USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 503 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 37 ASN : amide:sc= -0.41 K(o=0.43,f=-19!) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -148:sc= 0.842 (180deg=0) USER MOD Set 2.1: A 27 SER OG : rot 101:sc= 0.515 USER MOD Set 2.2: A 29 GLN : amide:sc= 0.817 X(o=1.3,f=1.6) USER MOD Set 3.1: A 13 LYS NZ :NH3+ 174:sc= 0.255 (180deg=-0.0788) USER MOD Set 3.2: A 55 THR OG1 : rot -16:sc= 0.531 USER MOD Single : A 4 ASN : amide:sc= -2.18! C(o=-2.2!,f=-5.1!) USER MOD Single : A 5 ASN : amide:sc= -0.551! C(o=-0.55!,f=-5.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.371) USER MOD Single : A 16 SER OG : rot -68:sc= -0.986 USER MOD Single : A 17 GLN : amide:sc= -2.95! C(o=-3!,f=-11!) USER MOD Single : A 18 SER OG : rot 161:sc= -2.88! USER MOD Single : A 30 THR OG1 : rot 110:sc= -0.128 USER MOD Single : A 32 ASN : amide:sc= -5.24! C(o=-5.2!,f=-8.5!) USER MOD Single : A 36 LYS NZ :NH3+ -121:sc= -0.539 (180deg=-8.36!) USER MOD Single : A 39 TYR OH : rot 180:sc=-6.15e-05 USER MOD Single : A 40 ASN : amide:sc= -0.873 K(o=-0.87,f=-4.9!) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 44 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.32) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 156:sc= 1.13 USER MOD Single : A 54 ASN : amide:sc= -1.57! X(o=-1.6!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 4 -1.072 -1.890 -5.890 1.00 0.00 N ATOM 57 CA ASN A 4 -1.742 -2.642 -4.825 1.00 0.00 C ATOM 58 C ASN A 4 -1.628 -4.118 -5.123 1.00 0.00 C ATOM 59 O ASN A 4 -2.594 -4.771 -5.530 1.00 0.00 O ATOM 60 CB ASN A 4 -3.214 -2.242 -4.661 1.00 0.00 C ATOM 61 CG ASN A 4 -3.336 -0.783 -4.245 1.00 0.00 C ATOM 62 OD1 ASN A 4 -2.495 -0.266 -3.511 1.00 0.00 O ATOM 63 ND2 ASN A 4 -4.346 -0.090 -4.662 1.00 0.00 N ATOM 0 HA ASN A 4 -1.249 -2.407 -3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.746 -2.403 -5.599 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.687 -2.879 -3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.445 0.886 -4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.043 -0.520 -5.271 1.00 0.00 H new ATOM 70 N ASN A 5 -0.400 -4.598 -5.072 1.00 0.00 N ATOM 71 CA ASN A 5 -0.062 -5.947 -5.493 1.00 0.00 C ATOM 72 C ASN A 5 -0.196 -6.935 -4.337 1.00 0.00 C ATOM 73 O ASN A 5 0.388 -8.015 -4.366 1.00 0.00 O ATOM 74 CB ASN A 5 1.377 -5.992 -6.039 1.00 0.00 C ATOM 75 CG ASN A 5 1.729 -4.705 -6.790 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.589 -3.598 -6.245 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.181 -4.776 -8.006 1.00 0.00 N ATOM 0 H ASN A 5 0.398 -4.060 -4.735 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.760 -6.233 -6.280 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.076 -6.137 -5.215 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.488 -6.847 -6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.420 -3.923 -8.512 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.297 -5.685 -8.455 1.00 0.00 H new ATOM 84 N LEU A 6 -0.973 -6.571 -3.335 1.00 0.00 N ATOM 85 CA LEU A 6 -1.151 -7.419 -2.153 1.00 0.00 C ATOM 86 C LEU A 6 -1.716 -8.759 -2.575 1.00 0.00 C ATOM 87 O LEU A 6 -1.243 -9.822 -2.151 1.00 0.00 O ATOM 88 CB LEU A 6 -2.105 -6.716 -1.155 1.00 0.00 C ATOM 89 CG LEU A 6 -2.408 -7.584 0.096 1.00 0.00 C ATOM 90 CD1 LEU A 6 -3.531 -8.581 -0.201 1.00 0.00 C ATOM 91 CD2 LEU A 6 -1.159 -8.333 0.578 1.00 0.00 C ATOM 0 H LEU A 6 -1.495 -5.695 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.190 -7.582 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.662 -5.772 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.040 -6.475 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.728 -6.911 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.730 -9.181 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.434 -8.039 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.230 -9.234 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.409 -8.930 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.798 -8.987 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.381 -7.615 0.838 1.00 0.00 H new ATOM 103 N LYS A 7 -2.667 -8.708 -3.468 1.00 0.00 N ATOM 104 CA LYS A 7 -3.292 -9.902 -3.983 1.00 0.00 C ATOM 105 C LYS A 7 -2.257 -10.916 -4.434 1.00 0.00 C ATOM 106 O LYS A 7 -2.336 -12.077 -4.062 1.00 0.00 O ATOM 107 CB LYS A 7 -4.190 -9.552 -5.177 1.00 0.00 C ATOM 108 CG LYS A 7 -3.596 -8.352 -5.935 1.00 0.00 C ATOM 109 CD LYS A 7 -4.434 -8.047 -7.170 1.00 0.00 C ATOM 110 CE LYS A 7 -3.849 -6.815 -7.879 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.194 -6.851 -9.319 1.00 0.00 N ATOM 0 H LYS A 7 -3.032 -7.840 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.886 -10.336 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.276 -10.410 -5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.196 -9.315 -4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.564 -7.479 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.569 -8.569 -6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.437 -8.904 -7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.470 -7.862 -6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.239 -5.904 -7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.766 -6.794 -7.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.795 -6.015 -9.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.801 -7.713 -9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.228 -6.850 -9.428 1.00 0.00 H new ATOM 125 N LEU A 8 -1.311 -10.478 -5.262 1.00 0.00 N ATOM 126 CA LEU A 8 -0.372 -11.406 -5.888 1.00 0.00 C ATOM 127 C LEU A 8 0.407 -12.173 -4.853 1.00 0.00 C ATOM 128 O LEU A 8 0.435 -13.407 -4.883 1.00 0.00 O ATOM 129 CB LEU A 8 0.614 -10.645 -6.795 1.00 0.00 C ATOM 130 CG LEU A 8 -0.097 -10.028 -8.028 1.00 0.00 C ATOM 131 CD1 LEU A 8 -1.442 -10.702 -8.302 1.00 0.00 C ATOM 132 CD2 LEU A 8 -0.314 -8.530 -7.814 1.00 0.00 C ATOM 0 H LEU A 8 -1.175 -9.499 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.955 -12.107 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.099 -9.855 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.398 -11.324 -7.130 1.00 0.00 H new ATOM 0 HG LEU A 8 0.547 -10.190 -8.892 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.909 -10.242 -9.173 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.285 -11.764 -8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.092 -10.582 -7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.814 -8.107 -8.685 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.932 -8.375 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.649 -8.039 -7.674 1.00 0.00 H new ATOM 144 N ILE A 9 0.926 -11.471 -3.874 1.00 0.00 N ATOM 145 CA ILE A 9 1.613 -12.129 -2.787 1.00 0.00 C ATOM 146 C ILE A 9 0.608 -12.964 -2.012 1.00 0.00 C ATOM 147 O ILE A 9 0.906 -14.067 -1.555 1.00 0.00 O ATOM 148 CB ILE A 9 2.301 -11.128 -1.863 1.00 0.00 C ATOM 149 CG1 ILE A 9 3.179 -10.183 -2.690 1.00 0.00 C ATOM 150 CG2 ILE A 9 3.219 -11.913 -0.923 1.00 0.00 C ATOM 151 CD1 ILE A 9 2.618 -8.779 -2.633 1.00 0.00 C ATOM 0 H ILE A 9 0.887 -10.454 -3.807 1.00 0.00 H new ATOM 0 HA ILE A 9 2.394 -12.768 -3.200 1.00 0.00 H new ATOM 0 HB ILE A 9 1.553 -10.556 -1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.200 -10.192 -2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.223 -10.525 -3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.726 -11.222 -0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.626 -12.619 -0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.960 -12.458 -1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.247 -8.112 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.606 -8.775 -3.037 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.597 -8.437 -1.598 1.00 0.00 H new ATOM 163 N ARG A 10 -0.565 -12.409 -1.797 1.00 0.00 N ATOM 164 CA ARG A 10 -1.565 -13.123 -1.041 1.00 0.00 C ATOM 165 C ARG A 10 -1.893 -14.469 -1.719 1.00 0.00 C ATOM 166 O ARG A 10 -1.798 -15.519 -1.083 1.00 0.00 O ATOM 167 CB ARG A 10 -2.826 -12.258 -0.878 1.00 0.00 C ATOM 168 CG ARG A 10 -4.045 -13.145 -0.634 1.00 0.00 C ATOM 169 CD ARG A 10 -4.783 -13.346 -1.955 1.00 0.00 C ATOM 170 NE ARG A 10 -5.371 -14.679 -2.032 1.00 0.00 N ATOM 171 CZ ARG A 10 -6.060 -15.066 -3.108 1.00 0.00 C ATOM 172 NH1 ARG A 10 -6.332 -14.197 -4.045 1.00 0.00 N ATOM 173 NH2 ARG A 10 -6.487 -16.292 -3.208 1.00 0.00 N ATOM 0 H ARG A 10 -0.844 -11.485 -2.128 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.172 -13.337 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.697 -11.567 -0.045 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.980 -11.654 -1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.735 -14.107 -0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.706 -12.684 0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.565 -12.594 -2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.093 -13.201 -2.786 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.254 -15.325 -1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.018 -13.231 -3.951 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.858 -14.485 -4.870 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.295 -16.961 -2.462 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.013 -16.583 -4.032 1.00 0.00 H new ATOM 187 N GLU A 11 -2.144 -14.458 -3.032 1.00 0.00 N ATOM 188 CA GLU A 11 -2.373 -15.727 -3.738 1.00 0.00 C ATOM 189 C GLU A 11 -1.092 -16.541 -3.770 1.00 0.00 C ATOM 190 O GLU A 11 -1.118 -17.764 -3.902 1.00 0.00 O ATOM 191 CB GLU A 11 -2.914 -15.546 -5.180 1.00 0.00 C ATOM 192 CG GLU A 11 -2.993 -14.068 -5.574 1.00 0.00 C ATOM 193 CD GLU A 11 -3.421 -13.920 -7.024 1.00 0.00 C ATOM 194 OE1 GLU A 11 -2.957 -14.685 -7.842 1.00 0.00 O ATOM 195 OE2 GLU A 11 -4.210 -13.047 -7.303 1.00 0.00 O ATOM 0 H GLU A 11 -2.193 -13.620 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.146 -16.254 -3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.268 -16.075 -5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.904 -15.996 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.701 -13.551 -4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.022 -13.595 -5.426 1.00 0.00 H new ATOM 202 N LYS A 12 0.025 -15.841 -3.720 1.00 0.00 N ATOM 203 CA LYS A 12 1.341 -16.451 -3.845 1.00 0.00 C ATOM 204 C LYS A 12 1.521 -17.502 -2.769 1.00 0.00 C ATOM 205 O LYS A 12 1.845 -18.653 -3.057 1.00 0.00 O ATOM 206 CB LYS A 12 2.359 -15.360 -3.609 1.00 0.00 C ATOM 207 CG LYS A 12 3.773 -15.821 -3.859 1.00 0.00 C ATOM 208 CD LYS A 12 4.659 -14.625 -3.559 1.00 0.00 C ATOM 209 CE LYS A 12 6.088 -14.936 -3.937 1.00 0.00 C ATOM 210 NZ LYS A 12 6.928 -13.726 -3.754 1.00 0.00 N ATOM 0 H LYS A 12 0.049 -14.829 -3.591 1.00 0.00 H new ATOM 0 HA LYS A 12 1.456 -16.912 -4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.136 -14.514 -4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.273 -15.004 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.027 -16.666 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.900 -16.152 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.309 -13.754 -4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.600 -14.374 -2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.468 -15.751 -3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.136 -15.270 -4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.911 -13.943 -4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.570 -12.960 -4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.892 -13.426 -2.759 1.00 0.00 H new ATOM 224 N LYS A 13 1.231 -17.123 -1.541 1.00 0.00 N ATOM 225 CA LYS A 13 1.315 -18.075 -0.423 1.00 0.00 C ATOM 226 C LYS A 13 -0.024 -18.771 -0.244 1.00 0.00 C ATOM 227 O LYS A 13 -0.252 -19.445 0.761 1.00 0.00 O ATOM 228 CB LYS A 13 1.690 -17.388 0.903 1.00 0.00 C ATOM 229 CG LYS A 13 2.573 -16.168 0.653 1.00 0.00 C ATOM 230 CD LYS A 13 3.141 -15.665 1.988 1.00 0.00 C ATOM 231 CE LYS A 13 4.181 -14.558 1.730 1.00 0.00 C ATOM 232 NZ LYS A 13 4.774 -14.119 3.019 1.00 0.00 N ATOM 0 H LYS A 13 0.938 -16.181 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 13 2.098 -18.792 -0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.785 -17.085 1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.213 -18.094 1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.386 -16.427 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.995 -15.380 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.336 -15.281 2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.602 -16.490 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.963 -14.927 1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.710 -13.713 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.546 -13.446 2.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.043 -13.658 3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.149 -14.945 3.528 1.00 0.00 H new ATOM 246 N LYS A 14 -0.950 -18.482 -1.148 1.00 0.00 N ATOM 247 CA LYS A 14 -2.323 -18.958 -1.037 1.00 0.00 C ATOM 248 C LYS A 14 -2.988 -18.348 0.188 1.00 0.00 C ATOM 249 O LYS A 14 -3.918 -18.928 0.764 1.00 0.00 O ATOM 250 CB LYS A 14 -2.377 -20.489 -0.947 1.00 0.00 C ATOM 251 CG LYS A 14 -1.749 -21.115 -2.188 1.00 0.00 C ATOM 252 CD LYS A 14 -2.550 -20.722 -3.434 1.00 0.00 C ATOM 253 CE LYS A 14 -2.263 -21.725 -4.548 1.00 0.00 C ATOM 254 NZ LYS A 14 -0.798 -21.862 -4.742 1.00 0.00 N ATOM 0 H LYS A 14 -0.772 -17.913 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.859 -18.650 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.850 -20.826 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.412 -20.818 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.716 -20.783 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.727 -22.200 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.616 -20.707 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.278 -19.716 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.697 -22.693 -4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.732 -21.395 -5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.610 -22.306 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.355 -20.922 -4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.401 -22.455 -3.985 1.00 0.00 H new ATOM 268 N ILE A 15 -2.608 -17.128 0.501 1.00 0.00 N ATOM 269 CA ILE A 15 -3.223 -16.410 1.585 1.00 0.00 C ATOM 270 C ILE A 15 -4.624 -16.033 1.160 1.00 0.00 C ATOM 271 O ILE A 15 -4.893 -15.867 -0.034 1.00 0.00 O ATOM 272 CB ILE A 15 -2.416 -15.142 1.923 1.00 0.00 C ATOM 273 CG1 ILE A 15 -0.972 -15.501 2.192 1.00 0.00 C ATOM 274 CG2 ILE A 15 -2.973 -14.441 3.155 1.00 0.00 C ATOM 275 CD1 ILE A 15 -0.875 -16.647 3.211 1.00 0.00 C ATOM 0 H ILE A 15 -1.873 -16.615 0.015 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.250 -17.037 2.476 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.489 -14.472 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.486 -15.794 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.440 -14.628 