USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 562 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.00965 USER MOD Single : A 3 SER OG : rot 65:sc= 0.397 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= 0.962 K(o=0.96,f=-3.9!) USER MOD Single : A 13 ASN : amide:sc= -0.286 K(o=-0.29,f=-4.7!) USER MOD Single : A 15 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.4) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc=-0.00566 X(o=-0.0057,f=0) USER MOD Single : A 30 GLN : amide:sc= -2.16! C(o=-2.2!,f=-2.3!) USER MOD Single : A 35 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00606 USER MOD Single : A 50 SER OG : rot -9:sc= 0.536 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= -0.0731 (180deg=-0.621) USER MOD Single : A 62 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.923 USER MOD Single : A 69 ASN : amide:sc= -0.574 K(o=-0.57,f=-1.5!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 144:sc= 0 (180deg=-0.337) USER MOD Single : A 74 ASN : amide:sc= -0.0965 X(o=-0.097,f=-0.097) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.921 14.068 5.682 1.00 0.00 N ATOM 2 CA GLY A 1 31.712 12.959 6.595 1.00 0.00 C ATOM 3 C GLY A 1 32.828 12.827 7.611 1.00 0.00 C ATOM 4 O GLY A 1 33.992 12.659 7.247 1.00 0.00 O ATOM 0 H1 GLY A 1 31.131 14.116 5.007 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.971 14.956 6.220 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.811 13.928 5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.764 13.095 7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.632 12.033 6.025 1.00 0.00 H new ATOM 8 N SER A 2 32.474 12.904 8.890 1.00 0.00 N ATOM 9 CA SER A 2 33.456 12.797 9.963 1.00 0.00 C ATOM 10 C SER A 2 32.768 12.614 11.313 1.00 0.00 C ATOM 11 O SER A 2 31.798 13.304 11.626 1.00 0.00 O ATOM 12 CB SER A 2 34.345 14.042 9.995 1.00 0.00 C ATOM 13 OG SER A 2 33.567 15.222 10.086 1.00 0.00 O ATOM 0 H SER A 2 31.515 13.040 9.208 1.00 0.00 H new ATOM 0 HA SER A 2 34.076 11.922 9.769 1.00 0.00 H new ATOM 0 HB2 SER A 2 35.025 13.985 10.845 1.00 0.00 H new ATOM 0 HB3 SER A 2 34.960 14.077 9.096 1.00 0.00 H new ATOM 0 HG SER A 2 32.749 15.036 10.593 1.00 0.00 H new ATOM 19 N SER A 3 33.279 11.680 12.108 1.00 0.00 N ATOM 20 CA SER A 3 32.713 11.403 13.423 1.00 0.00 C ATOM 21 C SER A 3 31.191 11.507 13.392 1.00 0.00 C ATOM 22 O SER A 3 30.577 12.059 14.303 1.00 0.00 O ATOM 23 CB SER A 3 33.281 12.372 14.461 1.00 0.00 C ATOM 24 OG SER A 3 32.742 13.672 14.293 1.00 0.00 O ATOM 0 H SER A 3 34.084 11.102 11.865 1.00 0.00 H new ATOM 0 HA SER A 3 32.985 10.385 13.701 1.00 0.00 H new ATOM 0 HB2 SER A 3 33.056 12.009 15.464 1.00 0.00 H new ATOM 0 HB3 SER A 3 34.367 12.411 14.372 1.00 0.00 H new ATOM 0 HG SER A 3 31.778 13.651 14.467 1.00 0.00 H new ATOM 30 N GLY A 4 30.589 10.970 12.335 1.00 0.00 N ATOM 31 CA GLY A 4 29.144 11.013 12.203 1.00 0.00 C ATOM 32 C GLY A 4 28.627 10.034 11.168 1.00 0.00 C ATOM 33 O GLY A 4 29.165 9.944 10.065 1.00 0.00 O ATOM 0 H GLY A 4 31.076 10.506 11.568 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.687 10.792 13.168 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.837 12.022 11.929 1.00 0.00 H new ATOM 37 N SER A 5 27.581 9.296 11.525 1.00 0.00 N ATOM 38 CA SER A 5 26.994 8.314 10.621 1.00 0.00 C ATOM 39 C SER A 5 25.643 7.833 11.143 1.00 0.00 C ATOM 40 O SER A 5 25.554 7.253 12.226 1.00 0.00 O ATOM 41 CB SER A 5 27.939 7.123 10.445 1.00 0.00 C ATOM 42 OG SER A 5 27.667 6.431 9.239 1.00 0.00 O ATOM 0 H SER A 5 27.123 9.359 12.434 1.00 0.00 H new ATOM 0 HA SER A 5 26.840 8.793 9.654 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.972 7.471 10.443 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.833 6.443 11.290 1.00 0.00 H new ATOM 0 HG SER A 5 28.285 5.676 9.149 1.00 0.00 H new ATOM 48 N SER A 6 24.594 8.078 10.365 1.00 0.00 N ATOM 49 CA SER A 6 23.247 7.674 10.749 1.00 0.00 C ATOM 50 C SER A 6 23.205 6.192 11.107 1.00 0.00 C ATOM 51 O SER A 6 22.713 5.811 12.169 1.00 0.00 O ATOM 52 CB SER A 6 22.261 7.965 9.616 1.00 0.00 C ATOM 53 OG SER A 6 21.927 9.341 9.571 1.00 0.00 O ATOM 0 H SER A 6 24.651 8.554 9.465 1.00 0.00 H new ATOM 0 HA SER A 6 22.959 8.250 11.628 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.697 7.662 8.664 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.357 7.373 9.756 1.00 0.00 H new ATOM 0 HG SER A 6 21.297 9.501 8.837 1.00 0.00 H new ATOM 59 N GLY A 7 23.725 5.358 10.211 1.00 0.00 N ATOM 60 CA GLY A 7 23.738 3.927 10.449 1.00 0.00 C ATOM 61 C GLY A 7 22.382 3.289 10.221 1.00 0.00 C ATOM 62 O GLY A 7 21.488 3.395 11.062 1.00 0.00 O ATOM 0 H GLY A 7 24.137 5.649 9.325 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.471 3.459 9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.059 3.735 11.473 1.00 0.00 H new ATOM 66 N HIS A 8 22.225 2.627 9.079 1.00 0.00 N ATOM 67 CA HIS A 8 20.967 1.970 8.742 1.00 0.00 C ATOM 68 C HIS A 8 21.002 0.496 9.134 1.00 0.00 C ATOM 69 O HIS A 8 21.939 -0.224 8.792 1.00 0.00 O ATOM 70 CB HIS A 8 20.681 2.106 7.246 1.00 0.00 C ATOM 71 CG HIS A 8 19.245 1.875 6.888 1.00 0.00 C ATOM 72 ND1 HIS A 8 18.651 0.632 6.925 1.00 0.00 N ATOM 73 CD2 HIS A 8 18.284 2.739 6.485 1.00 0.00 C ATOM 74 CE1 HIS A 8 17.386 0.740 6.559 1.00 0.00 C ATOM 75 NE2 HIS A 8 17.138 2.008 6.287 1.00 0.00 N ATOM 0 H HIS A 8 22.953 2.531 8.371 1.00 0.00 H new ATOM 0 HA HIS A 8 20.169 2.458 9.302 1.00 0.00 H new ATOM 0 HB2 HIS A 8 20.973 3.104 6.918 1.00 0.00 H new ATOM 0 HB3 HIS A 8 21.302 1.396 6.700 1.00 0.00 H new ATOM 0 HD1 HIS A 8 19.115 -0.236 7.193 1.00 0.00 H new ATOM 0 HD2 HIS A 8 18.397 3.804 6.345 1.00 0.00 H new ATOM 0 HE1 HIS A 8 16.676 -0.071 6.493 1.00 0.00 H new ATOM 84 N GLU A 9 19.974 0.055 9.853 1.00 0.00 N ATOM 85 CA GLU A 9 19.889 -1.333 10.292 1.00 0.00 C ATOM 86 C GLU A 9 19.204 -2.196 9.237 1.00 0.00 C ATOM 87 O GLU A 9 18.773 -1.698 8.197 1.00 0.00 O ATOM 88 CB GLU A 9 19.128 -1.426 11.616 1.00 0.00 C ATOM 89 CG GLU A 9 17.648 -1.105 11.491 1.00 0.00 C ATOM 90 CD GLU A 9 16.991 -0.848 12.834 1.00 0.00 C ATOM 91 OE1 GLU A 9 17.398 -1.488 13.826 1.00 0.00 O ATOM 92 OE2 GLU A 9 16.071 -0.006 12.892 1.00 0.00 O ATOM 0 H GLU A 9 19.189 0.638 10.143 1.00 0.00 H new ATOM 0 HA GLU A 9 20.903 -1.705 10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 9 19.240 -2.432 12.020 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.580 -0.742 12.334 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.523 -0.228 10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.141 -1.933 10.995 1.00 0.00 H new ATOM 99 N ARG A 10 19.109 -3.493 9.512 1.00 0.00 N ATOM 100 CA ARG A 10 18.479 -4.426 8.586 1.00 0.00 C ATOM 101 C ARG A 10 17.505 -5.345 9.319 1.00 0.00 C ATOM 102 O ARG A 10 17.916 -6.225 10.076 1.00 0.00 O ATOM 103 CB ARG A 10 19.541 -5.260 7.868 1.00 0.00 C ATOM 104 CG ARG A 10 20.460 -4.440 6.978 1.00 0.00 C ATOM 105 CD ARG A 10 21.741 -5.193 6.654 1.00 0.00 C ATOM 106 NE ARG A 10 21.472 -6.479 6.016 1.00 0.00 N ATOM 107 CZ ARG A 10 22.411 -7.231 5.453 1.00 0.00 C ATOM 108 NH1 ARG A 10 23.674 -6.827 5.448 1.00 0.00 N ATOM 109 NH2 ARG A 10 22.088 -8.389 4.892 1.00 0.00 N ATOM 0 H ARG A 10 19.460 -3.921 10.369 1.00 0.00 H new ATOM 0 HA ARG A 10 17.922 -3.847 7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 10 20.142 -5.785 8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 10 19.046 -6.020 7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 10 19.942 -4.187 6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 10 20.705 -3.500 7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 10 22.363 -4.585 5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 10 22.309 -5.354 7.570 1.00 0.00 H new ATOM 0 HE ARG A 10 20.510 -6.818 6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 10 23.926 -5.937 5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 10 24.393 -7.406 5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 10 21.117 -8.703 4.893 1.00 0.00 H new ATOM 0 HH22 ARG A 10 22.810 -8.965 4.460 1.00 0.00 H new ATOM 123 N VAL A 11 16.213 -5.133 9.090 1.00 0.00 N ATOM 124 CA VAL A 11 15.181 -5.942 9.727 1.00 0.00 C ATOM 125 C VAL A 11 14.807 -7.139 8.860 1.00 0.00 C ATOM 126 O VAL A 11 14.378 -6.982 7.718 1.00 0.00 O ATOM 127 CB VAL A 11 13.915 -5.113 10.012 1.00 0.00 C ATOM 128 CG1 VAL A 11 14.230 -3.962 10.955 1.00 0.00 C ATOM 129 CG2 VAL A 11 13.311 -4.600 8.713 1.00 0.00 C ATOM 0 H VAL A 11 15.856 -4.408 8.468 1.00 0.00 H new ATOM 0 HA VAL A 11 15.595 -6.297 10.671 1.00 0.00 H new ATOM 0 HB VAL A 11 13.182 -5.757 10.498 1.00 0.00 H new ATOM 0 HG11 VAL A 11 13.323 -3.388 11.144 1.00 0.00 H new ATOM 0 HG12 VAL A 11 14.612 -4.357 11.896 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.981 -3.315 10.501 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.417 -4.016 8.933 1.00 0.00 H new ATOM 0 HG22 VAL A 11 14.037 -3.971 8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 