USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 799 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 43 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 162:sc= -0.979 (180deg=-1.47!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.007 USER MOD Single : A 11 SER OG : rot -43:sc= 0.649 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 13 TYR OH : rot 69:sc= 1.66 USER MOD Single : A 15 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.9!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0623 K(o=-0.062,f=-1.8!) USER MOD Single : A 23 LYS NZ :NH3+ -121:sc=-0.00198 (180deg=-0.352) USER MOD Single : A 24 SER OG : rot 33:sc= 0.145 USER MOD Single : A 27 CYS SG : rot -32:sc= -2.25! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.94! K(o=-2.9!,f=-0.65) USER MOD Single : A 33 HIS : no HE2:sc= -1.94! C(o=-1.9!,f=-7.1!) USER MOD Single : A 35 HIS : no HD1:sc= -2.1! C(o=-2.1!,f=-3.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.558 K(o=-0.56,f=-3.9!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 51 SER OG : rot 56:sc= 0.65 USER MOD Single : A 55 CYS SG : rot 49:sc= -3.86! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-1.1) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 24:sc= 0.512 USER MOD Single : A 73 HIS : no HE2:sc= 0.00113 K(o=0.0011,f=-0.56) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -155:sc= -0.202 (180deg=-0.26) USER MOD Single : A 84 LYS NZ :NH3+ 147:sc= -0.955 (180deg=-2.5!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.164 USER MOD Single : A 86 SER OG : rot 180:sc= -0.154 USER MOD Single : A 89 MET CE :methyl -149:sc= -1.09 (180deg=-4.3!) USER MOD Single : A 91 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=-0.012) USER MOD Single : A 98 SER OG : rot -63:sc= 1.09 USER MOD Single : A 100 SER OG : rot 60:sc= 0.883 USER MOD Single : A 102 SER OG : rot -18:sc= 0.54 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.809 -10.601 6.839 1.00 0.00 N ATOM 2 CA GLY A 1 -17.602 -11.813 6.925 1.00 0.00 C ATOM 3 C GLY A 1 -18.060 -12.107 8.340 1.00 0.00 C ATOM 4 O GLY A 1 -19.224 -11.897 8.680 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.273 -10.599 5.947 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.437 -9.772 6.867 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.147 -10.562 7.640 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.473 -11.720 6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.016 -12.654 6.554 1.00 0.00 H new ATOM 8 N SER A 2 -17.142 -12.596 9.168 1.00 0.00 N ATOM 9 CA SER A 2 -17.458 -12.924 10.553 1.00 0.00 C ATOM 10 C SER A 2 -17.401 -11.679 11.433 1.00 0.00 C ATOM 11 O SER A 2 -16.322 -11.217 11.804 1.00 0.00 O ATOM 12 CB SER A 2 -16.489 -13.982 11.083 1.00 0.00 C ATOM 13 OG SER A 2 -16.837 -15.274 10.613 1.00 0.00 O ATOM 0 H SER A 2 -16.173 -12.774 8.903 1.00 0.00 H new ATOM 0 HA SER A 2 -18.472 -13.323 10.583 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.474 -13.739 10.770 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.497 -13.974 12.173 1.00 0.00 H new ATOM 0 HG SER A 2 -16.201 -15.932 10.964 1.00 0.00 H new ATOM 19 N SER A 3 -18.570 -11.142 11.764 1.00 0.00 N ATOM 20 CA SER A 3 -18.655 -9.948 12.598 1.00 0.00 C ATOM 21 C SER A 3 -18.692 -10.320 14.077 1.00 0.00 C ATOM 22 O SER A 3 -19.759 -10.555 14.642 1.00 0.00 O ATOM 23 CB SER A 3 -19.897 -9.133 12.233 1.00 0.00 C ATOM 24 OG SER A 3 -20.081 -8.054 13.134 1.00 0.00 O ATOM 0 H SER A 3 -19.472 -11.514 11.468 1.00 0.00 H new ATOM 0 HA SER A 3 -17.767 -9.343 12.416 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.799 -8.750 11.217 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.776 -9.777 12.248 1.00 0.00 H new ATOM 0 HG SER A 3 -20.880 -7.547 12.879 1.00 0.00 H new ATOM 30 N GLY A 4 -17.518 -10.372 14.698 1.00 0.00 N ATOM 31 CA GLY A 4 -17.438 -10.716 16.105 1.00 0.00 C ATOM 32 C GLY A 4 -16.065 -11.225 16.501 1.00 0.00 C ATOM 33 O GLY A 4 -15.947 -12.180 17.267 1.00 0.00 O ATOM 0 H GLY A 4 -16.621 -10.182 14.252 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.684 -9.840 16.705 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.184 -11.478 16.333 1.00 0.00 H new ATOM 37 N SER A 5 -15.025 -10.585 15.975 1.00 0.00 N ATOM 38 CA SER A 5 -13.654 -10.982 16.273 1.00 0.00 C ATOM 39 C SER A 5 -12.766 -9.758 16.474 1.00 0.00 C ATOM 40 O SER A 5 -12.458 -9.038 15.524 1.00 0.00 O ATOM 41 CB SER A 5 -13.096 -11.852 15.145 1.00 0.00 C ATOM 42 OG SER A 5 -11.875 -12.461 15.528 1.00 0.00 O ATOM 0 H SER A 5 -15.106 -9.790 15.341 1.00 0.00 H new ATOM 0 HA SER A 5 -13.661 -11.560 17.197 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.822 -12.621 14.881 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.939 -11.243 14.255 1.00 0.00 H new ATOM 0 HG SER A 5 -11.539 -13.013 14.791 1.00 0.00 H new ATOM 48 N SER A 6 -12.357 -9.529 17.717 1.00 0.00 N ATOM 49 CA SER A 6 -11.507 -8.390 18.045 1.00 0.00 C ATOM 50 C SER A 6 -10.032 -8.774 17.973 1.00 0.00 C ATOM 51 O SER A 6 -9.670 -9.932 18.174 1.00 0.00 O ATOM 52 CB SER A 6 -11.841 -7.863 19.442 1.00 0.00 C ATOM 53 OG SER A 6 -13.140 -7.300 19.478 1.00 0.00 O ATOM 0 H SER A 6 -12.600 -10.117 18.514 1.00 0.00 H new ATOM 0 HA SER A 6 -11.696 -7.605 17.313 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.773 -8.675 20.166 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.108 -7.112 19.736 1.00 0.00 H new ATOM 0 HG SER A 6 -13.330 -6.972 20.382 1.00 0.00 H new ATOM 59 N GLY A 7 -9.184 -7.791 17.684 1.00 0.00 N ATOM 60 CA GLY A 7 -7.759 -8.045 17.590 1.00 0.00 C ATOM 61 C GLY A 7 -7.266 -8.060 16.156 1.00 0.00 C ATOM 62 O GLY A 7 -6.645 -9.028 15.715 1.00 0.00 O ATOM 0 H GLY A 7 -9.459 -6.824 17.513 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.219 -7.280 18.149 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.532 -9.002 18.059 1.00 0.00 H new ATOM 66 N LEU A 8 -7.544 -6.986 15.426 1.00 0.00 N ATOM 67 CA LEU A 8 -7.126 -6.879 14.032 1.00 0.00 C ATOM 68 C LEU A 8 -5.907 -5.971 13.897 1.00 0.00 C ATOM 69 O LEU A 8 -4.942 -6.310 13.214 1.00 0.00 O ATOM 70 CB LEU A 8 -8.273 -6.342 13.175 1.00 0.00 C ATOM 71 CG LEU A 8 -8.183 -6.632 11.676 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.559 -6.549 11.033 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.219 -5.666 11.003 1.00 0.00 C ATOM 0 H LEU A 8 -8.057 -6.177 15.776 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.855 -7.875 13.682 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.207 -6.760 13.550 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.329 -5.262 13.313 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.803 -7.645 11.543 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.475 -6.758 9.967 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.221 -7.281 11.495 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.967 -5.549 11.176 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.167 -5.887 9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.570 -4.644 11.145 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.228 -5.774 11.444 1.00 0.00 H new ATOM 85 N GLU A 9 -5.960 -4.817 14.555 1.00 0.00 N ATOM 86 CA GLU A 9 -4.860 -3.861 14.509 1.00 0.00 C ATOM 87 C GLU A 9 -4.455 -3.567 13.067 1.00 0.00 C ATOM 88 O GLU A 9 -3.269 -3.472 12.750 1.00 0.00 O ATOM 89 CB GLU A 9 -3.657 -4.396 15.289 1.00 0.00 C ATOM 90 CG GLU A 9 -3.951 -4.658 16.756 1.00 0.00 C ATOM 91 CD GLU A 9 -4.956 -5.775 16.960 1.00 0.00 C ATOM 92 OE1 GLU A 9 -4.598 -6.947 16.719 1.00 0.00 O ATOM 93 OE2 GLU A 9 -6.100 -5.477 17.360 1.00 0.00 O ATOM 0 H GLU A 9 -6.752 -4.522 15.126 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.199 -2.933 14.970 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.316 -5.321 14.825 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.838 -3.681 15.213 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.023 -4.911 17.269 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.330 -3.745 17.215 1.00 0.00 H new ATOM 100 N THR A 10 -5.449 -3.423 12.197 1.00 0.00 N ATOM 101 CA THR A 10 -5.199 -3.142 10.789 1.00 0.00 C ATOM 102 C THR A 10 -3.932 -3.839 10.306 1.00 0.00 C ATOM 103 O THR A 10 -3.159 -3.276 9.531 1.00 0.00 O ATOM 104 CB THR A 10 -5.067 -1.628 10.534 1.00 0.00 C ATOM 105 OG1 THR A 10 -3.979 -1.095 11.297 1.00 0.00 O ATOM 106 CG2 THR A 10 -6.354 -0.904 10.901 1.00 0.00 C ATOM 0 H THR A 10 -6.436 -3.496 12.443 1.00 0.00 H new ATOM 0 HA THR A 10 -6.055 -3.524 10.233 1.00 0.00 H new ATOM 0 HB THR A 10 -4.873 -1.476 9.472 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.901 -0.133 11.128 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.237 0.163 10.713 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.174 -1.292 10.297 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.573 -1.064 11.957 1.00 0.00 H new ATOM 114 N SER A 11 -3.725 -5.068 10.769 1.00 0.00 N ATOM 115 CA SER A 11 -2.550 -5.841 10.386 1.00 0.00 C ATOM 116 C SER A 11 -2.948 -7.236 9.914 1.00 0.00 C ATOM 117 O SER A 11 -2.311 -8.228 10.269 1.00 0.00 O ATOM 118 CB SER A 11 -1.577 -5.946 11.562 1.00 0.00 C ATOM 119 OG SER A 11 -2.112 -6.755 12.595 1.00 0.00 O ATOM 0 H SER A 11 -4.356 -5.549 11.410 1.00 0.00 H new ATOM 0 HA SER A 11 -2.058 -5.324 9.562 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.631 -6.366 11.219 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.362 -4.950 11.950 1.00 0.00 H new ATOM 0 HG SER A 11 -3.057 -6.533 12.728 1.00 0.00 H new ATOM 125 N SER A 12 -4.005 -7.303 9.111 1.00 0.00 N ATOM 126 CA SER A 12 -4.491 -8.577 8.593 1.00 0.00 C ATOM 127 C SER A 12 -3.672 -9.019 7.384 1.00 0.00 C ATOM 128 O SER A 12 -2.998 -8.210 6.747 1.00 0.00 O ATOM 129 CB SER A 12 -5.968 -8.465 8.209 1.00 0.00 C ATOM 130 OG SER A 12 -6.790 -8.387 9.361 1.00 0.00 O ATOM 0 H SER A 12 -4.541 -6.491 8.805 1.00 0.00 H new ATOM 0 HA SER A 12 -4.382 -9.326 9.378 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.120 -7.581 7.590 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.258 -9.328 7.610 1.00 0.00 H new ATOM 0 HG SER A 12 -7.729 -8.314 9.089 1.00 0.00 H new ATOM 136 N TYR A 13 -3.737 -10.309 7.074 1.00 0.00 N ATOM 137 CA TYR A 13 -3.000 -10.862 5.944 1.00 0.00 C ATOM 138 C TYR A 13 -3.676 -10.501 4.625 1.00 0.00 C ATOM 139 O TYR A 13 -4.891 -10.639 4.478 1.00 0.00 O ATOM 140 CB TYR A 13 -2.889 -12.382 6.074 1.00 0.00 C ATOM 141 CG TYR A 13 -1.701 -12.834 6.891 1.00 0.00 C ATOM 142 CD1 TYR A 13 -0.416 -12.407 6.580 1.00 0.00 C ATOM 143 CD2 TYR A 13 -1.862 -13.690 7.974 1.00 0.00 C ATOM 144 CE1 TYR A 13 0.674 -12.818 7.324 1.00 0.00 C ATOM 145 CE2 TYR A 13 -0.778 -14.105 8.724 1.00 0.00 C ATOM 146 CZ TYR A 13 0.487 -13.667 8.395 1.00 0.00 C ATOM 147 OH TYR A 13 1.569 -14.079 9.138 1.00 0.00 O ATOM 0 H TYR A 13 -4.293 -10.991 7.590 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.999 -10.430 5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.801 -12.767 6.531 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.822 -12.820 5.078 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.266 -11.742 5.742 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.851 -14.037 8.234 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.666 -12.476 7.068 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.921 -14.769 9.564 1.00 0.00 H new ATOM 0 HH TYR A 13 1.931 -13.318 9.639 1.00 0.00 H new ATOM 157 N LEU A 14 -2.880 -10.039 3.667 1.00 0.00 N ATOM 158 CA LEU A 14 -3.399 -9.659 2.357 1.00 0.00 C ATOM 159 C LEU A 14 -2.557 -10.266 1.240 1.00 0.00 C ATOM 160 O LEU A 14 -1.388 -10.594 1.439 1.00 0.00 O ATOM 161 CB LEU A 14 -3.426 -8.136 2.221 1.00 0.00 C ATOM 162 CG LEU A 14 -4.715 -7.444 2.668 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.576 -5.934 2.557 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.897 -7.935 1.845 1.00 0.00 C ATOM 0 H LEU A 14 -1.873 -9.918 3.772 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.415 -10.044 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.598 -7.725 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.244 -7.881 1.177 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.896 -7.696 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.502 -5.459 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.756 -5.597 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.370 -5.663 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.805 -7.432 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.724 -7.714 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.010 -9.011 1.976 1.00 0.00 H new ATOM 176 N ASN A 15 -3.160 -10.412 0.064 1.00 0.00 N ATOM 177 CA ASN A 15 -2.465 -10.979 -1.086 1.00 0.00 C ATOM 178 C ASN A 15 -1.824 -9.880 -1.929 1.00 0.00 C ATOM 179 O ASN A 