2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.381 -13.551 3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.009 -14.153 2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.929 -15.117 4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.173 -16.888 3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.341 -16.341 4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.388 -17.526 2.820 1.00 0.00 H new ATOM 287 N SER A 16 -5.527 -15.980 2.095 1.00 0.00 N ATOM 288 CA SER A 16 -6.893 -15.633 1.760 1.00 0.00 C ATOM 289 C SER A 16 -7.066 -14.126 1.766 1.00 0.00 C ATOM 290 O SER A 16 -6.479 -13.447 2.593 1.00 0.00 O ATOM 291 CB SER A 16 -7.893 -16.312 2.708 1.00 0.00 C ATOM 292 OG SER A 16 -7.499 -16.120 4.061 1.00 0.00 O ATOM 0 H SER A 16 -5.355 -16.168 3.083 1.00 0.00 H new ATOM 0 HA SER A 16 -7.103 -16.001 0.756 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.890 -15.901 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.949 -17.378 2.486 1.00 0.00 H new ATOM 0 HG SER A 16 -6.677 -16.624 4.237 1.00 0.00 H new ATOM 298 N GLN A 17 -7.919 -13.609 0.898 1.00 0.00 N ATOM 299 CA GLN A 17 -8.198 -12.176 0.895 1.00 0.00 C ATOM 300 C GLN A 17 -8.838 -11.820 2.222 1.00 0.00 C ATOM 301 O GLN A 17 -8.639 -10.732 2.763 1.00 0.00 O ATOM 302 CB GLN A 17 -9.189 -11.826 -0.229 1.00 0.00 C ATOM 303 CG GLN A 17 -8.698 -12.335 -1.601 1.00 0.00 C ATOM 304 CD GLN A 17 -7.645 -11.413 -2.235 1.00 0.00 C ATOM 305 OE1 GLN A 17 -7.033 -11.787 -3.245 1.00 0.00 O ATOM 306 NE2 GLN A 17 -7.388 -10.249 -1.723 1.00 0.00 N ATOM 0 H GLN A 17 -8.425 -14.147 0.195 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.270 -11.626 0.739 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.162 -12.263 -0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.327 -10.745 -0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.277 -13.333 -1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.549 -12.425 -2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.889 -9.936 -0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.685 -9.647 -2.152 1.00 0.00 H new ATOM 315 N SER A 18 -9.687 -12.718 2.676 1.00 0.00 N ATOM 316 CA SER A 18 -10.454 -12.535 3.885 1.00 0.00 C ATOM 317 C SER A 18 -9.565 -12.457 5.138 1.00 0.00 C ATOM 318 O SER A 18 -9.895 -11.728 6.084 1.00 0.00 O ATOM 319 CB SER A 18 -11.438 -13.690 4.030 1.00 0.00 C ATOM 320 OG SER A 18 -12.177 -13.849 2.814 1.00 0.00 O ATOM 0 H SER A 18 -9.864 -13.607 2.208 1.00 0.00 H new ATOM 0 HA SER A 18 -10.982 -11.585 3.803 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.902 -14.610 4.264 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.119 -13.498 4.859 1.00 0.00 H new ATOM 0 HG SER A 18 -12.573 -14.745 2.787 1.00 0.00 H new ATOM 326 N GLU A 19 -8.537 -13.319 5.219 1.00 0.00 N ATOM 327 CA GLU A 19 -7.788 -13.438 6.467 1.00 0.00 C ATOM 328 C GLU A 19 -7.051 -12.168 6.847 1.00 0.00 C ATOM 329 O GLU A 19 -7.318 -11.590 7.898 1.00 0.00 O ATOM 330 CB GLU A 19 -6.850 -14.666 6.491 1.00 0.00 C ATOM 331 CG GLU A 19 -5.633 -14.475 5.572 1.00 0.00 C ATOM 332 CD GLU A 19 -4.846 -15.757 5.514 1.00 0.00 C ATOM 333 OE1 GLU A 19 -4.119 -16.022 6.448 1.00 0.00 O ATOM 334 OE2 GLU A 19 -4.991 -16.476 4.549 1.00 0.00 O ATOM 0 H GLU A 19 -8.219 -13.922 4.460 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.545 -13.600 7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.510 -14.843 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.404 -15.552 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.960 -14.190 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.005 -13.666 5.945 1.00 0.00 H new ATOM 341 N LEU A 20 -6.143 -11.705 5.994 1.00 0.00 N ATOM 342 CA LEU A 20 -5.372 -10.529 6.354 1.00 0.00 C ATOM 343 C LEU A 20 -6.281 -9.375 6.672 1.00 0.00 C ATOM 344 O LEU A 20 -6.093 -8.689 7.662 1.00 0.00 O ATOM 345 CB LEU A 20 -4.257 -10.144 5.327 1.00 0.00 C ATOM 346 CG LEU A 20 -4.769 -9.952 3.878 1.00 0.00 C ATOM 347 CD1 LEU A 20 -5.451 -11.200 3.360 1.00 0.00 C ATOM 348 CD2 LEU A 20 -5.704 -8.742 3.759 1.00 0.00 C ATOM 0 H LEU A 20 -5.930 -12.110 5.082 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.821 -10.794 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.778 -9.222 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.492 -10.920 5.330 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.893 -9.760 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.797 -11.029 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.745 -12.031 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.302 -11.441 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.041 -8.642 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.567 -8.883 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.170 -7.839 4.055 1.00 0.00 H new ATOM 360 N ALA A 21 -7.342 -9.252 5.920 1.00 0.00 N ATOM 361 CA ALA A 21 -8.319 -8.212 6.171 1.00 0.00 C ATOM 362 C ALA A 21 -8.825 -8.284 7.617 1.00 0.00 C ATOM 363 O ALA A 21 -8.883 -7.262 8.314 1.00 0.00 O ATOM 364 CB ALA A 21 -9.490 -8.329 5.183 1.00 0.00 C ATOM 0 H ALA A 21 -7.557 -9.856 5.127 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.838 -7.245 6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.216 -7.541 5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.117 -8.228 4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.969 -9.301 5.299 1.00 0.00 H new ATOM 370 N ALA A 22 -9.082 -9.496 8.103 1.00 0.00 N ATOM 371 CA ALA A 22 -9.477 -9.674 9.493 1.00 0.00 C ATOM 372 C ALA A 22 -8.313 -9.359 10.406 1.00 0.00 C ATOM 373 O ALA A 22 -8.475 -8.728 11.451 1.00 0.00 O ATOM 374 CB ALA A 22 -9.965 -11.105 9.741 1.00 0.00 C ATOM 0 H ALA A 22 -9.024 -10.358 7.561 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.297 -8.989 9.708 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.255 -11.215 10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.824 -11.312 9.103 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.164 -11.808 9.511 1.00 0.00 H new ATOM 380 N LEU A 23 -7.140 -9.796 9.995 1.00 0.00 N ATOM 381 CA LEU A 23 -5.919 -9.576 10.754 1.00 0.00 C ATOM 382 C LEU A 23 -5.640 -8.084 10.820 1.00 0.00 C ATOM 383 O LEU A 23 -5.200 -7.550 11.854 1.00 0.00 O ATOM 384 CB LEU A 23 -4.760 -10.288 10.060 1.00 0.00 C ATOM 385 CG LEU A 23 -5.059 -11.792 9.987 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.946 -12.517 9.275 1.00 0.00 C ATOM 387 CD2 LEU A 23 -5.226 -12.376 11.369 1.00 0.00 C ATOM 0 H LEU A 23 -7.003 -10.313 9.127 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.031 -9.971 11.764 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.618 -9.885 9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.833 -10.116 10.607 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.989 -11.918 9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.174 -13.582 9.232 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.847 -12.126 8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.011 -12.368 9.815 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.437 -13.442 11.290 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.309 -12.229 11.939 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.053 -11.879 11.877 1.00 0.00 H new ATOM 399 N LEU A 24 -5.890 -7.425 9.697 1.00 0.00 N ATOM 400 CA LEU A 24 -5.714 -5.990 9.560 1.00 0.00 C ATOM 401 C LEU A 24 -6.814 -5.270 10.308 1.00 0.00 C ATOM 402 O LEU A 24 -6.696 -4.078 10.601 1.00 0.00 O ATOM 403 CB LEU A 24 -5.788 -5.596 8.086 1.00 0.00 C ATOM 404 CG LEU A 24 -4.639 -6.232 7.302 1.00 0.00 C ATOM 405 CD1 