USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 957 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 49 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 GLN : amide:sc= -0.447 K(o=-0.35,f=-3.9!) USER MOD Set 1.3: A 101 LYS NZ :NH3+ -123:sc= 0.0997 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0424 (180deg=0) 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= -0.0897 USER MOD Single : A 6 SER OG : rot 180:sc= -0.255 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00349 USER MOD Single : A 14 HIS : no HD1:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 17 GLN : amide:sc= -1.55 X(o=-1.6,f=-1.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.317 K(o=0.32,f=-2.2!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.319 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.842 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -59:sc= 0.774 USER MOD Single : A 57 SER OG : rot 123:sc= 0.429 USER MOD Single : A 62 SER OG : rot 117:sc= -1.52 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= 0.678 F(o=0.11,f=0.68) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.205 K(o=-0.21,f=-3.5!) USER MOD Single : A 83 HIS : no HD1:sc= -0.015 X(o=-0.015,f=-0.076) USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= -1.29 (180deg=-1.4) USER MOD Single : A 92 SER OG : rot 95:sc= 0.142 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -0.226 X(o=-0.23,f=-0.31) USER MOD Single : A 99 THR OG1 : rot 77:sc= 0.0475 USER MOD Single : A 108 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.37) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 163:sc= 0.0553 (180deg=0.012) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 49:sc= 0.274 USER MOD Single : A 126 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.966 32.841 -7.956 1.00 0.00 N ATOM 2 CA GLY A 1 -12.451 34.247 -8.041 1.00 0.00 C ATOM 3 C GLY A 1 -11.549 35.216 -7.301 1.00 0.00 C ATOM 4 O GLY A 1 -10.391 34.906 -7.019 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.035 32.393 -8.892 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.975 32.834 -7.641 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.549 32.313 -7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.516 34.543 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.459 34.306 -7.629 1.00 0.00 H new ATOM 10 N SER A 2 -12.080 36.392 -6.986 1.00 0.00 N ATOM 11 CA SER A 2 -11.316 37.410 -6.274 1.00 0.00 C ATOM 12 C SER A 2 -11.673 37.420 -4.792 1.00 0.00 C ATOM 13 O SER A 2 -10.813 37.624 -3.936 1.00 0.00 O ATOM 14 CB SER A 2 -11.575 38.790 -6.882 1.00 0.00 C ATOM 15 OG SER A 2 -10.663 39.749 -6.377 1.00 0.00 O ATOM 0 H SER A 2 -13.037 36.664 -7.212 1.00 0.00 H new ATOM 0 HA SER A 2 -10.257 37.170 -6.373 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.486 38.735 -7.967 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.596 39.102 -6.661 1.00 0.00 H new ATOM 0 HG SER A 2 -10.848 40.622 -6.782 1.00 0.00 H new ATOM 21 N SER A 3 -12.950 37.195 -4.495 1.00 0.00 N ATOM 22 CA SER A 3 -13.424 37.177 -3.116 1.00 0.00 C ATOM 23 C SER A 3 -14.582 36.200 -2.954 1.00 0.00 C ATOM 24 O SER A 3 -14.577 35.357 -2.057 1.00 0.00 O ATOM 25 CB SER A 3 -13.857 38.579 -2.684 1.00 0.00 C ATOM 26 OG SER A 3 -13.930 38.679 -1.272 1.00 0.00 O ATOM 0 H SER A 3 -13.675 37.023 -5.192 1.00 0.00 H new ATOM 0 HA SER A 3 -12.603 36.848 -2.479 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.151 39.315 -3.068 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.829 38.813 -3.119 1.00 0.00 H new ATOM 0 HG SER A 3 -14.207 39.585 -1.022 1.00 0.00 H new ATOM 32 N GLY A 4 -15.576 36.319 -3.829 1.00 0.00 N ATOM 33 CA GLY A 4 -16.728 35.439 -3.767 1.00 0.00 C ATOM 34 C GLY A 4 -17.856 36.015 -2.934 1.00 0.00 C ATOM 35 O GLY A 4 -18.145 37.210 -3.008 1.00 0.00 O ATOM 0 H GLY A 4 -15.604 37.009 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.089 35.247 -4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.425 34.479 -3.349 1.00 0.00 H new ATOM 39 N SER A 5 -18.495 35.164 -2.138 1.00 0.00 N ATOM 40 CA SER A 5 -19.598 35.593 -1.286 1.00 0.00 C ATOM 41 C SER A 5 -19.154 35.694 0.169 1.00 0.00 C ATOM 42 O SER A 5 -19.086 36.787 0.734 1.00 0.00 O ATOM 43 CB SER A 5 -20.771 34.618 -1.407 1.00 0.00 C ATOM 44 OG SER A 5 -20.398 33.316 -0.986 1.00 0.00 O ATOM 0 H SER A 5 -18.268 34.172 -2.065 1.00 0.00 H new ATOM 0 HA SER A 5 -19.919 36.580 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.607 34.973 -0.804 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.115 34.585 -2.441 1.00 0.00 H new ATOM 0 HG SER A 5 -21.165 32.712 -1.071 1.00 0.00 H new ATOM 50 N SER A 6 -18.851 34.549 0.771 1.00 0.00 N ATOM 51 CA SER A 6 -18.413 34.507 2.161 1.00 0.00 C ATOM 52 C SER A 6 -17.620 33.236 2.444 1.00 0.00 C ATOM 53 O SER A 6 -16.519 33.288 2.992 1.00 0.00 O ATOM 54 CB SER A 6 -19.618 34.592 3.100 1.00 0.00 C ATOM 55 OG SER A 6 -20.417 33.425 3.011 1.00 0.00 O ATOM 0 H SER A 6 -18.901 33.637 0.317 1.00 0.00 H new ATOM 0 HA SER A 6 -17.763 35.364 2.337 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.275 34.724 4.126 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.218 35.467 2.849 1.00 0.00 H new ATOM 0 HG SER A 6 -21.179 33.503 3.622 1.00 0.00 H new ATOM 61 N GLY A 7 -18.189 32.095 2.067 1.00 0.00 N ATOM 62 CA GLY A 7 -17.521 30.825 2.289 1.00 0.00 C ATOM 63 C GLY A 7 -18.052 29.726 1.390 1.00 0.00 C ATOM 64 O GLY A 7 -18.852 29.982 0.490 1.00 0.00 O ATOM 0 H GLY A 7 -19.100 32.027 1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.451 30.946 2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.645 30.530 3.331 1.00 0.00 H new ATOM 68 N ASP A 8 -17.604 28.498 1.634 1.00 0.00 N ATOM 69 CA ASP A 8 -18.040 27.355 0.839 1.00 0.00 C ATOM 70 C ASP A 8 -17.608 26.044 1.490 1.00 0.00 C ATOM 71 O ASP A 8 -18.380 25.086 1.548 1.00 0.00 O ATOM 72 CB ASP A 8 -17.470 27.446 -0.578 1.00 0.00 C ATOM 73 CG ASP A 8 -18.460 26.986 -1.630 1.00 0.00 C ATOM 74 OD1 ASP A 8 -19.098 25.931 -1.424 1.00 0.00 O ATOM 75 OD2 ASP A 8 -18.597 27.679 -2.659 1.00 0.00 O ATOM 0 H ASP A 8 -16.941 28.269 2.374 1.00 0.00 H new ATOM 0 HA ASP A 8 -19.129 27.373 0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -17.178 28.476 -0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.567 26.839 -0.643 1.00 0.00 H new ATOM 80 N ARG A 9 -16.372 26.009 1.977 1.00 0.00 N ATOM 81 CA ARG A 9 -15.840 24.815 2.623 1.00 0.00 C ATOM 82 C ARG A 9 -16.681 24.431 3.836 1.00 0.00 C ATOM 83 O ARG A 9 -16.457 24.924 4.941 1.00 0.00 O ATOM 84 CB ARG A 9 -14.388 25.045 3.047 1.00 0.00 C ATOM 85 CG ARG A 9 -13.394 24.935 1.902 1.00 0.00 C ATOM 86 CD ARG A 9 -13.045 26.300 1.332 1.00 0.00 C ATOM 87 NE ARG A 9 -13.706 26.545 0.053 1.00 0.00 N ATOM 88 CZ ARG A 9 -13.860 27.752 -0.484 1.00 0.00 C ATOM 89 NH1 ARG A 9 -13.400 28.829 0.145 1.00 0.00 N ATOM 90 NH2 ARG A 9 -14.472 27.886 -1.652 1.00 0.00 N ATOM 0 H ARG A 9 -15.721 26.793 1.937 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.877 23.996 1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.302 26.034 3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.124 24.320 