15 -2.515 -9.131 -2.620 1.00 0.00 O ATOM 180 CB ASN A 15 -3.434 -11.796 -1.942 1.00 0.00 C ATOM 181 CG ASN A 15 -3.489 -13.252 -1.524 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.516 -13.797 -1.002 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.631 -13.890 -1.751 1.00 0.00 N ATOM 0 H ASN A 15 -4.128 -10.146 -0.117 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.677 -11.635 -0.717 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.432 -11.363 -1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.133 -11.732 -2.988 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.727 -14.871 -1.490 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.412 -13.399 -2.186 1.00 0.00 H new ATOM 190 N VAL A 16 -0.499 -9.792 -1.869 1.00 0.00 N ATOM 191 CA VAL A 16 0.235 -8.787 -2.629 1.00 0.00 C ATOM 192 C VAL A 16 0.720 -9.351 -3.960 1.00 0.00 C ATOM 193 O VAL A 16 1.667 -10.137 -4.005 1.00 0.00 O ATOM 194 CB VAL A 16 1.445 -8.258 -1.836 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.234 -7.260 -2.669 1.00 0.00 C ATOM 196 CG2 VAL A 16 0.990 -7.631 -0.527 1.00 0.00 C ATOM 0 H VAL A 16 0.088 -10.404 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.455 -7.964 -2.816 1.00 0.00 H new ATOM 0 HB VAL A 16 2.100 -9.097 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.085 -6.897 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.592 -7.746 -3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.592 -6.421 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.857 -7.262 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.314 -6.802 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.472 -8.379 0.074 1.00 0.00 H new ATOM 206 N LEU A 17 0.066 -8.944 -5.042 1.00 0.00 N ATOM 207 CA LEU A 17 0.431 -9.407 -6.376 1.00 0.00 C ATOM 208 C LEU A 17 1.934 -9.280 -6.605 1.00 0.00 C ATOM 209 O LEU A 17 2.527 -8.234 -6.340 1.00 0.00 O ATOM 210 CB LEU A 17 -0.327 -8.610 -7.439 1.00 0.00 C ATOM 211 CG LEU A 17 -0.333 -9.206 -8.848 1.00 0.00 C ATOM 212 CD1 LEU A 17 -0.974 -10.585 -8.841 1.00 0.00 C ATOM 213 CD2 LEU A 17 -1.060 -8.283 -9.814 1.00 0.00 C ATOM 0 H LEU A 17 -0.720 -8.294 -5.022 1.00 0.00 H new ATOM 0 HA LEU A 17 0.158 -10.459 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.360 -8.495 -7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.104 -7.610 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 17 0.699 -9.309 -9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.970 -10.993 -9.852 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.411 -11.245 -8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.002 -10.507 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.054 -8.723 -10.811 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.090 -8.148 -9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.558 -7.316 -9.841 1.00 0.00 H new ATOM 225 N VAL A 18 2.545 -10.353 -7.099 1.00 0.00 N ATOM 226 CA VAL A 18 3.978 -10.361 -7.367 1.00 0.00 C ATOM 227 C VAL A 18 4.289 -11.086 -8.671 1.00 0.00 C ATOM 228 O VAL A 18 3.897 -12.237 -8.862 1.00 0.00 O ATOM 229 CB VAL A 18 4.759 -11.030 -6.220 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.233 -11.151 -6.578 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.578 -10.250 -4.927 1.00 0.00 C ATOM 0 H VAL A 18 2.070 -11.228 -7.321 1.00 0.00 H new ATOM 0 HA VAL A 18 4.291 -9.320 -7.451 1.00 0.00 H new ATOM 0 HB VAL A 18 4.362 -12.034 -6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.769 -11.626 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.340 -11.756 -7.479 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.647 -10.158 -6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.136 -10.737 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.947 -9.233 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.520 -10.220 -4.665 1.00 0.00 H new ATOM 241 N ASN A 19 4.998 -10.406 -9.566 1.00 0.00 N ATOM 242 CA ASN A 19 5.363 -10.986 -10.853 1.00 0.00 C ATOM 243 C ASN A 19 4.202 -11.782 -11.440 1.00 0.00 C ATOM 244 O ASN A 19 4.360 -12.942 -11.821 1.00 0.00 O ATOM 245 CB ASN A 19 6.589 -11.888 -10.700 1.00 0.00 C ATOM 246 CG ASN A 19 7.890 -11.135 -10.899 1.00 0.00 C ATOM 247 OD1 ASN A 19 8.423 -11.075 -12.007 1.00 0.00 O ATOM 248 ND2 ASN A 19 8.408 -10.555 -9.822 1.00 0.00 N ATOM 0 H ASN A 19 5.331 -9.453 -9.424 1.00 0.00 H new ATOM 0 HA ASN A 19 5.603 -10.171 -11.536 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.582 -12.340 -9.708 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.530 -12.702 -11.422 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.282 -10.034 -9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.932 -10.631 -8.923 1.00 0.00 H new ATOM 255 N SER A 20 3.034 -11.151 -11.509 1.00 0.00 N ATOM 256 CA SER A 20 1.844 -11.801 -12.047 1.00 0.00 C ATOM 257 C SER A 20 1.526 -13.077 -11.273 1.00 0.00 C ATOM 258 O SER A 20 1.126 -14.084 -11.855 1.00 0.00 O ATOM 259 CB SER A 20 2.040 -12.126 -13.529 1.00 0.00 C ATOM 260 OG SER A 20 1.690 -11.021 -14.344 1.00 0.00 O ATOM 0 H SER A 20 2.886 -10.191 -11.199 1.00 0.00 H new ATOM 0 HA SER A 20 1.005 -11.113 -11.941 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.079 -12.401 -13.710 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.431 -12.989 -13.799 1.00 0.00 H new ATOM 0 HG SER A 20 1.826 -11.254 -15.286 1.00 0.00 H new ATOM 266 N GLN A 21 1.707 -13.024 -9.957 1.00 0.00 N ATOM 267 CA GLN A 21 1.440 -14.175 -9.103 1.00 0.00 C ATOM 268 C GLN A 21 1.008 -13.730 -7.709 1.00 0.00 C ATOM 269 O GLN A 21 1.732 -13.005 -7.027 1.00 0.00 O ATOM 270 CB GLN A 21 2.682 -15.063 -9.005 1.00 0.00 C ATOM 271 CG GLN A 21 3.039 -15.755 -10.311 1.00 0.00 C ATOM 272 CD GLN A 21 3.871 -17.005 -10.101 1.00 0.00 C ATOM 273 OE1 GLN A 21 4.115 -17.419 -8.967 1.00 0.00 O ATOM 274 NE2 GLN A 21 4.311 -17.614 -11.196 1.00 0.00 N ATOM 0 H GLN A 21 2.037 -12.197 -9.460 1.00 0.00 H new ATOM 0 HA GLN A 21 0.627 -14.747 -9.551 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.528 -14.456 -8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.519 -15.818 -8.236 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.123 -16.017 -10.841 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.588 -15.061 -10.947 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.085 -17.236 -12.116 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.875 -18.460 -11.117 1.00 0.00 H new ATOM 283 N TRP A 22 -0.174 -14.169 -7.294 1.00 0.00 N ATOM 284 CA TRP A 22 -0.703 -13.816 -5.982 1.00 0.00 C ATOM 285 C TRP A 22 0.002 -14.601 -4.881 1.00 0.00 C ATOM 286 O TRP A 22 -0.261 -15.788 -4.685 1.00 0.00 O ATOM 287 CB TRP A 22 -2.209 -14.078 -5.928 1.00 0.00 C ATOM 288 CG TRP A 22 -2.997 -13.207 -6.859 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.543 -13.571 -8.057 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.326 -11.827 -6.668 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.191 -12.499 -8.622 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.073 -11.418 -7.790 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.064 -10.897 -5.658 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.558 -10.120 -7.928 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.546 -9.609 -5.797 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.287 -9.231 -6.924 1.00 0.00 C ATOM 0 H TRP A 22 -0.785 -14.770 -7.847 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.521 -12.754 -5.819 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.398 -15.123 -6.173 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.562 -13.921 -4.909 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.475 -14.556 -8.495 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -4.681 -12.507 -9.517 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.495 -11.180 -4.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.128 -9.825 -8.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.348 -8.882 -5.024 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.652 -8.217 -7.002 1.00 0.00 H new ATOM 307 N LYS A 23 0.900 -13.933 -4.165 1.00 0.00 N ATOM 308 CA LYS A 23 1.642 -14.567 -3.083 1.00 0.00 C ATOM 309 C LYS A 23 1.265 -13.961 -1.735 1.00 0.00 C ATOM 310 O LYS A 23 1.120 -12.745 -1.610 1.00 0.00 O ATOM 311 CB LYS A 23 3.148 -14.422 -3.316 1.00 0.00 C ATOM 312 CG LYS A 23 3.543 -14.462 -4.782 1.00 0.00 C ATOM 313 CD LYS A 23 5.029 -14.732 -4.951 1.00 0.00 C ATOM 314 CE LYS A 23 5.310 -16.217 -5.119 1.00 0.00 C ATOM 315 NZ LYS A 23 5.617 -16.874 -3.818 1.00 0.00 N ATOM 0 H LYS A 23 1.131 -12.951 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 23 1.382 -15.626 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.485 -13.480 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.668 -15.220 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.971 -15.236 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.288 -13.513 -5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.402 -14.190 -5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.570 -14.354 -4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.446 -16.701 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.149 -16.353 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.564 -17.302 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.591 -16.166 -3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.911 -17.613 -3.627 1.00 0.00 H new ATOM 329 N SER A 24 1.108 -14.816 -0.730 1.00 0.00 N ATOM 330 CA SER A 24 0.745 -14.364 0.609 1.00 0.00 C ATOM 331 C SER A 24 1.820 -13.446 1.182 1.00 0.00 C ATOM 332 O SER A 24 2.996 -13.807 1.236 1.00 0.00 O ATOM 333 CB SER A 24 0.534 -15.563 1.535 1.00 0.00 C ATOM 334 OG SER A 24 1.665 -16.417 1.529 1.00 0.00 O ATOM 0 H SER A 24 1.226 -15.825 -0.817 1.00 0.00 H new ATOM 0 HA SER A 24 -0.186 -13.802 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.343 -15.214 2.550 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.348 -16.120 1.219 1.00 0.00 H new ATOM 0 HG SER A 24 2.477 -15.884 1.400 1.00 0.00 H new ATOM 340 N ARG A 25 1.408 -12.257 1.610 1.00 0.00 N ATOM 341 CA ARG A 25 2.335 -11.286 2.179 1.00 0.00 C ATOM 342 C ARG A 25 1.678 -10.509 3.316 1.00 0.00 C ATOM 343 O ARG A 25 0.478 -10.236 3.282 1.00 0.00 O ATOM 344 CB ARG A 25 2.819 -10.318 1.098 1.00 0.00 C ATOM 345 CG ARG A 25 3.581 -9.123 1.648 1.00 0.00 C ATOM 346 CD ARG A 25 5.045 -9.456 1.884 1.00 0.00 C ATOM 347 NE ARG A 25 5.776 -9.629 0.632 1.00 0.00 N ATOM 348 CZ ARG A 25 5.962 -10.807 0.045 1.00 0.00 C ATOM 349 NH1 ARG A 25 5.472 -11.909 0.595 1.00 0.00 N ATOM 350 NH2 ARG A 25 6.638 -10.883 -1.094 1.00 0.00 N ATOM 0 H ARG A 25 0.438 -11.943 1.573 1.00 0.00 H new ATOM 0 HA ARG A 25 3.191 -11.829 2.580 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.460 -10.857 0.400 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.960 -9.961 0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.504 -8.289 0.950 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.125 -8.799 2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.508 -8.660 2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.118 -10.369 2.476 1.00 0.00 H new ATOM 0 HE ARG A 25 6.165 -8.800 0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.951 -11.854 1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.616 -12.812 0.143 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.016 -10.037 -1.520 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.780 -11.788 -1.543 1.00 0.00 H new ATOM 364 N TRP A 26 2.472 -10.157 4.320 1.00 0.00 N ATOM 365 CA TRP A 26 1.967 -9.411 5.468 1.00 0.00 C ATOM 366 C TRP A 26 2.050 -7.909 5.220 1.00 0.00 C ATOM 367 O TRP A 26 3.140 -7.349 5.104 1.00 0.00 O ATOM 368 CB TRP A 26 2.756 -9.777 6.727 1.00 0.00 C ATOM 369 CG TRP A 26 2.131 -9.264 7.989 1.00 0.00 C ATOM 370 CD1 TRP A 26 1.529 -8.052 8.172 1.00 0.00 C ATOM 371 CD2 TRP A 26 2.049 -9.949 9.244 1.00 0.00 C ATOM 372 NE1 TRP A 26 1.077 -7.942 9.465 1.00 0.00 N ATOM 373 CE2 TRP A 26 1.384 -9.092 10.143 1.00 0.00 C ATOM 374 CE3 TRP A 26 2.471 -11.202 9.695 1.00 0.00 C ATOM 375 CZ2 TRP A 26 1.133 -9.450 11.465 1.00 0.00 C ATOM 376 CZ3 TRP A 26 2.223 -11.556 11.008 1.00 0.00 C ATOM 377 CH2 TRP A 26 1.558 -10.683 11.880 1.00 0.00 C ATOM 0 H TRP A 26 3.467 -10.375 4.363 1.00 0.00 H new ATOM 0 HA TRP A 26 0.920 -9.679 5.613 1.00 0.00 H new ATOM 0 HB2 TRP A 26 2.845 -10.862 6.789 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.767 -9.378 6.642 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.424 -7.292 7.412 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.592 -7.135 9.856 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.982 -11.882 9.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.621 -8.779 12.