USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 492 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 34 TYR OH : rot 180:sc= 0.0576 USER MOD Set 1.2: A 72 MET CE :methyl -179:sc= -0.181 (180deg=-0.163) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.0108 X(o=-1.1,f=-0.69) USER MOD Set 2.2: A 56 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.69) USER MOD Set 3.1: A 19 GLN : amide:sc= -0.218 X(o=-0.11,f=0.17) USER MOD Set 3.2: A 20 GLN : amide:sc= 0.11 X(o=-0.11,f=-0.082) USER MOD Single : A 14 TYR OH : rot 165:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -39:sc= 0.503 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 26 MET CE :methyl -163:sc= -0.229 (180deg=-0.936) USER MOD Single : A 30 MET CE :methyl -135:sc= -0.855 (180deg=-2.57!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -4.39! K(o=-4.4!,f=-0.79) USER MOD Single : A 48 SER OG : rot 170:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.558 K(o=-0.56,f=-1.8) USER MOD Single : A 61 SER OG : rot 136:sc= 0.142 USER MOD Single : A 62 THR OG1 : rot -156:sc= 0.465 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00326 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.636 USER MOD Single : A 69 HIS : no HD1:sc= -0.658 X(o=-0.66,f=-0.68) USER MOD Single : A 71 HIS : no HD1:sc= -0.48 X(o=-0.48,f=-0.0031) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 14 -12.568 5.630 -5.672 1.00 0.00 N ATOM 2 CA TYR A 14 -11.523 5.923 -4.663 1.00 0.00 C ATOM 3 C TYR A 14 -10.223 5.164 -5.002 1.00 0.00 C ATOM 4 O TYR A 14 -9.123 5.695 -4.826 1.00 0.00 O ATOM 5 CB TYR A 14 -12.015 5.545 -3.237 1.00 0.00 C ATOM 6 CG TYR A 14 -10.971 5.748 -2.117 1.00 0.00 C ATOM 7 CD1 TYR A 14 -10.606 7.032 -1.698 1.00 0.00 C ATOM 8 CD2 TYR A 14 -10.339 4.659 -1.493 1.00 0.00 C ATOM 9 CE1 TYR A 14 -9.661 7.221 -0.702 1.00 0.00 C ATOM 10 CE2 TYR A 14 -9.394 4.845 -0.498 1.00 0.00 C ATOM 11 CZ TYR A 14 -9.059 6.126 -0.105 1.00 0.00 C ATOM 12 OH TYR A 14 -8.116 6.316 0.888 1.00 0.00 O ATOM 0 HA TYR A 14 -11.318 6.993 -4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.898 6.139 -3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.325 4.500 -3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.069 7.892 -2.159 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.596 3.655 -1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.394 8.221 -0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.922 3.993 -0.032 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.967 5.472 1.363 1.00 0.00 H new ATOM 22 N GLY A 15 -10.382 3.924 -5.506 1.00 0.00 N ATOM 23 CA GLY A 15 -9.249 3.094 -5.920 1.00 0.00 C ATOM 24 C GLY A 15 -8.520 3.646 -7.131 1.00 0.00 C ATOM 25 O GLY A 15 -7.316 3.420 -7.293 1.00 0.00 O ATOM 0 H GLY A 15 -11.291 3.480 -5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.548 3.006 -5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.605 2.089 -6.144 1.00 0.00 H new ATOM 29 N GLU A 16 -9.261 4.346 -8.001 1.00 0.00 N ATOM 30 CA GLU A 16 -8.663 5.087 -9.117 1.00 0.00 C ATOM 31 C GLU A 16 -7.939 6.332 -8.579 1.00 0.00 C ATOM 32 O GLU A 16 -6.787 6.581 -8.922 1.00 0.00 O ATOM 33 CB GLU A 16 -9.729 5.522 -10.146 1.00 0.00 C ATOM 34 CG GLU A 16 -9.153 5.967 -11.508 1.00 0.00 C ATOM 35 CD GLU A 16 -8.532 4.812 -12.310 1.00 0.00 C ATOM 36 OE1 GLU A 16 -9.294 4.007 -12.888 1.00 0.00 O ATOM 37 OE2 GLU A 16 -7.295 4.708 -12.385 1.00 0.00 O ATOM 0 H GLU A 16 -10.278 4.414 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.956 4.426 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.419 4.694 -10.309 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.310 6.342 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.946 6.425 -12.098 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.396 6.734 -11.342 1.00 0.00 H new ATOM 44 N TYR A 17 -8.641 7.080 -7.692 1.00 0.00 N ATOM 45 CA TYR A 17 -8.196 8.390 -7.171 1.00 0.00 C ATOM 46 C TYR A 17 -6.829 8.281 -6.489 1.00 0.00 C ATOM 47 O TYR A 17 -5.924 9.068 -6.787 1.00 0.00 O ATOM 48 CB TYR A 17 -9.253 8.962 -6.176 1.00 0.00 C ATOM 49 CG TYR A 17 -8.749 10.121 -5.287 1.00 0.00 C ATOM 50 CD1 TYR A 17 -8.538 11.399 -5.816 1.00 0.00 C ATOM 51 CD2 TYR A 17 -8.436 9.920 -3.929 1.00 0.00 C ATOM 52 CE1 TYR A 17 -8.045 12.429 -5.032 1.00 0.00 C ATOM 53 CE2 TYR A 17 -7.935 10.947 -3.148 1.00 0.00 C ATOM 54 CZ TYR A 17 -7.741 12.197 -3.702 1.00 0.00 C ATOM 55 OH TYR A 17 -7.223 13.219 -2.929 1.00 0.00 O ATOM 0 H TYR A 17 -9.542 6.784 -7.316 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.097 9.072 -8.015 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.116 9.308 -6.745 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.599 8.154 -5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.764 11.586 -6.855 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.590 8.946 -3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.898 13.411 -5.458 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.697 10.771 -2.109 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.065 12.893 -2.018 1.00 0.00 H new ATOM 65 N VAL A 18 -6.688 7.281 -5.593 1.00 0.00 N ATOM 66 CA VAL A 18 -5.428 7.025 -4.880 1.00 0.00 C ATOM 67 C VAL A 18 -4.292 6.759 -5.884 1.00 0.00 C ATOM 68 O VAL A 18 -3.234 7.359 -5.776 1.00 0.00 O ATOM 69 CB VAL A 18 -5.537 5.852 -3.830 1.00 0.00 C ATOM 70 CG1 VAL A 18 -6.475 6.237 -2.660 1.00 0.00 C ATOM 71 CG2 VAL A 18 -5.988 4.528 -4.487 1.00 0.00 C ATOM 0 H VAL A 18 -7.440 6.636 -5.348 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.200 7.924 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.538 5.689 -3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.531 5.410 -1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.084 7.121 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.471 6.451 -3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.050 3.748 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.967 4.665 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.266 4.236 -5.250 1.00 0.00 H new ATOM 81 N GLN A 19 -4.584 5.955 -6.922 1.00 0.00 N ATOM 82 CA GLN A 19 -3.612 5.594 -7.968 1.00 0.00 C ATOM 83 C GLN A 19 -3.133 6.845 -8.742 1.00 0.00 C ATOM 84 O GLN A 19 -1.978 6.907 -9.178 1.00 0.00 O ATOM 85 CB GLN A 19 -4.243 4.543 -8.923 1.00 0.00 C ATOM 86 CG GLN A 19 -3.360 4.112 -10.105 1.00 0.00 C ATOM 87 CD GLN A 19 -3.969 2.980 -10.933 1.00 0.00 C ATOM 88 OE1 GLN A 19 -3.713 1.804 -10.685 1.00 0.00 O ATOM 89 NE2 GLN A 19 -4.787 3.323 -11.908 1.00 0.00 N ATOM 0 H GLN A 19 -5.504 5.536 -7.059 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.732 5.155 -7.497 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.500 3.657 -8.342 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.175 4.948 -9.317 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.185 4.972 -10.751 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.388 3.794 -9.727 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.980 4.308 -12.089 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.227 2.603 -12.481 1.00 0.00 H new ATOM 98 N GLN A 20 -4.029 7.846 -8.867 1.00 0.00 N ATOM 99 CA GLN A 20 -3.748 9.098 -9.607 1.00 0.00 C ATOM 100 C GLN A 20 -2.965 10.106 -8.738 1.00 0.00 C ATOM 101 O GLN A 20 -2.148 10.871 -9.259 1.00 0.00 O ATOM 102 CB GLN A 20 -5.066 9.745 -10.131 1.00 0.00 C ATOM 103 CG GLN A 20 -5.942 8.789 -10.964 1.00 0.00 C ATOM 104 CD GLN A 20 -5.182 8.109 -12.106 1.00 0.00 C ATOM 105 OE1 GLN A 20 -4.350 8.723 -12.779 1.00 0.00 O ATOM 106 NE2 GLN A 20 -5.401 6.813 -12.276 1.00 0.00 N ATOM 0 H GLN A 20 -4.964 7.812 -8.461 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.126 8.836 -10.463 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.645 10.105 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.816 