3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.487 24.444 2.253 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.812 24.307 1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.333 27.074 2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.965 26.373 1.202 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.072 25.742 -0.459 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.927 28.732 1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.520 29.753 -0.271 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.825 27.063 -2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.590 28.812 -2.063 1.00 0.00 H new ATOM 104 N ARG A 10 -17.650 23.547 3.621 1.00 0.00 N ATOM 105 CA ARG A 10 -18.525 23.096 4.696 1.00 0.00 C ATOM 106 C ARG A 10 -18.634 21.573 4.708 1.00 0.00 C ATOM 107 O ARG A 10 -18.534 20.943 5.760 1.00 0.00 O ATOM 108 CB ARG A 10 -19.915 23.715 4.546 1.00 0.00 C ATOM 109 CG ARG A 10 -20.739 23.680 5.822 1.00 0.00 C ATOM 110 CD ARG A 10 -20.245 24.702 6.832 1.00 0.00 C ATOM 111 NE ARG A 10 -21.165 24.848 7.958 1.00 0.00 N ATOM 112 CZ ARG A 10 -21.141 25.874 8.807 1.00 0.00 C ATOM 113 NH1 ARG A 10 -20.247 26.844 8.661 1.00 0.00 N ATOM 114 NH2 ARG A 10 -22.014 25.930 9.803 1.00 0.00 N ATOM 0 H ARG A 10 -17.849 23.129 2.712 1.00 0.00 H new ATOM 0 HA ARG A 10 -18.091 23.420 5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -19.809 24.750 4.220 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -20.455 23.187 3.760 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -21.785 23.876 5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -20.692 22.683 6.259 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -19.265 24.402 7.202 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -20.119 25.666 6.340 1.00 0.00 H new ATOM 0 HE ARG A 10 -21.867 24.122 8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -19.574 26.806 7.896 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -20.233 27.627 9.314 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -22.704 25.188 9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -21.996 26.716 10.453 1.00 0.00 H new ATOM 128 N SER A 11 -18.838 20.991 3.531 1.00 0.00 N ATOM 129 CA SER A 11 -18.960 19.542 3.404 1.00 0.00 C ATOM 130 C SER A 11 -20.179 19.030 4.166 1.00 0.00 C ATOM 131 O SER A 11 -20.301 19.236 5.373 1.00 0.00 O ATOM 132 CB SER A 11 -17.695 18.853 3.921 1.00 0.00 C ATOM 133 OG SER A 11 -16.770 18.631 2.871 1.00 0.00 O ATOM 0 H SER A 11 -18.922 21.500 2.651 1.00 0.00 H new ATOM 0 HA SER A 11 -19.087 19.305 2.348 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.232 19.467 4.694 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.959 17.902 4.385 1.00 0.00 H new ATOM 0 HG SER A 11 -15.970 18.191 3.227 1.00 0.00 H new ATOM 139 N THR A 12 -21.078 18.361 3.451 1.00 0.00 N ATOM 140 CA THR A 12 -22.288 17.819 4.058 1.00 0.00 C ATOM 141 C THR A 12 -21.944 16.823 5.162 1.00 0.00 C ATOM 142 O THR A 12 -22.409 16.952 6.295 1.00 0.00 O ATOM 143 CB THR A 12 -23.157 17.141 2.998 1.00 0.00 C ATOM 144 OG1 THR A 12 -23.202 17.920 1.815 1.00 0.00 O ATOM 145 CG2 THR A 12 -24.582 16.910 3.451 1.00 0.00 C ATOM 0 H THR A 12 -20.991 18.181 2.451 1.00 0.00 H new ATOM 0 HA THR A 12 -22.844 18.646 4.499 1.00 0.00 H new ATOM 0 HB THR A 12 -22.690 16.173 2.816 1.00 0.00 H new ATOM 0 HG1 THR A 12 -23.761 17.470 1.148 1.00 0.00 H new ATOM 0 HG21 THR A 12 -25.144 16.426 2.652 1.00 0.00 H new ATOM 0 HG22 THR A 12 -24.584 16.271 4.334 1.00 0.00 H new ATOM 0 HG23 THR A 12 -25.046 17.866 3.693 1.00 0.00 H new ATOM 153 N LEU A 13 -21.128 15.830 4.825 1.00 