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.547 -12.521 11.368 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.377 -10.989 12.900 1.00 0.00 H new ATOM 388 N CYS A 27 0.892 -7.263 5.141 1.00 0.00 N ATOM 389 CA CYS A 27 0.834 -5.824 4.906 1.00 0.00 C ATOM 390 C CYS A 27 0.520 -5.075 6.197 1.00 0.00 C ATOM 391 O CYS A 27 -0.472 -5.360 6.867 1.00 0.00 O ATOM 392 CB CYS A 27 -0.220 -5.502 3.846 1.00 0.00 C ATOM 393 SG CYS A 27 0.416 -5.487 2.153 1.00 0.00 S ATOM 0 H CYS A 27 -0.019 -7.712 5.236 1.00 0.00 H new ATOM 0 HA CYS A 27 1.811 -5.499 4.547 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.024 -6.235 3.914 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.657 -4.528 4.067 1.00 0.00 H new ATOM 0 HG CYS A 27 1.652 -5.083 2.157 1.00 0.00 H new ATOM 399 N SER A 28 1.374 -4.116 6.541 1.00 0.00 N ATOM 400 CA SER A 28 1.191 -3.329 7.755 1.00 0.00 C ATOM 401 C SER A 28 1.219 -1.836 7.444 1.00 0.00 C ATOM 402 O SER A 28 2.235 -1.302 6.996 1.00 0.00 O ATOM 403 CB SER A 28 2.277 -3.669 8.777 1.00 0.00 C ATOM 404 OG SER A 28 1.805 -3.493 10.101 1.00 0.00 O ATOM 0 H SER A 28 2.199 -3.865 5.996 1.00 0.00 H new ATOM 0 HA SER A 28 0.216 -3.577 8.175 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.602 -4.700 8.638 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.148 -3.035 8.611 1.00 0.00 H new ATOM 0 HG SER A 28 2.517 -3.718 10.735 1.00 0.00 H new ATOM 410 N VAL A 29 0.097 -1.166 7.684 1.00 0.00 N ATOM 411 CA VAL A 29 -0.009 0.266 7.431 1.00 0.00 C ATOM 412 C VAL A 29 0.242 1.068 8.703 1.00 0.00 C ATOM 413 O VAL A 29 -0.323 0.773 9.757 1.00 0.00 O ATOM 414 CB VAL A 29 -1.394 0.636 6.868 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.522 2.144 6.714 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.633 -0.067 5.540 1.00 0.00 C ATOM 0 H VAL A 29 -0.753 -1.592 8.054 1.00 0.00 H new ATOM 0 HA VAL A 29 0.753 0.514 6.692 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.156 0.301 7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.507 2.387 6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.397 2.621 7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.754 2.506 6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.616 0.205 5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.868 0.235 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.587 -1.146 5.686 1.00 0.00 H new ATOM 426 N ARG A 30 1.091 2.085 8.597 1.00 0.00 N ATOM 427 CA ARG A 30 1.417 2.930 9.739 1.00 0.00 C ATOM 428 C ARG A 30 2.096 4.219 9.285 1.00 0.00 C ATOM 429 O ARG A 30 2.942 4.206 8.392 1.00 0.00 O ATOM 430 CB ARG A 30 2.326 2.179 10.714 1.00 0.00 C ATOM 431 CG ARG A 30 2.836 3.040 11.858 1.00 0.00 C ATOM 432 CD ARG A 30 1.907 2.977 13.060 1.00 0.00 C ATOM 433 NE ARG A 30 2.266 3.957 14.082 1.00 0.00 N ATOM 434 CZ ARG A 30 1.846 5.217 14.071 1.00 0.00 C ATOM 435 NH1 ARG A 30 1.055 5.647 13.098 1.00 0.00 N ATOM 436 NH2 ARG A 30 2.216 6.049 15.036 1.00 0.00 N ATOM 0 H ARG A 30 1.565 2.344 7.732 1.00 0.00 H new ATOM 0 HA ARG A 30 0.487 3.188 10.245 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.780 1.330 11.125 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.178 1.776 10.166 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.832 2.707 12.149 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.930 4.073 11.523 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.881 3.152 12.735 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.939 1.976 13.491 1.00 0.00 H new ATOM 0 HE ARG A 30 2.872 3.657 14.846 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.767 5.010 12.355 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.734 6.615 13.092 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.823 5.721 15.787 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.893 7.016 15.027 1.00 0.00 H new ATOM 450 N ASP A 31 1.717 5.331 9.906 1.00 0.00 N ATOM 451 CA ASP A 31 2.289 6.629 9.567 1.00 0.00 C ATOM 452 C ASP A 31 2.050 6.961 8.097 1.00 0.00 C ATOM 453 O ASP A 31 2.927 7.497 7.421 1.00 0.00 O ATOM 454 CB ASP A 31 3.789 6.644 9.868 1.00 0.00 C ATOM 455 CG ASP A 31 4.301 8.035 10.186 1.00 0.00 C ATOM 456 OD1 ASP A 31 3.757 8.670 11.113 1.00 0.00 O ATOM 457 OD2 ASP A 31 5.247 8.489 9.508 1.00 0.00 O ATOM 0 H ASP A 31 1.016 5.359 10.647 1.00 0.00 H new ATOM 0 HA ASP A 31 1.796 7.386 10.177 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.994 5.983 10.710 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.333 6.247 9.011 1.00 0.00 H new ATOM 462 N ASN A 32 0.857 6.636 7.609 1.00 0.00 N ATOM 463 CA ASN A 32 0.503 6.898 6.219 1.00 0.00 C ATOM 464 C ASN A 32 1.460 6.184 5.270 1.00 0.00 C ATOM 465 O ASN A 32 1.854 6.731 4.240 1.00 0.00 O ATOM 466 CB ASN A 32 0.520 8.403 5.941 1.00 0.00 C ATOM 467 CG ASN A 32 -0.577 9.140 6.685 1.00 0.00 C ATOM 468 OD1 ASN A 32 -0.310 9.885 7.628 1.00 0.00 O ATOM 469 ND2 ASN A 32 -1.819 8.935 6.262 1.00 0.00 N ATOM 0 H ASN A 32 0.120 6.191 8.155 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.503 6.515 6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.489 8.812 6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.407 8.573 4.870 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.599 9.404 6.723 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.993 8.309 5.476 1.00 0.00 H new ATOM 476 N HIS A 33 1.830 4.957 5.624 1.00 0.00 N ATOM 477 CA HIS A 33 2.741 4.166 4.803 1.00 0.00 C ATOM 478 C HIS A 33 2.441 2.676 4.941 1.00 0.00 C ATOM 479 O HIS A 33 2.230 2.175 6.046 1.00 0.00 O ATOM 480 CB HIS A 33 4.191 4.446 5.198 1.00 0.00 C ATOM 481 CG HIS A 33 4.736 5.714 4.618 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.455 6.961 5.136 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.550 5.924 3.557 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.073 7.883 4.419 1.00 0.00 C ATOM 485 NE2 HIS A 33 5.744 7.280 3.455 1.00 0.00 N ATOM 0 H HIS A 33 1.513 4.489 6.473 1.00 0.00 H new ATOM 0 HA HIS A 33 2.595 4.453 3.762 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.260 4.494 6.285 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.814 3.612 4.876 1.00 0.00 H new ATOM 0 HD1 HIS A 33 3.863 7.143 5.946 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.969 5.167 2.911 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.036 8.948 4.592 1.00 0.00 H new ATOM 494 N LEU A 34 2.425 1.974 3.814 1.00 0.00 N ATOM 495 CA LEU A 34 2.151 0.541 3.809 1.00 0.00 C ATOM 496 C LEU A 34 3.447 -0.260 3.731 1.00 0.00 C ATOM 497 O LEU A 34 4.067 -0.357 2.672 1.00 0.00 O ATOM 498 CB LEU A 34 1.243 0.180 2.632 1.00 0.00 C ATOM 499 CG LEU A 34 1.297 -1.275 2.165 1.00 0.00 C ATOM 500 CD1 LEU A 34 1.021 -2.219 3.325 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.304 -1.510 1.036 1.00 0.00 C ATOM 0 H LEU A 34 2.598 2.373 2.892 1.00 0.00 H new ATOM 0 HA LEU A 34 1.645 0.289 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.215 0.415 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.502 0.821 1.789 1.00 0.00 H new ATOM 0 HG LEU A 34 2.300 -1.478 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.064 -3.250 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.771 -2.069 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.031 -2.015 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.356 -2.551 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.704 -1.288 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.548 -0.860 0.196 1.00 0.00 H new ATOM 513 N HIS A 35 3.849 -0.836 4.860 1.00 0.00 N ATOM 514 CA HIS A 35 5.069 -1.633 4.919 1.00 0.00 C ATOM 515 C HIS A 35 4.783 -3.092 4.575 1.00 0.00 C ATOM 516 O HIS A 35 3.669 -3.579 4.770 1.00 0.00 O ATOM 517 CB HIS A 35 5.698 -1.538 6.309 1.00 0.00 C ATOM 518 CG HIS A 35 6.203 -0.169 6.647 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.544 0.144 6.707 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.538 0.972 6.941 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.682 1.419 7.026 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.479 1.944 7.172 1.00 0.00 N ATOM 0 H HIS A 35 3.348 -0.766 5.746 1.00 0.00 H new ATOM 0 HA HIS A 35 5.769 -1.236 4.184 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.961 -1.838 7.053 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.523 -2.247 6.374 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.466 1.095 6.986 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.619 1.942 7.147 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.281 2.914 7.417 1.00 0.00 H new ATOM 531 N PHE A 36 5.795 -3.783 4.062 1.00 0.00 N ATOM 532 CA PHE A 36 5.652 -5.185 3.689 1.00 0.00 C ATOM 533 C PHE A 36 6.554 -6.070 4.544 1.00 0.00 C ATOM 534 O PHE A 36 7.733 -5.771 4.738 1.00 0.00 O ATOM 535 CB PHE A 36 5.985 -5.378 2.208 1.00 0.00 C ATOM 536 CG PHE A 36 4.996 -4.731 1.282 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.833 -3.356 1.272 1.00 0.00 C ATOM 538 CD2 PHE A 36 4.228 -5.499 0.421 1.00 0.00 C ATOM 539 CE1 PHE A 36 3.923 -2.757 0.421 1.00 0.00 C ATOM 540 CE2 PHE A 36 3.317 -4.907 -0.433 1.00 0.00 C ATOM 541 CZ PHE A 36 3.163 -3.534 -0.432 1.00 0.00 C ATOM 0 H PHE A 36 6.723 -3.395 3.895 1.00 0.00 H new ATOM 0 HA PHE A 36 4.616 -5.477 3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.976 -4.970 2.011 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.030 -6.445 1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.424 -2.744 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.343 -6.573 0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.806 -1.683 0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.726 -5.517 -1.100 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.450 -3.069 -1.097 1.00 0.00 H new ATOM 551 N TYR A 37 5.992 -7.161 5.054 1.00 0.00 N ATOM 552 CA TYR A 37 6.743 -8.088 5.891 1.00 0.00 C ATOM 553 C TYR A 37 6.559 -9.525 5.413 1.00 0.00 C ATOM 554 O TYR A 37 5.668 -9.816 4.615 1.00 0.00 O ATOM 555 CB TYR A 37 6.301 -7.964 7.350 1.00 0.00 C ATOM 556 CG TYR A 37 6.498 -6.580 7.926 1.00 0.00 C ATOM 557 CD1 TYR A 37 5.554 -5.581 7.724 1.00 0.00 C ATOM 558 CD2 TYR A 37 7.627 -6.272 8.675 1.00 0.00 C ATOM 559 CE1 TYR A 37 5.730 -4.315 8.248 1.00 0.00 C ATOM 560 CE2 TYR A 37 7.811 -5.009 9.204 1.00 0.00 C ATOM 561 CZ TYR A 37 6.860 -4.034 8.987 1.00 0.00 C ATOM 562 OH TYR A 37 7.038 -2.775 9.513 1.00 0.00 O ATOM 0 H TYR A 37 5.018 -7.424 4.902 1.00 0.00 H new ATOM 0 HA TYR A 37 7.800 -7.831 5.815 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.248 -8.234 7.426 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.858 -8.682 7.952 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.667 -5.798 7.147 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.374 -7.033 8.847 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.987 -3.550 8.080 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.694 -4.787 9.784 1.00 0.00 H new ATOM 0 HH TYR A 37 7.884 -2.744 10.007 1.00 0.00 H new ATOM 572 N GLN A 38 7.409 -10.420 5.907 1.00 0.00 N ATOM 573 CA GLN A 38 7.341 -11.827 5.530 1.00 0.00 C ATOM 574 C GLN A 38 7.079 -12.705 6.750 1.00 0.00 C ATOM 575 O GLN A 38 6.027 -13.334 6.859 1.00 0.00 O ATOM 576 CB GLN A 38 8.640 -12.257 4.847 1.00 0.00 C ATOM 577 CG GLN A 38 9.059 -11.344 3.706 1.00 0.00 C ATOM 578 CD GLN A 38 8.456 -11.757 2.377 1.00 0.00 C ATOM 579 OE1 GLN A 38 7.480 -12.507 2.331 1.00 0.00 O ATOM 580 NE2 GLN A 38 9.035 -11.268 1.287 1.00 0.00 N ATOM 0 H GLN A 38 8.152 -10.196 6.569 1.00 0.00 H new ATOM 0 HA GLN A 38 6.514 -11.951 4.831 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.438 -12.287 5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.521 -13.271 4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.759 -10.321 3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.146 -11.346 3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.842 -10.650 1.372 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.673 -11.510 0.365 1.00 0.00 H new ATOM 589 N ASP A 39 8.043 -12.741 7.664 1.00 0.00 N ATOM 590 CA ASP A 39 7.916 -13.542 8.876 1.00 0.00 C ATOM 591 C ASP A 39 6.908 -12.918 9.836 1.00 0.00 C ATOM 592 O ASP A 39 6.368 -11.843 9.572 1.00 0.00 O ATOM 593 CB ASP A 39 9.275 -13.682 9.564 1.00 0.00 C ATOM 594 CG ASP A 39 10.257 -14.496 8.745 1.00 0.00 C ATOM 595 OD1 ASP A 39 10.722 -13.990 7.703 1.00 0.00 O ATOM 596 OD2 ASP A 39 10.560 -15.640 9.145 1.00 0.00 O ATOM 0 H ASP A 39 8.920 -12.225 7.589 1.00 0.00 H new ATOM 0 HA ASP A 39 7.557 -14.531 8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.691 -12.691 9.745 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.139 -14.154 10.537 1.00 0.00 H new ATOM 601 N ARG A 40 6.660 -13.598 10.950 1.00 0.00 N ATOM 602 CA ARG A 40 5.715 -13.112 11.949 1.00 0.00 C ATOM 603 C ARG A 40 6.379 -12.099 12.877 1.00 0.00 C ATOM 604 