466 1.00 0.00 H new ATOM 0 HA THR A 76 -2.616 10.129 5.983 1.00 0.00 H new ATOM 0 HB THR A 76 -1.001 11.492 4.677 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.396 13.381 4.611 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.725 12.473 2.525 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.561 10.704 2.421 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.175 11.441 2.552 1.00 0.00 H new ATOM 954 N ASN A 77 -5.004 10.544 5.075 1.00 0.00 N ATOM 955 CA ASN A 77 -6.420 10.482 4.702 1.00 0.00 C ATOM 956 C ASN A 77 -6.962 9.057 4.772 1.00 0.00 C ATOM 957 O ASN A 77 -7.633 8.595 3.848 1.00 0.00 O ATOM 958 CB ASN A 77 -6.635 11.062 3.297 1.00 0.00 C ATOM 959 CG ASN A 77 -6.577 12.577 3.277 1.00 0.00 C ATOM 960 OD1 ASN A 77 -7.606 13.247 3.365 1.00 0.00 O ATOM 961 ND2 ASN A 77 -5.378 13.132 3.178 1.00 0.00 N ATOM 0 H ASN A 77 -4.818 11.115 5.900 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.972 11.084 5.423 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.876 10.664 2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.602 10.734 2.917 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.285 14.148 3.173 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.548 12.544 3.107 1.00 0.00 H new ATOM 968 N LEU A 78 -6.672 8.372 5.875 1.00 0.00 N ATOM 969 CA LEU A 78 -7.139 7.004 6.077 1.00 0.00 C ATOM 970 C LEU A 78 -8.656 6.953 6.222 1.00 0.00 C ATOM 971 O LEU A 78 -9.271 7.863 6.784 1.00 0.00 O ATOM 972 CB LEU A 78 -6.490 6.384 7.318 1.00 0.00 C ATOM 973 CG LEU A 78 -4.972 6.229 7.260 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.457 5.557 8.521 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.569 5.437 6.031 1.00 0.00 C ATOM 0 H LEU A 78 -6.114 8.743 6.644 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.850 6.431 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.742 6.998 8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.932 5.402 7.485 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.525 7.221 7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.373 5.455 8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.718 6.163 9.389 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.910 4.570 8.618 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.484 5.335 6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.026 4.448 6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.907 5.958 5.135 1.00 0.00 H new ATOM 987 N ALA A 79 -9.249 5.878 5.727 1.00 0.00 N ATOM 988 CA ALA A 79 -10.690 5.693 5.808 1.00 0.00 C ATOM 989 C ALA A 79 -11.069 4.987 7.107 1.00 0.00 C ATOM 990 O ALA A 79 -11.427 3.807 7.107 1.00 0.00 O ATOM 991 CB ALA A 79 -11.194 4.911 4.604 1.00 0.00 C ATOM 0 H ALA A 79 -8.753 5.117 5.263 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.165 6.674 5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.274 4.781 4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.958 5.457 3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.712 3.934 4.577 1.00 0.00 H new ATOM 997 N ALA A 80 -10.972 5.727 8.208 1.00 0.00 N ATOM 998 CA ALA A 80 -11.279 5.218 9.544 1.00 0.00 C ATOM 999 C ALA A 80 -10.351 4.072 9.934 1.00 0.00 C ATOM 1000 O ALA A 80 -9.254 4.299 10.446 1.00 0.00 O ATOM 1001 CB ALA A 80 -12.738 4.796 9.649 1.00 0.00 C ATOM 0 H ALA A 80 -10.676 6.703 8.200 