USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 424 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 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0145 K(o=-0.014,f=-1.8!) USER MOD Single : A 9 THR OG1 : rot 7:sc= 0.935 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 130:sc= -0.396 USER MOD Single : A 18 SER OG : rot -174:sc= -0.0122! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -100:sc= 0.782 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0041 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.341 K(o=-0.34,f=-2.7!) USER MOD Single : A 36 ASN : amide:sc= -3.64! C(o=-3.6!,f=-5.9!) USER MOD Single : A 37 ASN :FLIP amide:sc= -3.77! C(o=-5.2!,f=-3.8!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HE2:sc= -6.84! C(o=-9.4!,f=-6.8!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.00688 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 52 GLN : amide:sc= -3.14! C(o=-3.1!,f=-4.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.284 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -77:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 16.033 14.018 -3.108 1.00 0.00 N ATOM 2 CA THR A 9 15.050 14.004 -1.988 1.00 0.00 C ATOM 3 C THR A 9 13.876 13.092 -2.353 1.00 0.00 C ATOM 4 O THR A 9 12.731 13.496 -2.321 1.00 0.00 O ATOM 5 CB THR A 9 14.537 15.424 -1.742 1.00 0.00 C ATOM 6 OG1 THR A 9 15.375 16.351 -2.419 1.00 0.00 O ATOM 7 CG2 THR A 9 14.551 15.722 -0.242 1.00 0.00 C ATOM 0 HA THR A 9 15.532 13.631 -1.084 1.00 0.00 H new ATOM 0 HB THR A 9 13.517 15.513 -2.117 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.018 15.864 -2.977 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.185 16.734 -0.069 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.909 15.010 0.276 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.569 15.634 0.137 1.00 0.00 H new ATOM 17 N PHE A 10 14.152 11.864 -2.700 1.00 0.00 N ATOM 18 CA PHE A 10 13.053 10.927 -3.067 1.00 0.00 C ATOM 19 C PHE A 10 12.637 10.120 -1.836 1.00 0.00 C ATOM 20 O PHE A 10 13.171 10.291 -0.757 1.00 0.00 O ATOM 21 CB PHE A 10 13.541 9.970 -4.158 1.00 0.00 C ATOM 22 CG PHE A 10 13.413 10.645 -5.525 1.00 0.00 C ATOM 23 CD1 PHE A 10 13.696 11.990 -5.670 1.00 0.00 C ATOM 24 CD2 PHE A 10 13.014 9.918 -6.633 1.00 0.00 C ATOM 25 CE1 PHE A 10 13.584 12.600 -6.903 1.00 0.00 C ATOM 26 CE2 PHE A 10 12.902 10.527 -7.865 1.00 0.00 C ATOM 27 CZ PHE A 10 13.187 11.868 -8.000 1.00 0.00 C ATOM 0 H PHE A 10 15.092 11.469 -2.745 1.00 0.00 H new ATOM 0 HA PHE A 10 12.200 11.497 -3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.579 9.691 -3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.956 9.051 -4.138 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.007 12.568 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.789 8.867 -6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.808 13.651 -7.008 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.591 9.952 -8.725 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.099 12.345 -8.965 1.00 0.00 H new ATOM 37 N VAL A 11 11.685 9.240 -1.990 1.00 0.00 N ATOM 38 CA VAL A 11 11.232 8.420 -0.832 1.00 0.00 C ATOM 39 C VAL A 11 11.170 6.951 -1.254 1.00 0.00 C ATOM 40 O VAL A 11 10.380 6.571 -2.096 1.00 0.00 O ATOM 41 CB VAL A 11 9.843 8.882 -0.390 1.00 0.00 C ATOM 42 CG1 VAL A 11 9.358 8.008 0.770 1.00 0.00 C ATOM 43 CG2 VAL A 11 9.911 10.341 0.066 1.00 0.00 C ATOM 0 H VAL A 11 11.202 9.054 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 11 11.931 8.537 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 11 9.149 8.794 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.368 8.338 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.308 6.968 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.052 8.095 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.921 10.670 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.606 10.429 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.255 10.964 -0.759 1.00 0.00 H new ATOM 53 N ALA A 12 11.995 6.121 -0.679 1.00 0.00 N ATOM 54 CA ALA A 12 11.976 4.681 -1.057 1.00 0.00 C ATOM 55 C ALA A 12 10.598 4.086 -0.760 1.00 0.00 C ATOM 56 O ALA A 12 10.240 3.840 0.374 1.00 0.00 O ATOM 57 CB ALA A 12 13.043 3.923 -0.268 1.00 0.00 C ATOM 0 H ALA A 12 12.679 6.376 0.033 1.00 0.00 H new ATOM 0 HA ALA A 12 12.186 4.590 -2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.024 2.870 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.025 4.340 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.842 4.017 0.799 1.00 0.00 H new ATOM 63 N LEU A 13 9.824 3.861 -1.782 1.00 0.00 N ATOM 64 CA LEU A 13 8.467 3.284 -1.594 1.00 0.00 C ATOM 65 C LEU A 13 8.583 1.885 -0.998 1.00 0.00 C ATOM 66 O LEU A 13 7.737 1.444 -0.247 1.00 0.00 O ATOM 67 CB LEU A 13 7.790 3.169 -2.959 1.00 0.00 C ATOM 68 CG LEU A 13 6.867 4.361 -3.190 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.085 4.133 -4.483 1.00 0.00 C ATOM 70 CD2 LEU A 13 5.892 4.489 -2.019 1.00 0.00 C ATOM 0 H LEU A 13 10.077 4.055 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 13 7.889 3.924 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.544 3.126 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.219 2.242 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 13 7.455 5.276 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.421 4.979 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.781 4.037 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.495 3.220 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.233 5.341 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.296 3.580 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.451 4.638 -1.095 1.00 0.00 H new ATOM 82 N TYR A 14 9.628 1.183 -1.329 1.00 0.00 N ATOM 83 CA TYR A 14 9.800 -0.191 -0.787 1.00 0.00 C ATOM 84 C TYR A 14 11.214 -0.372 -0.232 1.00 0.00 C ATOM 85 O TYR A 14 11.981 0.563 -0.126 1.00 0.00 O ATOM 86 CB TYR A 14 9.585 -1.180 -1.923 1.00 0.00 C ATOM 87 CG TYR A 14 8.115 -1.184 -2.329 1.00 0.00 C ATOM 88 CD1 TYR A 14 7.631 -0.234 -3.205 1.00 0.00 C ATOM 89 CD2 TYR A 14 7.255 -2.134 -1.827 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.301 -0.234 -3.571 1.00 0.00 C ATOM 91 CE2 TYR A 14 5.924 -2.136 -2.191 1.00 0.00 C ATOM 92 CZ TYR A 14 5.436 -1.186 -3.067 1.00 0.00 C ATOM 93 OH TYR A 14 4.104 -1.188 -3.432 1.00 0.00 O ATOM 0 H TYR A 14 10.371 1.501 -1.952 1.00 0.00 H new ATOM 0 HA TYR A 14 9.083 -0.358 0.017 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.207 -0.910 -2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.889 -2.179 -1.611 