O ARG A 40 7.601 -12.080 13.018 1.00 0.00 O ATOM 605 CB ARG A 40 5.157 -14.279 12.765 1.00 0.00 C ATOM 606 CG ARG A 40 4.047 -15.040 12.058 1.00 0.00 C ATOM 607 CD ARG A 40 4.596 -15.922 10.947 1.00 0.00 C ATOM 608 NE ARG A 40 5.106 -17.192 11.457 1.00 0.00 N ATOM 609 CZ ARG A 40 5.217 -18.289 10.717 1.00 0.00 C ATOM 610 NH1 ARG A 40 4.857 -18.272 9.441 1.00 0.00 N ATOM 611 NH2 ARG A 40 5.690 -19.407 11.253 1.00 0.00 N ATOM 0 H ARG A 40 7.100 -14.488 11.184 1.00 0.00 H new ATOM 0 HA ARG A 40 4.895 -12.618 11.427 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.968 -14.969 12.998 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.779 -13.900 13.714 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.509 -15.655 12.780 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.328 -14.334 11.642 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.811 -16.114 10.216 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.395 -15.394 10.426 1.00 0.00 H new ATOM 0 HE ARG A 40 5.393 -17.239 12.435 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.494 -17.415 9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.944 -19.116 8.875 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.969 -19.424 12.234 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.775 -20.249 10.684 1.00 0.00 H new ATOM 625 N ASN A 41 5.565 -11.260 13.508 1.00 0.00 N ATOM 626 CA ASN A 41 6.073 -10.244 14.422 1.00 0.00 C ATOM 627 C ASN A 41 6.978 -9.257 13.691 1.00 0.00 C ATOM 628 O ASN A 41 8.035 -8.878 14.194 1.00 0.00 O ATOM 629 CB ASN A 41 6.840 -10.900 15.572 1.00 0.00 C ATOM 630 CG ASN A 41 5.925 -11.351 16.695 1.00 0.00 C ATOM 631 OD1 ASN A 41 4.792 -11.769 16.457 1.00 0.00 O ATOM 632 ND2 ASN A 41 6.415 -11.267 17.926 1.00 0.00 N ATOM 0 H ASN A 41 4.550 -11.264 13.403 1.00 0.00 H new ATOM 0 HA ASN A 41 5.221 -9.697 14.827 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.395 -11.758 15.192 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.573 -10.195 15.965 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.846 -11.555 18.722 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.360 -10.914 18.076 1.00 0.00 H new ATOM 639 N ARG A 42 6.554 -8.844 12.501 1.00 0.00 N ATOM 640 CA ARG A 42 7.325 -7.902 11.699 1.00 0.00 C ATOM 641 C ARG A 42 8.823 -8.139 11.873 1.00 0.00 C ATOM 642 O ARG A 42 9.595 -7.196 12.040 1.00 0.00 O ATOM 643 CB ARG A 42 6.977 -6.464 12.088 1.00 0.00 C ATOM 644 CG ARG A 42 5.627 -6.002 11.565 1.00 0.00 C ATOM 645 CD ARG A 42 5.397 -4.525 11.847 1.00 0.00 C ATOM 646 NE ARG A 42 4.942 -4.293 13.215 1.00 0.00 N ATOM 647 CZ ARG A 42 4.810 -3.085 13.750 1.00 0.00 C ATOM 648 NH1 ARG A 42 5.096 -2.005 13.037 1.00 0.00 N ATOM 649 NH2 ARG A 42 4.390 -2.955 15.003 1.00 0.00 N ATOM 0 H ARG A 42 5.680 -9.147 12.071 1.00 0.00 H new ATOM 0 HA ARG A 42 7.068 -8.060 10.651 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.985 -6.378 13.175 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.751 -5.797 11.710 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.570 -6.182 10.491 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.835 -6.590 12.029 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.322 -3.975 11.675 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.658 -4.133 11.148 1.00 0.00 H new ATOM 0 HE ARG A 42 4.713 -5.103 13.791 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.419 -2.100 12.074 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.993 -1.079 13.451 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.169 -3.784 15.555 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.289 -2.027 15.413 1.00 0.00 H new ATOM 663 N SER A 43 9.224 -9.406 11.833 1.00 0.00 N ATOM 664 CA SER A 43 10.628 -9.768 11.990 1.00 0.00 C ATOM 665 C SER A 43 11.495 -9.038 10.968 1.00 0.00 C ATOM 666 O SER A 43 12.365 -8.245 11.327 1.00 0.00 O ATOM 667 CB SER A 43 10.807 -11.280 11.841 1.00 0.00 C ATOM 668 OG SER A 43 11.944 -11.732 12.556 1.00 0.00 O ATOM 0 H SER A 43 8.597 -10.198 11.693 1.00 0.00 H new ATOM 0 HA SER A 43 10.945 -9.469 12.989 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.917 -11.792 12.206 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.912 -11.535 10.786 1.00 0.00 H new ATOM 0 HG SER A 43 12.035 -12.702 12.446 1.00 0.00 H new ATOM 674 N LYS A 44 11.251 -9.313 9.691 1.00 0.00 N ATOM 675 CA LYS A 44 12.007 -8.684 8.615 1.00 0.00 C ATOM 676 C LYS A 44 11.071 -8.025 7.606 1.00 0.00 C ATOM 677 O LYS A 44 9.939 -8.468 7.414 1.00 0.00 O ATOM 678 CB LYS A 44 12.887 -9.719 7.909 1.00 0.00 C ATOM 679 CG LYS A 44 14.251 -9.898 8.554 1.00 0.00 C ATOM 680 CD LYS A 44 14.205 -10.916 9.681 1.00 0.00 C ATOM 681 CE LYS A 44 14.140 -12.338 9.145 1.00 0.00 C ATOM 682 NZ LYS A 44 14.055 -13.341 10.242 1.00 0.00 N ATOM 0 H LYS A 44 10.535 -9.968 9.376 1.00 0.00 H new ATOM 0 HA LYS A 44 12.642 -7.914 9.053 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.370 -10.678 7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.022 -9.420 6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.971 -10.219 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.600 -8.941 8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.088 -10.803 10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.337 -10.724 10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.274 -12.440 8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.023 -12.538 8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.013 -14.297 9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.894 -13.261 10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.199 -13.166 10.806 1.00 0.00 H new ATOM 696 N VAL A 45 11.553 -6.966 6.963 1.00 0.00 N ATOM 697 CA VAL A 45 10.760 -6.248 5.972 1.00 0.00 C ATOM 698 C VAL A 45 10.905 -6.877 4.592 1.00 0.00 C ATOM 699 O VAL A 45 12.014 -7.028 4.080 1.00 0.00 O ATOM 700 CB VAL A 45 11.170 -4.765 5.894 1.00 0.00 C ATOM 701 CG1 VAL A 45 10.385 -4.051 4.804 1.00 0.00 C ATOM 702 CG2 VAL A 45 10.969 -4.085 7.240 1.00 0.00 C ATOM 0 H VAL A 45 12.488 -6.587 7.111 1.00 0.00 H new ATOM 0 HA VAL A 45 9.720 -6.314 6.290 1.00 0.00 H new ATOM 0 HB VAL A 45 12.229 -4.711 5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.688 -3.005 4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.585 -4.524 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.319 -4.112 5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.264 -3.038 7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.919 -4.147 7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.580 -4.582 7.993 1.00 0.00 H new ATOM 712 N ALA A 46 9.776 -7.243 3.993 1.00 0.00 N ATOM 713 CA ALA A 46 9.776 -7.855 2.670 1.00 0.00 C ATOM 714 C ALA A 46 10.477 -6.961 1.652 1.00 0.00 C ATOM 715 O ALA A 46 11.287 -7.431 0.855 1.00 0.00 O ATOM 716 CB ALA A 46 8.351 -8.149 2.224 1.00 0.00 C ATOM 0 H ALA A 46 8.850 -7.126 4.403 1.00 0.00 H new ATOM 0 HA ALA A 46 10.327 -8.794 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.366 -8.606 1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.882 -8.832 2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.783 -7.220 2.186 1.00 0.00 H new ATOM 722 N GLN A 47 10.158 -5.671 1.686 1.00 0.00 N ATOM 723 CA GLN A 47 10.757 -4.713 0.765 1.00 0.00 C ATOM 724 C GLN A 47 10.344 -3.287 1.118 1.00 0.00 C ATOM 725 O GLN A 47 9.412 -3.076 1.894 1.00 0.00 O ATOM 726 CB GLN A 47 10.348 -5.033 -0.674 1.00 0.00 C ATOM 727 CG GLN A 47 8.849 -5.207 -0.857 1.00 0.00 C ATOM 728 CD GLN A 47 8.476 -5.610 -2.270 1.00 0.00 C ATOM 729 OE1 GLN A 47 9.275 -6.214 -2.987 1.00 0.00 O ATOM 730 NE2 GLN A 47 7.258 -5.276 -2.678 1.00 0.00 N ATOM 0 H GLN A 47 9.489 -5.266 2.341 1.00 0.00 H new ATOM 0 HA GLN A 47 11.841 -4.791 0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.695 -4.233 -1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.853 -5.945 -0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.487 -5.963 -0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.345 -4.274 -0.605 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.629 -4.776 -2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.951 -5.520 -3.620 1.00 0.00 H new ATOM 739 N GLN A 48 11.045 -2.314 0.544 1.00 0.00 N ATOM 740 CA GLN A 48 10.751 -0.909 0.800 1.00 0.00 C ATOM 741 C GLN A 48 9.256 -0.696 1.018 1.00 0.00 C ATOM 742 O GLN A 48 8.415 -1.283 0.336 1.00 0.00 O ATOM 743 CB GLN A 48 11.237 -0.045 -0.365 1.00 0.00 C ATOM 744 CG GLN A 48 11.468 1.410 0.013 1.00 0.00 C ATOM 745 CD GLN A 48 12.069 2.218 -1.121 1.00 0.00 C ATOM 746 OE1 GLN A 48 11.886 1.894 -2.294 1.00 0.00 O ATOM 747 NE2 GLN A 48 12.790 3.278 -0.775 1.00 0.00 N ATOM 0 H GLN A 48 11.819 -2.473 -0.101 1.00 0.00 H new ATOM 0 HA GLN A 48 11.277 -0.613 1.708 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.166 -0.463 -0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.505 -0.091 -1.171 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.521 1.859 0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.130 1.456 0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.916 3.510 0.210 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.218 3.861 -1.495 1.00 0.00 H new ATOM 756 N PRO A 49 8.916 0.162 1.990 1.00 0.00 N ATOM 757 CA PRO A 49 7.522 0.473 2.320 1.00 0.00 C ATOM 758 C PRO A 49 6.835 1.285 1.228 1.00 0.00 C ATOM 759 O PRO A 49 7.463 1.680 0.245 1.00 0.00 O ATOM 760 CB PRO A 49 7.636 1.295 3.606 1.00 0.00 C ATOM 761 CG PRO A 49 8.997 1.900 3.549 1.00 0.00 C ATOM 762 CD PRO A 49 9.866 0.897 2.842 1.00 0.00 C ATOM 0 HA PRO A 49 6.918 -0.428 2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.863 2.062 3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.518 0.667 4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.980 2.849 3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.375 2.107 4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.642 1.384 2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.370 0.235 3.546 1.00 0.00 H new ATOM 770 N LEU A 50 5.541 1.531 1.406 1.00 0.00 N ATOM 771 CA LEU A 50 4.768 2.298 0.435 1.00 0.00 C ATOM 772 C LEU A 50 4.318 3.629 1.027 1.00 0.00 C ATOM 773 O LEU A 50 3.920 3.701 2.190 1.00 0.00 O ATOM 774 CB LEU A 50 3.551 1.494 -0.026 1.00 0.00 C ATOM 775 CG LEU A 50 3.759 0.606 -1.254 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.454 -0.063 -1.656 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.323 1.418 -2.410 1.00 0.00 C ATOM 0 H LEU A 50 5.006 1.211 2.213 1.00 0.00 H new ATOM 0 HA LEU A 50 5.408 2.501 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.222 0.865 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.740 2.190 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 50 4.478 -0.172 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.621 -0.691 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.092 -0.678 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.712 0.700 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.464 0.770 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.628 2.218 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.281 1.849 -2.119 1.00 0.00 H new ATOM 789 N SER A 51 4.381 4.682 0.218 1.00 0.00 N ATOM 790 CA SER A 51 3.981 6.012 0.662 1.00 0.00 C ATOM 791 C SER A 51 2.533 6.302 0.275 1.00 0.00 C ATOM 792 O SER A 51 2.261 7.177 -0.548 1.00 0.00 O ATOM 793 CB SER A 51 4.903 7.073 0.059 1.00 0.00 C ATOM 794 OG SER A 51 4.801 7.095 -1.354 1.00 0.00 O ATOM 0 H SER A 51 4.705 4.640 -0.748 1.00 0.00 H new ATOM 0 HA SER A 51 4.062 6.045 1.748 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.646 8.053 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.934 6.870 0.349 1.00 0.00 H new ATOM 0 HG SER A 51 3.865 7.227 -1.612 1.00 0.00 H new ATOM 800 N LEU A 52 1.608 5.561 0.875 1.00 0.00 N ATOM 801 CA LEU A 52 0.187 5.737 0.595 1.00 0.00 C ATOM 802 C LEU A 52 -0.169 7.217 0.495 1.00 0.00 C ATOM 803 O LEU A 52 -0.921 7.627 -0.389 1.00 0.00 O ATOM 804 CB LEU A 52 -0.654 5.071 1.685 1.00 0.00 C ATOM 805 CG LEU A 52 -0.331 3.606 1.981 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.164 3.100 3.148 1.00 0.00 C ATOM 807 CD2 LEU A 52 -0.564 2.748 0.745 1.00 0.00 C ATOM 0 H LEU A 52 1.816 4.833 1.558 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.031 5.264 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.536 5.641 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.704 5.140 1.399 1.00 0.00 H new ATOM 0 HG LEU A 52 0.721 3.535 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.920 2.056 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.947 3.695 4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.223 3.186 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.329 1.709 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.608 