LEU A 24 -4.836 -5.971 5.817 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.312 -5.636 7.751 1.00 0.00 C ATOM 0 H LEU A 24 -6.224 -7.879 8.847 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.741 -5.714 9.968 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.742 -5.914 7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.744 -4.511 7.991 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.629 -7.306 7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.018 -6.424 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.782 -6.406 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.850 -4.896 5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.499 -6.094 7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.317 -4.561 7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.169 -5.826 8.815 1.00 0.00 H new ATOM 418 N GLU A 25 -7.925 -5.979 10.505 1.00 0.00 N ATOM 419 CA GLU A 25 -9.124 -5.444 11.138 1.00 0.00 C ATOM 420 C GLU A 25 -9.927 -4.608 10.144 1.00 0.00 C ATOM 421 O GLU A 25 -10.486 -3.561 10.498 1.00 0.00 O ATOM 422 CB GLU A 25 -8.772 -4.622 12.385 1.00 0.00 C ATOM 423 CG GLU A 25 -8.153 -5.548 13.443 1.00 0.00 C ATOM 424 CD GLU A 25 -7.647 -4.747 14.629 1.00 0.00 C ATOM 425 OE1 GLU A 25 -7.829 -3.545 14.640 1.00 0.00 O ATOM 426 OE2 GLU A 25 -7.084 -5.347 15.519 1.00 0.00 O ATOM 0 H GLU A 25 -8.016 -6.955 10.224 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.741 -6.284 11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.072 -3.828 12.126 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.666 -4.142 12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.895 -6.273 13.778 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.331 -6.113 13.003 1.00 0.00 H new ATOM 433 N VAL A 26 -9.993 -5.082 8.908 1.00 0.00 N ATOM 434 CA VAL A 26 -10.765 -4.419 7.863 1.00 0.00 C ATOM 435 C VAL A 26 -11.552 -5.443 7.050 1.00 0.00 C ATOM 436 O VAL A 26 -11.241 -6.634 7.064 1.00 0.00 O ATOM 437 CB VAL A 26 -9.849 -3.585 6.948 1.00 0.00 C ATOM 438 CG1 VAL A 26 -9.190 -2.470 7.762 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.761 -4.474 6.346 1.00 0.00 C ATOM 0 H VAL A 26 -9.517 -5.931 8.601 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.472 -3.740 8.340 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.449 -3.154 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.542 -1.880 7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.960 -1.826 8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.598 -2.908 8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.118 -3.876 5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.165 -4.912 7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.223 -5.269 5.761 1.00 0.00 H new ATOM 449 N SER A 27 -12.566 -4.980 6.344 1.00 0.00 N ATOM 450 CA SER A 27 -13.375 -5.860 5.518 1.00 0.00 C ATOM 451 C SER A 27 -12.589 -6.300 4.287 1.00 0.00 C ATOM 452 O SER A 27 -11.740 -5.549 3.776 1.00 0.00 O ATOM 453 CB SER A 27 -14.681 -5.163 5.110 1.00 0.00 C ATOM 454 OG SER A 27 -15.545 -6.095 4.469 1.00 0.00 O ATOM 0 H SER A 27 -12.850 -4.001 6.325 1.00 0.00 H new ATOM 0 HA SER A 27 -13.630 -6.747 6.098 1.00 0.00 H new ATOM 0 HB2 SER A 27 -15.171 -4.745 5.989 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.466 -4.331 4.439 1.00 0.00 H new ATOM 0 HG SER A 27 -16.228 -6.397 5.103 1.00 0.00 H new ATOM 460 N ARG A 28 -12.902 -7.484 3.788 1.00 0.00 N ATOM 461 CA ARG A 28 -12.247 -8.030 2.604 1.00 0.00 C ATOM 462 C ARG A 28 -12.434 -7.106 1.412 1.00 0.00 C ATOM 463 O ARG A 28 -11.486 -6.834 0.665 1.00 0.00 O ATOM 464 CB ARG A 28 -12.808 -9.426 2.308 1.00 0.00 C ATOM 465 CG ARG A 28 -12.123 -10.047 1.087 1.00 0.00 C ATOM 466 CD ARG A 28 -12.617 -11.487 0.928 1.00 0.00 C ATOM 467 NE ARG A 28 -14.067 -11.519 0.721 1.00 0.00 N ATOM 468 CZ ARG A 28 -14.843 -12.512 1.199 1.00 0.00 C ATOM 469 NH1 ARG A 28 -14.328 -13.455 1.947 1.00 0.00 N ATOM 470 NH2 ARG A 28 -16.121 -12.516 0.943 1.00 0.00 N ATOM 0 H ARG A 28 -13.614 -8.095 4.188 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.177 -8.112 2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.666 -10.070 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.882 -9.360 2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.350 -9.469 0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.040 -10.030 1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.114 -11.958 0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.359 -12.065 1.815 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.505 -10.762 0.196 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.333 -13.441 2.172 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.922 -14.203 2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.531 -11.769 0.382 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.711 -13.266 1.303 1.00 0.00 H new ATOM 484 N GLN A 29 -13.636 -6.587 1.268 1.00 0.00 N ATOM 485 CA GLN A 29 -13.942 -5.662 0.189 1.00 0.00 C ATOM 486 C GLN A 29 -12.951 -4.514 0.188 1.00 0.00 C ATOM 487 O GLN A 29 -12.480 -4.085 -0.867 1.00 0.00 O ATOM 488 CB GLN A 29 -15.364 -5.121 0.356 1.00 0.00 C ATOM 489 CG GLN A 29 -15.504 -4.455 1.729 1.00 0.00 C ATOM 490 CD GLN A 29 -16.970 -4.348 2.110 1.00 0.00 C ATOM 491 OE1 GLN A 29 -17.771 -3.787 1.359 1.00 0.00 O ATOM 492 NE2 GLN A 29 -17.370 -4.861 3.225 1.00 0.00 N ATOM 0 H GLN A 29 -14.422 -6.789 1.886 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.869 -6.192 -0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.585 -4.401 -0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.086 -5.932 0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.967 -5.035 2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.052 -3.463 1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.703 -5.324 3.842 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.354 -4.804 3.489 1.00 0.00 H new ATOM 501 N THR A 30 -12.617 -4.035 1.372 1.00 0.00 N ATOM 502 CA THR A 30 -11.697 -2.929 1.492 1.00 0.00 C ATOM 503 C THR A 30 -10.364 -3.322 0.874 1.00 0.00 C ATOM 504 O THR A 30 -9.842 -2.630 0.000 1.00 0.00 O ATOM 505 CB THR A 30 -11.485 -2.599 2.982 1.00 0.00 C ATOM 506 OG1 THR A 30 -12.508 -3.225 3.759 1.00 0.00 O ATOM 507 CG2 THR A 30 -11.538 -1.083 3.194 1.00 0.00 C ATOM 0 H THR A 30 -12.970 -4.395 2.259 1.00 0.00 H new ATOM 0 HA THR A 30 -12.102 -2.057 0.978 1.00 0.00 H new ATOM 0 HB THR A 30 -10.509 -2.970 3.295 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.118 -3.952 4.288 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.387 -0.858 4.250 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.754 -0.606 2.606 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.510 -0.705 2.878 1.00 0.00 H new ATOM 515 N ILE A 31 -9.849 -4.461 1.299 1.00 0.00 N ATOM 516 CA ILE A 31 -8.603 -4.968 0.762 1.00 0.00 C ATOM 517 C ILE A 31 -8.724 -5.330 -0.704 1.00 0.00 C ATOM 518 O ILE A 31 -7.834 -5.021 -1.503 1.00 0.00 O ATOM 519 CB ILE A 31 -8.141 -6.187 1.579 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.731 -5.742 2.994 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.983 -6.909 0.882 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.579 -4.727 2.907 1.00 0.00 C ATOM 0 H ILE A 31 -10.275 -5.051 2.014 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.859 -4.175 0.839 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.971 -6.889 1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.583 -5.296 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.423 -6.606 