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.111 6.032 10.249 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.937 4.422 10.653 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.380 5.653 9.447 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.943 4.010 8.922 1.00 0.00 H new ATOM 1007 N GLY A 81 -10.783 2.846 9.673 1.00 0.00 N ATOM 1008 CA GLY A 81 -9.978 1.691 10.007 1.00 0.00 C ATOM 1009 C GLY A 81 -9.207 1.177 8.813 1.00 0.00 C ATOM 1010 O GLY A 81 -8.247 0.418 8.959 1.00 0.00 O ATOM 0 H GLY A 81 -11.679 2.632 9.235 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.282 1.952 10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.621 0.900 10.392 1.00 0.00 H new ATOM 1014 N PHE A 82 -9.626 1.591 7.625 1.00 0.00 N ATOM 1015 CA PHE A 82 -8.972 1.165 6.401 1.00 0.00 C ATOM 1016 C PHE A 82 -7.620 1.847 6.273 1.00 0.00 C ATOM 1017 O PHE A 82 -7.534 3.056 6.042 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.843 1.463 5.179 1.00 0.00 C ATOM 1019 CG PHE A 82 -11.199 0.824 5.241 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -11.326 -0.548 5.373 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -12.345 1.597 5.176 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -12.571 -1.137 5.442 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -13.594 1.011 5.242 1.00 0.00 C ATOM 1024 CZ PHE A 82 -13.707 -0.357 5.375 1.00 0.00 C ATOM 0 H PHE A 82 -10.416 2.221 7.486 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.822 0.086 6.447 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.963 2.542 5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.328 1.118 4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.440 -1.164 5.423 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.262 2.669 5.073 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.657 -2.208 5.548 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.482 1.624 5.189 1.00 0.00 H new ATOM 0 HZ PHE A 82 -14.683 -0.817 5.427 1.00 0.00 H new ATOM 1034 N SER A 83 -6.575 1.061 6.437 1.00 0.00 N ATOM 1035 CA SER A 83 -5.221 1.571 6.445 1.00 0.00 C ATOM 1036 C SER A 83 -4.308 0.632 5.680 1.00 0.00 C ATOM 1037 O SER A 83 -4.734 -0.425 5.234 1.00 0.00 O ATOM 1038 CB SER A 83 -4.738 1.729 7.887 1.00 0.00 C ATOM 1039 OG SER A 83 -5.135 0.618 8.677 1.00 0.00 O ATOM 0 H SER A 83 -6.642 0.052 6.568 1.00 0.00 H new ATOM 0 HA SER A 83 -5.201 2.546 5.958 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.652 1.823 7.903 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.144 2.647 8.313 1.00 0.00 H new ATOM 0 HG SER A 83 -6.102 0.657 8.834 1.00 0.00 H new ATOM 1045 N ALA A 84 -3.057 1.011 5.533 1.00 0.00 N ATOM 1046 CA ALA A 84 -2.116 0.207 4.776 1.00 0.00 C ATOM 1047 C ALA A 84 -1.269 -0.650 5.709 1.00 0.00 C ATOM 1048 O ALA A 84 -1.290 -0.465 6.930 1.00 0.00 O ATOM 1049 CB ALA A 84 -1.238 1.102 3.920 1.00 0.00 C ATOM 0 H ALA A 84 -2.667 1.868 5.925 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.674 -0.461 4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.535 0.490 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.861 1.669 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.687 1.791 4.560 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.533 -1.586 5.133 1.00 0.00 N ATOM 1056 CA GLY A 85 0.300 -2.473 5.916 1.00 0.00 C ATOM 