11 13.045 -5.444 8.077 1.00 0.00 H new ATOM 139 N GLY A 12 14.974 -8.337 9.412 1.00 0.00 N ATOM 140 CA GLY A 12 14.649 -9.545 8.675 1.00 0.00 C ATOM 141 C GLY A 12 15.139 -9.499 7.241 1.00 0.00 C ATOM 142 O GLY A 12 16.043 -8.732 6.912 1.00 0.00 O ATOM 0 H GLY A 12 15.328 -8.493 10.356 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.091 -10.404 9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.569 -9.692 8.682 1.00 0.00 H new ATOM 146 N ASN A 13 14.541 -10.322 6.387 1.00 0.00 N ATOM 147 CA ASN A 13 14.923 -10.374 4.980 1.00 0.00 C ATOM 148 C ASN A 13 13.898 -9.652 4.111 1.00 0.00 C ATOM 149 O ASN A 13 12.693 -9.872 4.240 1.00 0.00 O ATOM 150 CB ASN A 13 15.065 -11.827 4.522 1.00 0.00 C ATOM 151 CG ASN A 13 16.163 -12.563 5.264 1.00 0.00 C ATOM 152 OD1 ASN A 13 16.528 -12.194 6.380 1.00 0.00 O ATOM 153 ND2 ASN A 13 16.696 -13.610 4.645 1.00 0.00 N ATOM 0 H ASN A 13 13.790 -10.962 6.644 1.00 0.00 H new ATOM 0 HA ASN A 13 15.884 -9.871 4.871 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.118 -12.346 4.671 1.00 0.00 H new ATOM 0 HB3 ASN A 13 15.275 -11.849 3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 13 17.439 -14.144 5.095 1.00 0.00 H new ATOM 0 HD22 ASN A 13 16.362 -13.880 3.720 1.00 0.00 H new ATOM 160 N LEU A 14 14.385 -8.790 3.225 1.00 0.00 N ATOM 161 CA LEU A 14 13.511 -8.035 2.333 1.00 0.00 C ATOM 162 C LEU A 14 14.011 -8.106 0.893 1.00 0.00 C ATOM 163 O LEU A 14 14.101 -7.090 0.206 1.00 0.00 O ATOM 164 CB LEU A 14 13.427 -6.576 2.784 1.00 0.00 C ATOM 165 CG LEU A 14 12.117 -5.852 2.471 1.00 0.00 C ATOM 166 CD1 LEU A 14 12.229 -4.375 2.814 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.743 -6.034 1.007 1.00 0.00 C ATOM 0 H LEU A 14 15.379 -8.596 3.105 1.00 0.00 H new ATOM 0 HA LEU A 14 12.517 -8.480 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.591 -6.539 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.244 -6.025 2.318 1.00 0.00 H new ATOM 0 HG LEU A 14 11.328 -6.288 3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.288 -3.876 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.450 -4.264 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 14 13.030 -3.925 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.808 -5.512 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.532 -5.625 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.620 -7.096 0.792 1.00 0.00 H new ATOM 179 N ASN A 15 14.333 -9.315 0.443 1.00 0.00 N ATOM 180 CA ASN A 15 14.823 -9.519 -0.916 1.00 0.00 C ATOM 181 C ASN A 15 14.155 -8.549 -1.886 1.00 0.00 C ATOM 182 O ASN A 15 14.809 -7.983 -2.761 1.00 0.00 O ATOM 183 CB ASN A 15 14.567 -10.960 -1.361 1.00 0.00 C ATOM 184 CG ASN A 15 14.766 -11.957 -0.236 1.00 0.00 C ATOM 185 OD1 ASN A 15 15.633 -11.778 0.620 1.00 0.00 O ATOM 186 ND2 ASN A 15 13.962 -13.014 -0.233 1.00 0.00 N ATOM 0 H ASN A 15 14.264 -10.167 0.999 1.00 0.00 H new ATOM 0 HA ASN A 15 15.896 -9.329 -0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.549 -11.044 -1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.237 -11.207 -2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.049 -13.719 0.499 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.258 -13.121 -0.963 1.00 0.00 H new ATOM 193 N GLN A 16 12.849 -8.361 -1.721 1.00 0.00 N ATOM 194 CA GLN A 16 12.093 -7.460 -2.583 1.00 0.00 C ATOM 195 C GLN A 16 10.792 -7.031 -1.913 1.00 0.00 C ATOM 196 O GLN A 16 10.194 -7.772 -1.132 1.00 0.00 O ATOM 197 CB GLN A 16 11.793 -8.133 -3.923 1.00 0.00 C ATOM 198 CG GLN A 16 12.888 -7.937 -4.960 1.00 0.00 C ATOM 199 CD GLN A 16 12.479 -8.420 -6.338 1.00 0.00 C ATOM 200 OE1 GLN A 16 11.339 -8.232 -6.761 1.00 0.00 O ATOM 201 NE2 GLN A 16 13.411 -9.048 -7.046 1.00 0.00 N ATOM 0 H GLN A 16 12.293 -8.820 -0.999 1.00 0.00 H new ATOM 0 HA GLN A 16 12.700 -6.572 -2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.646 -9.201 -3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.856 -7.739 -4.317 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.149 -6.880 -5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.784 -8.471 -4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.344 -9.182 -6.656 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.194 -9.396 -7.980 1.00 0.00 H new ATOM 210 N PRO A 17 10.341 -5.807 -2.224 1.00 0.00 N ATOM 211 CA PRO A 17 9.105 -5.252 -1.663 1.00 0.00 C ATOM 212 C PRO A 17 7.861 -5.952 -2.197 1.00 0.00 C ATOM 213 O PRO A 17 7.958 -6.939 -2.928 1.00 0.00 O ATOM 214 CB PRO A 17 9.134 -3.791 -2.119 1.00 0.00 C ATOM 215 CG PRO A 17 9.971 -3.794 -3.351 1.00 0.00 C ATOM 216 CD PRO A 17 11.003 -4.869 -3.147 1.00 0.00 C ATOM 0 HA PRO A 17 9.057 -5.374 -0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.130 -3.420 -2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.562 -3.145 -1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.365 -3.997 -4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.443 -2.824 -3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.271 -5.352 -4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.923 -4.468 -2.721 1.00 0.00 H new ATOM 224 N ILE A 18 6.693 -5.436 -1.829 1.00 0.00 N ATOM 225 CA ILE A 18 5.430 -6.012 -2.273 1.00 0.00 C ATOM 226 C ILE A 18 4.555 -4.963 -2.949 1.00 0.00 C ATOM 227 O ILE A 18 4.683 -3.768 -2.682 1.00 0.00 O ATOM 228 CB ILE A 18 4.651 -6.634 -1.099 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.612 -7.332 -0.133 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.607 -7.613 -1.615 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.924 -7.948 1.065 1.00 0.00 C ATOM 0 H ILE A 18 6.595 -4.620 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 18 5.676 -6.795 -2.991 1.00 0.00 H new ATOM 0 HB ILE A 18 4.139 -5.837 -0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.153 -8.110 -0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.352 -6.611 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.065 -8.044 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.908 -7.089 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.099 -8.408 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.666 -8.425 1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.406 -7.171 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.204 -8.693 0.728 1.00 0.00 H new ATOM 243 N GLU A 19 3.664 -5.417 -3.825 1.00 0.00 N ATOM 244 CA GLU A 19 2.766 -4.517 -4.538 1.00 0.00 C ATOM 245 C GLU A 19 1.335 -4.658 -4.028 1.00 0.00 C ATOM 246 O GLU A 19 0.785 -5.759 -3.985 1.00 0.00 O ATOM 247 CB GLU A 19 2.814 -4.799 -6.042 1.00 0.00 C ATOM 248 CG GLU A 19 3.901 -4.028 -6.772 1.00 0.00 C ATOM 249 CD GLU A 19 3.819 -4.189 -8.277 1.00 0.00 C ATOM 250 OE1 GLU A 19 2.698 -4.123 -8.822 1.00 0.00 O ATOM 251 OE2 GLU A 19 4.878 -4.380 -8.911 1.00 0.00 O ATOM 0 H GLU A 19 3.545 -6.403 -4.058 1.00 0.00 H new ATOM 0 HA GLU A 19 3.098 -3.495 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.970 -5.866 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.847 -4.551 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.824 -2.971 -6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.877 -4.368 -6.427 1.00 0.00 H new ATOM 258 N VAL A 20 0.737 -3.535 -3.643 1.00 0.00 N ATOM 259 CA VAL A 20 -0.630 -3.532 -3.136 1.00 0.00 C ATOM 260 C VAL A 20 -1.444 -2.402 -3.757 1.00 0.00 C ATOM 261 O VAL A 20 -0.955 -1.283 -3.916 1.00 0.00 O ATOM 262 CB VAL A 20 -0.660 -3.388 -1.603 1.00 0.00 C ATOM 263 CG1 VAL A 20 0.087 -4.538 -0.944 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.073 -2.049 -1.182 1.00 0.00 C ATOM 0 H VAL A 20 1.178 -2.616 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.072 -4.489 -3.412 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.698 -3.424 -1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.055 -4.419 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.383 -5.482 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.124 -4.537 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.102 -1.964 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.960 -1.981 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.656 -1.241 -1.625 1.00 0.00 H new ATOM 274 N THR A 21 -2.691 -2.702 -4.108 1.00 0.00 N ATOM 275 CA THR A 21 -3.574 -1.713 -4.713 1.00 0.00 C ATOM 276 C THR A 21 -4.484 -1.077 -3.669 1.00 0.00 C ATOM 277 O THR A 21 -5.161 -1.775 -2.914 1.00 0.00 O ATOM 278 CB THR A 21 -4.441 -2.337 -5.822 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.619 -3.089 -6.722 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.193 -1.261 -6.591 1.00 0.00 C ATOM 0 H THR A 21 -3.112 -3.623 -3.983 1.00 0.00 H new ATOM 0 HA THR A 21 -2.936 -0.945 -5.151 1.00 0.00 H new ATOM 0 HB THR A 21 -5.168 -3.001 -5.354 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.178 -3.484 -7.423 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.799 -1.726 -7.369 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.840 -0.711 -5.908 