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.298 0.514 -3.607 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.625 -2.884 -1.143 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.933 0.515 -4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.259 -2.886 -1.788 1.00 0.00 H new ATOM 0 HH TYR A 14 3.643 -1.928 -2.984 1.00 0.00 H new ATOM 103 N ASP A 15 11.556 -1.582 0.120 1.00 0.00 N ATOM 104 CA ASP A 15 12.914 -1.852 0.668 1.00 0.00 C ATOM 105 C ASP A 15 13.604 -2.907 -0.201 1.00 0.00 C ATOM 106 O ASP A 15 13.970 -3.968 0.266 1.00 0.00 O ATOM 107 CB ASP A 15 12.790 -2.373 2.102 1.00 0.00 C ATOM 108 CG ASP A 15 12.138 -3.757 2.087 1.00 0.00 C ATOM 109 OD1 ASP A 15 11.161 -3.922 1.376 1.00 0.00 O ATOM 110 OD2 ASP A 15 12.627 -4.628 2.788 1.00 0.00 O ATOM 0 H ASP A 15 10.949 -2.399 0.051 1.00 0.00 H new ATOM 0 HA ASP A 15 13.501 -0.934 0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.774 -2.428 2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.193 -1.684 2.700 1.00 0.00 H new ATOM 115 N TYR A 16 13.774 -2.622 -1.466 1.00 0.00 N ATOM 116 CA TYR A 16 14.438 -3.596 -2.383 1.00 0.00 C ATOM 117 C TYR A 16 15.603 -4.285 -1.665 1.00 0.00 C ATOM 118 O TYR A 16 16.498 -3.643 -1.152 1.00 0.00 O ATOM 119 CB TYR A 16 14.963 -2.848 -3.613 1.00 0.00 C ATOM 120 CG TYR A 16 15.953 -3.728 -4.382 1.00 0.00 C ATOM 121 CD1 TYR A 16 15.542 -4.913 -4.956 1.00 0.00 C ATOM 122 CD2 TYR A 16 17.269 -3.337 -4.525 1.00 0.00 C ATOM 123 CE1 TYR A 16 16.433 -5.694 -5.663 1.00 0.00 C ATOM 124 CE2 TYR A 16 18.160 -4.117 -5.233 1.00 0.00 C ATOM 125 CZ TYR A 16 17.749 -5.302 -5.808 1.00 0.00 C ATOM 126 OH TYR A 16 18.639 -6.082 -6.518 1.00 0.00 O ATOM 0 H TYR A 16 13.479 -1.750 -1.906 1.00 0.00 H new ATOM 0 HA TYR A 16 13.716 -4.353 -2.690 1.00 0.00 H new ATOM 0 HB2 TYR A 16 14.132 -2.570 -4.261 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.450 -1.923 -3.305 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.515 -5.232 -4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.604 -2.412 -4.079 1.00 0.00 H new ATOM 0 HE1 TYR A 16 16.098 -6.620 -6.107 1.00 0.00 H new ATOM 0 HE2 TYR A 16 19.186 -3.798 -5.338 1.00 0.00 H new ATOM 0 HH TYR A 16 19.112 -5.526 -7.172 1.00 0.00 H new ATOM 136 N GLU A 17 15.595 -5.590 -1.627 1.00 0.00 N ATOM 137 CA GLU A 17 16.698 -6.327 -0.946 1.00 0.00 C ATOM 138 C GLU A 17 17.616 -6.947 -2.001 1.00 0.00 C ATOM 139 O GLU A 17 17.450 -8.085 -2.392 1.00 0.00 O ATOM 140 CB GLU A 17 16.109 -7.433 -0.067 1.00 0.00 C ATOM 141 CG GLU A 17 15.270 -8.379 -0.928 1.00 0.00 C ATOM 142 CD GLU A 17 15.987 -9.724 -1.057 1.00 0.00 C ATOM 143 OE1 GLU A 17 16.329 -10.291 -0.032 1.00 0.00 O ATOM 144 OE2 GLU A 17 16.183 -10.165 -2.177 1.00 0.00 O ATOM 0 H GLU A 17 14.871 -6.179 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 17 17.269 -5.638 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 17 16.909 -7.986 0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.493 -6.997 0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.287 -8.521 -0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.110 -7.944 -1.915 1.00 0.00 H new ATOM 151 N SER A 18 18.585 -6.207 -2.465 1.00 0.00 N ATOM 152 CA SER A 18 19.513 -6.752 -3.495 1.00 0.00 C ATOM 153 C SER A 18 20.132 -8.060 -2.997 1.00 0.00 C ATOM 154 O SER A 18 19.875 -8.502 -1.896 1.00 0.00 O ATOM 155 CB SER A 18 20.626 -5.739 -3.761 1.00 0.00 C ATOM 156 OG SER A 18 21.839 -6.431 -4.023 1.00 0.00 O ATOM 0 H SER A 18 18.774 -5.248 -2.175 1.00 0.00 H new ATOM 0 HA SER A 18 18.957 -6.942 -4.413 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.363 -5.108 -4.610 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.748 -5.081 -2.900 1.00 0.00 H new ATOM 0 HG SER A 18 22.574 -5.787 -4.094 1.00 0.00 H new ATOM 162 N ARG A 19 20.945 -8.682 -3.806 1.00 0.00 N ATOM 163 CA ARG A 19 21.584 -9.961 -3.389 1.00 0.00 C ATOM 164 C ARG A 19 23.103 -9.857 -3.565 1.00 0.00 C ATOM 165 O ARG A 19 23.862 -10.487 -2.856 1.00 0.00 O ATOM 166 CB ARG A 19 21.048 -11.105 -4.249 1.00 0.00 C ATOM 167 CG ARG A 19 19.551 -10.902 -4.495 1.00 0.00 C ATOM 168 CD ARG A 19 19.344 -10.237 -5.856 1.00 0.00 C ATOM 169 NE ARG A 19 19.841 -11.142 -6.931 1.00 0.00 N ATOM 170 CZ ARG A 19 19.006 -11.913 -7.573 1.00 0.00 C ATOM 171 NH1 ARG A 19 18.710 -13.091 -7.099 1.00 0.00 N ATOM 172 NH2 ARG A 19 18.467 -11.503 -8.688 1.00 0.00 N ATOM 0 H ARG A 19 21.195 -8.358 -4.740 1.00 0.00 H new ATOM 0 HA ARG A 19 21.353 -10.156 -2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.582 -11.141 -5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.219 -12.059 -3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.033 -11.861 -4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.123 -10.283 -3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.287 -10.019 -6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.875 -9.286 -5.892 1.00 0.00 H new ATOM 0 HE ARG A 19 20.834 -11.159 -7.165 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.131 -13.410 -6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 19 18.057 -13.693 -7.601 1.00 0.00 H new ATOM 0 HH21 ARG A 19 18.698 -10.581 -9.057 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.814 -12.105 -9.190 1.00 0.00 H new ATOM 186 N THR A 20 23.551 -9.068 -4.504 1.00 0.00 N ATOM 187 CA THR A 20 25.019 -8.929 -4.722 1.00 0.00 C ATOM 188 C THR A 20 25.399 -7.446 -4.740 1.00 0.00 C ATOM 189 O THR A 20 24.635 -6.595 -4.329 1.00 0.00 O ATOM 190 CB THR A 20 25.400 -9.569 -6.059 1.00 0.00 C ATOM 191 OG1 THR A 20 24.337 -10.403 -6.500 1.00 0.00 O ATOM 192 CG2 THR A 20 26.668 -10.407 -5.883 1.00 0.00 C ATOM 0 H THR A 20 22.965 -8.515 -5.129 1.00 0.00 H new ATOM 0 HA THR A 20 25.552 -9.429 -3.914 1.00 0.00 H new ATOM 0 HB THR A 20 25.583 -8.789 -6.798 1.00 0.00 H new ATOM 0 HG1 THR A 20 24.577 -10.813 -7.357 1.00 0.00 H new ATOM 0 HG21 THR A 20 26.938 -10.862 -6.836 1.00 0.00 H new ATOM 0 HG22 THR A 20 27.482 -9.768 -5.542 1.00 0.00 H new ATOM 0 HG23 THR A 20 26.488 -11.189 -5.145 1.00 0.00 H new ATOM 200 N GLU A 21 26.574 -7.130 -5.214 1.00 0.00 N ATOM 201 CA GLU A 21 27.007 -5.710 -5.261 1.00 0.00 C ATOM 202 C GLU A 21 26.352 -5.004 -6.451 1.00 0.00 C ATOM 203 O GLU A 21 26.259 -3.793 -6.492 1.00 0.00 O ATOM 204 CB GLU A 21 28.527 -5.658 -5.413 1.00 0.00 C ATOM 205 CG GLU A 21 28.946 -6.474 -6.638 1.00 0.00 C ATOM 206 CD GLU A 21 30.430 -6.237 -6.923 1.00 0.00 C ATOM 207 OE1 GLU A 21 30.735 -5.287 -7.624 1.00 0.00 O ATOM 208 OE2 GLU A 21 31.237 -7.012 -6.436 1.00 0.00 O ATOM 0 H GLU A 21 27.254 -7.801 -5.572 1.00 0.00 H new ATOM 0 HA GLU A 21 26.708 -5.208 