2.825 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.078 3.095 -0.065 1.00 0.00 H new ATOM 819 N VAL A 53 0.378 8.015 1.406 1.00 0.00 N ATOM 820 CA VAL A 53 0.120 9.450 1.419 1.00 0.00 C ATOM 821 C VAL A 53 0.190 10.033 0.013 1.00 0.00 C ATOM 822 O VAL A 53 1.272 10.315 -0.501 1.00 0.00 O ATOM 823 CB VAL A 53 1.124 10.192 2.322 1.00 0.00 C ATOM 824 CG1 VAL A 53 2.552 9.842 1.933 1.00 0.00 C ATOM 825 CG2 VAL A 53 0.896 11.694 2.248 1.00 0.00 C ATOM 0 H VAL A 53 1.003 7.692 2.145 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.886 9.588 1.816 1.00 0.00 H new ATOM 0 HB VAL A 53 0.965 9.873 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.247 10.375 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.706 8.768 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.728 10.131 0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.613 12.203 2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.027 12.032 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.116 11.925 2.579 1.00 0.00 H new ATOM 835 N GLY A 54 -0.973 10.213 -0.606 1.00 0.00 N ATOM 836 CA GLY A 54 -1.022 10.763 -1.948 1.00 0.00 C ATOM 837 C GLY A 54 -1.568 9.775 -2.960 1.00 0.00 C ATOM 838 O GLY A 54 -2.341 10.146 -3.845 1.00 0.00 O ATOM 0 H GLY A 54 -1.882 9.988 -0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.643 11.659 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.020 11.070 -2.248 1.00 0.00 H new ATOM 842 N CYS A 55 -1.166 8.516 -2.831 1.00 0.00 N ATOM 843 CA CYS A 55 -1.619 7.472 -3.744 1.00 0.00 C ATOM 844 C CYS A 55 -3.142 7.449 -3.831 1.00 0.00 C ATOM 845 O CYS A 55 -3.822 8.236 -3.174 1.00 0.00 O ATOM 846 CB CYS A 55 -1.102 6.107 -3.287 1.00 0.00 C ATOM 847 SG CYS A 55 0.616 6.119 -2.723 1.00 0.00 S ATOM 0 H CYS A 55 -0.528 8.193 -2.104 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.220 7.691 -4.734 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.736 5.742 -2.479 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.198 5.400 -4.111 1.00 0.00 H new ATOM 0 HG CYS A 55 0.787 7.087 -1.873 1.00 0.00 H new ATOM 853 N GLU A 56 -3.669 6.543 -4.648 1.00 0.00 N ATOM 854 CA GLU A 56 -5.111 6.420 -4.823 1.00 0.00 C ATOM 855 C GLU A 56 -5.532 4.954 -4.861 1.00 0.00 C ATOM 856 O GLU A 56 -5.111 4.198 -5.736 1.00 0.00 O ATOM 857 CB GLU A 56 -5.553 7.122 -6.109 1.00 0.00 C ATOM 858 CG GLU A 56 -7.000 6.851 -6.484 1.00 0.00 C ATOM 859 CD GLU A 56 -7.400 7.517 -7.786 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.119 8.724 -7.945 1.00 0.00 O ATOM 861 OE2 GLU A 56 -7.994 6.833 -8.646 1.00 0.00 O ATOM 0 H GLU A 56 -3.119 5.884 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.596 6.897 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.412 8.197 -5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.908 6.802 -6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.154 5.775 -6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.651 7.205 -5.684 1.00 0.00 H new ATOM 868 N VAL A 57 -6.366 4.559 -3.903 1.00 0.00 N ATOM 869 CA VAL A 57 -6.845 3.184 -3.826 1.00 0.00 C ATOM 870 C VAL A 57 -8.158 3.016 -4.581 1.00 0.00 C ATOM 871 O VAL A 57 -9.171 3.622 -4.230 1.00 0.00 O ATOM 872 CB VAL A 57 -7.045 2.740 -2.365 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.496 1.289 -2.304 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.766 2.943 -1.567 1.00 0.00 C ATOM 0 H VAL A 57 -6.723 5.172 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.082 2.557 -4.287 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.826 3.357 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.632 0.994 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.439 1.178 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.740 0.653 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.925 2.624 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.963 2.353 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.491 3.998 -1.582 1.00 0.00 H new ATOM 884 N VAL A 58 -8.136 2.189 -5.622 1.00 0.00 N ATOM 885 CA VAL A 58 -9.326 1.940 -6.426 1.00 0.00 C ATOM 886 C VAL A 58 -9.684 0.458 -6.433 1.00 0.00 C ATOM 887 O VAL A 58 -8.826 -0.413 -6.577 1.00 0.00 O ATOM 888 CB VAL A 58 -9.131 2.416 -7.878 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.497 3.887 -8.011 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.700 2.171 -8.332 1.00 0.00 C ATOM 0 H VAL A 58 -7.307 1.680 -5.928 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.140 2.505 -5.972 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.795 1.841 -8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.353 4.206 -9.043 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.540 4.029 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.860 4.481 -7.356 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.581 2.513 -9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.014 2.719 -7.685 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.478 1.105 -8.277 1.00 0.00 H new ATOM 900 N PRO A 59 -10.983 0.163 -6.274 1.00 0.00 N ATOM 901 CA PRO A 59 -11.485 -1.214 -6.259 1.00 0.00 C ATOM 902 C PRO A 59 -11.402 -1.877 -7.630 1.00 0.00 C ATOM 903 O PRO A 59 -12.330 -1.782 -8.433 1.00 0.00 O ATOM 904 CB PRO A 59 -12.946 -1.054 -5.831 1.00 0.00 C ATOM 905 CG PRO A 59 -13.312 0.330 -6.243 1.00 0.00 C ATOM 906 CD PRO A 59 -12.061 1.150 -6.097 1.00 0.00 C ATOM 0 HA PRO A 59 -10.900 -1.854 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.584 -1.793 -6.316 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.061 -1.190 -4.756 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.673 0.348 -7.271 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.112 0.725 -5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.009 1.940 -6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.008 1.632 -5.121 1.00 0.00 H new ATOM 914 N ASP A 60 -10.285 -2.547 -7.891 1.00 0.00 N ATOM 915 CA ASP A 60 -10.081 -3.227 -9.164 1.00 0.00 C ATOM 916 C ASP A 60 -10.195 -4.739 -8.998 1.00 0.00 C ATOM 917 O ASP A 60 -9.199 -5.462 -8.974 1.00 0.00 O ATOM 918 CB ASP A 60 -8.713 -2.867 -9.746 1.00 0.00 C ATOM 919 CG ASP A 60 -8.679 -2.978 -11.257 1.00 0.00 C ATOM 920 OD1 ASP A 60 -8.926 -4.087 -11.776 1.00 0.00 O ATOM 921 OD2 ASP A 60 -8.404 -1.957 -11.922 1.00 0.00 O ATOM 0 H ASP A 60 -9.507 -2.634 -7.237 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.859 -2.896 -9.852 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.453 -1.850 -9.454 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.956 -3.524 -9.319 1.00 0.00 H new ATOM 926 N PRO A 61 -11.438 -5.230 -8.878 1.00 0.00 N ATOM 927 CA PRO A 61 -11.711 -6.660 -8.710 1.00 0.00 C ATOM 928 C PRO A 61 -11.412 -7.459 -9.974 1.00 0.00 C ATOM 929 O PRO A 61 -11.061 -6.893 -11.009 1.00 0.00 O ATOM 930 CB PRO A 61 -13.208 -6.700 -8.394 1.00 0.00 C ATOM 931 CG PRO A 61 -13.758 -5.459 -9.007 1.00 0.00 C ATOM 932 CD PRO A 61 -12.671 -4.426 -8.897 1.00 0.00 C ATOM 0 HA PRO A 61 -11.086 -7.107 -7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.677 -7.590 -8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.385 -6.722 -7.319 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.033 -5.627 -10.048 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.660 -5.134 -8.488 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.687 -3.734 -9.739 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.775 -3.828 -7.992 1.00 0.00 H new ATOM 940 N SER A 62 -11.554 -8.778 -9.882 1.00 0.00 N ATOM 941 CA SER A 62 -11.295 -9.655 -11.018 1.00 0.00 C ATOM 942 C SER A 62 -12.427 -10.663 -11.194 1.00 0.00 C ATOM 943 O SER A 62 -13.259 -10.861 -10.309 1.00 0.00 O ATOM 944 CB SER A 62 -9.967 -10.390 -10.830 1.00 0.00 C ATOM 945 OG SER A 62 -8.915 -9.724 -11.505 1.00 0.00 O ATOM 0 H SER A 62 -11.847 -9.262 -9.033 1.00 0.00 H new ATOM 0 HA SER A 62 -11.237 -9.039 -11.915 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.734 -10.460 -9.767 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.056 -11.410 -11.205 1.00 0.00 H new ATOM 0 HG SER A 62 -8.077 -10.213 -11.368 1.00 0.00 H new ATOM 951 N PRO A 63 -12.460 -11.316 -12.366 1.00 0.00 N ATOM 952 CA PRO A 63 -13.483 -12.315 -12.687 1.00 0.00 C ATOM 953 C PRO A 63 -13.325 -13.592 -11.868 1.00 0.00 C ATOM 954 O PRO A 63 -14.059 -14.561 -12.063 1.00 0.00 O ATOM 955 CB PRO A 63 -13.247 -12.600 -14.172 1.00 0.00 C ATOM 956 CG PRO A 63 -11.813 -12.268 -14.398 1.00 0.00 C ATOM 957 CD PRO A 63 -11.499 -11.130 -13.466 1.00 0.00 C ATOM 0 HA PRO A 63 -14.487 -11.956 -12.462 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.455 -13.643 -14.413 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.898 -11.992 -14.800 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.176 -13.128 -14.192 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.637 -11.983 -15.435 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.469 -11.173 -13.112 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.628 -10.164 -13.954 1.00 0.00 H new ATOM 965 N ASP A 64 -12.363 -13.585 -10.951 1.00 0.00 N ATOM 966 CA ASP A 64 -12.109 -14.742 -10.101 1.00 0.00 C ATOM 967 C ASP A 64 -12.187 -14.361 -8.626 1.00 0.00 C ATOM 968 O ASP A 64 -12.262 -15.226 -7.753 1.00 0.00 O ATOM 969 CB ASP A 64 -10.737 -15.341 -10.414 1.00 0.00 C ATOM 970 CG ASP A 64 -10.615 -16.780 -9.954 1.00 0.00 C ATOM 971 OD1 ASP A 64 -11.175 -17.112 -8.888 1.00 0.00 O ATOM 972 OD2 ASP A 64 -9.958 -17.575 -10.658 1.00 0.00 O ATOM 0 H ASP A 64 -11.747 -12.791 -10.778 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.877 -15.487 -10.306 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.558 -15.290 -11.488 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.964 -14.742 -9.933 1.00 0.00 H new ATOM 977 N HIS A 65 -12.167 -13.060 -8.355 1.00 0.00 N ATOM 978 CA HIS A 65 -12.234 -12.563 -6.985 1.00 0.00 C ATOM 979 C HIS A 65 -12.595 -11.081 -6.962 1.00 0.00 C ATOM 980 O HIS A 65 -11.776 -10.227 -7.305 1.00 0.00 O ATOM 981 CB HIS A 65 -10.900 -12.787 -6.273 1.00 0.00 C ATOM 982 CG HIS A 65 -10.811 -14.106 -5.569 1.00 0.00 C ATOM 983 ND1 HIS A 65 -11.360 -14.333 -4.324 1.00 0.00 N ATOM 984 CD2 HIS A 65 -10.234 -15.272 -5.942 1.00 0.00 C ATOM 985 CE1 HIS A 65 -11.123 -15.581 -3.962 1.00 0.00 C ATOM 986 NE2 HIS A 65 -10.441 -16.173 -4.927 1.00 0.00 N ATOM 0 H HIS A 65 -12.105 -12.331 -9.066 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.013 -13.116 -6.461 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.092 -12.718 -7.002 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.745 -11.987 -5.549 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.708 -15.459 -6.867 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.434 -16.040 -3.035 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -10.121 -17.141 -4.919 1.00 0.00 H new ATOM 995 N LEU A 66 -13.824 -10.782 -6.556 1.00 0.00 N ATOM 996 CA LEU A 66 -14.293 -9.402 -6.488 1.00 0.00 C ATOM 997 C LEU A 66 -13.864 -8.744 -5.181 1.00 0.00 C ATOM 998 O LEU A 66 -14.528 -7.834 -4.685 1.00 0.00 O ATOM 999 CB LEU A 66 -15.816 -9.354 -6.622 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.430 -10.303 -7.651 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.878 -10.608 -7.298 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.334 -9.710 -9.049 1.00 0.00 C ATOM 0 H LEU A 66 -14.514 -11.476 -6.269 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.844 -8.850 -7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -16.253 -9.574 -5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.106 -8.335 -6.879 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.868 -11.237 -7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.299 -11.285 -8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.922 -11.076 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.452 -9.682 -7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.776 -10.400 -9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.870 -8.761 -9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.287 -9.544 -9.303 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.750 -9.211 -4.628 1.00 0.00 N ATOM 1015 CA TYR A 67 -12.233 -8.668 -3.377 1.00 0.00 C ATOM 1016 C TYR A 67 -10.768 -8.266 -3.523 1.00 0.00 C ATOM 1017 O TYR A 67 -9.949 -8.533 -2.643 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.382 -9.693 -2.252 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.666 -10.489 -2.324 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.879 -9.866 -2.591 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.665 -11.864 -2.127 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -16.054 -10.589 -2.657 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.835 -12.596 -2.193 1.00 0.00 C ATOM 1024 CZ TYR