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.480 -0.575 -7.048 1.00 0.00 H new ATOM 288 N ALA A 22 -4.496 0.251 -3.631 1.00 0.00 N ATOM 289 CA ALA A 22 -5.326 0.981 -2.680 1.00 0.00 C ATOM 290 C ALA A 22 -6.807 0.819 -3.007 1.00 0.00 C ATOM 291 O ALA A 22 -7.313 1.418 -3.956 1.00 0.00 O ATOM 292 CB ALA A 22 -4.945 2.454 -2.669 1.00 0.00 C ATOM 0 H ALA A 22 -3.940 0.844 -4.248 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.151 0.564 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.573 2.987 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.899 2.557 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.090 2.875 -3.664 1.00 0.00 H new ATOM 298 N LEU A 23 -7.496 0.004 -2.215 1.00 0.00 N ATOM 299 CA LEU A 23 -8.920 -0.238 -2.420 1.00 0.00 C ATOM 300 C LEU A 23 -9.718 1.055 -2.280 1.00 0.00 C ATOM 301 O LEU A 23 -10.730 1.247 -2.954 1.00 0.00 O ATOM 302 CB LEU A 23 -9.430 -1.276 -1.420 1.00 0.00 C ATOM 303 CG LEU A 23 -8.667 -2.601 -1.379 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.162 -3.467 -0.231 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.806 -3.337 -2.704 1.00 0.00 C ATOM 0 H LEU A 23 -7.092 -0.500 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.056 -0.620 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.405 -0.834 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.475 -1.488 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.611 -2.386 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.608 -4.405 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.010 -2.942 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.224 -3.675 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.257 -4.277 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.859 -3.541 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.402 -2.720 -3.507 1.00 0.00 H new ATOM 317 N TYR A 24 -9.254 1.938 -1.403 1.00 0.00 N ATOM 318 CA TYR A 24 -9.924 3.212 -1.175 1.00 0.00 C ATOM 319 C TYR A 24 -8.910 4.341 -1.019 1.00 0.00 C ATOM 320 O TYR A 24 -7.702 4.106 -0.994 1.00 0.00 O ATOM 321 CB TYR A 24 -10.809 3.131 0.070 1.00 0.00 C ATOM 322 CG TYR A 24 -11.590 1.840 0.175 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.786 1.672 -0.512 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.133 0.791 0.961 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.503 0.494 -0.419 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.842 -0.391 1.059 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.027 -0.534 0.367 1.00 0.00 C ATOM 328 OH TYR A 24 -13.738 -1.708 0.463 1.00 0.00 O ATOM 0 H TYR A 24 -8.417 1.795 -0.839 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.548 3.426 -2.043 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.185 3.241 0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.507 3.968 0.065 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.162 2.475 -1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.207 0.901 1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.431 0.379 -0.959 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.471 -1.198 1.673 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.265 -2.329 1.055 1.00 0.00 H new ATOM 338 N SER A 25 -9.411 5.568 -0.912 1.00 0.00 N ATOM 339 CA SER A 25 -8.550 6.735 -0.761 1.00 0.00 C ATOM 340 C SER A 25 -8.129 6.915 0.694 1.00 0.00 C ATOM 341 O SER A 25 -8.780 6.407 1.608 1.00 0.00 O ATOM 342 CB SER A 25 -9.268 7.992 -1.256 1.00 0.00 C ATOM 343 OG SER A 25 -10.494 8.182 -0.571 1.00 0.00 O ATOM 0 H SER A 25 -10.409 5.779 -0.927 1.00 0.00 H new ATOM 0 HA SER A 25 -7.655 6.576 -1.362 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.628 8.862 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.455 7.910 -2.327 1.00 0.00 H new ATOM 0 HG SER A 25 -10.933 8.993 -0.904 1.00 0.00 H new ATOM 349 N PHE A 26 -7.036 7.642 0.902 1.00 0.00 N ATOM 350 CA PHE A 26 -6.526 7.889 2.246 1.00 0.00 C ATOM 351 C PHE A 26 -5.770 9.212 2.306 1.00 0.00 C ATOM 352 O PHE A 26 -5.319 9.727 1.283 1.00 0.00 O ATOM 353 CB PHE A 26 -5.611 6.745 2.685 1.00 0.00 C ATOM 354 CG PHE A 26 -4.906 7.007 3.986 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.543 6.771 5.194 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.607 7.489 4.000 1.00 0.00 C ATOM 357 CE1 PHE A 26 -4.897 7.011 6.392 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.956 7.730 5.195 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.602 7.492 6.393 1.00 0.00 C ATOM 0 H PHE A 26 -6.486 8.070 0.157 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.376 7.946 2.926 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.201 5.833 2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.868 6.566 1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.556 6.395 5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.098 7.678 3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.404 6.823 7.327 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.943 8.104 5.192 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.096 7.682 7.328 1.00 0.00 H new ATOM 369 N GLU A 27 -5.636 9.757 3.511 1.00 0.00 N ATOM 370 CA GLU A 27 -4.936 11.021 3.704 1.00 0.00 C ATOM 371 C GLU A 27 -4.105 10.993 4.984 1.00 0.00 C ATOM 372 O GLU A 27 -4.642 11.085 6.087 1.00 0.00 O ATOM 373 CB GLU A 27 -5.934 12.180 3.756 1.00 0.00 C ATOM 374 CG GLU A 27 -6.226 12.793 2.396 1.00 0.00 C ATOM 375 CD GLU A 27 -7.123 14.012 2.486 1.00 0.00 C ATOM 376 OE1 GLU A 27 -8.360 13.841 2.473 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.588 15.137 2.571 1.00 0.00 O ATOM 0 H GLU A 27 -6.003 9.343 4.368 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.264 11.167 2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.867 11.825 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.545 12.954 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.287 13.072 1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.698 12.045 1.758 1.00 0.00 H new ATOM 384 N GLY A 28 -2.791 10.865 4.827 1.00 0.00 N ATOM 385 CA GLY A 28 -1.907 10.827 5.977 1.00 0.00 C ATOM 386 C GLY A 28 -2.183 11.949 6.958 1.00 0.00 C ATOM 387 O GLY A 28 -1.787 13.092 6.730 1.00 0.00 O ATOM 0 H GLY A 28 -2.323 10.787 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.018 9.869 6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.873 10.891 5.639 1.00 0.00 H new ATOM 391 N GLN A 29 -2.864 11.622 8.052 1.00 0.00 N ATOM 392 CA GLN A 29 -3.194 12.613 9.070 1.00 0.00 C ATOM 393 C GLN A 29 -1.935 13.118 9.766 1.00 0.00 C ATOM 394 O GLN A 29 -1.844 14.290 10.129 1.00 0.00 O ATOM 395 CB GLN A 29 -4.157 12.017 10.098 1.00 0.00 C ATOM 396 CG GLN A 29 -5.560 11.790 9.559 1.00 0.00 C ATOM 397 CD GLN A 29 -6.579 11.569 10.659 1.00 0.00 C ATOM 398 OE1 GLN A 29 -7.113 10.470 10.815 1.00 0.00 O ATOM 399 NE2 GLN A 29 -6.855 12.615 11.429 1.00 0.00 N ATOM 0 H GLN A 29 -3.198 10.680 8.256 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.677 13.457 8.577 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.755 11.068 10.452 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.211 12.682 10.960 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.859 12.650 8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.555 10.926 8.895 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.389 13.507 11.264 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.533 12.526 12.186 1.00 0.00 H new ATOM 408 N GLN A 30 -0.968 12.225 9.950 1.00 0.00 N ATOM 409 CA GLN A 30 0.286 12.581 10.604 1.00 0.00 C ATOM 410 C GLN A 30 1.315 13.061 9.586 1.00 0.00 C ATOM 411 O GLN A 30 1.261 12.718 8.404 1.00 0.00 O ATOM 412 CB GLN A 30 0.838 11.385 11.381 1.00 0.00 C ATOM 413 CG GLN A 30 0.336 11.305 12.813 1.00 0.00 C ATOM 414 CD GLN A 30 1.136 12.178 13.761 1.00 0.00 C ATOM 415 OE1 GLN A 30 2.331 11.962 13.963 1.00 0.00 O ATOM 416 NE2 GLN A 30 0.478 13.171 14.348 1.00 0.00 N ATOM 0 H GLN A 30 -1.029 11.250 9.656 1.00 0.00 H new ATOM 0 HA GLN A 30 0.085 13.395 11.300 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.568 10.467 10.859 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.927 11.439 11.389 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.711 11.606 12.844 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.381 10.270 13.153 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.513 13.313 14.151 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.963 13.792 14.996 1.00 0.00 H new ATOM 425 N PRO A 31 2.275 13.873 10.052 1.00 0.00 N ATOM 426 CA PRO A 31 3.335 14.416 9.197 1.00 0.00 C ATOM 427 C PRO A 31 4.323 13.346 8.747 1.00 0.00 C ATOM 428 O PRO A 31 5.290 13.636 8.044 1.00 0.00 O ATOM 429 CB PRO A 31 4.030 15.438 10.101 1.00 0.00 C ATOM 430 CG PRO A 31 3.760 14.963 11.487 1.00 0.00 C ATOM 431 CD PRO A 31 2.400 14.322 11.448 1.00 0.00 C ATOM 0 HA PRO A 31 2.937 14.841 8.275 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.100 15.482 9.899 