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 21 28.857 -4.625 -5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 21 29.006 -6.054 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 21 28.763 -7.534 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 21 28.348 -6.186 -7.502 1.00 0.00 H new ATOM 215 N THR A 22 25.897 -5.750 -7.423 1.00 0.00 N ATOM 216 CA THR A 22 25.249 -5.117 -8.607 1.00 0.00 C ATOM 217 C THR A 22 24.301 -4.010 -8.141 1.00 0.00 C ATOM 218 O THR A 22 24.112 -3.015 -8.813 1.00 0.00 O ATOM 219 CB THR A 22 24.456 -6.173 -9.381 1.00 0.00 C ATOM 220 OG1 THR A 22 23.576 -5.528 -10.292 1.00 0.00 O ATOM 221 CG2 THR A 22 23.645 -7.026 -8.403 1.00 0.00 C ATOM 0 H THR A 22 25.946 -6.769 -7.447 1.00 0.00 H new ATOM 0 HA THR A 22 26.016 -4.691 -9.254 1.00 0.00 H new ATOM 0 HB THR A 22 25.145 -6.813 -9.931 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.672 -5.505 -9.913 1.00 0.00 H new ATOM 0 HG21 THR A 22 23.081 -7.777 -8.956 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.320 -7.521 -7.705 1.00 0.00 H new ATOM 0 HG23 THR A 22 22.955 -6.389 -7.850 1.00 0.00 H new ATOM 229 N ASP A 23 23.705 -4.175 -6.993 1.00 0.00 N ATOM 230 CA ASP A 23 22.771 -3.136 -6.478 1.00 0.00 C ATOM 231 C ASP A 23 22.721 -3.214 -4.954 1.00 0.00 C ATOM 232 O ASP A 23 22.648 -4.281 -4.380 1.00 0.00 O ATOM 233 CB ASP A 23 21.372 -3.382 -7.048 1.00 0.00 C ATOM 234 CG ASP A 23 21.486 -3.793 -8.518 1.00 0.00 C ATOM 235 OD1 ASP A 23 21.919 -4.905 -8.769 1.00 0.00 O ATOM 236 OD2 ASP A 23 21.138 -2.988 -9.366 1.00 0.00 O ATOM 0 H ASP A 23 23.825 -4.987 -6.388 1.00 0.00 H new ATOM 0 HA ASP A 23 23.118 -2.148 -6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.868 -4.163 -6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.767 -2.480 -6.957 1.00 0.00 H new ATOM 241 N LEU A 24 22.766 -2.094 -4.292 1.00 0.00 N ATOM 242 CA LEU A 24 22.721 -2.114 -2.805 1.00 0.00 C ATOM 243 C LEU A 24 21.272 -2.268 -2.352 1.00 0.00 C ATOM 244 O LEU A 24 20.351 -2.128 -3.132 1.00 0.00 O ATOM 245 CB LEU A 24 23.293 -0.808 -2.255 1.00 0.00 C ATOM 246 CG LEU A 24 24.764 -1.012 -1.891 1.00 0.00 C ATOM 247 CD1 LEU A 24 25.519 -1.558 -3.105 1.00 0.00 C ATOM 248 CD2 LEU A 24 25.371 0.324 -1.471 1.00 0.00 C ATOM 0 H LEU A 24 22.832 -1.168 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 24 23.314 -2.949 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 24 23.197 -0.015 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 24 22.730 -0.493 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 24 24.841 -1.722 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 24 26.568 -1.704 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 24 25.084 -2.511 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 24 25.444 -0.849 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 24 26.420 0.181 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 24 25.295 1.033 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 24 24.832 0.713 -0.607 1.00 0.00 H new ATOM 260 N SER A 25 21.061 -2.555 -1.100 1.00 0.00 N ATOM 261 CA SER A 25 19.669 -2.716 -0.608 1.00 0.00 C ATOM 262 C SER A 25 19.290 -1.524 0.267 1.00 0.00 C ATOM 263 O SER A 25 20.066 -1.069 1.084 1.00 0.00 O ATOM 264 CB SER A 25 19.570 -3.998 0.215 1.00 0.00 C ATOM 265 OG SER A 25 20.840 -4.630 0.265 1.00 0.00 O ATOM 0 H SER A 25 21.790 -2.685 -0.399 1.00 0.00 H new ATOM 0 HA SER A 25 18.989 -2.770 -1.458 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.226 -3.769 1.224 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.835 -4.670 -0.227 1.00 0.00 H new ATOM 0 HG SER A 25 20.776 -5.452 0.795 1.00 0.00 H new ATOM 271 N PHE A 26 18.102 -1.018 0.104 1.00 0.00 N ATOM 272 CA PHE A 26 17.672 0.143 0.928 1.00 0.00 C ATOM 273 C PHE A 26 16.328 -0.179 1.579 1.00 0.00 C ATOM 274 O PHE A 26 15.867 -1.303 1.541 1.00 0.00 O ATOM 275 CB PHE A 26 17.558 1.403 0.058 1.00 0.00 C ATOM 276 CG PHE A 26 16.820 1.100 -1.249 1.00 0.00 C ATOM 277 CD1 PHE A 26 17.365 0.247 -2.194 1.00 0.00 C ATOM 278 CD2 PHE A 26 15.613 1.715 -1.521 1.00 0.00 C ATOM 279 CE1 PHE A 26 16.709 0.020 -3.391 1.00 0.00 C ATOM 280 CE2 PHE A 26 14.962 1.485 -2.718 1.00 0.00 C ATOM 281 CZ PHE A 26 15.512 0.640 -3.646 1.00 0.00 C ATOM 0 H PHE A 26 17.410 -1.358 -0.564 1.00 0.00 H new ATOM 0 HA PHE A 26 18.414 0.334 1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.029 2.182 0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 26 18.553 1.789 -0.163 1.00 0.00 H new ATOM 0 HD1 PHE A 26 18.307 -0.243 -1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 26 15.175 2.381 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 26 17.139 -0.645 -4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 26 14.020 1.971 -2.922 1.00 0.00 H new ATOM 0 HZ PHE A 26 15.002 0.462 -4.581 1.00 0.00 H new ATOM 291 N LYS A 27 15.693 0.788 2.177 1.00 0.00 N ATOM 292 CA LYS A 27 14.380 0.512 2.826 1.00 0.00 C ATOM 293 C LYS A 27 13.444 1.708 2.655 1.00 0.00 C ATOM 294 O LYS A 27 13.851 2.778 2.249 1.00 0.00 O ATOM 295 CB LYS A 27 14.600 0.250 4.319 1.00 0.00 C ATOM 296 CG LYS A 27 13.291 -0.232 4.951 1.00 0.00 C ATOM 297 CD LYS A 27 13.605 -1.175 6.115 1.00 0.00 C ATOM 298 CE LYS A 27 13.922 -0.352 7.366 1.00 0.00 C ATOM 299 NZ LYS A 27 15.396 -0.323 7.582 1.00 0.00 N ATOM 0 H LYS A 27 16.022 1.751 2.245 1.00 0.00 H new ATOM 0 HA LYS A 27 13.928 -0.362 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.380 -0.499 4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.941 1.160 4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.710 0.620 5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.682 -0.745 4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.756 -1.832 6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.452 -1.813 5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.540 0.663 7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.425 -0.785 8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.611 0.236 8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.748 -1.294 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.859 0.109 6.757 1.00 0.00 H new ATOM 313 N LYS A 28 12.189 1.528 2.962 1.00 0.00 N ATOM 314 CA LYS A 28 11.217 2.646 2.822 1.00 0.00 C ATOM 315 C LYS A 28 11.315 3.547 4.055 1.00 0.00 C ATOM 316 O LYS A 28 10.900 3.187 5.137 1.00 0.00 O ATOM 317 CB LYS A 28 9.800 2.069 2.693 1.00 0.00 C ATOM 318 CG LYS A 28 8.763 3.149 3.019 1.00 0.00 C ATOM 319 CD LYS A 28 8.412 3.086 4.507 1.00 0.00 C ATOM 320 CE LYS A 28 6.901 3.245 4.683 1.00 0.00 C ATOM 321 NZ LYS A 28 6.561 3.166 6.132 1.00 0.00 N ATOM 0 H LYS A 28 11.795 0.652 3.305 1.00 0.00 H new ATOM 0 HA LYS A 28 11.441 3.233 1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.642 1.694 1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.680 1.222 3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.157 4.134 2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.867 3.002 2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.740 2.136 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.937 3.873 5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.574 4.201 4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.375 2.465 4.