A 67 -16.027 -11.954 -2.458 1.00 0.00 C ATOM 1025 OH TYR A 67 -17.195 -12.678 -2.525 1.00 0.00 O ATOM 0 H TYR A 67 -12.188 -9.964 -5.026 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.813 -7.779 -3.129 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.536 -10.380 -2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.338 -9.177 -1.293 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.903 -8.798 -2.750 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.734 -12.370 -1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.989 -10.089 -2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.816 -13.665 -2.038 1.00 0.00 H new ATOM 0 HH TYR A 67 -17.003 -13.625 -2.363 1.00 0.00 H new ATOM 1035 N SER A 68 -10.446 -7.621 -4.639 1.00 0.00 N ATOM 1036 CA SER A 68 -9.081 -7.184 -4.903 1.00 0.00 C ATOM 1037 C SER A 68 -9.045 -5.702 -5.267 1.00 0.00 C ATOM 1038 O SER A 68 -9.884 -5.218 -6.027 1.00 0.00 O ATOM 1039 CB SER A 68 -8.466 -8.013 -6.033 1.00 0.00 C ATOM 1040 OG SER A 68 -7.106 -7.671 -6.235 1.00 0.00 O ATOM 0 H SER A 68 -11.113 -7.389 -5.375 1.00 0.00 H new ATOM 0 HA SER A 68 -8.497 -7.332 -3.994 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.546 -9.074 -5.795 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.026 -7.850 -6.954 1.00 0.00 H new ATOM 0 HG SER A 68 -6.741 -7.282 -5.413 1.00 0.00 H new ATOM 1046 N PHE A 69 -8.067 -4.988 -4.719 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.922 -3.562 -4.984 1.00 0.00 C ATOM 1048 C PHE A 69 -6.479 -3.220 -5.345 1.00 0.00 C ATOM 1049 O PHE A 69 -5.560 -3.992 -5.069 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.361 -2.747 -3.766 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.829 -3.279 -2.466 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.480 -4.308 -1.805 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.678 -2.750 -1.905 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.993 -4.799 -0.608 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.186 -3.237 -0.709 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.844 -4.263 -0.060 1.00 0.00 C ATOM 0 H PHE A 69 -7.364 -5.374 -4.089 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.560 -3.309 -5.831 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.030 -1.716 -3.890 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.450 -2.729 -3.724 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.378 -4.731 -2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.159 -1.948 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.510 -5.601 -0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.288 -2.816 -0.282 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.461 -4.646 0.874 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.288 -2.059 -5.962 1.00 0.00 N ATOM 1067 CA ARG A 70 -4.959 -1.615 -6.363 1.00 0.00 C ATOM 1068 C ARG A 70 -4.797 -0.114 -6.142 1.00 0.00 C ATOM 1069 O ARG A 70 -5.773 0.636 -6.174 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.704 -1.956 -7.832 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.780 -1.438 -8.772 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.290 -1.398 -10.211 1.00 0.00 C ATOM 1073 NE ARG A 70 -5.932 -0.334 -10.978 1.00 0.00 N ATOM 1074 CZ ARG A 70 -6.049 -0.349 -12.301 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -5.570 -1.369 -13.001 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -6.646 0.657 -12.928 1.00 0.00 N ATOM 0 H ARG A 70 -7.038 -1.408 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.228 -2.137 -5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.741 -1.541 -8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.631 -3.038 -7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.662 -2.075 -8.704 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.085 -0.438 -8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.210 -1.252 -10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.487 -2.358 -10.688 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.312 0.465 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.111 -2.144 -12.523 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.661 -1.378 -14.017 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.016 1.443 -12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.735 0.644 -13.944 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.560 0.316 -5.919 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.272 1.727 -5.694 1.00 0.00 C ATOM 1092 C ILE A 71 -2.669 2.370 -6.939 1.00 0.00 C ATOM 1093 O ILE A 71 -2.011 1.703 -7.739 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.306 1.923 -4.510 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.462 0.782 -3.503 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.555 3.266 -3.840 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.424 0.801 -2.403 1.00 0.00 C ATOM 0 H ILE A 71 -2.742 -0.292 -5.889 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.221 2.210 -5.462 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.284 1.912 -4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.455 0.836 -3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.402 -0.169 -4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.865 3.390 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.399 4.067 -4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.580 3.304 -3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.596 -0.036 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.429 0.716 -2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.498 1.737 -1.849 1.00 0.00 H new ATOM 1109 N LEU A 72 -2.895 3.670 -7.095 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.373 4.405 -8.242 1.00 0.00 C ATOM 1111 C LEU A 72 -1.820 5.760 -7.814 1.00 0.00 C ATOM 1112 O LEU A 72 -2.311 6.371 -6.864 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.468 4.596 -9.292 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.146 3.321 -9.795 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.589 3.602 -10.186 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.377 2.736 -10.971 1.00 0.00 C ATOM 0 H LEU A 72 -3.436 4.237 -6.442 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.560 3.823 -8.676 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.234 5.250 -8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.036 5.116 -10.147 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.146 2.590 -8.987 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.055 2.683 -10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.135 3.974 -9.319 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.612 4.350 -10.978 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.874 1.829 -11.316 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.345 3.463 -11.782 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.361 2.496 -10.658 1.00 0.00 H new ATOM 1128 N HIS A 73 -0.797 6.227 -8.523 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.179 7.513 -8.218 1.00 0.00 C ATOM 1130 C HIS A 73 -0.293 8.465 -9.404 1.00 0.00 C ATOM 1131 O HIS A 73 0.615 8.556 -10.230 1.00 0.00 O ATOM 1132 CB HIS A 73 1.291 7.320 -7.843 1.00 0.00 C ATOM 1133 CG HIS A 73 1.950 8.568 -7.343 1.00 0.00 C ATOM 1134 ND1 HIS A 73 2.525 9.503 -8.179 1.00 0.00 N ATOM 1135 CD2 HIS A 73 2.123 9.035 -6.084 1.00 0.00 C ATOM 1136 CE1 HIS A 73 3.024 10.489 -7.456 1.00 0.00 C ATOM 1137 NE2 HIS A 73 2.793 10.230 -6.181 1.00 0.00 N ATOM 0 H HIS A 73 -0.379 5.735 -9.312 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.708 7.951 -7.371 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.364 6.548 -7.076 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.835 6.956 -8.714 1.00 0.00 H new ATOM 0 HD1 HIS A 73 2.559 9.442 -9.197 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.795 8.557 -5.173 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.534 11.359 -7.841 1.00 0.00 H new ATOM 1146 N LYS A 74 -1.415 9.173 -9.482 1.00 0.00 N ATOM 1147 CA LYS A 74 -1.649 10.119 -10.566 1.00 0.00 C ATOM 1148 C LYS A 74 -1.986 9.389 -11.863 1.00 0.00 C ATOM 1149 O LYS A 74 -1.768 9.911 -12.955 1.00 0.00 O ATOM 1150 CB LYS A 74 -0.418 11.005 -10.772 1.00 0.00 C ATOM 1151 CG LYS A 74 0.208 11.488 -9.476 1.00 0.00 C ATOM 1152 CD LYS A 74 -0.389 12.811 -9.026 1.00 0.00 C ATOM 1153 CE LYS A 74 0.531 13.538 -8.058 1.00 0.00 C ATOM 1154 NZ LYS A 74 0.386 13.027 -6.666 1.00 0.00 N ATOM 0 H LYS A 74 -2.177 9.109 -8.807 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.498 10.745 -10.291 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.328 10.450 -11.341 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.699 11.869 -11.374 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.061 10.738 -8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.284 11.601 -9.611 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.575 13.442 -9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.353 12.633 -8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.565 13.421 -8.382 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.310 14.605 -8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.029 13.548 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.595 13.162 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.622 12.014 -6.642 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.520 8.179 -11.733 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.880 7.398 -12.902 1.00 0.00 C ATOM 1170 C GLY A 75 -1.945 6.225 -13.126 1.00 0.00 C ATOM 1171 O GLY A 75 -2.233 5.340 -13.931 1.00 0.00 O ATOM 0 H GLY A 75 -2.710 7.725 -10.839 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.900 7.030 -12.789 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.869 8.041 -13.782 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.823 6.220 -12.414 1.00 0.00 N ATOM 1176 CA GLU A 76 0.157 5.148 -12.541 1.00 0.00 C ATOM 1177 C GLU A 76 -0.147 4.014 -11.567 1.00 0.00 C ATOM 1178 O GLU A 76 -1.099 4.088 -10.790 1.00 0.00 O ATOM 1179 CB GLU A 76 1.568 5.685 -12.291 1.00 0.00 C ATOM 1180 CG GLU A 76 2.262 6.182 -13.548 1.00 0.00 C ATOM 1181 CD GLU A 76 1.713 7.509 -14.032 1.00 0.00 C ATOM 1182 OE1 GLU A 76 1.846 8.510 -13.295 1.00 0.00 O ATOM 1183 OE2 GLU A 76 1.150 7.549 -15.146 1.00 0.00 O ATOM 0 H GLU A 76 -0.570 6.946 -11.744 1.00 0.00 H new ATOM 0 HA GLU A 76 0.099 4.756 -13.557 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.515 6.500 -11.569 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.172 4.898 -11.839 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.329 6.284 -13.353 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.152 5.438 -14.337 1.00 0.00 H new ATOM 1190 N GLU A 77 0.668 2.965 -11.616 1.00 0.00 N ATOM 1191 CA GLU A 77 0.484 1.814 -10.740 1.00 0.00 C ATOM 1192 C GLU A 77 1.566 1.772 -9.664 1.00 0.00 C ATOM 1193 O GLU A 77 2.749 1.960 -9.949 1.00 0.00 O ATOM 1194 CB GLU A 77 0.507 0.517 -11.552 1.00 0.00 C ATOM 1195 CG GLU A 77 0.264 -0.728 -10.716 1.00 0.00 C ATOM 1196 CD GLU A 77 0.525 -2.008 -11.487 1.00 0.00 C ATOM 1197 OE1 GLU A 77 -0.338 -2.393 -12.304 1.00 0.00 O ATOM 1198 OE2 GLU A 77 1.589 -2.624 -11.273 1.00 0.00 O ATOM 0 H GLU A 77 1.461 2.889 -12.252 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.486 1.912 -10.253 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.251 0.574 -12.333 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.472 0.427 -12.050 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.906 -0.701 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.766 -0.726 -10.359 1.00 0.00 H new ATOM 1205 N LEU A 78 1.151 1.525 -8.426 1.00 0.00 N ATOM 1206 CA LEU A 78 2.083 1.459 -7.306 1.00 0.00 C ATOM 1207 C LEU A 78 2.124 0.053 -6.714 1.00 0.00 C ATOM 1208 O LEU A 78 3.198 -0.491 -6.458 1.00 0.00 O ATOM 1209 CB LEU A 78 1.686 2.467 -6.226 1.00 0.00 C ATOM 1210 CG LEU A 78 1.407 3.891 -6.708 1.00 0.00 C ATOM 1211 CD1 LEU A 78 0.693 4.690 -5.628 1.00 0.00 C ATOM 1212 CD2 LEU A 78 2.702 4.580 -7.114 1.00 0.00 C ATOM 0 H LEU A 78 0.176 1.367 -8.173 1.00 0.00 H new ATOM 0 HA LEU A 78 3.077 1.707 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.795 2.095 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.482 2.506 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 78 0.757 3.837 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.503 5.701 -5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.254 4.208 -5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.318 4.735 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.484 5.592 -7.454 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.376 4.622 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.175 4.020 -7.921 1.00 0.00 H new ATOM 1224 N ALA A 79 0.949 -0.529 -6.503 1.00 0.00 N ATOM 1225 CA ALA A 79 0.851 -1.873 -5.946 1.00 0.00 C ATOM 1226 C ALA A 79 -0.531 -2.470 -6.193 1.00 0.00 C ATOM 1227 O ALA A 79 -1.411 -1.814 -6.750 1.00 0.00 O ATOM 1228 CB ALA A 79 1.161 -1.851 -4.457 1.00 0.00 C ATOM 0 H ALA A 79 0.051 -0.091 -6.709 1.00 0.00 H new ATOM 0 HA ALA A 79 1.585 -2.503 -6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.084 -2.861 -4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.172 -1.474 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.449 -1.202 -3.947 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.714 -3.718 -5.775 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.988 -4.404 -5.949 1.00 0.00 C ATOM 1236 C LYS A 80 -2.185 -5.467 -4.873 1.00 0.00 C ATOM 1237 O LYS A 80 -1.435 -6.442 -4.804 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.059 -5.047 -7.335 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.438 -5.577 -7.691 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.648 -5.621 -9.195 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.989 -6.244 -9.552 1.00 0.00 C ATOM 1242 NZ LYS A 80 -6.073 -5.225 -9.623 1.00 0.00 N ATOM 0 H LYS A 80 0.005 -4.275 -5.313 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.785 -3.666 -5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.757 -4.313 -8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.341 -5.866 -7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.562 -6.577 -7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.200 -4.945 -7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.595 -4.611 -9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.845 -6.193 -9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.908 -6.755 -10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.248 -6.999 -8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.990 -5.681 -9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.906 -4.490 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.080 -4.791 -10.568 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.199 -5.275 -4.036 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.496 -6.219 -2.964 1.00 0.00 C ATOM 1258 C LEU A 81 -4.836 -6.907 -3.200 1.00 0.00 C ATOM 1259 O LEU A 81 -5.664 -6.425 -3.972 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.509 -5.500 -1.614 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.236 -4.734 -1.249 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -1.042 -5.674 -1.203 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -1.991 -3.605 -2.240 1.00 0.00 C ATOM 0 H LEU A 81 -3.829 -4.474 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.715 -6.979 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.345 -4.801 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.702 -6.237 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.368 -4.299 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.146 -5.111 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.216 -6.447 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.907 -6.139 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.082 -3.071 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.880 -4.018 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.836 -2.916 -2.223 1.00 0.00 H new ATOM 1275 N GLU A 82 -5.044 -8.034 -2.526 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.285 -8.787 -2.662 1.00 0.00 C ATOM 1277 C GLU A 82 -6.705 -9.389 -1.325 1.00 0.00 C ATOM 1278 O GLU A 82 -5.912 -10.046 -0.651 1.00 0.00 O ATOM 1279 CB GLU A 82 -6.124 -9.895 -3.705 1.00 0.00 C ATOM 1280 CG GLU A 82 -7.071 -11.066 -3.500 1.00 0.00 C ATOM 1281 CD GLU A 82 -7.384 -11.796 -4.791 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -6.481 -12.473 -5.325 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -8.534 -11.690 -5.268 1.00 0.00 O ATOM 0 H GLU A 82 -4.369 -8.445 -1.881 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.063 -8.099 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.288 -9.475 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.097 -10.260 -3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.630 -11.765 -2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.999 -10.705 -3.057 1.00 0.00 H new ATOM 1290 N ALA A 83 -7.958 -9.158 -0.946 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.485 -9.679 0.309 1.00 0.00 C ATOM 1292 C ALA A 83 -9.076 -11.072 0.122 1.00 0.00 C ATOM 1293 O ALA A 83 -8.976 -11.660 -0.955 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.532 -8.731 0.875 1.00 0.00 C ATOM 0 H ALA A 83 -8.627 -8.613 -1.490 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.659 -9.756 1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.917 -9.132 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.080 -7.756 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.350 -8.625 0.162 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.691 -11.595 1.176 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.299 -12.920 1.129 1.00 0.00 C ATOM 1302 C LYS A 84 -11.813 -12.818 0.965 1.00 0.00 C ATOM 1303 O LYS A 84 -12.427 -13.627 0.270 1.00 0.00 O ATOM 1304 CB LYS A 84 -9.965 -13.704 2.400 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.460 -13.039 3.672 1.00 0.00 C ATOM 1306 CD LYS A 84 -10.591 -14.038 4.809 1.00 0.00 C ATOM 1307 CE LYS A 84 -11.901 -14.806 4.729 1.00 0.00 C ATOM 1308 NZ LYS A 84 -11.811 -15.962 3.794 1.00 0.00 N ATOM 0 H LYS A 84 -9.782 -11.121 2.075 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.892 -13.448 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.401 -14.700 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.885 -13.833 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.770 -12.246 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.426 -12.569 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.756 -14.738 4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.533 -13.514 5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.174 -15.163 5.722 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.696 -14.135 4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.414 -16.735 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.130 -15.669 2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.825 -16.289 3.741 1.00 0.00 H new ATOM 1322 N SER A 85 -12.407 -11.818 1.608 1.00 0.00 N ATOM 1323 CA SER A 85 -13.849 -11.613 1.536 1.00 0.00 C ATOM 1324 C SER A 85 -14.173 -10.174 1.147 1.00 0.00 C ATOM 1325 O SER A 85 -13.339 -9.279 1.284 1.00 0.00 O ATOM 1326 CB SER A 85 -14.502 -11.950 2.878 1.00 0.00 C ATOM 1327 OG SER A 85 -13.907 -11.215 3.933 1.00 0.00 O ATOM 0 H SER A 85 -11.912 -11.137 2.184 1.00 0.00 H new ATOM 0 HA SER A 85 -14.248 -12.278 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.568 -11.729 2.833 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.406 -13.018 3.075 1.00 0.00 H new ATOM 0 HG SER A 85 -14.343 -11.447 4.780 1.00 0.00 H new ATOM 1333 N SER A 86 -15.392 -9.959 0.662 1.00 0.00 N ATOM 1334 CA SER A 86 -15.827 -8.630 0.249 1.00 0.00 C ATOM 1335 C SER A 86 -15.742 -7.645 1.411 1.00 0.00 C ATOM 1336 O SER A 86 -15.250 -6.528 1.257 1.00 0.00 O ATOM 1337 CB SER A 86 -17.259 -8.682 -0.286 1.00 0.00 C ATOM 1338 OG SER A 86 -18.189 -8.884 0.764 1.00 0.00 O ATOM 0 H SER A 86 -16.096 -10.688 0.546 1.00 0.00 H new ATOM 0 HA SER A 86 -15.163 -8.288 -0.544 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.490 -7.753 -0.807 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.349 -9.487 -1.015 1.00 0.00 H new ATOM 0 HG SER A 86 -19.097 -8.912 0.396 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.225 -8.069 2.575 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.204 -7.225 3.763 1.00 0.00 C ATOM 1346 C GLU A 87 -14.779 -6.803 4.106 1.00 0.00 C ATOM 1347 O GLU A 87 -14.547 -5.690 4.579 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.829 -7.961 4.950 1.00 0.00 C ATOM 1349 CG GLU A 87 -18.296 -8.304 4.749 1.00 0.00 C ATOM 1350 CD GLU A 87 -19.131 -7.098 4.367 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -18.871 -6.001 4.904 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -20.045 -7.251 3.529 1.00 0.00 O ATOM 0 H GLU A 87 -16.635 -8.992 2.720 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.788 -6.330 3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.271 -8.880 5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.728 -7.345 5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.384 -9.063 3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.692 -8.739 5.666 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.828 -7.699 3.864 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.425 -7.420 4.149 1.00 0.00 C ATOM 1361 C GLU A 88 -11.906 -6.287 3.268 1.00 0.00 C ATOM 1362 O GLU A 88 -11.358 -5.303 3.764 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.578 -8.677 3.933 1.00 0.00 C ATOM 1364 CG GLU A 88 -10.258 -8.657 4.685 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.609 -10.025 4.760 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -9.972 -10.806 5.665 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -8.738 -10.315 3.914 1.00 0.00 O ATOM 0 H GLU A 88 -14.003 -8.624 3.471 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.347 -7.112 5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.152 -9.550 4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.378 -8.792 2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.576 -7.962 4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.425 -8.282 5.695 1.00 0.00 H new ATOM 1374 N MET A 89 -12.083 -6.434 1.959 1.00 0.00 N ATOM 1375 CA MET A 89 -11.634 -5.423 1.009 1.00 0.00 C ATOM 1376 C MET A 89 -12.264 -4.069 1.318 1.00 0.00 C ATOM 1377 O MET A 89 -11.655 -3.024 1.092 1.00 0.00 O ATOM 1378 CB MET A 89 -11.979 -5.846 -0.420 1.00 0.00 C ATOM 1379 CG MET A 89 -13.470 -5.823 -0.717 1.00 0.00 C ATOM 1380 SD MET A 89 -13.826 -5.522 -2.459 1.00 0.00 S ATOM 1381 CE MET A 89 -12.783 -4.101 -2.777 1.00 0.00 C ATOM 0 H MET A 89 -12.534 -7.243 1.532 1.00 0.00 H new ATOM 0 HA MET A 89 -10.552 -5.329 1.101 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.467 -5.185 -1.119 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.597 -6.852 -0.595 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.911 -6.774 -0.419 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.945 -5.049 -0.114 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.244 -3.475 -3.541 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.663 -3.525 -1.859 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.806 -4.437 -3.124 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.489 -4.095 1.835 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.181 -2.863 2.165 1.00 0.00 C ATOM 1393 C GLY A 90 -13.520 -2.114 3.305 1.00 0.00 C ATOM 1394 O GLY A 90 -13.606 -0.889 3.385 1.00 0.00 O ATOM 0 H GLY A 90 -14.014 -4.947 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.215 -2.222 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.213 -3.090 2.433 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.859 -2.852 4.192 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.181 -2.250 5.334 1.00 0.00 C ATOM 1400 C HIS A 91 -10.830 -1.673 4.922 1.00 0.00 C ATOM 1401 O HIS A 91 -10.347 -0.711 5.519 1.00 0.00 O ATOM 1402 CB HIS A 91 -11.990 -3.285 6.444 1.00 0.00 C ATOM 1403 CG HIS A 91 -10.948 -2.899 7.449 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.161 -1.950 8.426 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.682 -3.342 7.626 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.069 -1.824 9.160 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.157 -2.659 8.695 1.00 0.00 N ATOM 0 H HIS A 91 -12.779 -3.868 4.141 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.804 -1.438 5.708 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.940 -3.435 6.957 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.715 -4.240 5.996 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.178 -4.093 7.036 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.944 -1.153 9.997 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.216 -2.777 9.069 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.226 -2.267 3.899 1.00 0.00 N ATOM 1417 CA TRP A 92 -8.930 -1.812 3.408 1.00 0.00 C ATOM 1418 C TRP A 92 -9.088 -0.599 2.499 1.00 0.00 C ATOM 1419 O TRP A 92 -8.333 0.369 2.601 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.222 -2.940 2.656 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.599 -3.958 3.563 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -8.166 -5.122 4.000 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.291 -3.904 4.143 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -7.289 -5.793 4.818 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -6.132 -5.067 4.921 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.239 -2.986 4.080 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.963 -5.334 5.630 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -4.081 -3.252 4.785 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.950 -4.418 5.550 1.00 0.00 C ATOM 0 H TRP A 92 -10.612 -3.064 3.394 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.325 -1.522 4.267 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.938 -3.437 2.002 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.450 -2.512 2.017 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.157 -5.464 3.741 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.470 -6.687 5.275 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.330 -2.085 3.