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.634 16.441 9.942 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.518 14.250 11.810 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.781 15.792 12.194 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.329 13.488 12.146 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.615 15.029 11.715 1.00 0.00 H new ATOM 439 N GLY A 32 4.072 12.105 9.156 1.00 0.00 N ATOM 440 CA GLY A 32 4.948 11.010 8.784 1.00 0.00 C ATOM 441 C GLY A 32 4.199 9.862 8.137 1.00 0.00 C ATOM 442 O GLY A 32 4.629 8.711 8.211 1.00 0.00 O ATOM 0 H GLY A 32 3.278 11.839 9.738 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.710 11.376 8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.467 10.647 9.671 1.00 0.00 H new ATOM 446 N ASP A 33 3.074 10.174 7.503 1.00 0.00 N ATOM 447 CA ASP A 33 2.262 9.159 6.842 1.00 0.00 C ATOM 448 C ASP A 33 2.368 9.283 5.325 1.00 0.00 C ATOM 449 O ASP A 33 3.119 10.113 4.809 1.00 0.00 O ATOM 450 CB ASP A 33 0.801 9.283 7.275 1.00 0.00 C ATOM 451 CG ASP A 33 0.572 8.786 8.689 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.568 8.500 9.385 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.603 8.683 9.099 1.00 0.00 O ATOM 0 H ASP A 33 2.704 11.122 7.433 1.00 0.00 H new ATOM 0 HA ASP A 33 2.638 8.179 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.492 10.326 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.172 8.717 6.588 1.00 0.00 H new ATOM 458 N LEU A 34 1.614 8.452 4.615 1.00 0.00 N ATOM 459 CA LEU A 34 1.623 8.466 3.156 1.00 0.00 C ATOM 460 C LEU A 34 0.225 8.730 2.605 1.00 0.00 C ATOM 461 O LEU A 34 -0.763 8.201 3.113 1.00 0.00 O ATOM 462 CB LEU A 34 2.154 7.137 2.616 1.00 0.00 C ATOM 463 CG LEU A 34 2.159 6.985 1.095 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.453 7.527 0.508 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.964 5.527 0.704 1.00 0.00 C ATOM 0 H LEU A 34 0.988 7.759 5.026 1.00 0.00 H new ATOM 0 HA LEU A 34 2.280 9.272 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.173 7.002 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.556 6.330 3.040 1.00 0.00 H new ATOM 0 HG LEU A 34 1.329 7.564 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.438 7.410 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.551 8.583 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.298 6.976 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.970 5.438 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.772 4.927 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.010 5.171 1.092 1.00 0.00 H new ATOM 477 N ASN A 35 0.151 9.551 1.562 1.00 0.00 N ATOM 478 CA ASN A 35 -1.126 9.884 0.941 1.00 0.00 C ATOM 479 C ASN A 35 -1.289 9.156 -0.391 1.00 0.00 C ATOM 480 O ASN A 35 -0.445 9.270 -1.280 1.00 0.00 O ATOM 481 CB ASN A 35 -1.233 11.395 0.726 1.00 0.00 C ATOM 482 CG ASN A 35 -1.564 12.139 2.005 1.00 0.00 C ATOM 483 OD1 ASN A 35 -2.598 12.799 2.103 1.00 0.00 O ATOM 484 ND2 ASN A 35 -0.684 12.035 2.994 1.00 0.00 N ATOM 0 H ASN A 35 0.960 9.998 1.130 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.923 9.562 1.611 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.292 11.770 0.324 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.002 11.600 -0.019 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.852 12.513 3.879 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.160 11.477 2.869 1.00 0.00 H new ATOM 491 N PHE A 36 -2.380 8.410 -0.521 1.00 0.00 N ATOM 492 CA PHE A 36 -2.655 7.663 -1.743 1.00 0.00 C ATOM 493 C PHE A 36 -4.130 7.759 -2.119 1.00 0.00 C ATOM 494 O PHE A 36 -4.930 8.346 -1.390 1.00 0.00 O ATOM 495 CB PHE A 36 -2.256 6.196 -1.570 1.00 0.00 C ATOM 496 CG PHE A 36 -2.953 5.516 -0.427 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.449 5.605 0.860 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.112 4.787 -0.640 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.088 4.979 1.914 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.756 4.160 0.410 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.244 4.256 1.688 1.00 0.00 C ATOM 0 H PHE A 36 -3.089 8.306 0.205 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.064 8.101 -2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.476 5.657 -2.492 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.179 6.137 -1.415 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.547 6.170 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.517 4.708 -1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.684 5.055 2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.659 3.595 0.231 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.746 3.767 2.510 1.00 0.00 H new ATOM 511 N GLN A 37 -4.482 7.180 -3.263 1.00 0.00 N ATOM 512 CA GLN A 37 -5.861 7.202 -3.737 1.00 0.00 C ATOM 513 C GLN A 37 -6.311 5.809 -4.166 1.00 0.00 C ATOM 514 O GLN A 37 -5.492 4.968 -4.535 1.00 0.00 O ATOM 515 CB GLN A 37 -6.006 8.180 -4.904 1.00 0.00 C ATOM 516 CG GLN A 37 -5.765 9.630 -4.517 1.00 0.00 C ATOM 517 CD GLN A 37 -5.383 10.495 -5.702 1.00 0.00 C ATOM 518 OE1 GLN A 37 -5.688 10.166 -6.849 1.00 0.00 O ATOM 519 NE2 GLN A 37 -4.711 11.608 -5.431 1.00 0.00 N ATOM 0 H GLN A 37 -3.832 6.690 -3.878 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.496 7.532 -2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.304 7.901 -5.690 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.008 8.086 -5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.666 10.033 -4.053 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.974 9.676 -3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.479 11.842 -4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.427 12.229 -6.188 1.00 0.00 H new ATOM 528 N ALA A 38 -7.618 5.573 -4.113 1.00 0.00 N ATOM 529 CA ALA A 38 -8.177 4.283 -4.497 1.00 0.00 C ATOM 530 C ALA A 38 -7.678 3.857 -5.874 1.00 0.00 C ATOM 531 O ALA A 38 -8.130 4.373 -6.896 1.00 0.00 O ATOM 532 CB ALA A 38 -9.697 4.339 -4.479 1.00 0.00 C ATOM 0 H ALA A 38 -8.309 6.258 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.844 3.540 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.100 3.368 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.040 4.590 -3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.041 5.099 -5.181 1.00 0.00 H new ATOM 538 N GLY A 39 -6.743 2.912 -5.894 1.00 0.00 N ATOM 539 CA GLY A 39 -6.198 2.433 -7.151 1.00 0.00 C ATOM 540 C GLY A 39 -4.691 2.580 -7.223 1.00 0.00 C ATOM 541 O GLY A 39 -4.007 1.743 -7.812 1.00 0.00 O ATOM 0 H GLY A 39 -6.353 2.469 -5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.464 1.384 -7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.653 2.983 -7.974 1.00 0.00 H new ATOM 545 N ASP A 40 -4.173 3.647 -6.625 1.00 0.00 N ATOM 546 CA ASP A 40 -2.737 3.901 -6.624 1.00 0.00 C ATOM 547 C ASP A 40 -1.981 2.744 -5.978 1.00 0.00 C ATOM 548 O ASP A 40 -2.345 2.278 -4.898 1.00 0.00 O ATOM 549 CB ASP A 40 -2.429 5.204 -5.885 1.00 0.00 C ATOM 550 CG ASP A 40 -2.493 6.415 -6.795 1.00 0.00 C ATOM 551 OD1 ASP A 40 -2.317 6.247 -8.020 1.00 0.00 O ATOM 552 OD2 ASP A 40 -2.721 7.530 -6.282 1.00 0.00 O ATOM 0 H ASP A 40 -4.726 4.350 -6.135 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.408 3.993 -7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.138 5.330 -5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.436 5.140 -5.440 1.00 0.00 H new ATOM 557 N ARG A 41 -0.929 2.285 -6.647 1.00 0.00 N ATOM 558 CA ARG A 41 -0.123 1.181 -6.139 1.00 0.00 C ATOM 559 C ARG A 41 0.912 1.680 -5.135 1.00 0.00 C ATOM 560 O ARG A 41 1.575 2.692 -5.363 1.00 0.00 O ATOM 561 CB ARG A 41 0.578 0.460 -7.293 1.00 0.00 C ATOM 562 CG ARG A 41 -0.317 -0.524 -8.029 1.00 0.00 C ATOM 563 CD ARG A 41 -0.250 -1.910 -7.407 1.00 0.00 C ATOM 564 NE ARG A 41 -0.691 -2.948 -8.335 1.00 0.00 N ATOM 565 CZ ARG A 41 -0.928 -4.204 -7.974 1.00 0.00 C ATOM 566 NH1 ARG A 41 -0.768 -4.576 -6.712 1.00 0.00 N ATOM 567 NH2 ARG A 41 -1.326 -5.091 -8.877 1.00 0.00 N ATOM 0 H ARG A 41 -0.615 2.660 -7.542 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.788 0.482 -5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.949 1.201 -8.001 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.446 -0.072 -6.904 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.346 -0.165 -8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.017 -0.579 -9.075 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.773 -2.117 -7.091 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.871 -1.936 -6.512 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.824 -2.694 -9.314 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.462 -3.897 -6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.951 -5.541 -6.438 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.450 -4.808 -9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.508 -6.055 -8.599 1.00 0.00 H new ATOM 581 N ILE A 42 1.042 0.964 -4.023 1.00 0.00 N