10.615 -10.738 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.358 8.024 -10.308 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.783 9.346 -11.378 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.096 6.334 -11.703 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.875 6.295 -12.979 1.00 0.00 H new ATOM 115 N THR A 21 -3.209 10.097 -7.410 1.00 0.00 N ATOM 116 CA THR A 21 -2.597 11.068 -6.471 1.00 0.00 C ATOM 117 C THR A 21 -1.514 10.410 -5.582 1.00 0.00 C ATOM 118 O THR A 21 -1.004 11.048 -4.651 1.00 0.00 O ATOM 119 CB THR A 21 -3.697 11.768 -5.591 1.00 0.00 C ATOM 120 OG1 THR A 21 -3.140 12.868 -4.842 1.00 0.00 O ATOM 121 CG2 THR A 21 -4.381 10.798 -4.614 1.00 0.00 C ATOM 0 H THR A 21 -3.829 9.424 -6.960 1.00 0.00 H new ATOM 0 HA THR A 21 -2.102 11.830 -7.072 1.00 0.00 H new ATOM 0 HB THR A 21 -4.449 12.136 -6.290 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.250 12.623 -4.514 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.130 11.335 -4.033 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.862 9.996 -5.174 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.636 10.374 -3.941 1.00 0.00 H new ATOM 129 N LEU A 22 -1.154 9.146 -5.881 1.00 0.00 N ATOM 130 CA LEU A 22 -0.102 8.418 -5.137 1.00 0.00 C ATOM 131 C LEU A 22 1.267 9.086 -5.420 1.00 0.00 C ATOM 132 O LEU A 22 1.709 9.138 -6.575 1.00 0.00 O ATOM 133 CB LEU A 22 -0.077 6.883 -5.513 1.00 0.00 C ATOM 134 CG LEU A 22 -0.142 5.856 -4.321 1.00 0.00 C ATOM 135 CD1 LEU A 22 0.799 6.242 -3.175 1.00 0.00 C ATOM 136 CD2 LEU A 22 -1.577 5.649 -3.808 1.00 0.00 C ATOM 0 H LEU A 22 -1.577 8.605 -6.635 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.320 8.474 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.916 6.683 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.833 6.687 -6.080 1.00 0.00 H new ATOM 0 HG LEU A 22 0.202 4.903 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.720 5.505 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.825 6.272 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.522 7.224 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.570 4.933 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.979 6.600 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.201 5.268 -4.616 1.00 0.00 H new ATOM 148 N GLN A 23 1.904 9.614 -4.362 1.00 0.00 N ATOM 149 CA GLN A 23 3.199 10.308 -4.458 1.00 0.00 C ATOM 150 C GLN A 23 4.342 9.262 -4.372 1.00 0.00 C ATOM 151 O GLN A 23 4.303 8.393 -3.491 1.00 0.00 O ATOM 152 CB GLN A 23 3.344 11.346 -3.299 1.00 0.00 C ATOM 153 CG GLN A 23 2.152 12.309 -3.095 1.00 0.00 C ATOM 154 CD GLN A 23 1.953 13.305 -4.235 1.00 0.00 C ATOM 155 OE1 GLN A 23 1.202 13.058 -5.179 1.00 0.00 O ATOM 156 NE2 GLN A 23 2.649 14.434 -4.163 1.00 0.00 N ATOM 0 H GLN A 23 1.534 9.571 -3.412 1.00 0.00 H new ATOM 0 HA GLN A 23 3.254 10.838 -5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.508 10.801 -2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.239 11.941 -3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.241 11.722 -2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.299 12.861 -2.166 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.262 14.605 -3.366 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.571 15.130 -4.905 1.00 0.00 H new ATOM 165 N PRO A 24 5.375 9.327 -5.276 1.00 0.00 N ATOM 166 CA PRO A 24 6.478 8.334 -5.312 1.00 0.00 C ATOM 167 C PRO A 24 7.434 8.475 -4.102 1.00 0.00 C ATOM 168 O PRO A 24 8.407 9.237 -4.139 1.00 0.00 O ATOM 169 CB PRO A 24 7.173 8.621 -6.668 1.00 0.00 C ATOM 170 CG PRO A 24 6.906 10.072 -6.933 1.00 0.00 C ATOM 171 CD PRO A 24 5.549 10.368 -6.320 1.00 0.00 C ATOM 0 HA PRO A 24 6.127 7.305 -5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.243 8.418 -6.615 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.768 7.993 -7.461 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.680 10.698 -6.489 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.904 10.279 -8.003 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.518 11.369 -5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.757 10.317 -7.067 1.00 0.00 H new ATOM 179 N GLY A 25 7.087 7.793 -2.997 1.00 0.00 N ATOM 180 CA GLY A 25 7.916 7.764 -1.790 1.00 0.00 C ATOM 181 C GLY A 25 7.168 8.316 -0.596 1.00 0.00 C ATOM 182 O GLY A 25 7.780 8.768 0.381 1.00 0.00 O ATOM 0 H GLY A 25 6.227 7.250 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.228 6.740 -1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.823 8.346 -1.955 1.00 0.00 H new ATOM 186 N MET A 26 5.823 8.256 -0.675 1.00 0.00 N ATOM 187 CA MET A 26 4.931 8.763 0.379 1.00 0.00 C ATOM 188 C MET A 26 4.599 7.648 1.367 1.00 0.00 C ATOM 189 O MET A 26 4.822 6.469 1.090 1.00 0.00 O ATOM 190 CB MET A 26 3.617 9.341 -0.212 1.00 0.00 C ATOM 191 CG MET A 26 2.588 8.308 -0.704 1.00 0.00 C ATOM 192 SD MET A 26 1.129 9.075 -1.457 1.00 0.00 S ATOM 193 CE MET A 26 0.630 10.268 -0.216 1.00 0.00 C ATOM 0 H MET A 26 5.329 7.855 -1.472 1.00 0.00 H new ATOM 0 HA MET A 26 5.455 9.568 0.894 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.143 9.963 0.547 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.873 9.995 -1.046 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.062 7.648 -1.430 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.274 7.686 0.135 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.396 10.583 -0.406 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.693 9.813 0.772 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.289 11.135 -0.259 1.00 0.00 H new ATOM 203 N ARG A 27 3.999 8.044 2.487 1.00 0.00 N ATOM 204 CA ARG A 27 3.614 7.135 3.564 1.00 0.00 C ATOM 205 C ARG A 27 2.184 6.640 3.306 1.00 0.00 C ATOM 206 O ARG A 27 1.331 7.364 2.768 1.00 0.00 O ATOM 207 CB ARG A 27 3.779 7.822 4.960 1.00 0.00 C ATOM 208 CG ARG A 27 2.873 9.057 5.215 1.00 0.00 C ATOM 209 CD ARG A 27 1.565 8.718 5.961 1.00 0.00 C ATOM 210 NE ARG A 27 1.772 8.476 7.404 1.00 0.00 N ATOM 211 CZ ARG A 27 1.840 9.436 8.353 1.00 0.00 C ATOM 212 NH1 ARG A 27 1.791 10.724 8.033 1.00 0.00 N ATOM 213 NH2 ARG A 27 1.985 9.091 9.623 1.00 0.00 N ATOM 0 H ARG A 27 3.763 9.018 2.675 1.00 0.00 H new ATOM 0 HA ARG A 27 4.274 6.268 3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.579 7.082 5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.819 8.128 5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.431 9.794 5.793 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.627 9.521 4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.857 9.537 5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.114 7.834 5.510 1.00 0.00 H new ATOM 0 HE ARG A 27 1.871 7.507 7.708 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.700 11.004 7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.844 11.433 8.764 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.045 8.106 9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.037 9.810 10.344 1.00 0.00 H new ATOM 227 N VAL A 28 1.951 5.404 3.719 1.00 0.00 N ATOM 228 CA VAL A 28 0.750 4.628 3.406 1.00 0.00 C ATOM 229 C VAL A 28 0.192 4.071 4.736 1.00 0.00 C ATOM 230 O VAL A 28 0.888 4.113 5.751 1.00 0.00 O ATOM 231 CB VAL A 28 1.128 3.473 2.375 1.00 0.00 C ATOM 232 CG1 VAL A 28 0.017 2.411 2.209 1.00 0.00 C ATOM 233 CG2 VAL A 28 1.516 4.077 0.995 1.00 0.00 C ATOM 0 H VAL A 28 2.613 4.891 4.302 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.019 5.240 2.935 1.00 0.00 H new ATOM 0 HB VAL A 28 1.988 2.954 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.340 1.655 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.182 1.939 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.892 2.889 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.771 3.273 