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.860 -6.232 6.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.262 -2.549 4.746 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.031 -4.598 6.088 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.073 -0.656 1.609 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.330 0.439 0.681 1.00 0.00 C ATOM 1442 C LEU A 93 -10.342 1.779 1.409 1.00 0.00 C ATOM 1443 O LEU A 93 -9.541 2.665 1.114 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.664 0.224 -0.036 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.627 -0.688 -1.263 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -12.997 -0.755 -1.920 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.580 -0.205 -2.256 1.00 0.00 C ATOM 0 H LEU A 93 -10.707 -1.449 1.511 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.527 0.454 -0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.375 -0.190 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.050 1.196 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.354 -1.692 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.951 -1.408 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.723 -1.149 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.300 0.244 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.568 -0.866 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.822 0.808 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.599 -0.211 -1.782 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.256 1.920 2.365 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.353 3.154 3.123 1.00 0.00 C ATOM 1461 C GLY A 94 -10.159 3.373 4.030 1.00 0.00 C ATOM 1462 O GLY A 94 -9.726 4.508 4.237 1.00 0.00 O ATOM 0 H GLY A 94 -11.931 1.202 2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.441 3.994 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.263 3.138 3.723 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.624 2.285 4.575 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.473 2.364 5.467 1.00 0.00 C ATOM 1468 C LEU A 95 -7.290 3.032 4.773 1.00 0.00 C ATOM 1469 O LEU A 95 -6.676 3.951 5.316 1.00 0.00 O ATOM 1470 CB LEU A 95 -8.076 0.965 5.943 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.676 0.833 6.544 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.712 1.094 8.042 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -6.099 -0.545 6.255 1.00 0.00 C ATOM 0 H LEU A 95 -9.969 1.339 4.415 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.753 2.969 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.802 0.637 6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.153 0.280 5.099 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.031 1.579 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.707 0.996 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.083 2.102 8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.372 0.371 8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.102 -0.621 6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.744 -1.308 6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.037 -0.695 5.177 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.978 2.566 3.569 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.870 3.119 2.798 1.00 0.00 C ATOM 1487 C LEU A 96 -6.194 4.529 2.313 1.00 0.00 C ATOM 1488 O LEU A 96 -5.409 5.458 2.502 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.552 2.217 1.604 1.00 0.00 C ATOM 1490 CG LEU A 96 -5.011 0.827 1.939 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.157 -0.104 0.745 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.555 0.912 2.375 1.00 0.00 C ATOM 0 H LEU A 96 -7.477 1.807 3.105 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.997 3.170 3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.459 2.099 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.823 2.726 0.973 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.594 0.421 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.767 -1.089 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.210 -0.190 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.599 0.298 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.187 -0.087 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.958 1.339 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.476 1.545 3.259 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.357 4.680 1.689 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.788 5.977 1.179 1.00 0.00 C ATOM 1506 C LEU A 97 -7.522 7.080 2.199 1.00 0.00 C ATOM 1507 O LEU A 97 -6.913 8.101 1.879 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.276 5.941 0.827 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.620 5.483 -0.591 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -11.029 4.912 -0.640 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.475 6.635 -1.573 1.00 0.00 C ATOM 0 H LEU A 97 -8.018 3.921 1.524 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.213 6.194 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.780 5.281 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.688 6.939 0.975 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.921 4.697 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.256 4.591 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.099 4.058 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.742 5.677 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.724 6.291 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.150 7.443 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.448 6.999 -1.558 1.00 0.00 H new ATOM 1523 N SER A 98 -7.980 6.865 3.428 1.00 0.00 N ATOM 1524 CA SER A 98 -7.793 7.841 4.495 1.00 0.00 C ATOM 1525 C SER A 98 -6.324 8.233 4.621 1.00 0.00 C ATOM 1526 O SER A 98 -5.996 9.409 4.774 1.00 0.00 O ATOM 1527 CB SER A 98 -8.299 7.278 5.824 1.00 0.00 C ATOM 1528 OG SER A 98 -7.391 6.327 6.353 1.00 0.00 O ATOM 0 H SER A 98 -8.483 6.024 3.709 1.00 0.00 H new ATOM 0 HA SER A 98 -8.368 8.732 4.244 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.437 8.090 6.538 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.274 6.813 5.678 1.00 0.00 H new ATOM 0 HG SER A 98 -7.324 5.564 5.742 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.445 7.238 4.556 1.00 0.00 N ATOM 1535 CA GLU A 99 -4.011 7.478 4.664 1.00 0.00 C ATOM 1536 C GLU A 99 -3.489 8.218 3.436 1.00 0.00 C ATOM 1537 O GLU A 99 -2.728 9.178 3.554 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.261 6.155 4.833 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.729 5.337 6.025 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.667 6.114 7.326 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -4.380 7.132 7.445 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -2.904 5.703 8.226 1.00 0.00 O ATOM 0 H GLU A 99 -5.701 6.259 4.429 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.838 8.100 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.380 5.561 3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.196 6.362 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.753 5.004 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.113 4.442 6.111 1.00 0.00 H new ATOM 1549 N SER A 100 -3.904 7.763 2.258 1.00 0.00 N ATOM 1550 CA SER A 100 -3.475 8.378 1.007 1.00 0.00 C ATOM 1551 C SER A 100 -4.192 9.706 0.781 1.00 0.00 C ATOM 1552 O SER A 100 -5.148 9.785 0.011 1.00 0.00 O ATOM 1553 CB SER A 100 -3.743 7.435 -0.167 1.00 0.00 C ATOM 1554 OG SER A 100 -5.133 7.245 -0.362 1.00 0.00 O ATOM 0 H SER A 100 -4.537 6.971 2.144 1.00 0.00 H new ATOM 0 HA SER A 100 -2.404 8.570 1.073 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.298 7.843 -1.074 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.264 6.474 0.018 1.00 0.00 H new ATOM 0 HG SER A 100 -5.559 8.109 -0.544 1.00 0.00 H new ATOM 1560 N GLY A 101 -3.722 10.748 1.460 1.00 0.00 N ATOM 1561 CA GLY A 101 -4.330 12.059 1.321 1.00 0.00 C ATOM 1562 C GLY A 101 -4.797 12.625 2.647 1.00 0.00 C ATOM 1563 O GLY A 101 -5.927 12.381 3.070 1.00 0.00 O ATOM 0 H GLY A 101 -2.932 10.708 2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.611 12.743 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.178 11.992 0.639 1.00 0.00 H new ATOM 1567 N SER A 102 -3.925 13.382 3.306 1.00 0.00 N ATOM 1568 CA SER A 102 -4.253 13.980 4.595 1.00 0.00 C ATOM 1569 C SER A 102 -3.340 15.165 4.892 1.00 0.00 C ATOM 1570 O SER A 102 -2.141 15.124 4.619 1.00 0.00 O ATOM 1571 CB SER A 102 -4.135 12.938 5.709 1.00 0.00 C ATOM 1572 OG SER A 102 -4.995 11.838 5.472 1.00 0.00 O ATOM 0 H SER A 102 -2.986 13.596 2.969 1.00 0.00 H new ATOM 0 HA SER A 102 -5.281 14.339 4.550 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.104 12.590 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.381 13.396 6.667 1.00 0.00 H new ATOM 0 HG SER A 102 -5.677 12.091 4.815 1.00 0.00 H new ATOM 1578 N GLY A 103 -3.917 16.223 5.454 1.00 0.00 N ATOM 1579 CA GLY A 103 -3.142 17.406 5.779 1.00 0.00 C ATOM 1580 C GLY A 103 -3.681 18.655 5.109 1.00 0.00 C ATOM 1581 O GLY A 103 -4.867 18.753 4.795 1.00 0.00 O ATOM 0 H GLY A 103 -4.908 16.282 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.140 17.549 6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.106 17.253 5.475 1.00 0.00 H new ATOM 1585 N PRO A 104 -2.798 19.638 4.884 1.00 0.00 N ATOM 1586 CA PRO A 104 -3.169 20.905 4.246 1.00 0.00 C ATOM 1587 C PRO A 104 -3.504 20.734 2.768 1.00 0.00 C ATOM 1588 O PRO A 104 -3.788 21.707 2.070 1.00 0.00 O ATOM 1589 CB PRO A 104 -1.915 21.767 4.414 1.00 0.00 C ATOM 1590 CG PRO A 104 -0.797 20.790 4.531 1.00 0.00 C ATOM 1591 CD PRO A 104 -1.368 19.589 5.233 1.00 0.00 C ATOM 0 HA PRO A 104 -4.064 21.339 4.692 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.773 22.430 3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -1.984 22.398 5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -0.410 20.520 3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 104 0.034 21.213 5.095 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.902 18.665 4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -1.215 19.643 6.311 1.00 0.00 H new ATOM 1599 N SER A 105 -3.470 19.491 2.299 1.00 0.00 N ATOM 1600 CA SER A 105 -3.767 19.193 0.903 1.00 0.00 C ATOM 1601 C SER A 105 -5.061 18.393 0.781 1.00 0.00 C ATOM 1602 O SER A 105 -5.137 17.244 1.216 1.00 0.00 O ATOM 1603 CB SER A 105 -2.613 18.416 0.268 1.00 0.00 C ATOM 1604 OG SER A 105 -2.762 18.339 -1.139 1.00 0.00 O ATOM 0 H SER A 105 -3.240 18.674 2.865 1.00 0.00 H new ATOM 0 HA SER A 105 -3.893 20.138 0.375 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.667 18.901 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.573 17.411 0.688 1.00 0.00 H new ATOM 0 HG SER A 105 -2.011 17.839 -1.521 1.00 0.00 H new ATOM 1610 N SER A 106 -6.077 19.011 0.187 1.00 0.00 N ATOM 1611 CA SER A 106 -7.370 18.359 0.011 1.00 0.00 C ATOM 1612 C SER A 106 -8.077 18.185 1.352 1.00 0.00 C ATOM 1613 O SER A 106 -8.628 17.124 1.643 1.00 0.00 O ATOM 1614 CB SER A 106 -7.191 16.998 -0.665 1.00 0.00 C ATOM 1615 OG SER A 106 -8.372 16.607 -1.343 1.00 0.00 O ATOM 0 H SER A 106 -6.030 19.961 -0.180 1.00 0.00 H new ATOM 0 HA SER A 106 -7.986 18.994 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.361 17.045 -1.370 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.932 16.248 0.083 1.00 0.00 H new ATOM 0 HG SER A 106 -8.232 15.735 -1.768 1.00 0.00 H new ATOM 1621 N GLY A 107 -8.058 19.236 2.165 1.00 0.00 N ATOM 1622 CA GLY A 107 -8.700 19.180 3.465 1.00 0.00 C ATOM 1623 C GLY A 107 -8.826 20.547 4.109 1.00 0.00 C ATOM 1624 O GLY A 107 -9.907 21.137 4.121 1.00 0.00 O ATOM 0 H GLY A 107 -7.609 20.126 1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -9.691 18.739 3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -8.128 18.524 4.121 1.00 0.00 H new TER 1628 GLY A 107