1057 C GLY A 85 1.727 -2.495 5.414 1.00 0.00 C ATOM 1058 O GLY A 85 2.159 -1.581 4.719 1.00 0.00 O ATOM 0 H GLY A 85 -0.498 -1.748 4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.287 -2.157 6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.112 -3.482 5.883 1.00 0.00 H new ATOM 1062 N THR A 86 2.448 -3.547 5.757 1.00 0.00 N ATOM 1063 CA THR A 86 3.845 -3.691 5.370 1.00 0.00 C ATOM 1064 C THR A 86 3.970 -4.120 3.899 1.00 0.00 C ATOM 1065 O THR A 86 2.969 -4.245 3.188 1.00 0.00 O ATOM 1066 CB THR A 86 4.543 -4.717 6.292 1.00 0.00 C ATOM 1067 OG1 THR A 86 5.958 -4.733 6.059 1.00 0.00 O ATOM 1068 CG2 THR A 86 3.966 -6.110 6.086 1.00 0.00 C ATOM 0 H THR A 86 2.086 -4.324 6.309 1.00 0.00 H new ATOM 0 HA THR A 86 4.334 -2.723 5.479 1.00 0.00 H new ATOM 0 HB THR A 86 4.363 -4.414 7.323 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.380 -5.388 6.654 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.473 -6.815 6.745 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.900 -6.100 6.315 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.111 -6.414 5.049 1.00 0.00 H new ATOM 1076 N SER A 87 5.197 -4.321 3.444 1.00 0.00 N ATOM 1077 CA SER A 87 5.450 -4.748 2.077 1.00 0.00 C ATOM 1078 C SER A 87 6.114 -6.123 2.075 1.00 0.00 C ATOM 1079 O SER A 87 6.911 -6.430 2.960 1.00 0.00 O ATOM 1080 CB SER A 87 6.332 -3.728 1.363 1.00 0.00 C ATOM 1081 OG SER A 87 5.737 -2.438 1.384 1.00 0.00 O ATOM 0 H SER A 87 6.039 -4.194 4.006 1.00 0.00 H new ATOM 0 HA SER A 87 4.501 -4.818 1.545 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.310 -3.689 1.842 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.494 -4.041 0.332 1.00 0.00 H new ATOM 0 HG SER A 87 6.196 -1.856 0.743 1.00 0.00 H new ATOM 1087 N THR A 88 5.786 -6.947 1.086 1.00 0.00 N ATOM 1088 CA THR A 88 6.242 -8.332 1.068 1.00 0.00 C ATOM 1089 C THR A 88 6.649 -8.764 -0.337 1.00 0.00 C ATOM 1090 O THR A 88 6.987 -7.926 -1.177 1.00 0.00 O ATOM 1091 CB THR A 88 5.139 -9.275 1.558 1.00 0.00 C ATOM 1092 OG1 THR A 88 3.984 -9.159 0.716 1.00 0.00 O ATOM 1093 CG2 THR A 88 4.762 -8.982 3.002 1.00 0.00 C ATOM 0 H THR A 88 5.208 -6.681 0.289 1.00 0.00 H new ATOM 0 HA THR A 88 7.105 -8.389 1.731 1.00 0.00 H new ATOM 0 HB THR A 88 5.521 -10.295 1.509 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.732 -8.216 0.635 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.977 -9.668 3.319 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.637 -9.111 3.640 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.402 -7.956 3.083 1.00 0.00 H new ATOM 1101 N ASP A 89 6.636 -10.085 -0.557 1.00 0.00 N ATOM 1102 CA ASP A 89 6.818 -10.696 -1.874 1.00 0.00 C ATOM 1103 C ASP A 89 8.210 -10.446 -2.444 1.00 0.00 C ATOM 1104 O ASP A 89 9.065 -11.328 -2.408 1.00 0.00 O ATOM 1105 CB ASP A 89 5.738 -10.211 -2.844 1.00 0.00 C ATOM 1106 CG ASP A 89 5.897 -10.788 -4.234 1.00 0.00 C ATOM 1107 OD1 ASP A 89 5.517 -11.956 -4.445 1.00 0.00 O ATOM 1108 OD2 ASP A 89 6.397 -10.071 -5.123 1.00 0.00 O ATOM 0 H ASP A 89 6.496 -10.767 0.188 1.00 0.00 H new ATOM 0 HA ASP A 89 6.719 -11.774 -1.745 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.757 -10.481 -2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.769 -9.123 -2.901 1.00 0.00 H new ATOM 1113 N VAL A 90 8.442 -9.244 -2.947 1.00 0.00 N ATOM 1114 CA VAL A 