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.534 3.274 6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.859 2.244 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.052 3.925 6.646 1.00 0.00 H new ATOM 335 N GLY A 29 11.870 4.718 3.894 1.00 0.00 N ATOM 336 CA GLY A 29 12.000 5.648 5.050 1.00 0.00 C ATOM 337 C GLY A 29 13.419 6.220 5.073 1.00 0.00 C ATOM 338 O GLY A 29 13.685 7.224 5.703 1.00 0.00 O ATOM 0 H GLY A 29 12.239 5.070 3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.271 6.454 4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.791 5.122 5.982 1.00 0.00 H new ATOM 342 N GLU A 30 14.333 5.584 4.391 1.00 0.00 N ATOM 343 CA GLU A 30 15.735 6.089 4.370 1.00 0.00 C ATOM 344 C GLU A 30 15.891 7.100 3.233 1.00 0.00 C ATOM 345 O GLU A 30 15.298 6.963 2.182 1.00 0.00 O ATOM 346 CB GLU A 30 16.695 4.918 4.149 1.00 0.00 C ATOM 347 CG GLU A 30 17.328 4.517 5.484 1.00 0.00 C ATOM 348 CD GLU A 30 18.236 3.304 5.274 1.00 0.00 C ATOM 349 OE1 GLU A 30 18.296 2.820 4.155 1.00 0.00 O ATOM 350 OE2 GLU A 30 18.856 2.879 6.234 1.00 0.00 O ATOM 0 H GLU A 30 14.169 4.737 3.848 1.00 0.00 H new ATOM 0 HA GLU A 30 15.965 6.571 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.160 4.071 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.471 5.199 3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.903 5.349 5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.551 4.281 6.211 1.00 0.00 H new ATOM 357 N ARG A 31 16.686 8.115 3.433 1.00 0.00 N ATOM 358 CA ARG A 31 16.877 9.132 2.361 1.00 0.00 C ATOM 359 C ARG A 31 17.835 8.587 1.299 1.00 0.00 C ATOM 360 O ARG A 31 18.849 7.993 1.609 1.00 0.00 O ATOM 361 CB ARG A 31 17.460 10.410 2.967 1.00 0.00 C ATOM 362 CG ARG A 31 16.434 11.539 2.853 1.00 0.00 C ATOM 363 CD ARG A 31 17.080 12.862 3.270 1.00 0.00 C ATOM 364 NE ARG A 31 16.214 13.995 2.834 1.00 0.00 N ATOM 365 CZ ARG A 31 16.283 15.143 3.451 1.00 0.00 C ATOM 366 NH1 ARG A 31 17.445 15.641 3.775 1.00 0.00 N ATOM 367 NH2 ARG A 31 15.189 15.792 3.745 1.00 0.00 N ATOM 0 H ARG A 31 17.211 8.284 4.291 1.00 0.00 H new ATOM 0 HA ARG A 31 15.915 9.355 1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.720 10.244 4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.379 10.685 2.449 1.00 0.00 H new ATOM 0 HG2 ARG A 31 16.067 11.609 1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.573 11.327 3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.215 12.888 4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 31 18.070 12.953 2.823 1.00 0.00 H new ATOM 0 HE ARG A 31 15.568 13.873 2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 31 18.299 15.133 3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 31 17.499 16.538 4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.281 15.402 3.493 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.242 16.689 4.227 1.00 0.00 H new ATOM 381 N LEU A 32 17.522 8.786 0.048 1.00 0.00 N ATOM 382 CA LEU A 32 18.412 8.282 -1.036 1.00 0.00 C ATOM 383 C LEU A 32 18.701 9.416 -2.020 1.00 0.00 C ATOM 384 O LEU A 32 17.847 10.232 -2.308 1.00 0.00 O ATOM 385 CB LEU A 32 17.719 7.132 -1.770 1.00 0.00 C ATOM 386 CG LEU A 32 18.247 5.797 -1.242 1.00 0.00 C ATOM 387 CD1 LEU A 32 17.136 5.077 -0.475 1.00 0.00 C ATOM 388 CD2 LEU A 32 18.701 4.926 -2.416 1.00 0.00 C ATOM 0 H LEU A 32 16.687 9.277 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 32 19.348 7.925 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.640 7.191 -1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.901 7.209 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 32 19.091 5.979 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.512 4.126 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.812 5.696 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.292 4.896 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 32 19.077 3.975 -2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.857 4.744 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.492 5.438 -2.964 1.00 0.00 H new ATOM 400 N GLN A 33 19.897 9.478 -2.540 1.00 0.00 N ATOM 401 CA GLN A 33 20.235 10.563 -3.504 1.00 0.00 C ATOM 402 C GLN A 33 20.053 10.051 -4.934 1.00 0.00 C ATOM 403 O GLN A 33 20.912 9.387 -5.481 1.00 0.00 O ATOM 404 CB GLN A 33 21.687 10.996 -3.296 1.00 0.00 C ATOM 405 CG GLN A 33 21.849 12.456 -3.725 1.00 0.00 C ATOM 406 CD GLN A 33 22.338 13.286 -2.536 1.00 0.00 C ATOM 407 OE1 GLN A 33 22.205 12.879 -1.399 1.00 0.00 O ATOM 408 NE2 GLN A 33 22.902 14.443 -2.752 1.00 0.00 N ATOM 0 H GLN A 33 20.654 8.824 -2.339 1.00 0.00 H new ATOM 0 HA GLN A 33 19.576 11.415 -3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.966 10.880 -2.249 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.355 10.359 -3.876 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.559 12.527 -4.549 1.00 0.00 H new ATOM 0 HG3 GLN A 33 20.899 12.847 -4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 33 23.014 14.786 -3.706 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.231 15.005 -1.967 1.00 0.00 H new ATOM 417 N ILE A 34 18.943 10.356 -5.548 1.00 0.00 N ATOM 418 CA ILE A 34 18.706 9.888 -6.942 1.00 0.00 C ATOM 419 C ILE A 34 19.811 10.423 -7.855 1.00 0.00 C ATOM 420 O ILE A 34 20.246 11.548 -7.723 1.00 0.00 O ATOM 421 CB ILE A 34 17.350 10.403 -7.428 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.231 9.647 -6.712 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.231 10.178 -8.938 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.479 8.141 -6.827 1.00 0.00 C ATOM 0 H ILE A 34 18.189 10.910 -5.143 1.00 0.00 H new ATOM 0 HA ILE A 34 18.712 8.798 -6.965 1.00 0.00 H new ATOM 0 HB ILE A 34 17.267 11.468 -7.210 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.192 9.941 -5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.266 9.902 -7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.265 10.545 -9.285 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.029 10.716 -9.450 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.314 9.113 -9.155 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.682 7.601 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.496 7.854 -7.878 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.436 7.894 -6.368 1.00 0.00 H new ATOM 436 N VAL A 35 20.268 9.624 -8.779 1.00 0.00 N ATOM 437 CA VAL A 35 21.343 10.090 -9.697 1.00 0.00 C ATOM 438 C VAL A 35 20.747 10.428 -11.065 1.00 0.00 C ATOM 439 O VAL A 35 20.405 11.561 -11.340 1.00 0.00 O ATOM 440 CB VAL A 35 22.397 8.993 -9.859 1.00 0.00 C ATOM 441 CG1 VAL A 35 23.388 9.401 -10.951 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.145 8.803 -8.538 1.00 0.00 C ATOM 0 H VAL A 35 19.944 8.670 -8.937 1.00 0.00 H new ATOM 0 HA VAL A 35 21.808 10.981 -9.275 1.00 0.00 H new ATOM 0 HB VAL A 35 21.910 8.058 -10.137 1.00 0.00 H new ATOM 0 HG11 VAL A 35 24.141 8.621 -11.069 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.856 9.537 -11.893 1.00 0.00 H new ATOM 0 HG13 VAL A 35 23.874 10.335 -10.670 1.00 0.00 H new ATOM 0 HG21 VAL A 35 23.896 8.021 -8.654 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.633 9.737 -8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.439 8.515 -7.758 1.00 0.00 H new ATOM 452 N ASN A 36 20.618 9.456 -11.926 1.00 0.00 N ATOM 453 CA ASN A 36 20.045 9.727 -13.274 1.00 0.00 C ATOM 454 C ASN A 36 18.955 8.702 -13.608 1.00 0.00 C ATOM 455 O ASN A 36 18.503 7.958 -12.760 1.00 0.00 O ATOM 456 CB ASN A 36 21.156 9.635 -14.321 1.00 0.00 C ATOM 457 CG ASN A 36 22.255 8.683 -13.840 1.00 0.00 C ATOM 458 OD1 ASN A 36 21.972 7.637 -13.290 1.00 0.00 O ATOM 459 ND2 ASN A 36 23.506 9.005 -14.024 1.00 0.00 N ATOM 0 H ASN A 36 20.885 8.487 -11.754 1.00 0.00 H new ATOM 0 HA ASN A 36 19.607 10.725 -13.277 1.00 0.00 H new ATOM 0 HB2 ASN A 36 20.746 9.281 -15.267 1.00 0.00 H new ATOM 0 HB3 ASN A 36 21.576 10.624 -14.505 1.00 0.00 H new ATOM 0 HD21 ASN A 36 24.246 8.379 -13.706 1.00 0.00 H new ATOM 0 HD22 ASN A 36 23.744 9.883 -14.486 1.00 0.00 H new ATOM 466 N ASN A 37 18.527 8.673 -14.848 1.00 0.00 N ATOM 467 CA ASN A 37 17.467 7.709 -15.269 1.00 0.00 C ATOM 468 C ASN A 37 16.086 8.257 -14.904 1.00 0.00 C ATOM 469 O ASN A 37 15.601 8.071 -13.806 1.00 0.00 O ATOM 470 CB ASN A 37 17.684 6.364 -14.581 1.00 0.00 C ATOM 471 CG ASN A 37 17.071 5.252 -15.437 1.00 0.00 C ATOM 472 OD1 ASN A 37 16.142 5.548 -16.304 1.00 0.00 O flip ATOM 473 ND2 ASN A 37 17.443 4.102 -15.315 1.00 0.00 N flip ATOM 0 H ASN A 37 18.871 9.282 -15.590 1.00 0.00 H new ATOM 0 HA ASN A 37 17.523 7.573 -16.349 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.749 6.183 -14.438 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.227 6.371 -13.592 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.169 3.870 -14.637 1.00 0.00 H new ATOM 0 HD22 ASN A 37 17.029 3.368 -15.890 1.00 0.00 H new ATOM 480 N THR A 38 15.451 8.934 -15.822 1.00 0.00 N ATOM 481 CA THR A 38 14.101 9.498 -15.540 1.00 0.00 C ATOM 482 C THR A 38 13.023 8.485 -15.939 1.00 0.00 C ATOM 483 O THR A 38 11.958 8.438 -15.359 1.00 0.00 O ATOM 484 CB THR A 38 13.914 10.787 -16.343 1.00 0.00 C ATOM 485 OG1 THR A 38 12.642 11.347 -16.048 1.00 0.00 O ATOM 486 CG2 THR A 38 14.003 10.475 -17.838 1.00 0.00 C ATOM 0 H THR A 38 15.811 9.121 -16.758 1.00 0.00 H new ATOM 0 HA THR A 38 14.013 9.714 -14.475 1.00 0.00 H new ATOM 0 HB THR A 38 14.695 11.499 -16.076 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.522 12.174 -16.561 1.00 0.00 H new ATOM 0 HG21 THR A 38 13.870 11.393 -18.410 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.980 10.046 -18.063 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.223 9.763 -18.108 1.00 0.00 H new ATOM 494 N GLU A 39 13.293 7.673 -16.926 1.00 0.00 N ATOM 495 CA GLU A 39 12.283 6.664 -17.363 1.00 0.00 C ATOM 496 C GLU A 39 12.168 5.558 -16.311 1.00 0.00 C ATOM 497 O GLU A 39 13.136 4.905 -15.975 1.00 0.00 O ATOM 498 CB GLU A 39 12.713 6.053 -18.696 1.00 0.00 C ATOM 499 CG GLU A 39 12.085 6.842 -19.848 1.00 0.00 C ATOM 500 CD GLU A 39 10.709 6.256 -20.175 1.00 0.00 C ATOM 501 OE1 GLU A 39 10.600 5.042 -20.224 1.00 0.00 O ATOM 502 OE2 GLU A 39 9.788 7.032 -20.370 1.00 0.00 O ATOM 0 H GLU A 39 14.169 7.664 -17.449 1.00 0.00 H new ATOM 0 HA GLU A 39 11.316 7.153 -17.481 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.800 6.068 -18.781 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.404 5.009 -18.746 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.989 7.893 -19.574 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.729 6.799 -20.726 1.00 0.00 H new ATOM 509 N GLY A 40 10.987 5.333 -15.803 1.00 0.00 N ATOM 510 CA GLY A 40 10.802 4.270 -14.774 1.00 0.00 C ATOM 511 C GLY A 40 11.563 3.010 -15.190 1.00 0.00 C ATOM 512 O GLY A 40 11.195 2.331 -16.129 1.00 0.00 O ATOM 0 H GLY A 40 10.140 5.841 -16.057 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.162 4.621 -13.807 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.742 4.044 -14.657 1.00 0.00 H new ATOM 516 N ASP A 41 12.619 2.689 -14.493 1.00 0.00 N ATOM 517 CA ASP A 41 13.409 1.474 -14.843 1.00 0.00 C ATOM 518 C ASP A 41 14.269 1.065 -13.642 1.00 0.00 C ATOM 519 O ASP A 41 13.804 0.432 -12.715 1.00 0.00 O ATOM 520 CB ASP A 41 14.316 1.792 -16.035 1.00 0.00 C ATOM 521 CG ASP A 41 13.465 2.029 -17.283 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.696 1.147 -17.628 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.598 3.089 -17.874 1.00 0.00 O ATOM 0 H ASP A 41 12.970 3.217 -13.694 1.00 0.00 H new ATOM 0 HA ASP A 41 12.735 0.657 -15.102 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.918 2.675 -15.821 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.009 0.968 -16.207 1.00 0.00 H new ATOM 528 N TRP A 42 15.524 1.423 -13.656 1.00 0.00 N ATOM 529 CA TRP A 42 16.432 1.073 -12.534 1.00 0.00 C ATOM 530 C TRP A 42 17.432 2.212 -12.400 1.00 0.00 C ATOM 531 O TRP A 42 18.521 2.173 -12.937 1.00 0.00 O ATOM 532 CB TRP A 42 17.149 -0.240 -12.845 1.00 0.00 C ATOM 533 CG TRP A 42 16.109 -1.358 -12.921 1.00 0.00 C ATOM 534 CD1 TRP A 42 15.280 -1.567 -13.957 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.856 -2.233 -11.951 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.531 -2.596 -13.556 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.821 -3.073 -12.318 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.461 -2.381 -10.719 1.00 0.00 C ATOM 539 CZ2 TRP A 42 14.392 -4.057 -11.452 1.00 0.00 C ATOM 540 CZ3 TRP A 42 16.031 -3.366 -9.854 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.998 -4.204 -10.221 1.00 0.00 C ATOM 0 H TRP A 42 15.962 1.951 -14.410 1.00 0.00 H new ATOM 0 HA TRP A 42 15.881 0.939 -11.603 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.690 -0.162 -13.788 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.886 -0.461 -12.073 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.231 -1.030 -14.893 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.794 -2.995 -14.137 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.271 -1.726 -10.