ATOM 582 CA ILE A 42 1.996 1.334 -2.984 1.00 0.00 C ATOM 583 C ILE A 42 3.035 0.238 -2.777 1.00 0.00 C ATOM 584 O ILE A 42 2.709 -0.872 -2.356 1.00 0.00 O ATOM 585 CB ILE A 42 1.288 1.616 -1.645 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.264 2.740 -1.811 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.307 1.973 -0.573 1.00 0.00 C ATOM 588 CD1 ILE A 42 -0.910 2.632 -0.863 1.00 0.00 C ATOM 0 H ILE A 42 0.499 0.125 -3.818 1.00 0.00 H new ATOM 0 HA ILE A 42 2.494 2.243 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 42 0.761 0.715 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.760 3.698 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.106 2.735 -2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.792 2.170 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.001 1.143 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.859 2.862 -0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.596 3.461 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.430 1.689 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.551 2.667 0.166 1.00 0.00 H new ATOM 600 N THR A 43 4.291 0.558 -3.073 1.00 0.00 N ATOM 601 CA THR A 43 5.380 -0.398 -2.919 1.00 0.00 C ATOM 602 C THR A 43 5.688 -0.648 -1.447 1.00 0.00 C ATOM 603 O THR A 43 6.399 0.128 -0.810 1.00 0.00 O ATOM 604 CB THR A 43 6.660 0.089 -3.623 1.00 0.00 C ATOM 605 OG1 THR A 43 6.420 0.241 -5.027 1.00 0.00 O ATOM 606 CG2 THR A 43 7.805 -0.888 -3.402 1.00 0.00 C ATOM 0 H THR A 43 4.579 1.473 -3.421 1.00 0.00 H new ATOM 0 HA THR A 43 5.051 -1.328 -3.382 1.00 0.00 H new ATOM 0 HB THR A 43 6.938 1.053 -3.196 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.238 0.553 -5.467 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.698 -0.522 -3.909 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.005 -0.979 -2.334 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.533 -1.864 -3.804 1.00 0.00 H new ATOM 614 N VAL A 44 5.147 -1.738 -0.911 1.00 0.00 N ATOM 615 CA VAL A 44 5.366 -2.092 0.486 1.00 0.00 C ATOM 616 C VAL A 44 6.829 -2.435 0.744 1.00 0.00 C ATOM 617 O VAL A 44 7.390 -3.325 0.104 1.00 0.00 O ATOM 618 CB VAL A 44 4.488 -3.286 0.907 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.686 -3.601 2.382 1.00 0.00 C ATOM 620 CG2 VAL A 44 3.024 -3.003 0.605 1.00 0.00 C ATOM 0 H VAL A 44 4.554 -2.391 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 44 5.090 -1.221 1.080 1.00 0.00 H new ATOM 0 HB VAL A 44 4.792 -4.160 0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.058 -4.447 2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.732 -3.850 2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.411 -2.732 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.418 -3.857 0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.704 -2.117 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.900 -2.832 -0.464 1.00 0.00 H new ATOM 630 N ILE A 45 7.440 -1.725 1.686 1.00 0.00 N ATOM 631 CA ILE A 45 8.837 -1.956 2.030 1.00 0.00 C ATOM 632 C ILE A 45 8.966 -2.594 3.409 1.00 0.00 C ATOM 633 O ILE A 45 9.822 -3.450 3.631 1.00 0.00 O ATOM 634 CB ILE A 45 9.647 -0.646 2.005 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.822 0.500 2.594 1.00 0.00 C ATOM 636 CG2 ILE A 45 10.080 -0.318 0.584 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.558 1.822 2.622 1.00 0.00 C ATOM 0 H ILE A 45 6.990 -0.985 2.225 1.00 0.00 H new ATOM 0 HA ILE A 45 9.238 -2.636 1.279 1.00 0.00 H new ATOM 0 HB ILE A 45 10.541 -0.777 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.907 0.615 2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.524 0.238 3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.651 0.610 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.700 -1.126 0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.199 -0.203 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.913 2.588 3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.459 1.724 3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.833 2.107 1.606 1.00 0.00 H new ATOM 649 N SER A 46 8.109 -2.172 4.333 1.00 0.00 N ATOM 650 CA SER A 46 8.127 -2.700 5.692 1.00 0.00 C ATOM 651 C SER A 46 6.709 -2.886 6.222 1.00 0.00 C ATOM 652 O SER A 46 6.020 -1.916 6.539 1.00 0.00 O ATOM 653 CB SER A 46 8.910 -1.764 6.615 1.00 0.00 C ATOM 654 OG SER A 46 9.282 -2.423 7.813 1.00 0.00 O ATOM 0 H SER A 46 7.393 -1.465 4.165 1.00 0.00 H new ATOM 0 HA SER A 46 8.618 -3.673 5.671 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.802 -1.405 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.304 -0.889 6.851 1.00 0.00 H new ATOM 0 HG SER A 46 9.783 -1.804 8.385 1.00 0.00 H new ATOM 660 N LYS A 47 6.279 -4.140 6.315 1.00 0.00 N ATOM 661 CA LYS A 47 4.943 -4.456 6.808 1.00 0.00 C ATOM 662 C LYS A 47 5.002 -5.537 7.882 1.00 0.00 C ATOM 663 O LYS A 47 6.060 -6.110 8.145 1.00 0.00 O ATOM 664 CB LYS A 47 4.048 -4.915 5.655 1.00 0.00 C ATOM 665 CG LYS A 47 4.506 -6.210 5.007 1.00 0.00 C ATOM 666 CD LYS A 47 3.414 -6.819 4.144 1.00 0.00 C ATOM 667 CE LYS A 47 2.444 -7.646 4.975 1.00 0.00 C ATOM 668 NZ LYS A 47 3.003 -8.985 5.310 1.00 0.00 N ATOM 0 H LYS A 47 6.836 -4.954 6.056 1.00 0.00 H new ATOM 0 HA LYS A 47 4.522 -3.553 7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.031 -5.044 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.015 -4.132 4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.389 -6.020 4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.799 -6.921 5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.870 -6.026 3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.864 -7.447 3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.206 -7.111 5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.510 -7.769 4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.312 -9.518 5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.206 -9.506 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.881 -8.868 5.855 1.00 0.00 H new ATOM 682 N THR A 48 3.857 -5.814 8.500 1.00 0.00 N ATOM 683 CA THR A 48 3.778 -6.827 9.545 1.00 0.00 C ATOM 684 C THR A 48 2.805 -7.936 9.163 1.00 0.00 C ATOM 685 O THR A 48 2.068 -7.818 8.184 1.00 0.00 O ATOM 686 CB THR A 48 3.340 -6.215 10.888 1.00 0.00 C ATOM 687 OG1 THR A 48 2.013 -5.689 10.778 1.00 0.00 O ATOM 688 CG2 THR A 48 4.294 -5.110 11.317 1.00 0.00 C ATOM 0 H THR A 48 2.972 -5.351 8.294 1.00 0.00 H new ATOM 0 HA THR A 48 4.778 -7.247 9.655 1.00 0.00 H new ATOM 0 HB THR A 48 3.357 -7.002 11.642 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.742 -5.303 11.637 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.964 -4.693 12.268 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.298 -5.519 11.429 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.305 -4.325 10.561 1.00 0.00 H new ATOM 696 N ASP A 49 2.807 -9.013 9.942 1.00 0.00 N ATOM 697 CA ASP A 49 1.922 -10.143 9.686 1.00 0.00 C ATOM 698 C ASP A 49 0.513 -9.857 10.197 1.00 0.00 C ATOM 699 O ASP A 49 -0.094 -10.689 10.870 1.00 0.00 O ATOM 700 CB ASP A 49 2.471 -11.408 10.347 1.00 0.00 C ATOM 701 CG ASP A 49 3.927 -11.655 10.005 1.00 0.00 C ATOM 702 OD1 ASP A 49 4.794 -10.939 10.549 1.00 0.00 O ATOM 703 OD2 ASP A 49 4.200 -12.564 9.195 1.00 0.00 O ATOM 0 H ASP A 49 3.412 -9.127 10.756 1.00 0.00 H new ATOM 0 HA ASP A 49 1.873 -10.298 8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.364 -11.325 11.429 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.876 -12.266 10.033 1.00 0.00 H new ATOM 708 N SER A 50 0.001 -8.674 9.874 1.00 0.00 N ATOM 709 CA SER A 50 -1.334 -8.276 10.305 1.00 0.00 C ATOM 710 C SER A 50 -1.890 -7.177 9.404 1.00 0.00 C ATOM 711 O SER A 50 -1.205 -6.199 9.102 1.00 0.00 O ATOM 712 CB SER A 50 -1.302 -7.794 11.756 1.00 0.00 C ATOM 713 OG SER A 50 -0.791 -8.798 12.616 1.00 0.00 O ATOM 0 H SER A 50 0.490 -7.975 9.316 1.00 0.00 H new ATOM 0 HA SER A 50 -1.987 -9.146 10.233 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.686 -6.898 11.831 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.307 -7.517 12.073 1.00 0.00 H new ATOM 0 HG SER A 50 -0.705 -9.640 12.121 1.00 0.00 H new ATOM 719 N HIS A 51 -3.138 -7.344 8.978 1.00 0.00 N ATOM 720 CA HIS A 51 -3.789 -6.367 8.113 1.00 0.00 C ATOM 721 C HIS A 51 -4.216 -5.136 8.907 1.00 0.00 C ATOM 722 O HIS A 51 -3.775 -4.021 8.629 1.00 0.00 O ATOM 723 CB HIS A 51 -5.003 -6.991 7.425 1.00 0.00 C ATOM 724 CG HIS A 51 -4.657 -7.788 6.205 1.00 0.00 C ATOM 725 ND1 HIS A 51 -5.348 -7.685 5.017 1.00 0.00 N ATOM 726 CD2 HIS A 51 -3.683 -8.705 5.994 1.00 0.00 C ATOM 727 CE1 HIS A 51 -4.817 -8.505 4.128 1.00 0.00 C ATOM 728 NE2 HIS A 51 -3.804 -9.135 4.696 1.00 0.00 N ATOM 0 H HIS A 51 -3.719 -8.147 9.218 1.00 0.00 H new ATOM 0 HA HIS A 51 -3.071 -6.056 7.354 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.521 -7.636 8.135 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.699 -6.200 7.146 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.948 -9.036 6.713 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.153 -8.638 3.110 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.208 -9.828 4.243 1.00 0.00 H new ATOM 737 N PHE A 52 -5.077 -5.347 9.897 1.00 0.00 N ATOM 738 CA PHE A 52 -5.566 -4.255 10.731 1.00 0.00 C ATOM 739 C PHE A 52 -4.447 -3.263 11.038 1.00 0.00 C ATOM 740 O PHE A 52 -4.653 -2.050 11.004 1.00 0.00 O ATOM 741 CB PHE A 52 -6.149 -4.802 12.035 1.00 0.00 C ATOM 742 CG PHE A 52 -7.542 -5.345 11.887 1.00 0.00 C ATOM 743 CD1 PHE A 52 -8.619 -4.489 11.718 1.00 0.00 C ATOM 744 CD2 PHE A 52 -7.775 -6.710 11.917 1.00 0.00 C ATOM 745 CE1 PHE A 52 -9.901 -4.985 11.582 1.00 0.00 C ATOM 746 CE2 PHE A 52 -9.056 -7.213 11.782 1.00 0.00 C ATOM 747 CZ PHE A 52 -10.120 -6.349 11.613 1.00 0.00 C ATOM 0 H PHE A 52 -5.451 -6.264 10.141 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.350 -3.734 10.181 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.498 -5.591 12.412 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.154 -4.009 12.782 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.454 -3.422 11.692 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.946 -7.390 12.047 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.732 -4.307 11.452 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.224 -8.280 11.809 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.121 -6.739 11.505 1.00 0.00 H new ATOM 757 N ASP A 53 -3.265 -3.788 11.337 1.00 0.00 N ATOM 758 CA ASP A 53 -2.113 -2.950 11.650 1.00 0.00 C ATOM 759 C ASP A 53 -1.733 -2.081 10.455 1.00 0.00 C ATOM 760 O ASP A 53 -2.184 -2.317 9.335 1.00 0.00 O ATOM 761 CB ASP A 53 -0.922 -3.817 12.064 1.00 0.00 C ATOM 762 CG ASP A 53 -1.090 -4.406 13.451 1.00 0.00 C ATOM 763 OD1 ASP A 53 -1.839 -3.818 14.258 1.00 0.00 O ATOM 764 OD2 ASP A 53 -0.471 -5.455 13.729 1.00 0.00 O ATOM 0 H ASP A 53 -3.079 -4.790 11.369 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.384 -2.298 12.480 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.795 -4.624 11.342 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.012 -3.218 12.035 1.00 0.00 H new ATOM 769 N TRP A 54 -0.904 -1.074 10.703 1.00 0.00 N ATOM 770 CA TRP A 54 -0.465 -0.168 9.648 1.00 0.00 C ATOM 771 C TRP A 54 0.897 -0.585 9.104 1.00 0.00 C ATOM 772 O TRP A 54 1.794 -0.950 9.864 1.00 0.00 O ATOM 773 CB TRP A 54 -0.399 1.267 10.174 1.00 0.00 C ATOM 774 CG TRP A 54 -1.745 1.913 10.306 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.884 1.343 10.799 1.00 0.00 C ATOM 776 CD2 TRP A 54 -2.092 3.253 9.936 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.918 2.247 10.758 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.458 3.426 10.234 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.382 4.322 9.385 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -4.125 4.625 9.998 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -2.045 5.512 9.151 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.405 5.656 9.457 1.00 0.00 C ATOM 0 H TRP A 54 -0.522 -0.864 11.625 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.191 -0.217 8.836 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.094 1.268 11.146 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.219 1.864 9.503 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.961 0.331 11.167 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.873 2.069 11.068 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.334 4.221 9.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.173 4.738 10.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.506 6.345 8.725 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.895 6.599 9.262 1.00 0.00 H new ATOM 793 N TRP A 55 1.044 -0.529 7.785 1.00 0.00 N ATOM 794 CA TRP A 55 2.298 -0.902 7.140 1.00 0.00 C ATOM 795 C TRP A 55 2.987 0.320 6.543 1.00 0.00 C ATOM 796 O TRP A 55 2.413 1.407 6.501 1.00 0.00 O ATOM 797 CB TRP A 55 2.044 -1.943 6.048 1.00 0.00 C ATOM 798 CG TRP A 55 1.467 -3.224 6.572 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.482 -3.661 7.865 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.791 -4.232 5.813 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.857 -4.881 7.956 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.423 -5.253 6.711 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.459 -4.371 4.463 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.258 -6.395 6.301 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.217 -5.506 4.057 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.571 -6.506 4.973 1.00 0.00 C ATOM 0 H TRP A 55 0.311 -0.229 7.142 1.00 0.00 H new ATOM 0 HA TRP A 55 2.953 -1.332 7.897 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.364 -1.523 5.307 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.982 -2.158 5.535 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.921 -3.126 8.695 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.736 -5.422 8.812 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.726 -3.605 3.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.530 -7.167 7.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.477 -5.624 3.015 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.101 -7.380 4.625 1.00 0.00 H new ATOM 817 N GLU A 56 4.221 0.133 6.084 1.00 0.00 N ATOM 818 CA GLU A 56 4.987 1.222 5.490 1.00 0.00 C ATOM 819 C GLU A 56 5.369 0.897 4.049 1.00 0.00 C ATOM 820 O GLU A 56 6.141 -0.025 3.793 1.00 0.00 O ATOM 821 CB GLU A 56 6.248 1.496 6.313 1.00 0.00 C ATOM 822 CG GLU A 56 7.011 2.732 5.866 1.00 0.00 C ATOM 823 CD GLU A 56 8.222 3.015 6.732 1.00 0.00 C ATOM 824 OE1 GLU A 56 9.181 2.216 6.691 1.00 0.00 O ATOM 825 OE2 GLU A 56 8.211 4.036 7.451 1.00 0.00 O ATOM 0 H GLU A 56 4.711 -0.761 6.112 1.00 0.00 H new ATOM 0 HA GLU A 56 4.360 2.114 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.970 1.610 7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.907 0.630 6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.331 2.603 4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.344 3.594 5.888 1.00 0.00 H new ATOM 832 N GLY A 57 4.819 1.662 3.110 1.00 0.00 N ATOM 833 CA GLY A 57 5.112 1.440 1.707 1.00 0.00 C ATOM 834 C GLY A 57 5.632 2.687 1.018 1.00 0.00 C ATOM 835 O GLY A 57 5.886 3.703 1.666 1.00 0.00 O ATOM 0 H GLY A 57 4.176 2.431 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.850 0.643 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.209 1.098 1.200 1.00 0.00 H new ATOM 839 N LYS A 58 5.793 2.610 -0.298 1.00 0.00 N ATOM 840 CA LYS A 58 6.286 3.740 -1.076 1.00 0.00 C ATOM 841 C LYS A 58 5.346 4.054 -2.236 1.00 0.00 C ATOM 842 O LYS A 58 4.857 3.150 -2.914 1.00 0.00 O ATOM 843 CB LYS A 58 7.690 3.445 -1.609 1.00 0.00 C ATOM 844 CG LYS A 58 8.795 3.744 -0.611 1.00 0.00 C ATOM 845 CD LYS A 58 9.992 2.830 -0.814 1.00 0.00 C ATOM 846 CE LYS A 58 10.701 3.124 -2.127 1.00 0.00 C ATOM 847 NZ LYS A 58 10.152 2.311 -3.248 1.00 0.00 N ATOM 0 H LYS A 58 5.589 1.776 -0.849 1.00 0.00 H new ATOM 0 HA LYS A 58 6.328 4.610 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.747 2.395 -1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.858 4.033 -2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.108 4.783 -0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.413 3.625 0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.690 2.954 0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.664 1.791 -0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.602 4.183 -2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.766 2.920 -2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.888 2.174 -3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.844 1.385 -2.