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.675 4.644 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.375 4.738 1.115 1.00 0.00 H new ATOM 243 N ARG A 29 -1.058 3.596 4.735 1.00 0.00 N ATOM 244 CA ARG A 29 -1.686 2.958 5.893 1.00 0.00 C ATOM 245 C ARG A 29 -2.696 1.918 5.364 1.00 0.00 C ATOM 246 O ARG A 29 -3.459 2.201 4.441 1.00 0.00 O ATOM 247 CB ARG A 29 -2.351 4.045 6.794 1.00 0.00 C ATOM 248 CG ARG A 29 -2.576 3.679 8.284 1.00 0.00 C ATOM 249 CD ARG A 29 -3.727 2.695 8.523 1.00 0.00 C ATOM 250 NE ARG A 29 -5.041 3.244 8.149 1.00 0.00 N ATOM 251 CZ ARG A 29 -6.222 2.700 8.489 1.00 0.00 C ATOM 252 NH1 ARG A 29 -6.283 1.555 9.160 1.00 0.00 N ATOM 253 NH2 ARG A 29 -7.342 3.296 8.130 1.00 0.00 N ATOM 0 H ARG A 29 -1.668 3.645 3.919 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.955 2.444 6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.734 4.942 6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.316 4.303 6.358 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.657 3.250 8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.772 4.593 8.845 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.544 1.785 7.952 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.744 2.413 9.576 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.056 4.098 7.592 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.424 1.073 9.426 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.189 1.158 9.409 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.309 4.165 7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.241 2.888 8.385 1.00 0.00 H new ATOM 267 N MET A 30 -2.655 0.711 5.934 1.00 0.00 N ATOM 268 CA MET A 30 -3.517 -0.410 5.536 1.00 0.00 C ATOM 269 C MET A 30 -4.891 -0.286 6.227 1.00 0.00 C ATOM 270 O MET A 30 -4.967 -0.387 7.456 1.00 0.00 O ATOM 271 CB MET A 30 -2.822 -1.753 5.931 1.00 0.00 C ATOM 272 CG MET A 30 -3.312 -3.024 5.205 1.00 0.00 C ATOM 273 SD MET A 30 -2.592 -3.270 3.557 1.00 0.00 S ATOM 274 CE MET A 30 -3.542 -2.173 2.501 1.00 0.00 C ATOM 0 H MET A 30 -2.015 0.480 6.694 1.00 0.00 H new ATOM 0 HA MET A 30 -3.673 -0.392 4.457 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.752 -1.649 5.751 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.952 -1.901 7.003 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.081 -3.892 5.822 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.397 -2.979 5.111 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.817 -2.697 1.586 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.445 -1.857 3.023 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.942 -1.298 2.252 1.00 0.00 H new ATOM 284 N LEU A 31 -5.965 -0.029 5.441 1.00 0.00 N ATOM 285 CA LEU A 31 -7.356 0.049 5.972 1.00 0.00 C ATOM 286 C LEU A 31 -8.010 -1.351 6.034 1.00 0.00 C ATOM 287 O LEU A 31 -9.137 -1.502 6.522 1.00 0.00 O ATOM 288 CB LEU A 31 -8.211 1.083 5.144 1.00 0.00 C ATOM 289 CG LEU A 31 -8.404 0.838 3.596 1.00 0.00 C ATOM 290 CD1 LEU A 31 -9.397 -0.302 3.263 1.00 0.00 C ATOM 291 CD2 LEU A 31 -8.815 2.130 2.852 1.00 0.00 C ATOM 0 H LEU A 31 -5.898 0.129 4.435 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.317 0.417 6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.201 1.132 5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.755 2.065 5.269 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.424 0.521 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.477 -0.410 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.038 -1.236 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.377 -0.064 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.937 1.915 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.757 2.500 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.042 2.887 2.983 1.00 0.00 H new ATOM 303 N ASP A 32 -7.271 -2.369 5.559 1.00 0.00 N ATOM 304 CA ASP A 32 -7.752 -3.759 5.442 1.00 0.00 C ATOM 305 C ASP A 32 -6.796 -4.694 6.191 1.00 0.00 C ATOM 306 O ASP A 32 -5.675 -4.306 6.522 1.00 0.00 O ATOM 307 CB ASP A 32 -7.844 -4.144 3.941 1.00 0.00 C ATOM 308 CG ASP A 32 -8.373 -5.570 3.695 1.00 0.00 C ATOM 309 OD1 ASP A 32 -9.569 -5.825 3.948 1.00 0.00 O ATOM 310 OD2 ASP A 32 -7.593 -6.448 3.268 1.00 0.00 O ATOM 0 H ASP A 32 -6.309 -2.249 5.241 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.743 -3.852 5.886 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.495 -3.433 3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.856 -4.051 3.491 1.00 0.00 H new ATOM 315 N ASP A 33 -7.247 -5.916 6.490 1.00 0.00 N ATOM 316 CA ASP A 33 -6.428 -6.912 7.196 1.00 0.00 C ATOM 317 C ASP A 33 -5.830 -7.880 6.164 1.00 0.00 C ATOM 318 O ASP A 33 -6.557 -8.596 5.464 1.00 0.00 O ATOM 319 CB ASP A 33 -7.262 -7.657 8.274 1.00 0.00 C ATOM 320 CG ASP A 33 -6.420 -8.622 9.137 1.00 0.00 C ATOM 321 OD1 ASP A 33 -5.530 -8.140 9.887 1.00 0.00 O ATOM 322 OD2 ASP A 33 -6.638 -9.861 9.074 1.00 0.00 O ATOM 0 H ASP A 33 -8.183 -6.243 6.252 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.615 -6.413 7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.742 -6.924 8.923 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.058 -8.218 7.784 1.00 0.00 H new ATOM 327 N TYR A 34 -4.496 -7.888 6.082 1.00 0.00 N ATOM 328 CA TYR A 34 -3.722 -8.671 5.096 1.00 0.00 C ATOM 329 C TYR A 34 -3.033 -9.889 5.734 1.00 0.00 C ATOM 330 O TYR A 34 -3.050 -10.071 6.957 1.00 0.00 O ATOM 331 CB TYR A 34 -2.696 -7.749 4.351 1.00 0.00 C ATOM 332 CG TYR A 34 -3.190 -7.310 2.969 1.00 0.00 C ATOM 333 CD1 TYR A 34 -4.067 -6.234 2.820 1.00 0.00 C ATOM 334 CD2 TYR A 34 -2.811 -8.008 1.816 1.00 0.00 C ATOM 335 CE1 TYR A 34 -4.541 -5.866 1.576 1.00 0.00 C ATOM 336 CE2 TYR A 34 -3.290 -7.649 0.573 1.00 0.00 C ATOM 337 CZ TYR A 34 -4.153 -6.579 0.457 1.00 0.00 C ATOM 338 OH TYR A 34 -4.638 -6.223 -0.785 1.00 0.00 O ATOM 0 H TYR A 34 -3.906 -7.341 6.709 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.423 -9.066 4.361 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.499 -6.866 4.959 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.750 -8.279 4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.380 -5.680 3.692 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.131 -8.843 1.901 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.212 -5.025 1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.991 -8.203 -0.305 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.268 -6.823 -1.465 1.00 0.00 H new ATOM 348 N GLU A 35 -2.438 -10.705 4.845 1.00 0.00 N ATOM 349 CA GLU A 35 -1.789 -12.001 5.156 1.00 0.00 C ATOM 350 C GLU A 35 -0.756 -11.885 6.306 1.00 0.00 C ATOM 351 O GLU A 35 -0.705 -12.731 7.205 1.00 0.00 O ATOM 352 CB GLU A 35 -1.071 -12.528 3.873 1.00 0.00 C ATOM 353 CG GLU A 35 -1.882 -12.394 2.563 1.00 0.00 C ATOM 354 CD GLU A 35 -3.220 -13.144 2.595 1.00 0.00 C ATOM 355 OE1 GLU A 35 -3.210 -14.395 2.602 1.00 0.00 O ATOM 356 OE2 GLU A 35 -4.286 -12.491 2.626 1.00 0.00 O ATOM 0 H GLU A 35 -2.392 -10.475 3.852 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.566 -12.692 5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.130 -11.990 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.821 -13.579 4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.070 -11.338 2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.283 -12.770 1.734 1.00 0.00 H new ATOM 363 N GLU A 36 0.074 -10.833 6.233 1.00 0.00 N ATOM 364 CA GLU A 36 1.170 -10.573 7.199 1.00 0.00 C ATOM 365 C GLU A 36 1.180 -9.095 7.657 1.00 0.00 C ATOM 366 O GLU A 36 2.077 -8.673 8.399 1.00 0.00 O ATOM 367 CB GLU A 36 2.524 -10.975 6.551 1.00 0.00 C ATOM 368 CG GLU A 36 2.764 -10.360 5.156 1.00 0.00 C ATOM 369 CD GLU A 36 4.104 -10.760 4.522 1.00 0.00 C ATOM 370 OE1 GLU A 36 4.398 -11.969 4.442 1.00 0.00 O ATOM 