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.582 -4.712 -11.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.503 -3.481 -8.889 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.663 -4.976 -9.544 1.00 0.00 H new ATOM 552 N TRP A 43 17.059 3.231 -11.683 1.00 0.00 N ATOM 553 CA TRP A 43 17.963 4.393 -11.501 1.00 0.00 C ATOM 554 C TRP A 43 19.032 4.106 -10.451 1.00 0.00 C ATOM 555 O TRP A 43 18.848 3.316 -9.543 1.00 0.00 O ATOM 556 CB TRP A 43 17.136 5.594 -11.054 1.00 0.00 C ATOM 557 CG TRP A 43 15.777 5.576 -11.759 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.525 4.990 -12.948 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.684 6.196 -11.319 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.256 5.305 -13.186 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.652 6.050 -12.225 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.482 6.902 -10.150 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.419 6.613 -11.962 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.249 7.464 -9.887 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.217 7.319 -10.793 1.00 0.00 C ATOM 0 H TRP A 43 16.158 3.308 -11.211 1.00 0.00 H new ATOM 0 HA TRP A 43 18.461 4.596 -12.449 1.00 0.00 H new ATOM 0 HB2 TRP A 43 16.996 5.569 -9.973 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.665 6.518 -11.286 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.195 4.405 -13.560 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.770 5.008 -14.032 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.289 7.015 -9.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.612 6.501 -12.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.091 8.017 -8.973 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.252 7.758 -10.587 1.00 0.00 H new ATOM 576 N LEU A 44 20.149 4.762 -10.580 1.00 0.00 N ATOM 577 CA LEU A 44 21.262 4.568 -9.618 1.00 0.00 C ATOM 578 C LEU A 44 21.174 5.668 -8.559 1.00 0.00 C ATOM 579 O LEU A 44 20.838 6.796 -8.860 1.00 0.00 O ATOM 580 CB LEU A 44 22.592 4.674 -10.367 1.00 0.00 C ATOM 581 CG LEU A 44 23.736 4.246 -9.450 1.00 0.00 C ATOM 582 CD1 LEU A 44 24.968 3.916 -10.294 1.00 0.00 C ATOM 583 CD2 LEU A 44 24.068 5.386 -8.490 1.00 0.00 C ATOM 0 H LEU A 44 20.339 5.434 -11.323 1.00 0.00 H new ATOM 0 HA LEU A 44 21.196 3.589 -9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.571 4.044 -11.256 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.749 5.698 -10.706 1.00 0.00 H new ATOM 0 HG LEU A 44 23.438 3.365 -8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 44 25.785 3.610 -9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 44 24.731 3.105 -10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 44 25.267 4.797 -10.861 1.00 0.00 H new ATOM 0 HD21 LEU A 44 24.884 5.083 -7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 44 24.367 6.266 -9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 44 23.190 5.624 -7.890 1.00 0.00 H new ATOM 595 N ALA A 45 21.466 5.362 -7.328 1.00 0.00 N ATOM 596 CA ALA A 45 21.386 6.415 -6.279 1.00 0.00 C ATOM 597 C ALA A 45 22.622 6.355 -5.379 1.00 0.00 C ATOM 598 O ALA A 45 23.436 5.460 -5.478 1.00 0.00 O ATOM 599 CB ALA A 45 20.131 6.193 -5.433 1.00 0.00 C ATOM 0 H ALA A 45 21.754 4.439 -7.004 1.00 0.00 H new ATOM 0 HA ALA A 45 21.341 7.393 -6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 45 20.070 6.963 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 45 19.248 6.246 -6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 45 20.179 5.212 -4.961 1.00 0.00 H new ATOM 605 N HIS A 46 22.764 7.302 -4.493 1.00 0.00 N ATOM 606 CA HIS A 46 23.943 7.305 -3.585 1.00 0.00 C ATOM 607 C HIS A 46 23.463 7.474 -2.138 1.00 0.00 C ATOM 608 O HIS A 46 22.796 8.432 -1.801 1.00 0.00 O ATOM 609 CB HIS A 46 24.875 8.461 -3.989 1.00 0.00 C ATOM 610 CG HIS A 46 25.636 9.002 -2.773 1.00 0.00 C ATOM 611 ND1 HIS A 46 25.175 9.740 -1.698 1.00 0.00 N flip ATOM 612 CD2 HIS A 46 26.878 8.858 -2.563 1.00 0.00 C flip ATOM 613 CE1 HIS A 46 26.194 10.013 -0.868 1.00 0.00 C flip ATOM 614 NE2 HIS A 46 27.220 9.433 -1.471 1.00 0.00 N flip ATOM 0 H HIS A 46 22.112 8.075 -4.359 1.00 0.00 H new ATOM 0 HA HIS A 46 24.489 6.365 -3.662 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.583 8.116 -4.742 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.292 9.262 -4.443 1.00 0.00 H new ATOM 0 HD1 HIS A 46 24.208 10.032 -1.557 1.00 0.00 H new ATOM 0 HD2 HIS A 46 27.554 8.324 -3.215 1.00 0.00 H new ATOM 0 HE1 HIS A 46 26.180 10.567 0.059 1.00 0.00 H new ATOM 622 N SER A 47 23.796 6.546 -1.282 1.00 0.00 N ATOM 623 CA SER A 47 23.360 6.649 0.139 1.00 0.00 C ATOM 624 C SER A 47 24.212 7.698 0.856 1.00 0.00 C ATOM 625 O SER A 47 25.218 8.149 0.345 1.00 0.00 O ATOM 626 CB SER A 47 23.535 5.294 0.829 1.00 0.00 C ATOM 627 OG SER A 47 23.224 4.253 -0.087 1.00 0.00 O ATOM 0 H SER A 47 24.352 5.721 -1.506 1.00 0.00 H new ATOM 0 HA SER A 47 22.311 6.942 0.176 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.559 5.185 1.186 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.885 5.231 1.702 1.00 0.00 H new ATOM 0 HG SER A 47 23.337 3.385 0.353 1.00 0.00 H new ATOM 633 N LEU A 48 23.822 8.089 2.037 1.00 0.00 N ATOM 634 CA LEU A 48 24.612 9.108 2.781 1.00 0.00 C ATOM 635 C LEU A 48 25.675 8.414 3.635 1.00 0.00 C ATOM 636 O LEU A 48 26.009 8.863 4.713 1.00 0.00 O ATOM 637 CB LEU A 48 23.679 9.917 3.683 1.00 0.00 C ATOM 638 CG LEU A 48 22.756 10.774 2.814 1.00 0.00 C ATOM 639 CD1 LEU A 48 21.990 11.759 3.697 1.00 0.00 C ATOM 640 CD2 LEU A 48 23.594 11.546 1.792 1.00 0.00 C ATOM 0 H LEU A 48 22.991 7.747 2.519 1.00 0.00 H new ATOM 0 HA LEU A 48 25.101 9.775 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.090 9.248 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 48 24.260 10.551 4.352 1.00 0.00 H new ATOM 0 HG LEU A 48 22.047 10.131 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.333 12.369 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.394 11.208 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 48 22.696 12.404 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 48 22.939 12.157 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.303 12.189 