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.340 2.805 -3.670 1.00 0.00 H new ATOM 861 N LEU A 59 5.100 5.340 -2.460 1.00 0.00 N ATOM 862 CA LEU A 59 4.219 5.773 -3.540 1.00 0.00 C ATOM 863 C LEU A 59 4.763 7.028 -4.215 1.00 0.00 C ATOM 864 O LEU A 59 5.067 8.020 -3.553 1.00 0.00 O ATOM 865 CB LEU A 59 2.813 6.040 -3.001 1.00 0.00 C ATOM 866 CG LEU A 59 1.940 6.975 -3.838 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.350 6.233 -5.028 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.835 7.580 -2.984 1.00 0.00 C ATOM 0 H LEU A 59 5.498 6.101 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 59 4.172 4.975 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.296 5.085 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.903 6.460 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 59 2.566 7.784 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.732 6.915 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.156 5.849 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.739 5.403 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.224 8.243 -3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.212 6.783 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.277 8.148 -2.165 1.00 0.00 H new ATOM 880 N ARG A 60 4.883 6.977 -5.538 1.00 0.00 N ATOM 881 CA ARG A 60 5.389 8.109 -6.304 1.00 0.00 C ATOM 882 C ARG A 60 6.617 8.715 -5.631 1.00 0.00 C ATOM 883 O ARG A 60 6.727 9.933 -5.496 1.00 0.00 O ATOM 884 CB ARG A 60 4.302 9.175 -6.459 1.00 0.00 C ATOM 885 CG ARG A 60 2.962 8.616 -6.909 1.00 0.00 C ATOM 886 CD ARG A 60 3.057 7.984 -8.289 1.00 0.00 C ATOM 887 NE ARG A 60 2.837 8.960 -9.353 1.00 0.00 N ATOM 888 CZ ARG A 60 1.638 9.426 -9.687 1.00 0.00 C ATOM 889 NH1 ARG A 60 0.558 9.009 -9.041 1.00 0.00 N ATOM 890 NH2 ARG A 60 1.519 10.312 -10.667 1.00 0.00 N ATOM 0 H ARG A 60 4.636 6.163 -6.101 1.00 0.00 H new ATOM 0 HA ARG A 60 5.677 7.747 -7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.171 9.689 -5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.636 9.921 -7.181 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.617 7.873 -6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.220 9.414 -6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.039 7.528 -8.412 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.322 7.184 -8.373 1.00 0.00 H new ATOM 0 HE ARG A 60 3.648 9.303 -9.868 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.646 8.329 -8.286 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.361 9.368 -9.299 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.348 10.636 -11.165 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.598 10.669 -10.923 1.00 0.00 H new ATOM 904 N GLY A 61 7.540 7.855 -5.210 1.00 0.00 N ATOM 905 CA GLY A 61 8.747 8.323 -4.555 1.00 0.00 C ATOM 906 C GLY A 61 8.534 8.611 -3.082 1.00 0.00 C ATOM 907 O GLY A 61 9.475 8.555 -2.291 1.00 0.00 O ATOM 0 H GLY A 61 7.473 6.842 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.531 7.573 -4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.099 9.227 -5.052 1.00 0.00 H new ATOM 911 N GLN A 62 7.295 8.922 -2.715 1.00 0.00 N ATOM 912 CA GLN A 62 6.964 9.222 -1.327 1.00 0.00 C ATOM 913 C GLN A 62 7.008 7.960 -0.472 1.00 0.00 C ATOM 914 O GLN A 62 7.049 6.844 -0.992 1.00 0.00 O ATOM 915 CB GLN A 62 5.577 9.863 -1.239 1.00 0.00 C ATOM 916 CG GLN A 62 5.469 11.182 -1.987 1.00 0.00 C ATOM 917 CD GLN A 62 6.577 12.151 -1.624 1.00 0.00 C ATOM 918 OE1 GLN A 62 6.557 12.763 -0.556 1.00 0.00 O ATOM 919 NE2 GLN A 62 7.552 12.296 -2.514 1.00 0.00 N ATOM 0 H GLN A 62 6.505 8.973 -3.358 1.00 0.00 H new ATOM 0 HA GLN A 62 7.706 9.923 -0.946 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.838 9.167 -1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.328 10.028 -0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.496 10.990 -3.060 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.504 11.641 -1.769 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.528 11.769 -3.387 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.324 12.935 -2.325 1.00 0.00 H new ATOM 928 N THR A 63 7.001 8.143 0.845 1.00 0.00 N ATOM 929 CA THR A 63 7.042 7.020 1.773 1.00 0.00 C ATOM 930 C THR A 63 6.349 7.365 3.086 1.00 0.00 C ATOM 931 O THR A 63 6.398 8.506 3.544 1.00 0.00 O ATOM 932 CB THR A 63 8.491 6.589 2.070 1.00 0.00 C ATOM 933 OG1 THR A 63 9.214 6.424 0.844 1.00 0.00 O ATOM 934 CG2 THR A 63 8.519 5.289 2.859 1.00 0.00 C ATOM 0 H THR A 63 6.967 9.059 1.293 1.00 0.00 H new ATOM 0 HA THR A 63 6.516 6.195 1.293 1.00 0.00 H new ATOM 0 HB THR A 63 8.963 7.369 2.668 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.134 6.152 1.041 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.553 5.005 3.056 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.993 5.426 3.804 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.031 4.503 2.283 1.00 0.00 H new ATOM 942 N GLY A 64 5.702 6.371 3.688 1.00 0.00 N ATOM 943 CA GLY A 64 5.007 6.591 4.943 1.00 0.00 C ATOM 944 C GLY A 64 4.241 5.367 5.403 1.00 0.00 C ATOM 945 O GLY A 64 4.357 4.294 4.810 1.00 0.00 O ATOM 0 H GLY A 64 5.647 5.418 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.728 6.874 5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.317 7.427 4.831 1.00 0.00 H new ATOM 949 N ILE A 65 3.457 5.526 6.464 1.00 0.00 N ATOM 950 CA ILE A 65 2.670 4.425 7.004 1.00 0.00 C ATOM 951 C ILE A 65 1.206 4.541 6.590 1.00 0.00 C ATOM 952 O ILE A 65 0.709 5.636 6.328 1.00 0.00 O ATOM 953 CB ILE A 65 2.754 4.372 8.541 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.299 5.702 9.144 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.172 4.042 8.982 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.706 5.566 10.529 1.00 0.00 C ATOM 0 H ILE A 65 3.350 6.407 6.967 1.00 0.00 H new ATOM 0 HA ILE A 65 3.090 3.507 6.594 1.00 0.00 H new ATOM 0 HB ILE A 65 2.090 3.586 8.900 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.150 6.382 9.187 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.560 6.157 8.484 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.216 4.008 10.071 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.463 3.073 8.577 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.855 4.808 8.615 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.405 6.548 10.894 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.835 4.912 10.489 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.449 5.140 11.203 1.00 0.00 H new ATOM 968 N PHE A 66 0.521 3.404 6.535 1.00 0.00 N ATOM 969 CA PHE A 66 -0.886 3.377 6.153 1.00 0.00 C ATOM 970 C PHE A 66 -1.525 2.042 6.525 1.00 0.00 C ATOM 971 O PHE A 66 -0.863 1.007 6.597 1.00 0.00 O ATOM 972 CB PHE A 66 -1.035 3.626 4.651 1.00 0.00 C ATOM 973 CG PHE A 66 -0.497 2.509 3.803 1.00 0.00 C ATOM 974 CD1 PHE A 66 0.837 2.488 3.425 1.00 0.00 C ATOM 975 CD2 PHE A 66 -1.324 1.480 3.383 1.00 0.00 C ATOM 976 CE1 PHE A 66 1.334 1.462 2.644 1.00 0.00 C ATOM 977 CE2 PHE A 66 -0.832 0.451 2.602 1.00 0.00 C ATOM 978 CZ PHE A 66 0.499 0.442 2.233 1.00 0.00 C ATOM 0 H PHE A 66 0.917 2.489 6.750 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.399 4.170 6.697 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.090 3.773 4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.519 4.550 4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.495 3.283 3.745 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.365 1.482 3.669 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.375 1.458 2.355 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.488 -0.345 2.281 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.886 -0.362 1.624 1.00 0.00 H new ATOM 988 N PRO A 67 -2.844 2.066 6.767 1.00 0.00 N ATOM 989 CA PRO A 67 -3.603 0.866 7.136 1.00 0.00 C ATOM 990 C PRO A 67 -3.734 -0.115 5.976 1.00 0.00 C ATOM 991 O PRO A 67 -4.240 0.233 4.910 1.00 0.00 O ATOM 992 CB PRO A 67 -4.976 1.420 7.525 1.00 0.00 C ATOM 993 CG PRO A 67 -5.091 2.705 6.780 1.00 0.00 C ATOM 994 CD PRO A 67 -3.697 3.264 6.700 1.00 0.00 C ATOM 0 HA PRO A 67 -3.115 0.303 7.931 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.774 0.730 7.250 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.049 1.578 8.601 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.504 2.543 5.784 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.759 3.396 7.294 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.539 3.818 5.775 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.491 3.950 7.522 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.276 -1.344 6.193 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.344 -2.377 5.166 1.00 0.00 C ATOM 1004 C ALA A 68 -4.786 -2.631 4.739 1.00 0.00 C ATOM 1005 O ALA A 68 -5.037 -3.193 3.674 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.706 -3.663 5.668 1.00 0.00 C ATOM 0 H ALA A 68 -2.854 -1.648 7.070 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.791 -2.026 4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.764 -4.425 4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.661 -3.478 5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.235 -4.009 6.556 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.729 -2.213 5.577 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.146 -2.397 5.286 1.00 0.00 C ATOM 1014 C ASN A 69 -7.583 -1.508 4.125 1.00 0.00 C ATOM 1015 O ASN A 69 -8.664 -1.688 3.565 1.00 0.00 O ATOM 1016 CB ASN A 69 -7.988 -2.086 6.525 1.00 0.00 C ATOM 1017 CG ASN A 69 -8.081 -3.268 7.472 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -8.089 -4.421 7.043 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -8.152 -2.984 8.767 1.00 0.00 N ATOM 0 H ASN A 69 -5.538 -1.745 6.463 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.300 -3.438 5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.555 -1.235 7.051 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.991 -1.792 6.215 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.216 -3.737 9.452 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.142 -2.012 9.077 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.735 -0.550 