371 OE2 GLU A 36 4.859 -9.876 4.074 1.00 0.00 O ATOM 0 H GLU A 36 0.009 -10.129 5.498 1.00 0.00 H new ATOM 0 HA GLU A 36 1.009 -11.176 8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.335 -10.673 7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.567 -12.061 6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.954 -10.663 4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.721 -9.274 5.236 1.00 0.00 H new ATOM 378 N ILE A 37 0.182 -8.311 7.198 1.00 0.00 N ATOM 379 CA ILE A 37 -0.016 -6.905 7.604 1.00 0.00 C ATOM 380 C ILE A 37 -1.386 -6.797 8.291 1.00 0.00 C ATOM 381 O ILE A 37 -2.346 -7.403 7.823 1.00 0.00 O ATOM 382 CB ILE A 37 0.041 -5.888 6.387 1.00 0.00 C ATOM 383 CG1 ILE A 37 1.317 -6.109 5.497 1.00 0.00 C ATOM 384 CG2 ILE A 37 -0.047 -4.418 6.885 1.00 0.00 C ATOM 385 CD1 ILE A 37 1.172 -7.169 4.420 1.00 0.00 C ATOM 0 H ILE A 37 -0.515 -8.640 6.529 1.00 0.00 H new ATOM 0 HA ILE A 37 0.799 -6.633 8.275 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.827 -6.086 5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.579 -5.163 5.022 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.150 -6.382 6.144 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.006 -3.742 6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.985 -4.271 7.420 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.788 -4.210 7.554 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.104 -7.248 3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.944 -8.129 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.364 -6.892 3.743 1.00 0.00 H new ATOM 397 N SER A 38 -1.480 -6.060 9.402 1.00 0.00 N ATOM 398 CA SER A 38 -2.762 -5.830 10.097 1.00 0.00 C ATOM 399 C SER A 38 -3.327 -4.452 9.712 1.00 0.00 C ATOM 400 O SER A 38 -2.575 -3.549 9.304 1.00 0.00 O ATOM 401 CB SER A 38 -2.545 -5.948 11.623 1.00 0.00 C ATOM 402 OG SER A 38 -2.010 -7.219 11.963 1.00 0.00 O ATOM 0 H SER A 38 -0.681 -5.607 9.846 1.00 0.00 H new ATOM 0 HA SER A 38 -3.490 -6.583 9.795 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.868 -5.163 11.960 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.492 -5.797 12.142 1.00 0.00 H new ATOM 0 HG SER A 38 -1.880 -7.270 12.933 1.00 0.00 H new ATOM 408 N ALA A 39 -4.663 -4.305 9.821 1.00 0.00 N ATOM 409 CA ALA A 39 -5.340 -3.028 9.566 1.00 0.00 C ATOM 410 C ALA A 39 -4.937 -2.012 10.650 1.00 0.00 C ATOM 411 O ALA A 39 -5.264 -2.196 11.831 1.00 0.00 O ATOM 412 CB ALA A 39 -6.863 -3.244 9.538 1.00 0.00 C ATOM 0 H ALA A 39 -5.293 -5.062 10.086 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.039 -2.633 8.596 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.362 -2.294 9.348 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.116 -3.951 8.747 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.192 -3.641 10.498 1.00 0.00 H new ATOM 418 N GLY A 40 -4.219 -0.953 10.233 1.00 0.00 N ATOM 419 CA GLY A 40 -3.665 0.050 11.152 1.00 0.00 C ATOM 420 C GLY A 40 -2.189 0.339 10.878 1.00 0.00 C ATOM 421 O GLY A 40 -1.701 1.445 11.156 1.00 0.00 O ATOM 0 H GLY A 40 -4.009 -0.772 9.252 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.236 0.974 11.064 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.780 -0.299 12.178 1.00 0.00 H new ATOM 425 N ASP A 41 -1.481 -0.653 10.303 1.00 0.00 N ATOM 426 CA ASP A 41 -0.038 -0.540 9.980 1.00 0.00 C ATOM 427 C ASP A 41 0.230 0.433 8.830 1.00 0.00 C ATOM 428 O ASP A 41 -0.648 0.691 8.012 1.00 0.00 O ATOM 429 CB ASP A 41 0.562 -1.923 9.638 1.00 0.00 C ATOM 430 CG ASP A 41 0.725 -2.823 10.869 1.00 0.00 C ATOM 431 OD1 ASP A 41 1.615 -2.539 11.701 1.00 0.00 O ATOM 432 OD2 ASP A 41 0.002 -3.828 11.006 1.00 0.00 O ATOM 0 H ASP A 41 -1.888 -1.553 10.049 1.00 0.00 H new ATOM 0 HA ASP A 41 0.446 -0.144 10.873 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.079 -2.422 8.911 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.534 -1.785 9.164 1.00 0.00 H new ATOM 437 N GLU A 42 1.474 0.939 8.769 1.00 0.00 N ATOM 438 CA GLU A 42 1.904 1.933 7.779 1.00 0.00 C ATOM 439 C GLU A 42 3.005 1.378 6.864 1.00 0.00 C ATOM 440 O GLU A 42 3.715 0.421 7.218 1.00 0.00 O ATOM 441 CB GLU A 42 2.374 3.220 8.500 1.00 0.00 C ATOM 442 CG GLU A 42 1.244 3.979 9.218 1.00 0.00 C ATOM 443 CD GLU A 42 1.748 5.197 10.002 1.00 0.00 C ATOM 444 OE1 GLU A 42 2.018 6.238 9.381 1.00 0.00 O ATOM 445 OE2 GLU A 42 1.872 5.116 11.242 1.00 0.00 O ATOM 0 H GLU A 42 2.215 0.664 9.414 1.00 0.00 H new ATOM 0 HA GLU A 42 1.053 2.176 7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.142 2.958 9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.839 3.884 7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.508 4.305 8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.733 3.300 9.901 1.00 0.00 H new ATOM 452 N GLY A 43 3.114 2.000 5.680 1.00 0.00 N ATOM 453 CA GLY A 43 4.040 1.589 4.626 1.00 0.00 C ATOM 454 C GLY A 43 4.618 2.780 3.892 1.00 0.00 C ATOM 455 O GLY A 43 4.385 3.930 4.290 1.00 0.00 O ATOM 0 H GLY A 43 2.552 2.813 5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.849 1.002 5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.522 0.942 3.918 1.00 0.00 H new ATOM 459 N GLU A 44 5.381 2.509 2.819 1.00 0.00 N ATOM 460 CA GLU A 44 5.860 3.541 1.892 1.00 0.00 C ATOM 461 C GLU A 44 5.679 3.041 0.458 1.00 0.00 C ATOM 462 O GLU A 44 5.881 1.855 0.186 1.00 0.00 O ATOM 463 CB GLU A 44 7.348 3.923 2.141 1.00 0.00 C ATOM 464 CG GLU A 44 7.797 5.155 1.318 1.00 0.00 C ATOM 465 CD GLU A 44 9.290 5.511 1.445 1.00 0.00 C ATOM 466 OE1 GLU A 44 9.730 5.894 2.548 1.00 0.00 O ATOM 467 OE2 GLU A 44 10.022 5.440 0.432 1.00 0.00 O ATOM 0 H GLU A 44 5.682 1.566 2.572 1.00 0.00 H new ATOM 0 HA GLU A 44 5.272 4.443 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.493 4.128 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.983 3.073 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.570 4.974 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.205 6.016 1.628 1.00 0.00 H new ATOM 474 N PHE A 45 5.310 3.950 -0.440 1.00 0.00 N ATOM 475 CA PHE A 45 5.119 3.664 -1.866 1.00 0.00 C ATOM 476 C PHE A 45 6.453 3.812 -2.617 1.00 0.00 C ATOM 477 O PHE A 45 7.027 4.895 -2.627 1.00 0.00 O ATOM 478 CB PHE A 45 4.061 4.660 -2.395 1.00 0.00 C ATOM 479 CG PHE A 45 3.763 4.584 -3.887 1.00 0.00 C ATOM 480 CD1 PHE A 45 2.922 3.606 -4.398 1.00 0.00 C ATOM 481 CD2 PHE A 45 4.285 5.524 -4.769 1.00 0.00 C ATOM 482 CE1 PHE A 45 2.618 3.577 -5.740 1.00 0.00 C ATOM 483 CE2 PHE A 45 3.985 5.489 -6.113 1.00 0.00 C ATOM 484 CZ PHE A 45 3.150 4.516 -6.600 1.00 0.00 C ATOM 0 H PHE A 45 5.131 4.924 -0.197 1.00 0.00 H new ATOM 0 HA PHE A 45 4.776 2.641 -2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.131 4.496 -1.850 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.394 5.671 -2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.503 2.862 -3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.939 6.297 -4.393 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.958 2.813 -6.123 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.406 6.226 -6.781 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.910 4.485 -7.652 1.00 0.00 H new ATOM 494 N ARG A 46 6.953 2.717 -3.235 1.00 0.00 N ATOM 495 CA ARG A 46 8.226 2.756 -4.022 1.00 0.00 C ATOM 496 C ARG A 46 7.944 2.543 -5.524 1.00 0.00 C ATOM 497 O ARG A 46 8.447 3.286 -6.374 1.00 0.00 O ATOM 498 CB ARG A 46 9.333 1.741 -3.507 1.00 0.00 C ATOM 499 CG ARG A 46 8.956 0.791 -2.342 1.00 0.00 C ATOM 500 CD ARG A 46 8.753 1.497 -0.985 1.00 0.00 C ATOM 501 NE ARG A 46 9.846 2.419 -0.617 1.00 0.00 N ATOM 502 CZ ARG A 46 10.868 2.139 0.218 1.00 0.00 C ATOM 503 NH1 ARG A 46 11.098 0.903 0.648 1.00 0.00 N ATOM 504 NH2 ARG A 46 11.686 3.110 0.591 1.00 0.00 N ATOM 0 H ARG A 46 6.506 1.800 -3.210 1.00 0.00 H new ATOM 0 HA ARG A 46 8.642 3.752 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.644 1.127 -4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.202 2.322 -3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.040 0.261 -2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.739 0.040 -2.234 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.816 2.054 -1.013 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.651 0.742 -0.206 1.00 0.00 H new ATOM 0 HE ARG A 46 9.827 3.351 -1.031 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.495 0.138 0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.878 0.719 1.279 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.541 4.059 0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.462 2.909 1.222 1.00 0.00 H new ATOM 518 N GLN A 47 7.134 1.518 -5.833 1.00 0.00 N ATOM 519 CA GLN A 47 6.827 1.107 -7.219 1.00 0.00 C ATOM 520 C GLN A 47 5.385 0.597 -7.290 1.00 0.00 C ATOM 521 O GLN A 47 4.806 0.225 -6.259 1.00 0.00 O ATOM 522 CB GLN A 47 7.826 0.019 -7.736 1.00 0.00 C ATOM 523 CG GLN A 47 7.753 -1.366 -7.029 1.00 0.00 C ATOM 524 CD GLN A 47 8.200 -1.355 -5.562 1.00 0.00 C ATOM 525 OE1 GLN A 47 9.367 -1.567 -5.250 1.00 0.00 O ATOM 526 NE2 GLN A 47 7.270 -1.082 -4.651 1.00 0.00 N ATOM 0 H GLN A 47 6.670 0.946 -5.127 1.00 0.00 H new ATOM 0 HA GLN A 47 6.938 1.975 -7.868 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.651 -0.130 -8.802 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.840 0.406 -7.630 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.728 -1.733 -7.081 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.373 -2.074 -7.579 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.307 -0.910 -4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.520 -1.045 -3.663 1.00 0.00 H new ATOM 535 N SER A 48 4.837 0.543 -8.515 1.00 0.00 N ATOM 536 CA SER A 48 3.418 0.250 -8.750 1.00 0.00 C ATOM 537 C SER A 48 3.167 -0.257 -10.164 1.00 0.00 C ATOM 538 O SER A 48 4.043 -0.181 -11.037 1.00 0.00 O ATOM 539 CB SER A 48 2.595 1.527 -8.535 1.00 0.00 C ATOM 540 OG SER A 48 3.072 2.594 -9.341 1.00 0.00 O ATOM 0 H SER A 48 5.369 0.702 -9.371 1.00 0.00 H new ATOM 0 HA SER A 48 3.122 -0.530 -8.049 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.549 1.331 -8.770 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.637 1.816 -7.485 1.00 0.00 H new ATOM 0 HG SER A 48 2.437 3.340 -9.306 1.00 0.00 H new ATOM 546 N ASN A 49 1.938 -0.756 -10.380 1.00 0.00 N ATOM 547 CA ASN A 49 1.428 -1.138 -11.699 1.00 0.00 C ATOM 548 C ASN A 49 -0.038 -0.673 -11.789 1.00 0.00 C ATOM 549 O ASN A 49 -0.783 -0.788 -10.805 1.00 0.00 O ATOM 550 CB ASN A 49 1.500 -2.674 -11.912 1.00 0.00 C ATOM 551 CG ASN A 49 2.810 -3.322 -11.460 1.00 0.00 C ATOM 552 OD1 ASN A 49 3.782 -3.379 -12.211 1.00 0.00 O ATOM 553 ND2 ASN A 49 2.830 -3.832 -10.231 1.00 0.00 N ATOM 0 H ASN A 49 1.264 -0.906 -9.629 1.00 0.00 H new ATOM 0 HA ASN A 49 2.038 -0.670 -12.471 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.675 -3.141 -11.374 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.351 -2.888 -12.970 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.672 -4.290 -9.883 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.003 -3.765 -9.637 1.00 0.00 H new ATOM 560 N ASN A 50 -0.447 -0.148 -12.947 1.00 0.00 N ATOM 561 CA ASN A 50 -1.825 0.330 -13.169 1.00 0.00 C ATOM 562 C ASN A 50 -2.682 -0.783 -13.794 1.00 0.00 C ATOM 563 O ASN A 50 -3.885 -0.876 -13.529 1.00 0.00 O ATOM 564 CB ASN A 50 -1.821 1.598 -14.064 1.00 0.00 C ATOM 565 CG ASN A 50 -1.025 2.780 -13.488 1.00 0.00 C ATOM 566 OD1 ASN A 50 -0.470 3.586 -14.238 1.00 0.00 O ATOM 567 ND2 ASN A 50 -0.963 2.915 -12.161 1.00 0.00 N ATOM 0 H ASN A 50 0.162 -0.040 -13.758 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.263 0.597 -12.207 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.408 1.338 -15.039 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.851 1.915 -14.228 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.450 3.695 -11.751 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.429 2.238 -11.557 1.00 0.00 H new ATOM 574 N GLY A 51 -2.044 -1.620 -14.630 1.00 0.00 N ATOM 575 CA GLY A 51 -2.702 -2.791 -15.214 1.00 0.00 C ATOM 576 C GLY A 51 -2.753 -3.962 -14.238 1.00 0.00 C ATOM 577 O GLY A 51 -3.686 -4.773 -14.281 1.00 0.00 O ATOM 0 H GLY A 51 -1.071 -1.503 -14.914 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.715 -2.525 -15.515 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.170 -3.094 -16.116 1.00 0.00 H new ATOM 581 N ILE A 52 -1.734 -4.049 -13.356 1.00 0.00 N ATOM 582 CA ILE A 52 -1.652 -5.084 -12.308 1.00 0.00 C ATOM 583 C ILE A 52 -2.020 -4.391 -10.970 1.00 0.00 C ATOM 584 O ILE A 52 -1.182 -3.690 -10.389 1.00 0.00 O ATOM 585 CB ILE A 52 -0.212 -5.748 -12.208 1.00 0.00 C ATOM 586 CG1 ILE A 52 0.293 -6.348 -13.585 1.00 0.00 C ATOM 587 CG2 ILE A 52 -0.154 -6.816 -11.086 1.00 0.00 C ATOM 588 CD1 ILE A 52 0.804 -5.330 -14.604 1.00 0.00 C ATOM 0 H ILE A 52 -0.945 -3.402 -13.352 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.336 -5.898 -12.548 1.00 0.00 H new ATOM 0 HB ILE A 52 0.472 -4.940 -11.949 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.092 -7.060 -13.379 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.525 -6.909 -14.038 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.846 -7.249 -11.047 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.386 -6.350 -10.128 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.881 -7.601 -11.293 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.124 -5.849 -15.508 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.006 -4.630 -14.851 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.648 -4.784 -14.181 1.00 0.00 H new ATOM 600 N PRO A 53 -3.292 -4.542 -10.478 1.00 0.00 N ATOM 601 CA PRO A 53 -3.794 -3.767 -9.315 1.00 0.00 C ATOM 602 C PRO A 53 -3.086 -3.986 -7.928 1.00 0.00 C ATOM 603 O PRO A 53 -3.179 -3.084 -7.084 1.00 0.00 O ATOM 604 CB PRO A 53 -5.309 -4.117 -9.263 1.00 0.00 C ATOM 605 CG PRO A 53 -5.418 -5.441 -9.955 1.00 0.00 C ATOM 606 CD PRO A 53 -4.355 -5.425 -11.037 1.00 0.00 C ATOM 0 HA PRO A 53 -3.573 -2.711 -9.473 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.666 -4.177 -8.235 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.908 -3.357 -9.765 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.255 -6.262 -9.257 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.411 -5.579 -10.383 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.977 -6.427 -11.241 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.746 -5.035 -11.976 1.00 0.00 H new ATOM 614 N PRO A 54 -2.405 -5.145 -7.601 1.00 0.00 N ATOM 615 CA PRO A 54 -1.554 -5.193 -6.393 1.00 0.00 C ATOM 616 C PRO A 54 -0.272 -4.332 -6.559 1.00 0.00 C ATOM 617 O PRO A 54 0.615 -4.649 -7.363 1.00 0.00 O ATOM 618 CB PRO A 54 -1.256 -6.700 -6.198 1.00 0.00 C ATOM 619 CG PRO A 54 -1.400 -7.295 -7.563 1.00 0.00 C ATOM 620 CD PRO A 54 -2.473 -6.484 -8.253 1.00 0.00 C ATOM 0 HA PRO A 54 -2.041 -4.768 -5.515 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.253 -6.857 -5.801 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.953 -7.153 -5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.460 -7.247 -8.112 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.681 -8.346 -7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.290 -6.413 -9.325 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.456 -6.937 -8.127 1.00 0.00 H new ATOM 628 N VAL A 55 -0.248 -3.188 -5.845 1.00 0.00 N ATOM 629 CA VAL A 55 0.936 -2.315 -5.710 1.00 0.00 C ATOM 630 C VAL A 55 1.832 -2.804 -4.557 1.00 0.00 C ATOM 631 O VAL A 55 1.342 -3.259 -3.520 1.00 0.00 O ATOM 632 