90 9.710 -8.909 -3.569 1.00 0.00 C ATOM 1115 C VAL A 90 10.831 -8.791 -2.541 1.00 0.00 C ATOM 1116 O VAL A 90 11.906 -9.359 -2.718 1.00 0.00 O ATOM 1117 CB VAL A 90 9.610 -7.607 -4.394 1.00 0.00 C ATOM 1118 CG1 VAL A 90 8.967 -7.886 -5.738 1.00 0.00 C ATOM 1119 CG2 VAL A 90 8.811 -6.549 -3.644 1.00 0.00 C ATOM 0 H VAL A 90 7.764 -8.482 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 90 9.952 -9.729 -4.245 1.00 0.00 H new ATOM 0 HB VAL A 90 10.619 -7.227 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.902 -6.960 -6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.570 -8.610 -6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.966 -8.289 -5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.755 -5.642 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.804 -6.921 -3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.302 -6.326 -2.696 1.00 0.00 H new ATOM 1129 N LEU A 91 10.574 -8.067 -1.462 1.00 0.00 N ATOM 1130 CA LEU A 91 11.584 -7.867 -0.433 1.00 0.00 C ATOM 1131 C LEU A 91 11.525 -8.973 0.616 1.00 0.00 C ATOM 1132 O LEU A 91 12.538 -9.324 1.214 1.00 0.00 O ATOM 1133 CB LEU A 91 11.433 -6.478 0.207 1.00 0.00 C ATOM 1134 CG LEU A 91 10.158 -6.232 1.022 1.00 0.00 C ATOM 1135 CD1 LEU A 91 10.326 -6.715 2.453 1.00 0.00 C ATOM 1136 CD2 LEU A 91 9.796 -4.762 0.999 1.00 0.00 C ATOM 0 H LEU A 91 9.681 -7.611 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 91 12.566 -7.916 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.291 -6.308 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.480 -5.731 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 91 9.347 -6.800 0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.408 -6.529 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.541 -7.784 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.150 -6.179 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.889 -4.602 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.611 -4.180 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.627 -4.445 -0.030 1.00 0.00 H new ATOM 1148 N SER A 92 10.335 -9.517 0.840 1.00 0.00 N ATOM 1149 CA SER A 92 10.151 -10.526 1.869 1.00 0.00 C ATOM 1150 C SER A 92 10.486 -11.926 1.351 1.00 0.00 C ATOM 1151 O SER A 92 11.378 -12.587 1.885 1.00 0.00 O ATOM 1152 CB SER A 92 8.709 -10.469 2.377 1.00 0.00 C ATOM 1153 OG SER A 92 8.454 -11.465 3.350 1.00 0.00 O ATOM 0 H SER A 92 9.488 -9.276 0.324 1.00 0.00 H new ATOM 0 HA SER A 92 10.836 -10.315 2.690 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.513 -9.485 2.804 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.023 -10.596 1.539 1.00 0.00 H new ATOM 0 HG SER A 92 7.524 -11.397 3.652 1.00 0.00 H new ATOM 1159 N SER A 93 9.783 -12.352 0.298 1.00 0.00 N ATOM 1160 CA SER A 93 9.860 -13.725 -0.210 1.00 0.00 C ATOM 1161 C SER A 93 9.214 -14.689 0.786 1.00 0.00 C ATOM 1162 O SER A 93 9.455 -14.620 1.993 1.00 0.00 O ATOM 1163 CB SER A 93 11.306 -14.138 -0.521 1.00 0.00 C ATOM 1164 OG SER A 93 11.350 -15.389 -1.190 1.00 0.00 O ATOM 0 H SER A 93 9.144 -11.755 -0.227 1.00 0.00 H new ATOM 0 HA SER A 93 9.309 -13.769 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.780 -13.375 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 93 11.877 -14.198 0.405 1.00 0.00 H new ATOM 0 HG SER A 93 12.282 -15.627 -1.377 1.00 0.00 H new