3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.676 -7.767 1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.306 -7.250 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.142 -6.225 0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.292 -4.415 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.724 -5.188 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.903 -3.857 2.335 1.00 0.00 H new ATOM 534 N ASN A 32 -9.793 -6.017 -1.056 1.00 0.00 N ATOM 535 CA ASN A 32 -9.928 -6.488 -2.416 1.00 0.00 C ATOM 536 C ASN A 32 -10.172 -5.349 -3.381 1.00 0.00 C ATOM 537 O ASN A 32 -9.764 -5.417 -4.537 1.00 0.00 O ATOM 538 CB ASN A 32 -10.955 -7.630 -2.544 1.00 0.00 C ATOM 539 CG ASN A 32 -12.363 -7.130 -2.825 1.00 0.00 C ATOM 540 OD1 ASN A 32 -12.564 -6.211 -3.621 1.00 0.00 O ATOM 541 ND2 ASN A 32 -13.356 -7.689 -2.217 1.00 0.00 N ATOM 0 H ASN A 32 -10.564 -6.257 -0.433 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.972 -6.928 -2.702 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.646 -8.301 -3.345 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.959 -8.213 -1.623 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.308 -7.370 -2.395 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.188 -8.450 -1.558 1.00 0.00 H new ATOM 548 N GLY A 33 -10.767 -4.272 -2.896 1.00 0.00 N ATOM 549 CA GLY A 33 -10.946 -3.077 -3.718 1.00 0.00 C ATOM 550 C GLY A 33 -9.599 -2.398 -3.971 1.00 0.00 C ATOM 551 O GLY A 33 -9.325 -1.894 -5.076 1.00 0.00 O ATOM 0 H GLY A 33 -11.133 -4.196 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.409 -3.347 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.623 -2.383 -3.220 1.00 0.00 H new ATOM 555 N ILE A 34 -8.769 -2.353 -2.928 1.00 0.00 N ATOM 556 CA ILE A 34 -7.470 -1.700 -3.016 1.00 0.00 C ATOM 557 C ILE A 34 -6.578 -2.400 -4.028 1.00 0.00 C ATOM 558 O ILE A 34 -6.039 -1.760 -4.929 1.00 0.00 O ATOM 559 CB ILE A 34 -6.801 -1.657 -1.625 1.00 0.00 C ATOM 560 CG1 ILE A 34 -7.593 -0.715 -0.716 1.00 0.00 C ATOM 561 CG2 ILE A 34 -5.364 -1.134 -1.738 1.00 0.00 C ATOM 562 CD1 ILE A 34 -7.099 -0.847 0.725 1.00 0.00 C ATOM 0 H ILE A 34 -8.976 -2.761 -2.016 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.619 -0.676 -3.359 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.786 -2.666 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.479 0.314 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.656 -0.952 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.907 -1.110 -0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.787 -1.792 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.375 -0.128 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.667 -0.174 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.236 -1.874 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.041 -0.588 0.772 1.00 0.00 H new ATOM 574 N GLU A 35 -6.546 -3.721 -3.987 1.00 0.00 N ATOM 575 CA GLU A 35 -5.784 -4.458 -4.963 1.00 0.00 C ATOM 576 C GLU A 35 -6.362 -4.219 -6.345 1.00 0.00 C ATOM 577 O GLU A 35 -5.623 -4.107 -7.318 1.00 0.00 O ATOM 578 CB GLU A 35 -5.728 -5.953 -4.602 1.00 0.00 C ATOM 579 CG GLU A 35 -7.132 -6.503 -4.442 1.00 0.00 C ATOM 580 CD GLU A 35 -7.119 -7.914 -3.891 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.292 -8.211 -3.053 1.00 0.00 O ATOM 582 OE2 GLU A 35 -7.957 -8.685 -4.325 1.00 0.00 O ATOM 0 H GLU A 35 -7.033 -4.293 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.754 -4.101 -4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.200 -6.504 -5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.167 -6.091 -3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.703 -5.857 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.639 -6.493 -5.407 1.00 0.00 H new ATOM 589 N LYS A 36 -7.686 -4.090 -6.429 1.00 0.00 N ATOM 590 CA LYS A 36 -8.316 -3.801 -7.715 1.00 0.00 C ATOM 591 C LYS A 36 -7.933 -2.417 -8.212 1.00 0.00 C ATOM 592 O LYS A 36 -7.606 -2.250 -9.384 1.00 0.00 O ATOM 593 CB LYS A 36 -9.857 -3.913 -7.655 1.00 0.00 C ATOM 594 CG LYS A 36 -10.326 -5.355 -7.336 1.00 0.00 C ATOM 595 CD LYS A 36 -9.168 -6.356 -7.444 1.00 0.00 C ATOM 596 CE LYS A 36 -9.609 -7.728 -6.947 1.00 0.00 C ATOM 597 NZ LYS A 36 -9.855 -7.651 -5.488 1.00 0.00 N ATOM 0 H LYS A 36 -8.329 -4.179 -5.642 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.947 -4.554 -8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.240 -3.232 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.280 -3.598 -8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.746 -5.389 -6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.122 -5.641 -8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.834 -6.426 -8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.318 -6.005 -6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.514 -8.045 -7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.842 -8.472 -7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.237 -8.327 -4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.652 -6.688 -5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.849 -7.884 -5.291 1.00 0.00 H new ATOM 611 N ASN A 37 -8.002 -1.415 -7.329 1.00 0.00 N ATOM 612 CA ASN A 37 -7.691 -0.031 -7.736 1.00 0.00 C ATOM 613 C ASN A 37 -7.748 0.962 -6.582 1.00 0.00 C ATOM 614 O ASN A 37 -7.462 2.143 -6.778 1.00 0.00 O ATOM 615 CB ASN A 37 -8.666 0.445 -8.828 1.00 0.00 C ATOM 616 CG ASN A 37 -10.095 0.467 -8.282 1.00 0.00 C ATOM 617 OD1 ASN A 37 -10.621 1.532 -7.930 1.00 0.00 O ATOM 618 ND2 ASN A 37 -10.756 -0.645 -8.174 1.00 0.00 N ATOM 0 H ASN A 37 -8.263 -1.526 -6.349 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.668 -0.058 -8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.384 1.441 -9.170 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.608 -0.217 -9.692 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.705 -0.640 -7.800 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.326 -1.524 -8.463 1.00 0.00 H new ATOM 625 N LYS A 38 -8.256 0.550 -5.434 1.00 0.00 N ATOM 626 CA LYS A 38 -8.479 1.510 -4.347 1.00 0.00 C ATOM 627 C LYS A 38 -7.216 2.019 -3.708 1.00 0.00 C ATOM 628 O LYS A 38 -6.134 1.462 -3.872 1.00 0.00 O ATOM 629 CB LYS A 38 -9.482 1.013 -3.293 1.00 0.00 C ATOM 630 CG LYS A 38 -10.874 1.582 -3.607 1.00 0.00 C ATOM 631 CD LYS A 38 -11.210 1.309 -5.071 1.00 0.00 C ATOM 632 CE LYS A 38 -12.591 1.858 -5.401 1.00 0.00 C ATOM 633 NZ LYS A 38 -12.895 1.577 -6.833 1.00 0.00 N ATOM 0 H LYS A 38 -8.518 -0.413 -5.225 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.934 2.367 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.514 -0.077 -3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.165 1.325 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.621 1.125 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.895 2.654 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.463 1.771 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.180 0.237 -5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.342 1.398 -4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.625 2.931 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.492 2.337 -7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.008 1.528 -7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.398 0.670 -6.910 1.00 0.00 H new ATOM 647 N TYR A 39 -7.382 3.126 -3.018 1.00 0.00 N ATOM 648 CA TYR A 39 -6.307 3.813 -2.333 1.00 0.00 C ATOM 649 C TYR A 39 -5.412 2.827 -1.597 1.00 0.00 C ATOM 650 O TYR A 39 -5.894 1.971 -0.855 1.00 0.00 O ATOM 651 CB TYR A 39 -6.918 4.802 -1.328 1.00 0.00 C ATOM 