CB VAL A 55 0.530 -0.807 -5.477 1.00 0.00 C ATOM 633 CG1 VAL A 55 -0.443 -0.650 -4.288 1.00 0.00 C ATOM 634 CG2 VAL A 55 1.772 0.099 -5.278 1.00 0.00 C ATOM 0 H VAL A 55 -1.062 -2.840 -5.339 1.00 0.00 H new ATOM 0 HA VAL A 55 1.491 -2.369 -6.647 1.00 0.00 H new ATOM 0 HB VAL A 55 0.014 -0.483 -6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.697 0.403 -4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.351 -1.221 -4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.031 -1.020 -3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.450 1.128 -5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.335 -0.242 -4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.405 0.048 -6.164 1.00 0.00 H new ATOM 644 N GLN A 56 3.153 -2.722 -4.771 1.00 0.00 N ATOM 645 CA GLN A 56 4.152 -3.101 -3.775 1.00 0.00 C ATOM 646 C GLN A 56 4.457 -1.878 -2.880 1.00 0.00 C ATOM 647 O GLN A 56 4.839 -0.807 -3.372 1.00 0.00 O ATOM 648 CB GLN A 56 5.448 -3.632 -4.457 1.00 0.00 C ATOM 649 CG GLN A 56 5.320 -4.928 -5.285 1.00 0.00 C ATOM 650 CD GLN A 56 4.447 -4.800 -6.539 1.00 0.00 C ATOM 651 OE1 GLN A 56 4.925 -4.425 -7.608 1.00 0.00 O ATOM 652 NE2 GLN A 56 3.161 -5.086 -6.400 1.00 0.00 N ATOM 0 H GLN A 56 3.555 -2.388 -5.647 1.00 0.00 H new ATOM 0 HA GLN A 56 3.759 -3.910 -3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.833 -2.849 -5.110 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.196 -3.797 -3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.317 -5.253 -5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.907 -5.711 -4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.802 -5.394 -5.496 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.530 -4.998 -7.197 1.00 0.00 H new ATOM 661 N VAL A 57 4.259 -2.051 -1.567 1.00 0.00 N ATOM 662 CA VAL A 57 4.511 -1.016 -0.539 1.00 0.00 C ATOM 663 C VAL A 57 5.291 -1.655 0.615 1.00 0.00 C ATOM 664 O VAL A 57 4.973 -2.770 1.027 1.00 0.00 O ATOM 665 CB VAL A 57 3.170 -0.357 -0.004 1.00 0.00 C ATOM 666 CG1 VAL A 57 2.832 0.950 -0.757 1.00 0.00 C ATOM 667 CG2 VAL A 57 1.994 -1.349 -0.093 1.00 0.00 C ATOM 0 H VAL A 57 3.913 -2.927 -1.176 1.00 0.00 H new ATOM 0 HA VAL A 57 5.091 -0.213 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 57 3.332 -0.104 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.907 1.369 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.642 1.667 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.708 0.737 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.087 -0.873 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.847 -1.647 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.215 -2.230 0.509 1.00 0.00 H new ATOM 677 N PHE A 58 6.325 -0.947 1.112 1.00 0.00 N ATOM 678 CA PHE A 58 7.215 -1.464 2.168 1.00 0.00 C ATOM 679 C PHE A 58 6.551 -1.268 3.538 1.00 0.00 C ATOM 680 O PHE A 58 6.467 -0.147 4.030 1.00 0.00 O ATOM 681 CB PHE A 58 8.591 -0.735 2.115 1.00 0.00 C ATOM 682 CG PHE A 58 9.638 -1.263 3.101 1.00 0.00 C ATOM 683 CD1 PHE A 58 10.427 -2.364 2.780 1.00 0.00 C ATOM 684 CD2 PHE A 58 9.829 -0.661 4.353 1.00 0.00 C ATOM 685 CE1 PHE A 58 11.370 -2.847 3.668 1.00 0.00 C ATOM 686 CE2 PHE A 58 10.771 -1.149 5.239 1.00 0.00 C ATOM 687 CZ PHE A 58 11.540 -2.243 4.897 1.00 0.00 C ATOM 0 H PHE A 58 6.565 -0.008 0.795 1.00 0.00 H new ATOM 0 HA PHE A 58 7.387 -2.528 2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.991 -0.817 1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.432 0.326 2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.301 -2.848 1.823 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.232 0.196 4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.976 -3.700 3.399 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.905 -0.674 6.200 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.274 -2.626 5.591 1.00 0.00 H new ATOM 697 N TRP A 59 6.103 -2.379 4.134 1.00 0.00 N ATOM 698 CA TRP A 59 5.397 -2.385 5.426 1.00 0.00 C ATOM 699 C TRP A 59 6.373 -2.596 6.587 1.00 0.00 C ATOM 700 O TRP A 59 7.197 -3.518 6.558 1.00 0.00 O ATOM 701 CB TRP A 59 4.315 -3.491 5.442 1.00 0.00 C ATOM 702 CG TRP A 59 3.270 -3.304 4.374 1.00 0.00 C ATOM 703 CD1 TRP A 59 3.189 -3.954 3.176 1.00 0.00 C ATOM 704 CD2 TRP A 59 2.177 -2.381 4.409 1.00 0.00 C ATOM 705 NE1 TRP A 59 2.107 -3.503 2.475 1.00 0.00 N ATOM 706 CE2 TRP A 59 1.470 -2.532 3.212 1.00 0.00 C ATOM 707 CE3 TRP A 59 1.725 -1.451 5.348 1.00 0.00 C ATOM 708 CZ2 TRP A 59 0.339 -1.772 2.920 1.00 0.00 C ATOM 709 CZ3 TRP A 59 0.608 -0.697 5.058 1.00 0.00 C ATOM 710 CH2 TRP A 59 -0.078 -0.864 3.851 1.00 0.00 C ATOM 0 H TRP A 59 6.220 -3.309 3.732 1.00 0.00 H new ATOM 0 HA TRP A 59 4.919 -1.413 5.551 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.793 -4.462 5.310 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.831 -3.505 6.419 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.878 -4.712 2.834 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.818 -3.833 1.554 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.243 -1.325 6.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.191 -1.897 1.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.258 0.033 5.773 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.954 -0.264 3.651 1.00 0.00 H new ATOM 721 N GLN A 60 6.249 -1.731 7.606 1.00 0.00 N ATOM 722 CA GLN A 60 6.972 -1.856 8.883 1.00 0.00 C ATOM 723 C GLN A 60 6.581 -3.150 9.628 1.00 0.00 C ATOM 724 O GLN A 60 7.403 -3.745 10.329 1.00 0.00 O ATOM 725 CB GLN A 60 6.659 -0.628 9.780 1.00 0.00 C ATOM 726 CG GLN A 60 5.155 -0.440 10.101 1.00 0.00 C ATOM 727 CD GLN A 60 4.879 0.723 11.036 1.00 0.00 C ATOM 728 OE1 GLN A 60 4.642 1.848 10.604 1.00 0.00 O ATOM 729 NE2 GLN A 60 4.914 0.457 12.325 1.00 0.00 N ATOM 0 H GLN A 60 5.637 -0.916 7.567 1.00 0.00 H new ATOM 0 HA GLN A 60 8.039 -1.898 8.665 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.209 -0.727 10.716 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.028 0.271 9.287 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.609 -0.286 9.170 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.769 -1.356 10.549 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.114 -0.491 12.645 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.741 1.198 13.004 1.00 0.00 H new ATOM 738 N SER A 61 5.315 -3.565 9.424 1.00 0.00 N ATOM 739 CA SER A 61 4.667 -4.670 10.146 1.00 0.00 C ATOM 740 C SER A 61 5.410 -5.998 9.942 1.00 0.00 C ATOM 741 O SER A 61 5.635 -6.760 10.889 1.00 0.00 O ATOM 742 CB SER A 61 3.218 -4.805 9.632 1.00 0.00 C ATOM 743 OG SER A 61 2.450 -5.668 10.450 1.00 0.00 O ATOM 0 H SER A 61 4.703 -3.128 8.735 1.00 0.00 H new ATOM 0 HA SER A 61 4.683 -4.446 11.213 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.750 -3.821 9.601 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.228 -5.186 8.611 1.00 0.00 H new ATOM 0 HG SER A 61 1.570 -5.269 10.611 1.00 0.00 H new ATOM 749 N THR A 62 5.793 -6.240 8.689 1.00 0.00 N ATOM 750 CA THR A 62 6.422 -7.494 8.249 1.00 0.00 C ATOM 751 C THR A 62 7.894 -7.262 7.822 1.00 0.00 C ATOM 752 O THR A 62 8.649 -8.222 7.585 1.00 0.00 O ATOM 753 CB THR A 62 5.574 -8.119 7.091 1.00 0.00 C ATOM 754 OG1 THR A 62 6.196 -9.316 6.602 1.00 0.00 O ATOM 755 CG2 THR A 62 5.339 -7.123 5.931 1.00 0.00 C ATOM 0 H THR A 62 5.675 -5.562 7.936 1.00 0.00 H new ATOM 0 HA THR A 62 6.445 -8.196 9.082 1.00 0.00 H new ATOM 0 HB THR A 62 4.598 -8.367 7.507 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.909 -9.480 5.679 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.746 -7.604 5.153 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.806 -6.248 6.305 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.299 -6.814 5.517 1.00 0.00 H new ATOM 763 N GLY A 63 8.298 -5.976 7.737 