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.138 10.842 1.162 1.00 0.00 H new ATOM 652 N THR A 49 26.208 7.322 3.162 1.00 0.00 N ATOM 653 CA THR A 49 27.249 6.600 3.946 1.00 0.00 C ATOM 654 C THR A 49 28.629 6.950 3.385 1.00 0.00 C ATOM 655 O THR A 49 28.861 8.052 2.930 1.00 0.00 O ATOM 656 CB THR A 49 27.016 5.091 3.836 1.00 0.00 C ATOM 657 OG1 THR A 49 25.629 4.841 3.655 1.00 0.00 O ATOM 658 CG2 THR A 49 27.499 4.403 5.113 1.00 0.00 C ATOM 0 H THR A 49 25.968 6.898 2.266 1.00 0.00 H new ATOM 0 HA THR A 49 27.194 6.896 4.994 1.00 0.00 H new ATOM 0 HB THR A 49 27.571 4.698 2.984 1.00 0.00 H new ATOM 0 HG1 THR A 49 25.477 3.876 3.583 1.00 0.00 H new ATOM 0 HG21 THR A 49 27.332 3.329 5.033 1.00 0.00 H new ATOM 0 HG22 THR A 49 28.563 4.596 5.250 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.946 4.793 5.968 1.00 0.00 H new ATOM 666 N THR A 50 29.550 6.024 3.414 1.00 0.00 N ATOM 667 CA THR A 50 30.910 6.316 2.878 1.00 0.00 C ATOM 668 C THR A 50 30.788 6.831 1.443 1.00 0.00 C ATOM 669 O THR A 50 31.689 7.456 0.918 1.00 0.00 O ATOM 670 CB THR A 50 31.751 5.037 2.893 1.00 0.00 C ATOM 671 OG1 THR A 50 31.455 4.290 4.065 1.00 0.00 O ATOM 672 CG2 THR A 50 33.236 5.402 2.879 1.00 0.00 C ATOM 0 H THR A 50 29.420 5.082 3.784 1.00 0.00 H new ATOM 0 HA THR A 50 31.392 7.072 3.497 1.00 0.00 H new ATOM 0 HB THR A 50 31.518 4.438 2.013 1.00 0.00 H new ATOM 0 HG1 THR A 50 31.992 3.470 4.075 1.00 0.00 H new ATOM 0 HG21 THR A 50 33.835 4.491 2.890 1.00 0.00 H new ATOM 0 HG22 THR A 50 33.462 5.974 1.979 1.00 0.00 H new ATOM 0 HG23 THR A 50 33.472 6.001 3.758 1.00 0.00 H new ATOM 680 N GLY A 51 29.680 6.574 0.804 1.00 0.00 N ATOM 681 CA GLY A 51 29.497 7.048 -0.598 1.00 0.00 C ATOM 682 C GLY A 51 29.311 5.844 -1.522 1.00 0.00 C ATOM 683 O GLY A 51 29.887 5.772 -2.590 1.00 0.00 O ATOM 0 H GLY A 51 28.892 6.056 1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 51 28.630 7.706 -0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 51 30.363 7.631 -0.912 1.00 0.00 H new ATOM 687 N GLN A 52 28.507 4.896 -1.121 1.00 0.00 N ATOM 688 CA GLN A 52 28.284 3.696 -1.975 1.00 0.00 C ATOM 689 C GLN A 52 27.099 3.939 -2.913 1.00 0.00 C ATOM 690 O GLN A 52 26.243 4.762 -2.653 1.00 0.00 O ATOM 691 CB GLN A 52 27.989 2.488 -1.085 1.00 0.00 C ATOM 692 CG GLN A 52 29.045 1.409 -1.325 1.00 0.00 C ATOM 693 CD GLN A 52 28.633 0.124 -0.604 1.00 0.00 C ATOM 694 OE1 GLN A 52 27.910 0.167 0.371 1.00 0.00 O ATOM 695 NE2 GLN A 52 29.066 -1.026 -1.045 1.00 0.00 N ATOM 0 H GLN A 52 27.995 4.902 -0.239 1.00 0.00 H new ATOM 0 HA GLN A 52 29.178 3.505 -2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 52 27.990 2.786 -0.037 1.00 0.00 H new ATOM 0 HB3 GLN A 52 26.996 2.095 -1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 52 29.152 1.221 -2.393 1.00 0.00 H new ATOM 0 HG3 GLN A 52 30.015 1.747 -0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 52 29.673 -1.062 -1.864 1.00 0.00 H new ATOM 0 HE22 GLN A 52 28.797 -1.888 -0.571 1.00 0.00 H new ATOM 704 N THR A 53 27.046 3.222 -4.003 1.00 0.00 N ATOM 705 CA THR A 53 25.923 3.399 -4.967 1.00 0.00 C ATOM 706 C THR A 53 24.720 2.573 -4.489 1.00 0.00 C ATOM 707 O THR A 53 24.824 1.779 -3.575 1.00 0.00 O ATOM 708 CB THR A 53 26.387 2.925 -6.356 1.00 0.00 C ATOM 709 OG1 THR A 53 27.065 3.989 -7.008 1.00 0.00 O ATOM 710 CG2 THR A 53 25.191 2.492 -7.209 1.00 0.00 C ATOM 0 H THR A 53 27.735 2.518 -4.268 1.00 0.00 H new ATOM 0 HA THR A 53 25.628 4.447 -5.027 1.00 0.00 H new ATOM 0 HB THR A 53 27.054 2.072 -6.231 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.365 3.693 -7.893 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.542 2.161 -8.186 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.669 1.673 -6.714 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.510 3.334 -7.334 1.00 0.00 H new ATOM 718 N GLY A 54 23.578 2.758 -5.097 1.00 0.00 N ATOM 719 CA GLY A 54 22.374 1.985 -4.678 1.00 0.00 C ATOM 720 C GLY A 54 21.339 2.002 -5.804 1.00 0.00 C ATOM 721 O GLY A 54 20.670 2.991 -6.029 1.00 0.00 O ATOM 0 H GLY A 54 23.428 3.411 -5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.652 0.958 -4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.949 2.417 -3.772 1.00 0.00 H new ATOM 725 N TYR A 55 21.198 0.914 -6.510 1.00 0.00 N ATOM 726 CA TYR A 55 20.206 0.867 -7.622 1.00 0.00 C ATOM 727 C TYR A 55 18.809 0.585 -7.064 1.00 0.00 C ATOM 728 O TYR A 55 18.523 -0.501 -6.599 1.00 0.00 O ATOM 729 CB TYR A 55 20.595 -0.244 -8.598 1.00 0.00 C ATOM 730 CG TYR A 55 21.463 0.334 -9.719 1.00 0.00 C ATOM 731 CD1 TYR A 55 22.744 0.776 -9.455 1.00 0.00 C ATOM 732 CD2 TYR A 55 20.982 0.408 -11.009 1.00 0.00 C ATOM 733 CE1 TYR A 55 23.531 1.285 -10.468 1.00 0.00 C ATOM 734 CE2 TYR A 55 21.769 0.917 -12.023 1.00 0.00 C ATOM 735 CZ TYR A 55 23.050 1.360 -11.759 1.00 0.00 C ATOM 736 OH TYR A 55 23.837 1.868 -12.773 1.00 0.00 O ATOM 0 H TYR A 55 21.727 0.054 -6.365 1.00 0.00 H new ATOM 0 HA TYR A 55 20.198 1.827 -8.138 1.00 0.00 H new ATOM 0 HB2 TYR A 55 21.138 -1.029 -8.072 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.700 -0.702 -9.018 1.00 0.00 H new ATOM 0 HD1 TYR A 55 23.133 0.723 -8.449 1.00 0.00 H new ATOM 0 HD2 TYR A 55 19.982 0.065 -11.228 1.00 0.00 H new ATOM 0 HE1 TYR A 55 24.531 1.627 -10.248 1.00 0.00 H new ATOM 0 HE2 TYR A 55 21.380 0.969 -13.029 1.00 0.00 H new ATOM 0 HH TYR A 55 23.339 1.845 -13.617 1.00 0.00 H new ATOM 746 N ILE A 56 17.934 1.554 -7.107 1.00 0.00 N ATOM 747 CA ILE A 56 16.555 1.342 -6.580 1.00 0.00 C ATOM 748 C ILE A 56 15.586 1.274 -7.769 1.00 0.00 C ATOM 749 O ILE A 56 15.491 2.215 -8.531 1.00 0.00 O ATOM 750 CB ILE A 56 16.162 2.515 -5.672 1.00 0.00 C ATOM 751 CG1 ILE A 56 16.048 3.788 -6.515 1.00 0.00 C ATOM 752 CG2 ILE A 56 17.235 2.710 -4.598 1.00 0.00 C ATOM 753 CD1 ILE A 56 15.960 5.007 -5.598 1.00 0.00 C ATOM 0 H ILE A 56 18.115 2.484 -7.485 1.00 0.00 H new ATOM 0 HA ILE A 56 16.515 0.417 -6.005 1.00 0.00 H new ATOM 0 HB ILE A 56 15.205 2.304 -5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 56 16.912 3.878 -7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 56 15.165 3.736 -7.152 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.957 3.543 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 56 17.322 1.802 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 56 18.192 2.924 -5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 56 15.879 5.911 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 56 15.082 4.918 -4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 56 16.856 5.063 -4.980 1.00 0.00 H new ATOM 765 N PRO A 57 14.896 0.169 -7.900 