652 CG TYR A 39 -7.851 4.040 -0.402 1.00 0.00 C ATOM 653 CD1 TYR A 39 -9.165 3.749 -0.807 1.00 0.00 C ATOM 654 CD2 TYR A 39 -7.397 3.606 0.850 1.00 0.00 C ATOM 655 CE1 TYR A 39 -10.012 3.032 0.038 1.00 0.00 C ATOM 656 CE2 TYR A 39 -8.248 2.888 1.692 1.00 0.00 C ATOM 657 CZ TYR A 39 -9.554 2.601 1.288 1.00 0.00 C ATOM 658 OH TYR A 39 -10.389 1.888 2.119 1.00 0.00 O ATOM 0 H TYR A 39 -8.287 3.584 -2.915 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.698 4.341 -3.067 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.132 5.291 -0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.464 5.586 -1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -9.519 4.080 -1.772 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.388 3.827 1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -11.022 2.809 -0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.896 2.554 2.657 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.914 1.665 2.947 1.00 0.00 H new ATOM 668 N ASN A 40 -4.115 2.984 -1.758 1.00 0.00 N ATOM 669 CA ASN A 40 -3.173 2.141 -1.043 1.00 0.00 C ATOM 670 C ASN A 40 -3.326 2.369 0.463 1.00 0.00 C ATOM 671 O ASN A 40 -3.753 3.443 0.890 1.00 0.00 O ATOM 672 CB ASN A 40 -1.733 2.387 -1.544 1.00 0.00 C ATOM 673 CG ASN A 40 -0.783 2.775 -0.416 1.00 0.00 C ATOM 674 OD1 ASN A 40 -0.336 1.918 0.343 1.00 0.00 O ATOM 675 ND2 ASN A 40 -0.430 4.016 -0.273 1.00 0.00 N ATOM 0 H ASN A 40 -3.689 3.680 -2.371 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.390 1.091 -1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.363 1.486 -2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.743 3.177 -2.295 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.218 4.280 0.469 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.801 4.728 -0.903 1.00 0.00 H new ATOM 682 N PRO A 41 -3.133 1.355 1.253 1.00 0.00 N ATOM 683 CA PRO A 41 -3.421 1.403 2.721 1.00 0.00 C ATOM 684 C PRO A 41 -2.463 2.309 3.484 1.00 0.00 C ATOM 685 O PRO A 41 -1.393 2.657 2.987 1.00 0.00 O ATOM 686 CB PRO A 41 -3.268 -0.052 3.159 1.00 0.00 C ATOM 687 CG PRO A 41 -2.301 -0.631 2.189 1.00 0.00 C ATOM 688 CD PRO A 41 -2.607 0.036 0.850 1.00 0.00 C ATOM 0 HA PRO A 41 -4.407 1.820 2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.896 -0.122 4.181 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.222 -0.578 3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.274 -0.437 2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.414 -1.713 2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.714 0.129 0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.337 -0.531 0.273 1.00 0.00 H new ATOM 696 N SER A 42 -2.854 2.696 4.685 1.00 0.00 N ATOM 697 CA SER A 42 -2.015 3.537 5.521 1.00 0.00 C ATOM 698 C SER A 42 -0.670 2.846 5.737 1.00 0.00 C ATOM 699 O SER A 42 -0.575 1.627 5.612 1.00 0.00 O ATOM 700 CB SER A 42 -2.698 3.776 6.867 1.00 0.00 C ATOM 701 OG SER A 42 -4.096 4.033 6.657 1.00 0.00 O ATOM 0 H SER A 42 -3.748 2.441 5.104 1.00 0.00 H new ATOM 0 HA SER A 42 -1.857 4.498 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.570 2.906 7.511 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.235 4.621 7.377 1.00 0.00 H new ATOM 0 HG SER A 42 -4.534 4.185 7.520 1.00 0.00 H new ATOM 707 N LEU A 43 0.371 3.613 6.016 1.00 0.00 N ATOM 708 CA LEU A 43 1.702 3.034 6.152 1.00 0.00 C ATOM 709 C LEU A 43 1.727 2.022 7.261 1.00 0.00 C ATOM 710 O LEU A 43 2.209 0.905 7.078 1.00 0.00 O ATOM 711 CB LEU A 43 2.738 4.118 6.446 1.00 0.00 C ATOM 712 CG LEU A 43 2.957 4.977 5.207 1.00 0.00 C ATOM 713 CD1 LEU A 43 3.811 6.184 5.585 1.00 0.00 C ATOM 714 CD2 LEU A 43 3.702 4.147 4.161 1.00 0.00 C ATOM 0 H LEU A 43 0.325 4.623 6.151 1.00 0.00 H new ATOM 0 HA LEU A 43 1.948 2.547 5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.401 4.740 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.679 3.660 6.753 1.00 0.00 H new ATOM 0 HG LEU A 43 2.000 5.312 4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.973 6.805 4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.299 6.767 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.772 5.843 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.866 4.750 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.663 3.829 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.109 3.270 3.903 1.00 0.00 H new ATOM 726 N GLN A 44 1.107 2.354 8.370 1.00 0.00 N ATOM 727 CA GLN A 44 1.016 1.408 9.451 1.00 0.00 C ATOM 728 C GLN A 44 0.223 0.206 8.972 1.00 0.00 C ATOM 729 O GLN A 44 0.590 -0.939 9.214 1.00 0.00 O ATOM 730 CB GLN A 44 0.309 2.036 10.651 1.00 0.00 C ATOM 731 CG GLN A 44 0.179 1.006 11.779 1.00 0.00 C ATOM 732 CD GLN A 44 -0.826 1.494 12.800 1.00 0.00 C ATOM 733 OE1 GLN A 44 -0.487 1.714 13.952 1.00 0.00 O ATOM 734 NE2 GLN A 44 -2.054 1.682 12.432 1.00 0.00 N ATOM 0 H GLN A 44 0.666 3.257 8.544 1.00 0.00 H new ATOM 0 HA GLN A 44 2.018 1.108 9.757 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.869 2.903 11.001 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.678 2.392 10.357 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.138 0.045 11.373 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.147 0.848 12.254 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.332 1.497 11.468 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.743 2.015 13.106 1.00 0.00 H new ATOM 743 N LEU A 45 -0.847 0.485 8.253 1.00 0.00 N ATOM 744 CA LEU A 45 -1.689 -0.562 7.716 1.00 0.00 C ATOM 745 C LEU A 45 -0.859 -1.411 6.757 1.00 0.00 C ATOM 746 O LEU A 45 -0.833 -2.636 6.858 1.00 0.00 O ATOM 747 CB LEU A 45 -2.902 0.066 6.995 1.00 0.00 C ATOM 748 CG LEU A 45 -4.093 -0.914 6.946 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.695 -2.201 6.236 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.556 -1.240 8.373 1.00 0.00 C ATOM 0 H LEU A 45 -1.153 1.432 8.028 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.066 -1.197 8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.201 0.980 7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.619 0.349 5.981 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.907 -0.444 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.547 -2.881 6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.382 -1.973 5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.871 -2.672 6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.397 -1.932 8.333 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.736 -1.697 8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.865 -0.322 8.874 1.00 0.00 H new ATOM 762 N ALA A 46 -0.073 -0.749 5.924 1.00 0.00 N ATOM 763 CA ALA A 46 0.833 -1.449 5.028 1.00 0.00 C ATOM 764 C ALA A 46 1.819 -2.280 5.832 1.00 0.00 C ATOM 765 O ALA A 46 2.050 -3.449 5.526 1.00 0.00 O ATOM 766 CB ALA A 46 1.583 -0.452 4.137 1.00 0.00 C ATOM 0 H ALA A 46 -0.044 0.268 5.849 1.00 0.00 H new ATOM 0 HA ALA A 46 0.250 -2.112 4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.257 -0.993 3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.867 0.116 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.160 0.231 4.761 1.00 0.00 H new ATOM 772 N LEU A 47 2.332 -1.700 6.914 1.00 0.00 N ATOM 773 CA LEU A 47 3.227 -2.431 7.803 1.00 0.00 C ATOM 774 C LEU A 47 2.493 -3.609 8.411 1.00 0.00 C ATOM 775 O LEU A 47 3.012 -4.726 8.438 1.00 0.00 O ATOM 776 CB LEU A 47 3.777 -1.525 8.915 1.00 0.00 C ATOM 777 CG LEU A 47 4.732 -0.478 8.315 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.166 0.510 9.399 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.969 -1.171 7.739 1.00 0.00 C ATOM 0 H LEU A 47 2.145 -0.737 7.193 1.00 0.00 H new ATOM 0 HA LEU A 47 4.072 -2.789 7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.955 -1.027 9.430 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.302 -2.125 9.658 1.00 0.00 H new ATOM 0 HG LEU A 47 4.213 0.058 7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.842 1.249 8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.289 1.014 9.805 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.677 -0.028 10.198 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.641 -0.424 7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.484 -1.714 8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.665 -1.869 6.959 1.00 0.00 H new ATOM 791 N LYS A 48 1.241 -3.380 8.806 1.00 0.00 N ATOM 792 CA LYS A 48 0.411 -4.462 9.318 1.00 0.00 C ATOM 793 C LYS A 48 0.228 -5.515 8.243 1.00 0.00 C ATOM 794 O LYS A 48 0.338 -6.713 8.515 1.00 0.00 O ATOM 795 CB LYS A 48 -0.970 -3.924 9.745 1.00 0.00 C ATOM 796 CG LYS A 48 -0.844 -3.080 11.028 1.00 0.00 C ATOM 797 CD LYS A 48 -2.216 -2.478 11.386 1.00 0.00 C ATOM 798 CE LYS A 48 -2.133 -1.722 12.725 1.00 0.00 C ATOM 799 NZ LYS A 48 -2.228 -2.684 13.845 1.00 0.00 N ATOM 0 H LYS A 48 0.787 -2.467 8.781 1.00 0.00 H new ATOM 0 HA LYS A 48 0.905 -4.901 10.185 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.395 -3.319 8.944 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.655 -4.755 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.482 -3.699 11.849 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.113 -2.285 10.882 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.541 -1.800 10.597 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.962 -3.270 11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.195 -1.170 12.785 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.938 -0.990 12.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.172 -2.172 14.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.134 -3.192 13.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.445 -3.366 13.784 1.00 0.00 H new ATOM 813 N ILE A 49 -0.028 -5.071 7.018 1.00 0.00 N ATOM 814 CA ILE A 49 -0.186 -6.004 5.920 1.00 0.00 C ATOM 815 C ILE A 49 1.119 -6.738 5.696 1.00 0.00 C ATOM 816 O ILE A 49 1.155 -7.966 5.659 1.00 0.00 O ATOM 817 CB ILE A 49 -0.584 -5.260 4.626 1.00 0.00 C ATOM 818 CG1 ILE A 49 -1.967 -4.642 4.798 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.623 -6.239 3.440 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.292 -3.760 3.593 1.00 0.00 C ATOM 0 H ILE A 49 -0.128 -4.087 6.767 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.975 -6.712 6.172 1.00 0.00 H new ATOM 0 HB ILE A 49 0.153 -4.481 4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.716 -5.427 4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.000 -4.051 5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.905 -5.702 2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.362 -6.687 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.354 -7.023 3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.281 -3.320 3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.550 -2.966 3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.277 -4.364 2.686 1.00 0.00 H new ATOM 832 N ALA A 50 2.199 -5.982 5.619 1.00 0.00 N ATOM 833 CA ALA A 50 3.505 -6.564 5.394 1.00 0.00 C ATOM 834 C ALA A 50 3.891 -7.466 6.534 1.00 0.00 C ATOM 835 O ALA A 50 4.481 -8.535 6.319 1.00 0.00 O ATOM 836 CB ALA A 50 4.552 -5.470 5.231 1.00 0.00 C ATOM 0 H ALA A 50 2.196 -4.966 5.709 1.00 0.00 H new ATOM 0 HA ALA A 50 3.458 -7.155 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.529 -5.923 5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.292 -4.841 4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.586 -4.861 6.134 1.00 0.00 H new ATOM 842 N TYR A 51 3.615 -7.026 7.748 1.00 0.00 N ATOM 843 CA TYR A 51 4.017 -7.789 8.906 1.00 0.00 C ATOM 844 C TYR A 51 3.373 -9.159 8.914 1.00 0.00 C ATOM 845 O TYR A 51 4.071 -10.165 8.918 1.00 0.00 O ATOM 846 CB TYR A 51 3.660 -7.042 10.193 1.00 0.00 C ATOM 847 CG TYR A 51 3.985 -7.921 11.374 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.315 -8.125 11.744 1.00 0.00 C ATOM 849 CD2 TYR A 51 2.956 -8.540 12.091 1.00 0.00 C ATOM 850 CE1 TYR A 51 5.621 -8.946 12.824 1.00 0.00 C ATOM 851 CE2 TYR A 51 3.264 -9.363 13.175 1.00 0.00 C ATOM 852 CZ TYR A 51 4.597 -9.564 13.540 1.00 0.00 C ATOM 853 OH TYR A 51 4.907 -10.383 14.601 1.00 0.00 O ATOM 0 H TYR A 51 3.121 -6.157 7.952 1.00 0.00 H new ATOM 0 HA TYR A 51 5.098 -7.918 8.855 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.218 -6.108 10.254 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.601 -6.782 10.197 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.108 -7.644 11.191 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.926 -8.382 11.807 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.651 -9.105 13.108 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.473 -9.844 13.731 1.00 0.00 H new ATOM 0 HH TYR A 51 4.081 -10.735 14.995 1.00 0.00 H new ATOM 863 N TYR A 52 2.049 -9.208 8.813 1.00 0.00 N ATOM 864 CA TYR A 52 1.373 -10.496 8.734 1.00 0.00 C ATOM 865 C TYR A 52 1.676 -11.212 7.433 1.00 0.00 C ATOM 866 O TYR A 52 1.924 -12.421 7.411 1.00 0.00 O ATOM 867 CB TYR A 52 -0.137 -10.383 8.933 1.00 0.00 C ATOM 868 CG TYR A 52 -0.727 -11.759 8.717 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.497 -12.774 9.658 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.478 -12.030 7.568 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.019 -14.052 9.449 1.00 0.00 C ATOM 872 CE2 TYR A 52 -2.004 -13.311 7.365 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.774 -14.319 8.303 1.00 0.00 C ATOM 874 OH TYR A 52 -2.281 -15.583 8.090 1.00 0.00 O ATOM 0 H TYR A 52 1.436 -8.393 8.784 1.00 0.00 H new ATOM 0 HA TYR A 52 1.770 -11.090 9.558 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.366 -10.021 9.935 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.564 -9.668 8.230 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.084 -12.567 10.544 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.651 -11.252 6.839 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.840 -14.834 10.172 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.589 -13.520 6.481 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.065 -15.527 7.505 1.00 0.00 H new ATOM 884 N LEU A 53 1.577 -10.478 6.343 1.00 0.00 N ATOM 885 CA LEU A 53 1.766 -11.051 5.023 1.00 0.00 C ATOM 886 C LEU A 53 3.176 -11.614 4.910 1.00 0.00 C ATOM 887 O LEU A 53 3.438 -12.519 4.116 1.00 0.00 O ATOM 888 CB LEU A 53 1.476 -9.999 3.929 1.00 0.00 C ATOM 889 CG LEU A 53 1.122 -10.655 2.582 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.379 -11.158 1.895 1.00 0.00 C ATOM 891 CD2 LEU A 53 0.135 -11.811 2.778 1.00 0.00 C ATOM 0 H LEU A 53 1.366 -9.480 6.344 1.00 0.00 H new ATOM 0 HA LEU A 53 1.061 -11.869 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.653 -9.360 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.348 -9.357 3.802 1.00 0.00 H new ATOM 0 HG LEU A 53 0.649 -9.901 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.114 -11.620 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.056 -10.322 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.871 -11.894 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.099 -12.257 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.581 -12.564 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.780 -11.434 3.235 1.00 0.00 H new ATOM 903 N ASN A 54 4.087 -11.065 5.702 1.00 0.00 N ATOM 904 CA ASN A 54 5.478 -11.500 5.693 1.00 0.00 C ATOM 905 C ASN A 54 6.079 -11.238 4.325 1.00 0.00 C ATOM 906 O ASN A 54 6.398 -12.179 3.571 1.00 0.00 O ATOM 907 CB ASN A 54 5.611 -12.997 6.043 1.00 0.00 C ATOM 908 CG ASN A 54 5.091 -13.311 7.449 1.00 0.00 C ATOM 909 OD1 ASN A 54 4.881 -14.487 7.782 1.00 0.00 O ATOM 910 ND2 ASN A 54 4.870 -12.363 8.295 1.00 0.00 N ATOM 0 H ASN A 54 3.887 -10.314 6.362 1.00 0.00 H new ATOM 0 HA ASN A 54 6.015 -10.933 6.453 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.060 -13.589 5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.657 -13.294 5.970 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.525 -12.583 9.229 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.040 -11.393 8.030 1.00 0.00 H new ATOM 917 N THR A 55 6.087 -9.978 3.938 1.00 0.00 N ATOM 918 CA THR A 55 6.557 -9.576 2.627 1.00 0.00 C ATOM 919 C THR A 55 6.874 -8.075 2.622 1.00 0.00 C ATOM 920 O THR A 55 6.185 -7.292 3.279 1.00 0.00 O ATOM 921 CB THR A 55 5.496 -9.926 1.567 1.00 0.00 C ATOM 922 OG1 THR A 55 5.360 -11.347 1.489 1.00 0.00 O ATOM 923 CG2 THR A 55 5.895 -9.374 0.195 1.00 0.00 C ATOM 0 H THR A 55 5.768 -9.205 4.522 1.00 0.00 H new ATOM 0 HA THR A 55 7.473 -10.114 2.385 1.00 0.00 H new ATOM 0 HB THR A 55 4.547 -9.475 1.858 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.129 -11.773 1.921 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.131 -9.633 -0.538 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.989 -8.290 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.849 -9.806 -0.107 1.00 0.00 H new ATOM 931 N PRO A 56 7.901 -7.669 1.908 1.00 0.00 N ATOM 932 CA PRO A 56 8.302 -6.232 1.806 1.00 0.00 C ATOM 933 C PRO A 56 7.191 -5.372 1.216 1.00 0.00 C ATOM 934 O PRO A 56 6.397 -5.843 0.396 1.00 0.00 O ATOM 935 CB PRO A 56 9.509 -6.257 0.863 1.00 0.00 C ATOM 936 CG PRO A 56 10.025 -7.654 0.933 1.00 0.00 C ATOM 937 CD PRO A 56 8.799 -8.534 1.120 1.00 0.00 C ATOM 0 HA PRO A 56 8.521 -5.800 2.783 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.220 -5.994 -0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.268 -5.540 1.175 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.563 -7.919 0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.723 -7.773 1.762 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.354 -8.818 0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.039 -9.457 1.648 1.00 0.00 H new ATOM 945 N LEU A 57 7.139 -4.120 1.635 1.00 0.00 N ATOM 946 CA LEU A 57 6.100 -3.209 1.181 1.00 0.00 C ATOM 947 C LEU A 57 6.150 -3.016 -0.318 1.00 0.00 C ATOM 948 O LEU A 57 5.117 -2.968 -0.966 1.00 0.00 O ATOM 949 CB LEU A 57 6.207 -1.846 1.884 1.00 0.00 C ATOM 950 CG LEU A 57 5.516 -1.883 3.256 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.032 -2.206 3.087 1.00 0.00 C ATOM 952 CD2 LEU A 57 6.164 -2.939 4.147 1.00 0.00 C ATOM 0 H LEU A 57 7.805 -3.709 2.290 1.00 0.00 H new ATOM 0 HA LEU A 57 5.144 -3.663 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.256 -1.577 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.751 -1.075 1.263 1.00 0.00 H new ATOM 0 HG LEU A 57 5.624 -0.904 3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.551 -2.230 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.561 -1.441 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.924 -3.178 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.664 -2.954 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.073 -3.918 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.218 -2.700 4.286 1.00 0.00 H new ATOM 964 N GLU A 58 7.340 -2.900 -0.866 1.00 0.00 N ATOM 965 CA GLU A 58 7.486 -2.688 -2.298 1.00 0.00 C ATOM 966 C GLU A 58 6.803 -3.797 -3.078 1.00 0.00 C ATOM 967 O GLU A 58 6.134 -3.543 -4.084 1.00 0.00 O ATOM 968 CB GLU A 58 8.970 -2.624 -2.683 1.00 0.00 C ATOM 969 CG GLU A 58 9.790 -3.565 -1.781 1.00 0.00 C ATOM 970 CD GLU A 58 10.462 -2.768 -0.691 1.00 0.00 C ATOM 971 OE1 GLU A 58 11.409 -2.078 -0.992 1.00 0.00 O ATOM 972 OE2 GLU A 58 10.025 -2.858 0.433 1.00 0.00 O ATOM 0 H GLU A 58 8.218 -2.948 -0.349 1.00 0.00 H new ATOM 0 HA GLU A 58 7.012 -1.739 -2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.096 -2.908 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.336 -1.602 -2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.140 -4.322 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.538 -4.092 -2.374 1.00 0.00 H new ATOM 979 N ASP A 59 6.987 -5.027 -2.635 1.00 0.00 N ATOM 980 CA ASP A 59 6.392 -6.154 -3.329 1.00 0.00 C ATOM 981 C ASP A 59 4.894 -6.034 -3.287 1.00 0.00 C ATOM 982 O ASP A 59 4.211 -6.155 -4.309 1.00 0.00 O ATOM 983 CB ASP A 59 6.799 -7.474 -2.675 1.00 0.00 C ATOM 984 CG ASP A 59 6.597 -8.630 -3.636 1.00 0.00 C ATOM 985 OD1 ASP A 59 6.883 -8.465 -4.813 1.00 0.00 O ATOM 986 OD2 ASP A 59 6.183 -9.670 -3.193 1.00 0.00 O ATOM 0 H ASP A 59 7.535 -5.269 -1.810 1.00 0.00 H new ATOM 0 HA ASP A 59 6.745 -6.146 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.844 -7.427 -2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.209 -7.636 -1.773 1.00 0.00 H new ATOM 991 N ILE A 60 4.391 -5.807 -2.091 1.00 0.00 N ATOM 992 CA ILE A 60 2.981 -5.666 -1.871 1.00 0.00 C ATOM 993 C ILE A 60 2.480 -4.400 -2.549 1.00 0.00 C ATOM 994 O ILE A 60 1.453 -4.405 -3.245 1.00 0.00 O ATOM 995 CB ILE A 60 2.711 -5.618 -0.366 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.321 -6.859 0.302 1.00 0.00 C ATOM 997 CG2 ILE A 60 1.215 -5.680 -0.148 1.00 0.00 C ATOM 998 CD1 ILE A 60 3.231 -6.722 1.824 1.00 0.00 C ATOM 0 H ILE A 60 4.957 -5.716 -1.247 1.00 0.00 H new ATOM 0 HA ILE A 60 2.450 -6.517 -2.299 1.00 0.00 H new ATOM 0 HB ILE A 60 3.140 -4.708 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.794 -7.756 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.362 -6.973 -0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.001 -5.647 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.740 -4.831 -0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.824 -6.607 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.665 -7.604 2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.778 -5.835 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.186 -6.629 2.120 1.00 0.00 H new ATOM 1010 N PHE A 61 3.225 -3.323 -2.361 1.00 0.00 N ATOM 1011 CA PHE A 61 2.893 -2.050 -2.949 1.00 0.00 C ATOM 1012 C PHE A 61 4.046 -1.520 -3.786 1.00 0.00 C ATOM 1013 O PHE A 61 4.890 -0.764 -3.304 1.00 0.00 O ATOM 1014 CB PHE A 61 2.487 -1.045 -1.861 1.00 0.00 C ATOM 1015 CG PHE A 61 1.278 -1.594 -1.132 1.00 0.00 C ATOM 1016 CD1 PHE A 61 0.005 -1.478 -1.704 1.00 0.00 C ATOM 1017 CD2 PHE A 61 1.432 -2.239 0.101 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -1.110 -2.000 -1.047 1.00 0.00 C ATOM 1019 CE2 PHE A 61 0.310 -2.766 0.757 1.00 0.00 C ATOM 1020 CZ PHE A 61 -0.960 -2.646 0.182 1.00 0.00 C ATOM 0 H PHE A 61 4.074 -3.314 -1.796 1.00 0.00 H new ATOM 0 HA PHE A 61 2.041 -2.191 -3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.310 -0.886 -1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.255 -0.077 -2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.114 -0.983 -2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.412 -2.330 0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.090 -1.904 -1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.426 -3.265 1.708 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.823 -3.052 0.688 1.00 0.00 H new