1.00 0.00 N ATOM 764 CA GLY A 63 9.680 -5.600 7.415 1.00 0.00 C ATOM 765 C GLY A 63 10.024 -5.710 5.935 1.00 0.00 C ATOM 766 O GLY A 63 11.210 -5.695 5.571 1.00 0.00 O ATOM 0 H GLY A 63 7.678 -5.181 7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.852 -4.575 7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.360 -6.234 7.984 1.00 0.00 H new ATOM 770 N ARG A 64 8.998 -5.814 5.075 1.00 0.00 N ATOM 771 CA ARG A 64 9.184 -6.090 3.641 1.00 0.00 C ATOM 772 C ARG A 64 8.050 -5.496 2.801 1.00 0.00 C ATOM 773 O ARG A 64 7.014 -5.066 3.324 1.00 0.00 O ATOM 774 CB ARG A 64 9.304 -7.621 3.414 1.00 0.00 C ATOM 775 CG ARG A 64 8.084 -8.425 3.907 1.00 0.00 C ATOM 776 CD ARG A 64 8.268 -9.944 3.789 1.00 0.00 C ATOM 777 NE ARG A 64 8.402 -10.383 2.379 1.00 0.00 N ATOM 778 CZ ARG A 64 7.519 -11.152 1.709 1.00 0.00 C ATOM 779 NH1 ARG A 64 6.387 -11.564 2.273 1.00 0.00 N ATOM 780 NH2 ARG A 64 7.771 -11.490 0.452 1.00 0.00 N ATOM 0 H ARG A 64 8.022 -5.710 5.352 1.00 0.00 H new ATOM 0 HA ARG A 64 10.107 -5.610 3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.445 -7.810 2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.196 -7.985 3.924 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.887 -8.170 4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.206 -8.127 3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.154 -10.246 4.348 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.416 -10.448 4.246 1.00 0.00 H new ATOM 0 HE ARG A 64 9.233 -10.077 1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.170 -11.299 3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.736 -12.145 1.745 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.627 -11.169 -0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.109 -12.071 -0.062 1.00 0.00 H new ATOM 794 N THR A 65 8.268 -5.520 1.482 1.00 0.00 N ATOM 795 CA THR A 65 7.374 -4.953 0.485 1.00 0.00 C ATOM 796 C THR A 65 6.316 -6.003 0.095 1.00 0.00 C ATOM 797 O THR A 65 6.674 -7.108 -0.334 1.00 0.00 O ATOM 798 CB THR A 65 8.228 -4.522 -0.769 1.00 0.00 C ATOM 799 OG1 THR A 65 9.561 -4.174 -0.354 1.00 0.00 O ATOM 800 CG2 THR A 65 7.634 -3.315 -1.482 1.00 0.00 C ATOM 0 H THR A 65 9.098 -5.949 1.074 1.00 0.00 H new ATOM 0 HA THR A 65 6.859 -4.078 0.882 1.00 0.00 H new ATOM 0 HB THR A 65 8.234 -5.370 -1.454 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.088 -3.908 -1.136 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.256 -3.056 -2.338 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.627 -3.554 -1.824 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.593 -2.470 -0.794 1.00 0.00 H new ATOM 808 N TYR A 66 5.019 -5.669 0.242 1.00 0.00 N ATOM 809 CA TYR A 66 3.928 -6.625 -0.023 1.00 0.00 C ATOM 810 C TYR A 66 2.910 -6.032 -1.012 1.00 0.00 C ATOM 811 O TYR A 66 2.765 -4.809 -1.136 1.00 0.00 O ATOM 812 CB TYR A 66 3.229 -7.062 1.303 1.00 0.00 C ATOM 813 CG TYR A 66 2.521 -8.429 1.209 1.00 0.00 C ATOM 814 CD1 TYR A 66 3.272 -9.601 1.267 1.00 0.00 C ATOM 815 CD2 TYR A 66 1.133 -8.560 1.037 1.00 0.00 C ATOM 816 CE1 TYR A 66 2.686 -10.839 1.151 1.00 0.00 C ATOM 817 CE2 TYR A 66 0.542 -9.808 0.930 1.00 0.00 C ATOM 818 CZ TYR A 66 1.328 -10.941 0.981 1.00 0.00 C ATOM 819 OH TYR A 66 0.757 -12.186 0.841 1.00 0.00 O ATOM 0 H TYR A 66 4.703 -4.747 0.542 1.00 0.00 H new ATOM 0 HA TYR A 66 4.364 -7.514 -0.478 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.972 -7.102 2.099 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.499 -6.303 1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.341 -9.535 1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.517 -7.674 0.987 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.294 -11.731 1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.528 -9.894 0.807 1.00 0.00 H new ATOM 0 HH TYR A 66 1.288 -12.847 1.333 1.00 0.00 H new ATOM 829 N TRP A 67 2.210 -6.949 -1.689 1.00 0.00 N ATOM 830 CA TRP A 67 1.299 -6.672 -2.797 1.00 0.00 C ATOM 831 C TRP A 67 -0.113 -6.415 -2.242 1.00 0.00 C ATOM 832 O TRP A 67 -0.733 -7.328 -1.685 1.00 0.00 O ATOM 833 CB TRP A 67 1.307 -7.899 -3.758 1.00 0.00 C ATOM 834 CG TRP A 67 2.690 -8.322 -4.232 1.00 0.00 C ATOM 835 CD1 TRP A 67 3.280 -8.004 -5.415 1.00 0.00 C ATOM 836 CD2 TRP A 67 3.641 -9.153 -3.532 1.00 0.00 C ATOM 837 NE1 TRP A 67 4.531 -8.548 -5.486 1.00 0.00 N ATOM 838 CE2 TRP A 67 4.776 -9.263 -4.351 1.00 0.00 C ATOM 839 CE3 TRP A 67 3.646 -9.807 -2.295 1.00 0.00 C ATOM 840 CZ2 TRP A 67 5.900 -9.992 -3.975 1.00 0.00 C ATOM 841 CZ3 TRP A 67 4.760 -10.531 -1.922 1.00 0.00 C ATOM 842 CH2 TRP A 67 5.877 -10.619 -2.761 1.00 0.00 C ATOM 0 H TRP A 67 2.267 -7.943 -1.468 1.00 0.00 H new ATOM 0 HA TRP A 67 1.615 -5.786 -3.347 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.836 -8.743 -3.253 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.694 -7.666 -4.629 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.824 -7.405 -6.190 1.00 0.00 H new ATOM 0 HE1 TRP A 67 5.180 -8.437 -6.265 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.789 -9.746 -1.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 6.762 -10.060 -4.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 4.770 -11.037 -0.968 1.00 0.00 H new ATOM 0 HH2 TRP A 67 6.735 -11.192 -2.443 1.00 0.00 H new ATOM 853 N VAL A 68 -0.597 -5.161 -2.357 1.00 0.00 N ATOM 854 CA VAL A 68 -1.912 -4.742 -1.810 1.00 0.00 C ATOM 855 C VAL A 68 -2.739 -4.015 -2.889 1.00 0.00 C ATOM 856 O VAL A 68 -2.175 -3.415 -3.802 1.00 0.00 O ATOM 857 CB VAL A 68 -1.778 -3.824 -0.523 1.00 0.00 C ATOM 858 CG1 VAL A 68 -0.871 -4.476 0.557 1.00 0.00 C ATOM 859 CG2 VAL A 68 -1.301 -2.395 -0.877 1.00 0.00 C ATOM 0 H VAL A 68 -0.093 -4.410 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.427 -5.653 -1.505 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.777 -3.731 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.804 -3.817 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.297 -5.432 0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.126 -4.637 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.223 -1.801 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.326 -2.446 -1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.018 -1.929 -1.554 1.00 0.00 H new ATOM 869 N HIS A 69 -4.079 -4.066 -2.769 1.00 0.00 N ATOM 870 CA HIS A 69 -4.997 -3.456 -3.758 1.00 0.00 C ATOM 871 C HIS A 69 -5.131 -1.934 -3.515 1.00 0.00 C ATOM 872 O HIS A 69 -5.107 -1.488 -2.368 1.00 0.00 O ATOM 873 CB HIS A 69 -6.388 -4.149 -3.709 1.00 0.00 C ATOM 874 CG HIS A 69 -7.286 -3.817 -4.877 1.00 0.00 C ATOM 875 ND1 HIS A 69 -7.158 -4.416 -6.116 1.00 0.00 N ATOM 876 CD2 HIS A 69 -8.292 -2.920 -5.007 1.00 0.00 C ATOM 877 CE1 HIS A 69 -8.045 -3.906 -6.943 1.00 0.00 C ATOM 878 NE2 HIS A 69 -8.739 -2.994 -6.302 1.00 0.00 N ATOM 0 H HIS A 69 -4.555 -4.526 -1.993 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.577 -3.603 -4.753 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.243 -5.229 -3.672 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.891 -3.864 -2.785 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.672 -2.268 -4.235 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.180 -4.190 -7.976 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.490 -2.431 -6.702 1.00 0.00 H new ATOM 887 N TRP A 70 -5.316 -1.163 -4.610 1.00 0.00 N ATOM 888 CA TRP A 70 -5.395 0.322 -4.585 1.00 0.00 C ATOM 889 C TRP A 70 -6.547 0.849 -3.699 1.00 0.00 C ATOM 890 O TRP A 70 -6.336 1.730 -2.864 1.00 0.00 O ATOM 891 CB TRP A 70 -5.572 0.864 -6.020 1.00 0.00 C ATOM 892 CG TRP A 70 -4.400 0.599 -6.925 1.00 0.00 C ATOM 893 CD1 TRP A 70 -4.290 -0.364 -7.887 1.00 0.00 C ATOM 894 CD2 TRP A 70 -3.170 1.328 -6.939 1.00 0.00 C ATOM 895 NE1 TRP A 70 -3.059 -0.289 -8.485 1.00 0.00 N ATOM 896 CE2 TRP A 70 -2.355 0.749 -7.926 1.00 0.00 C ATOM 897 CE3 TRP A 70 -2.683 2.419 -6.203 1.00 0.00 C ATOM 898 CZ2 TRP A 70 -1.083 1.229 -8.200 1.00 0.00 C ATOM 899 CZ3 TRP A 70 -1.420 2.891 -6.477 1.00 0.00 C ATOM 900 CH2 TRP A 70 -0.632 2.297 -7.466 1.00 0.00 C ATOM 0 H TRP A 70 -5.416 -1.554 -5.547 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.460 0.677 -4.153 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -6.464 0.417 -6.458 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.745 1.939 -5.972 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -5.059 -1.079 -8.139 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -2.721 -0.904 -9.225 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.288 2.879 -5.