3.770 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.033 0.369 2.677 1.00 0.00 C ATOM 1028 C TYR A 70 -6.413 -0.119 1.371 1.00 0.00 C ATOM 1029 O TYR A 70 -6.619 0.476 0.313 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.519 1.771 3.007 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.491 2.598 3.817 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -7.922 2.172 5.068 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -7.978 3.806 3.333 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -8.811 2.924 5.811 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.867 4.565 4.070 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.280 4.119 5.308 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.165 4.872 6.046 1.00 0.00 O ATOM 0 H TYR A 70 -5.835 -0.389 4.223 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.115 0.407 2.552 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.582 1.685 3.557 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.296 2.295 2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.556 1.237 5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.656 4.158 2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.137 2.578 6.781 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.236 5.502 3.679 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.396 5.685 5.550 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.653 -1.206 1.454 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.003 -1.776 0.280 1.00 0.00 C ATOM 1049 C VAL A 71 -5.256 -3.276 0.186 1.00 0.00 C ATOM 1050 O VAL A 71 -5.962 -3.852 1.015 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.484 -1.522 0.300 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.192 -0.040 0.478 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.823 -2.340 1.399 1.00 0.00 C ATOM 0 H VAL A 71 -5.472 -1.710 2.322 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.434 -1.283 -0.591 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.068 -1.837 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.114 0.120 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.633 0.519 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.620 0.305 1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.750 -2.149 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.242 -2.058 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.003 -3.400 1.221 1.00 0.00 H new ATOM 1063 N THR A 72 -4.674 -3.907 -0.829 1.00 0.00 N ATOM 1064 CA THR A 72 -4.836 -5.341 -1.033 1.00 0.00 C ATOM 1065 C THR A 72 -3.629 -5.934 -1.750 1.00 0.00 C ATOM 1066 O THR A 72 -2.944 -5.245 -2.506 1.00 0.00 O ATOM 1067 CB THR A 72 -6.106 -5.653 -1.845 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.416 -7.048 -1.754 1.00 0.00 O ATOM 1069 CG2 THR A 72 -5.925 -5.263 -3.304 1.00 0.00 C ATOM 0 H THR A 72 -4.085 -3.447 -1.523 1.00 0.00 H new ATOM 0 HA THR A 72 -4.926 -5.793 -0.045 1.00 0.00 H new ATOM 0 HB THR A 72 -6.928 -5.071 -1.429 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.226 -7.238 -2.272 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.835 -5.493 -3.858 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.719 -4.195 -3.372 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.091 -5.821 -3.729 1.00 0.00 H new ATOM 1077 N MET A 73 -3.374 -7.216 -1.510 1.00 0.00 N ATOM 1078 CA MET A 73 -2.250 -7.902 -2.136 1.00 0.00 C ATOM 1079 C MET A 73 -2.737 -8.907 -3.175 1.00 0.00 C ATOM 1080 O MET A 73 -2.961 -10.076 -2.864 1.00 0.00 O ATOM 1081 CB MET A 73 -1.406 -8.615 -1.077 1.00 0.00 C ATOM 1082 CG MET A 73 -0.887 -7.688 0.010 1.00 0.00 C ATOM 1083 SD MET A 73 -0.438 -8.569 1.518 1.00 0.00 S ATOM 1084 CE MET A 73 0.813 -9.690 0.896 1.00 0.00 C ATOM 0 H MET A 73 -3.931 -7.801 -0.886 1.00 0.00 H new ATOM 0 HA MET A 73 -1.635 -7.155 -2.638 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.003 -9.402 -0.617 1.00 0.00 H new ATOM 0 HB3 MET A 73 -0.560 -9.100 -1.564 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.017 -7.148 -0.363 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.649 -6.944 0.242 1.00 0.00 H new ATOM 0 HE1 MET A 73 1.592 -9.819 1.647 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.359 -10.656 0.675 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.250 -9.279 -0.014 1.00 0.00 H new ATOM 1094 N ASN A 74 -2.898 -8.443 -4.410 1.00 0.00 N ATOM 1095 CA ASN A 74 -3.360 -9.302 -5.495 1.00 0.00 C ATOM 1096 C ASN A 74 -2.466 -9.155 -6.722 1.00 0.00 C ATOM 1097 O ASN A 74 -1.928 -8.080 -6.986 1.00 0.00 O ATOM 1098 CB ASN A 74 -4.807 -8.964 -5.860 1.00 0.00 C ATOM 1099 CG ASN A 74 -5.337 -9.833 -6.984 1.00 0.00 C ATOM 1100 OD1 ASN A 74 -5.496 -9.375 -8.116 1.00 0.00 O ATOM 1101 ND2 ASN A 74 -5.613 -11.095 -6.677 1.00 0.00 N ATOM 0 H ASN A 74 -2.716 -7.478 -4.685 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.311 -10.336 -5.153 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.439 -9.087 -4.980 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.870 -7.916 -6.154 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.972 -11.727 -7.393 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.466 -11.432 -5.726 1.00 0.00 H new ATOM 1108 N SER A 75 -2.313 -10.243 -7.470 1.00 0.00 N ATOM 1109 CA SER A 75 -1.482 -10.237 -8.669 1.00 0.00 C ATOM 1110 C SER A 75 -2.340 -10.356 -9.925 1.00 0.00 C ATOM 1111 O SER A 75 -3.436 -10.914 -9.891 1.00 0.00 O ATOM 1112 CB SER A 75 -0.469 -11.382 -8.619 1.00 0.00 C ATOM 1113 OG SER A 75 0.667 -11.024 -7.852 1.00 0.00 O ATOM 0 H SER A 75 -2.754 -11.140 -7.267 1.00 0.00 H new ATOM 0 HA SER A 75 -0.946 -9.289 -8.705 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.937 -12.268 -8.190 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.161 -11.644 -9.631 1.00 0.00 H new ATOM 0 HG SER A 75 1.299 -11.773 -7.834 1.00 0.00 H new ATOM 1119 N GLY A 76 -1.832 -9.826 -11.033 1.00 0.00 N ATOM 1120 CA GLY A 76 -2.563 -9.882 -12.285 1.00 0.00 C ATOM 1121 C GLY A 76 -3.171 -8.546 -12.662 1.00 0.00 C ATOM 1122 O GLY A 76 -2.745 -7.491 -12.192 1.00 0.00 O ATOM 0 H GLY A 76 -0.927 -9.359 -11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.892 -10.209 -13.079 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.354 -10.628 -12.207 1.00 0.00 H new ATOM 1126 N PRO A 77 -4.192 -8.580 -13.532 1.00 0.00 N ATOM 1127 CA PRO A 77 -4.880 -7.370 -13.992 1.00 0.00 C ATOM 1128 C PRO A 77 -5.713 -6.723 -12.891 1.00 0.00 C ATOM 1129 O PRO A 77 -6.491 -7.393 -12.213 1.00 0.00 O ATOM 1130 CB PRO A 77 -5.785 -7.883 -15.115 1.00 0.00 C ATOM 1131 CG PRO A 77 -6.015 -9.319 -14.792 1.00 0.00 C ATOM 1132 CD PRO A 77 -4.752 -9.802 -14.134 1.00 0.00 C ATOM 0 HA PRO A 77 -4.179 -6.598 -14.309 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.724 -7.330 -15.150 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.310 -7.768 -16.089 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.871 -9.437 -14.128 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.229 -9.893 -15.694 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.957 -10.563 -13.381 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.066 -10.245 -14.857 1.00 0.00 H new ATOM 1140 N SER A 78 -5.544 -5.416 -12.719 1.00 0.00 N ATOM 1141 CA SER A 78 -6.278 -4.678 -11.697 1.00 0.00 C ATOM 1142 C SER A 78 -7.565 -4.092 -12.269 1.00 0.00 C ATOM 1143 O SER A 78 -7.630 -3.740 -13.447 1.00 0.00 O ATOM 1144 CB SER A 78 -5.407 -3.560 -11.121 1.00 0.00 C ATOM 1145 OG SER A 78 -4.473 -4.072 -10.187 1.00 0.00 O ATOM 0 H SER A 78 -4.905 -4.846 -13.274 1.00 0.00 H new ATOM 0 HA SER A 78 -6.539 -5.373 -10.899 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.878 -3.054 -11.929 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.039 -2.815 -10.637 1.00 0.00 H new ATOM 0 HG SER A 78 -3.927 -3.338 -9.835 1.00 0.00 H new ATOM 1151 N SER A 79 -8.588 -3.991 -11.426 1.00 0.00 N ATOM 1152 CA SER A 79 -9.875 -3.451 -11.848 1.00 0.00 C ATOM 1153 C SER A 79 -9.755 -1.971 -12.200 1.00 0.00 C ATOM 1154 O SER A 79 -8.926 -1.254 -11.641 1.00 0.00 O ATOM 1155 CB SER A 79 -10.918 -3.641 -10.744 1.00 0.00 C ATOM 1156 OG SER A 79 -12.232 -3.496 -11.254 1.00 0.00 O ATOM 0 H SER A 79 -8.550 -4.276 -10.447 1.00 0.00 H new ATOM 0 HA SER A 79 -10.194 -3.993 -12.738 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.804 -4.629 -10.298 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.750 -2.912 -9.951 1.00 0.00 H new ATOM 0 HG SER A 79 -12.880 -3.624 -10.530 1.00 0.00 H new ATOM 1162 N GLY A 80 -10.590 -1.521 -13.132 1.00 0.00 N ATOM 1163 CA GLY A 80 -10.562 -0.130 -13.543 1.00 0.00 C ATOM 1164 C GLY A 80 -9.934 0.058 -14.910 1.00 0.00 C ATOM 1165 O GLY A 80 -8.742 -0.188 -15.092 1.00 0.00 O ATOM 0 H GLY A 80 -11.285 -2.095 -13.609 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.579 0.262 -13.557 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.006 0.452 -12.808 1.00 0.00 H new TER 1169 GLY A 80