1.00 0.00 N ATOM 766 CA PRO A 57 13.935 -0.015 -9.002 1.00 0.00 C ATOM 767 C PRO A 57 12.949 1.158 -9.051 1.00 0.00 C ATOM 768 O PRO A 57 12.650 1.773 -8.046 1.00 0.00 O ATOM 769 CB PRO A 57 13.222 -1.337 -8.682 1.00 0.00 C ATOM 770 CG PRO A 57 13.918 -1.956 -7.441 1.00 0.00 C ATOM 771 CD PRO A 57 14.995 -0.967 -6.966 1.00 0.00 C ATOM 0 HA PRO A 57 14.417 -0.046 -9.979 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.165 -1.163 -8.481 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.278 -2.018 -9.532 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.193 -2.141 -6.649 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.366 -2.917 -7.694 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.817 -0.651 -5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.987 -1.418 -6.994 1.00 0.00 H new ATOM 779 N SER A 58 12.450 1.475 -10.214 1.00 0.00 N ATOM 780 CA SER A 58 11.487 2.608 -10.338 1.00 0.00 C ATOM 781 C SER A 58 10.214 2.299 -9.548 1.00 0.00 C ATOM 782 O SER A 58 9.526 3.190 -9.091 1.00 0.00 O ATOM 783 CB SER A 58 11.133 2.813 -11.812 1.00 0.00 C ATOM 784 OG SER A 58 9.885 2.198 -12.092 1.00 0.00 O ATOM 0 H SER A 58 12.668 0.997 -11.088 1.00 0.00 H new ATOM 0 HA SER A 58 11.945 3.513 -9.940 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.084 3.878 -12.040 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.910 2.386 -12.446 1.00 0.00 H new ATOM 0 HG SER A 58 9.659 2.332 -13.036 1.00 0.00 H new ATOM 790 N ASN A 59 9.891 1.046 -9.384 1.00 0.00 N ATOM 791 CA ASN A 59 8.659 0.691 -8.623 1.00 0.00 C ATOM 792 C ASN A 59 8.984 0.621 -7.130 1.00 0.00 C ATOM 793 O ASN A 59 8.239 0.059 -6.351 1.00 0.00 O ATOM 794 CB ASN A 59 8.142 -0.668 -9.098 1.00 0.00 C ATOM 795 CG ASN A 59 7.737 -0.573 -10.570 1.00 0.00 C ATOM 796 OD1 ASN A 59 7.669 0.507 -11.124 1.00 0.00 O ATOM 797 ND2 ASN A 59 7.462 -1.662 -11.232 1.00 0.00 N ATOM 0 H ASN A 59 10.425 0.254 -9.743 1.00 0.00 H new ATOM 0 HA ASN A 59 7.895 1.450 -8.792 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.913 -1.427 -8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.288 -0.976 -8.494 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.190 -1.607 -12.214 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.519 -2.569 -10.768 1.00 0.00 H new ATOM 804 N TYR A 60 10.089 1.185 -6.723 1.00 0.00 N ATOM 805 CA TYR A 60 10.453 1.146 -5.280 1.00 0.00 C ATOM 806 C TYR A 60 10.792 2.556 -4.791 1.00 0.00 C ATOM 807 O TYR A 60 11.314 2.733 -3.709 1.00 0.00 O ATOM 808 CB TYR A 60 11.664 0.233 -5.084 1.00 0.00 C ATOM 809 CG TYR A 60 11.243 -1.230 -5.272 1.00 0.00 C ATOM 810 CD1 TYR A 60 10.738 -1.663 -6.481 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.338 -2.127 -4.229 1.00 0.00 C ATOM 812 CE1 TYR A 60 10.331 -2.972 -6.640 1.00 0.00 C ATOM 813 CE2 TYR A 60 10.931 -3.435 -4.387 1.00 0.00 C ATOM 814 CZ TYR A 60 10.425 -3.869 -5.595 1.00 0.00 C ATOM 815 OH TYR A 60 10.021 -5.179 -5.755 1.00 0.00 O ATOM 0 H TYR A 60 10.753 1.670 -7.327 1.00 0.00 H new ATOM 0 HA TYR A 60 9.609 0.761 -4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.446 0.491 -5.798 1.00 0.00 H new ATOM 0 HB3 TYR A 60 12.082 0.376 -4.088 1.00 0.00 H new ATOM 0 HD1 TYR A 60 10.661 -0.973 -7.308 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.735 -1.802 -3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.935 -3.298 -7.591 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.009 -4.125 -3.559 1.00 0.00 H new ATOM 0 HH TYR A 60 10.159 -5.669 -4.917 1.00 0.00 H new ATOM 825 N VAL A 61 10.500 3.561 -5.579 1.00 0.00 N ATOM 826 CA VAL A 61 10.806 4.960 -5.157 1.00 0.00 C ATOM 827 C VAL A 61 9.847 5.930 -5.844 1.00 0.00 C ATOM 828 O VAL A 61 9.167 5.590 -6.792 1.00 0.00 O ATOM 829 CB VAL A 61 12.249 5.316 -5.529 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.541 4.862 -6.960 1.00 0.00 C ATOM 831 CG2 VAL A 61 12.457 6.829 -5.428 1.00 0.00 C ATOM 0 H VAL A 61 10.063 3.472 -6.496 1.00 0.00 H new ATOM 0 HA VAL A 61 10.685 5.037 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 61 12.925 4.811 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.568 5.117 -7.220 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.405 3.783 -7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.858 5.362 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.485 7.073 -5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.775 7.336 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.259 7.156 -4.407 1.00 0.00 H new ATOM 841 N ALA A 62 9.792 7.139 -5.365 1.00 0.00 N ATOM 842 CA ALA A 62 8.884 8.150 -5.975 1.00 0.00 C ATOM 843 C ALA A 62 9.295 9.552 -5.505 1.00 0.00 C ATOM 844 O ALA A 62 9.529 9.761 -4.331 1.00 0.00 O ATOM 845 CB ALA A 62 7.444 7.870 -5.537 1.00 0.00 C ATOM 0 H ALA A 62 10.340 7.474 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 62 8.953 8.094 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.778 8.609 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.151 6.873 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.376 7.929 -4.451 1.00 0.00 H new ATOM 851 N PRO A 63 9.373 10.476 -6.434 1.00 0.00 N ATOM 852 CA PRO A 63 9.757 11.865 -6.125 1.00 0.00 C ATOM 853 C PRO A 63 8.742 12.494 -5.165 1.00 0.00 C ATOM 854 O PRO A 63 7.611 12.754 -5.527 1.00 0.00 O ATOM 855 CB PRO A 63 9.742 12.589 -7.478 1.00 0.00 C ATOM 856 CG PRO A 63 9.343 11.555 -8.561 1.00 0.00 C ATOM 857 CD PRO A 63 9.091 10.212 -7.857 1.00 0.00 C ATOM 0 HA PRO A 63 10.731 11.928 -5.640 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.034 13.417 -7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.722 13.012 -7.696 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.449 11.882 -9.091 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.135 11.455 -9.304 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.064 9.876 -8.001 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.741 9.430 -8.251 1.00 0.00 H new ATOM 865 N SER A 64 9.137 12.742 -3.946 1.00 0.00 N ATOM 866 CA SER A 64 8.194 13.354 -2.968 1.00 0.00 C ATOM 867 C SER A 64 6.870 12.588 -2.990 1.00 0.00 C ATOM 868 O SER A 64 6.891 11.402 -2.708 1.00 0.00 O ATOM 869 CB SER A 64 7.944 14.815 -3.344 1.00 0.00 C ATOM 870 OG SER A 64 6.765 15.276 -2.698 1.00 0.00 O ATOM 871 OXT SER A 64 5.859 13.201 -3.290 1.00 0.00 O ATOM 0 H SER A 64 10.071 12.547 -3.586 1.00 0.00 H new ATOM 0 HA SER A 64 8.626 13.306 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.796 15.428 -3.050 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.840 14.911 -4.425 1.00 0.00 H new ATOM 0 HG SER A 64 5.978 14.935 -3.172 1.00 0.00 H new TER 877 SER A 64