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.468 0.778 -8.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.033 3.732 -5.920 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.356 2.688 -7.657 1.00 0.00 H new ATOM 911 N HIS A 71 -7.761 0.301 -3.896 1.00 0.00 N ATOM 912 CA HIS A 71 -8.978 0.729 -3.153 1.00 0.00 C ATOM 913 C HIS A 71 -8.893 0.353 -1.655 1.00 0.00 C ATOM 914 O HIS A 71 -9.551 0.965 -0.805 1.00 0.00 O ATOM 915 CB HIS A 71 -10.243 0.109 -3.806 1.00 0.00 C ATOM 916 CG HIS A 71 -11.546 0.595 -3.219 1.00 0.00 C ATOM 917 ND1 HIS A 71 -12.377 -0.196 -2.453 1.00 0.00 N ATOM 918 CD2 HIS A 71 -12.142 1.809 -3.276 1.00 0.00 C ATOM 919 CE1 HIS A 71 -13.425 0.512 -2.075 1.00 0.00 C ATOM 920 NE2 HIS A 71 -13.307 1.728 -2.560 1.00 0.00 N ATOM 0 H HIS A 71 -7.933 -0.446 -4.568 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.045 1.815 -3.210 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.233 0.332 -4.873 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.195 -0.975 -3.706 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -11.768 2.681 -3.791 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -14.243 0.152 -1.468 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -13.974 2.488 -2.425 1.00 0.00 H new ATOM 929 N MET A 72 -8.064 -0.656 -1.369 1.00 0.00 N ATOM 930 CA MET A 72 -7.822 -1.180 -0.015 1.00 0.00 C ATOM 931 C MET A 72 -6.559 -0.543 0.611 1.00 0.00 C ATOM 932 O MET A 72 -6.239 -0.799 1.778 1.00 0.00 O ATOM 933 CB MET A 72 -7.708 -2.720 -0.124 1.00 0.00 C ATOM 934 CG MET A 72 -9.014 -3.397 -0.605 1.00 0.00 C ATOM 935 SD MET A 72 -8.761 -5.006 -1.387 1.00 0.00 S ATOM 936 CE MET A 72 -7.796 -5.868 -0.156 1.00 0.00 C ATOM 0 H MET A 72 -7.529 -1.144 -2.087 1.00 0.00 H new ATOM 0 HA MET A 72 -8.646 -0.922 0.650 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.902 -2.970 -0.814 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.433 -3.127 0.849 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.683 -3.519 0.247 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.515 -2.736 -1.312 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.555 -6.868 -0.517 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.874 -5.318 0.034 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.370 -5.945 0.768 1.00 0.00 H new ATOM 946 N LEU A 73 -5.860 0.288 -0.183 1.00 0.00 N ATOM 947 CA LEU A 73 -4.726 1.111 0.270 1.00 0.00 C ATOM 948 C LEU A 73 -5.267 2.503 0.652 1.00 0.00 C ATOM 949 O LEU A 73 -6.156 3.036 -0.019 1.00 0.00 O ATOM 950 CB LEU A 73 -3.644 1.172 -0.867 1.00 0.00 C ATOM 951 CG LEU A 73 -2.294 1.938 -0.566 1.00 0.00 C ATOM 952 CD1 LEU A 73 -1.125 1.394 -1.416 1.00 0.00 C ATOM 953 CD2 LEU A 73 -2.417 3.467 -0.777 1.00 0.00 C ATOM 0 H LEU A 73 -6.071 0.408 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.242 0.682 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.393 0.148 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.103 1.635 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.082 1.757 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.216 1.946 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.975 0.337 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.358 1.514 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.461 3.943 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.693 3.670 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.183 3.866 -0.112 1.00 0.00 H new ATOM 965 N GLU A 74 -4.722 3.079 1.736 1.00 0.00 N ATOM 966 CA GLU A 74 -5.080 4.426 2.217 1.00 0.00 C ATOM 967 C GLU A 74 -3.801 5.264 2.346 1.00 0.00 C ATOM 968 O GLU A 74 -2.792 4.767 2.841 1.00 0.00 O ATOM 969 CB GLU A 74 -5.802 4.320 3.587 1.00 0.00 C ATOM 970 CG GLU A 74 -6.386 5.635 4.126 1.00 0.00 C ATOM 971 CD GLU A 74 -7.127 5.442 5.464 1.00 0.00 C ATOM 972 OE1 GLU A 74 -6.493 5.544 6.535 1.00 0.00 O ATOM 973 OE2 GLU A 74 -8.344 5.162 5.453 1.00 0.00 O ATOM 0 H GLU A 74 -4.014 2.620 2.309 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.755 4.907 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.609 3.593 3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.098 3.927 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.582 6.359 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.073 6.053 3.390 1.00 0.00 H new ATOM 980 N ILE A 75 -3.831 6.520 1.876 1.00 0.00 N ATOM 981 CA ILE A 75 -2.685 7.449 1.988 1.00 0.00 C ATOM 982 C ILE A 75 -3.005 8.585 2.982 1.00 0.00 C ATOM 983 O ILE A 75 -3.949 9.351 2.793 1.00 0.00 O ATOM 984 CB ILE A 75 -2.248 8.022 0.583 1.00 0.00 C ATOM 985 CG1 ILE A 75 -3.473 8.569 -0.228 1.00 0.00 C ATOM 986 CG2 ILE A 75 -1.466 6.950 -0.214 1.00 0.00 C ATOM 987 CD1 ILE A 75 -3.128 9.129 -1.598 1.00 0.00 C ATOM 0 H ILE A 75 -4.643 6.923 1.409 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.837 6.883 2.374 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.585 8.870 0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.198 7.765 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.959 9.350 0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.171 7.358 -1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.576 6.659 0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.100 6.077 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.036 9.484 -2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.429 9.958 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.671 8.348 -2.206 1.00 0.00 H new ATOM 999 N LEU A 76 -2.219 8.636 4.076 1.00 0.00 N ATOM 1000 CA LEU A 76 -2.298 9.698 5.112 1.00 0.00 C ATOM 1001 C LEU A 76 -1.322 10.839 4.782 1.00 0.00 C ATOM 1002 O LEU A 76 -1.297 11.852 5.486 1.00 0.00 O ATOM 1003 CB LEU A 76 -1.994 9.119 6.535 1.00 0.00 C ATOM 1004 CG LEU A 76 -3.137 8.330 7.250 1.00 0.00 C ATOM 1005 CD1 LEU A 76 -3.717 7.221 6.362 1.00 0.00 C ATOM 1006 CD2 LEU A 76 -2.653 7.772 8.617 1.00 0.00 C ATOM 0 H LEU A 76 -1.503 7.937 4.272 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.314 10.092 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.130 8.459 6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.702 9.948 7.180 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.948 9.033 7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.508 6.700 6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.126 7.660 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.929 6.514 6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.466 7.227 9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.810 7.100 8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.343 8.597 9.258 1.00 0.00 H new ATOM 1018 N GLY A 77 -0.490 10.638 3.740 1.00 0.00 N ATOM 1019 CA GLY A 77 0.436 11.660 3.273 1.00 0.00 C ATOM 1020 C GLY A 77 -0.290 12.796 2.551 1.00 0.00 C ATOM 1021 O GLY A 77 -0.894 12.546 1.499 1.00 0.00 O ATOM 0 H GLY A 77 -0.450 9.767 3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.990 12.063 4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.166 11.209 2.600 1.00 0.00 H new TER 1025 GLY A 77