0.00 N ATOM 154 CA LEU A 13 -20.723 14.813 5.786 1.00 0.00 C ATOM 155 C LEU A 13 -19.598 15.326 6.679 1.00 0.00 C ATOM 156 O LEU A 13 -18.482 15.559 6.214 1.00 0.00 O ATOM 157 CB LEU A 13 -20.277 13.543 5.060 1.00 0.00 C ATOM 158 CG LEU A 13 -21.352 12.876 4.201 1.00 0.00 C ATOM 159 CD1 LEU A 13 -20.716 11.996 3.138 1.00 0.00 C ATOM 160 CD2 LEU A 13 -22.300 12.064 5.072 1.00 0.00 C ATOM 0 H LEU A 13 -20.734 15.709 3.892 1.00 0.00 H new ATOM 0 HA LEU A 13 -21.583 14.579 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -19.425 13.786 4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -19.927 12.824 5.800 1.00 0.00 H new ATOM 0 HG LEU A 13 -21.927 13.655 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -21.497 11.530 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -20.078 12.604 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -20.116 11.222 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -23.059 11.596 4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -21.739 11.293 5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -22.782 12.721 5.796 1.00 0.00 H new ATOM 172 N HIS A 14 -19.898 15.499 7.962 1.00 0.00 N ATOM 173 CA HIS A 14 -18.911 15.984 8.919 1.00 0.00 C ATOM 174 C HIS A 14 -18.291 14.826 9.696 1.00 0.00 C ATOM 175 O HIS A 14 -17.987 14.954 10.882 1.00 0.00 O ATOM 176 CB HIS A 14 -19.555 16.980 9.887 1.00 0.00 C ATOM 177 CG HIS A 14 -18.771 18.244 10.055 1.00 0.00 C ATOM 178 ND1 HIS A 14 -19.345 19.498 10.015 1.00 0.00 N ATOM 179 CD2 HIS A 14 -17.447 18.444 10.264 1.00 0.00 C ATOM 180 CE1 HIS A 14 -18.409 20.413 10.193 1.00 0.00 C ATOM 181 NE2 HIS A 14 -17.250 19.800 10.347 1.00 0.00 N ATOM 0 H HIS A 14 -20.817 15.310 8.363 1.00 0.00 H new ATOM 0 HA HIS A 14 -18.120 16.488 8.364 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -20.555 17.227 9.529 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -19.673 16.504 10.860 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -16.689 17.680 10.349 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -18.565 21.481 10.210 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -16.353 20.260 10.503 1.00 0.00 H new ATOM 190 N LEU A 15 -18.109 13.697 9.020 1.00 0.00 N ATOM 191 CA LEU A 15 -17.526 12.516 9.647 1.00 0.00 C ATOM 192 C LEU A 15 -16.017 12.676 9.809 1.00 0.00 C ATOM 193 O LEU A 15 -15.367 13.362 9.020 1.00 0.00 O ATOM 194 CB LEU A 15 -17.834 11.268 8.816 1.00 0.00 C ATOM 195 CG LEU A 15 -18.205 10.027 9.629 1.00 0.00 C ATOM 196 CD1 LEU A 15 -19.510 10.250 10.378 1.00 0.00 C ATOM 197 CD2 LEU A 15 -18.311 8.809 8.722 1.00 0.00 C ATOM 0 H LEU A 15 -18.357 13.574 8.038 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.969 12.403 10.636 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.654 11.496 8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -16.964 11.035 8.201 1.00 0.00 H new ATOM 0 HG LEU A 15 -17.417 9.845 10.360 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -19.758 9.356 10.951 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -19.400 11.097 11.056 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -20.308 10.457 9.665 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.576 7.935 9.317 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.080 8.982 7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -17.354 8.637 8.230 1.00 0.00 H new ATOM 209 N LEU A 16 -15.466 12.040 10.838 1.00 0.00 N ATOM 210 CA LEU A 16 -14.034 12.113 11.103 1.00 0.00 C ATOM 211 C LEU A 16 -13.592 10.978 12.021 1.00 0.00 C ATOM 212 O LEU A 16 -14.383 10.460 12.810 1.00 0.00 O ATOM 213 