ATOM 1170 N GLY A 94 8.372 -15.574 0.278 1.00 0.00 N ATOM 1171 CA GLY A 94 7.592 -16.434 1.145 1.00 0.00 C ATOM 1172 C GLY A 94 6.249 -15.810 1.445 1.00 0.00 C ATOM 1173 O GLY A 94 5.415 -16.377 2.150 1.00 0.00 O ATOM 0 H GLY A 94 8.214 -15.713 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.450 -17.405 0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.133 -16.609 2.075 1.00 0.00 H new ATOM 1177 N THR A 95 6.058 -14.623 0.901 1.00 0.00 N ATOM 1178 CA THR A 95 4.819 -13.889 1.041 1.00 0.00 C ATOM 1179 C THR A 95 4.162 -13.712 -0.322 1.00 0.00 C ATOM 1180 O THR A 95 4.841 -13.753 -1.349 1.00 0.00 O ATOM 1181 CB THR A 95 5.076 -12.512 1.658 1.00 0.00 C ATOM 1182 OG1 THR A 95 6.378 -12.049 1.273 1.00 0.00 O ATOM 1183 CG2 THR A 95 4.986 -12.561 3.169 1.00 0.00 C ATOM 0 H THR A 95 6.764 -14.140 0.346 1.00 0.00 H new ATOM 0 HA THR A 95 4.158 -14.456 1.697 1.00 0.00 H new ATOM 0 HB THR A 95 4.311 -11.827 1.291 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.058 -12.486 1.828 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.173 -11.568 3.577 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.990 -12.892 3.464 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.730 -13.258 3.555 1.00 0.00 H new ATOM 1191 N VAL A 96 2.852 -13.521 -0.338 1.00 0.00 N ATOM 1192 CA VAL A 96 2.142 -13.288 -1.588 1.00 0.00 C ATOM 1193 C VAL A 96 1.920 -11.796 -1.809 1.00 0.00 C ATOM 1194 O VAL A 96 1.706 -11.038 -0.857 1.00 0.00 O ATOM 1195 CB VAL A 96 0.788 -14.038 -1.646 1.00 0.00 C ATOM 1196 CG1 VAL A 96 1.007 -15.541 -1.591 1.00 0.00 C ATOM 1197 CG2 VAL A 96 -0.140 -13.588 -0.526 1.00 0.00 C ATOM 0 H VAL A 96 2.261 -13.522 0.494 1.00 0.00 H new ATOM 0 HA VAL A 96 2.771 -13.683 -2.386 1.00 0.00 H new ATOM 0 HB VAL A 96 0.309 -13.793 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.044 -16.051 -1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.619 -15.851 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.515 -15.801 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.082 -14.132 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.328 -13.790 0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.331 -12.519 -0.619 1.00 0.00 H new ATOM 1207 N GLY A 97 1.997 -11.379 -3.064 1.00 0.00 N ATOM 1208 CA GLY A 97 1.812 -9.985 -3.402 1.00 0.00 C ATOM 1209 C GLY A 97 2.072 -9.724 -4.870 1.00 0.00 C ATOM 1210 O GLY A 97 2.531 -10.615 -5.591 1.00 0.00 O ATOM 0 H GLY A 97 2.186 -11.988 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 97 0.795 -9.683 -3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 97 2.483 -9.373 -2.799 1.00 0.00 H new ATOM 1214 N SER A 98 1.774 -8.513 -5.315 1.00 0.00 N ATOM 1215 CA SER A 98 1.972 -8.125 -6.702 1.00 0.00 C ATOM 1216 C SER A 98 1.864 -6.606 -6.829 1.00 0.00 C ATOM 1217 O SER A 98 0.774 -6.108 -7.182 1.00 0.00 O ATOM 1218 CB SER A 98 0.942 -8.824 -7.599 1.00 0.00 C ATOM 1219 OG SER A 98 1.217 -8.613 -8.975 1.00 0.00 O ATOM 1220 OXT SER A 98 2.865 -5.918 -6.537 1.00 0.00 O ATOM 0 H SER A 98 1.389 -7.774 -4.727 1.00 0.00 H new ATOM 0 HA SER A 98 2.966 -8.432 -7.026 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.941 -9.893 -7.388 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.056 -8.452 -7.366 1.00 0.00 H new ATOM 0 HG SER A 98 0.543 -9.073 -9.518 1.00 0.00 H new TER 1226 SER A 98