CB LEU A 16 -13.680 13.462 11.732 1.00 0.00 C ATOM 214 CG LEU A 16 -12.269 13.970 11.423 1.00 0.00 C ATOM 215 CD1 LEU A 16 -12.296 15.450 11.076 1.00 0.00 C ATOM 216 CD2 LEU A 16 -11.341 13.714 12.600 1.00 0.00 C ATOM 0 H LEU A 16 -15.989 11.469 11.501 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.508 12.013 10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.400 14.205 11.390 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.793 13.382 12.813 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.889 13.424 10.560 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.284 15.792 10.860 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.927 15.607 10.201 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.697 16.014 11.918 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.343 14.081 12.363 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.719 14.233 13.481 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.295 12.644 12.801 1.00 0.00 H new ATOM 228 N GLN A 17 -12.325 10.596 11.910 1.00 0.00 N ATOM 229 CA GLN A 17 -11.777 9.521 12.728 1.00 0.00 C ATOM 230 C GLN A 17 -10.253 9.501 12.653 1.00 0.00 C ATOM 231 O GLN A 17 -9.635 8.436 12.658 1.00 0.00 O ATOM 232 CB GLN A 17 -12.339 8.172 12.277 1.00 0.00 C ATOM 233 CG GLN A 17 -12.075 7.862 10.813 1.00 0.00 C ATOM 234 CD GLN A 17 -13.000 8.619 9.881 1.00 0.00 C ATOM 235 OE1 GLN A 17 -14.188 8.312 9.781 1.00 0.00 O ATOM 236 NE2 GLN A 17 -12.458 9.615 9.190 1.00 0.00 N ATOM 0 H GLN A 17 -11.658 11.015 11.262 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.069 9.701 13.763 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.904 7.383 12.891 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.414 8.158 12.455 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.041 8.110 10.574 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.193 6.791 10.645 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.469 9.835 9.304 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.031 10.160 8.546 1.00 0.00 H new ATOM 245 N GLY A 18 -9.653 10.684 12.583 1.00 0.00 N ATOM 246 CA GLY A 18 -8.207 10.779 12.508 1.00 0.00 C ATOM 247 C GLY A 18 -7.745 11.941 11.648 1.00 0.00 C ATOM 248 O GLY A 18 -8.559 12.739 11.182 1.00 0.00 O ATOM 0 H GLY A 18 -10.142 11.579 12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.801 10.891 13.513 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.805 9.850 12.104 1.00 0.00 H new ATOM 252 N GLY A 19 -6.437 12.034 11.438 1.00 0.00 N ATOM 253 CA GLY A 19 -5.890 13.108 10.630 1.00 0.00 C ATOM 254 C GLY A 19 -6.357 13.045 9.188 1.00 0.00 C ATOM 255 O GLY A 19 -7.523 12.761 8.918 1.00 0.00 O ATOM 0 H GLY A 19 -5.745 11.385 11.813 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.180 14.066 11.061 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.801 13.062 10.658 1.00 0.00 H new ATOM 259 N ASP A 20 -5.442 13.310 8.261 1.00 0.00 N ATOM 260 CA ASP A 20 -5.765 13.282 6.839 1.00 0.00 C ATOM 261 C ASP A 20 -5.259 11.995 6.192 1.00 0.00 C ATOM 262 O ASP A 20 -4.472 12.030 5.246 1.00 0.00 O ATOM 263 CB ASP A 20 -5.160 14.497 6.134 1.00 0.00 C ATOM 264 CG ASP A 20 -6.060 15.715 6.206 1.00 0.00 C ATOM 265 OD1 ASP A 20 -7.298 15.541 6.185 1.00 0.00 O ATOM 266 OD2 ASP A 20 -5.529 16.843 6.283 1.00 0.00 O ATOM 0 H ASP A 20 -4.472 13.546 8.469 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.850 13.316 6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.197 14.733 6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.970 14.250 5.089 1.00 0.00 H new ATOM 271 N GLU A 21 -5.718 10.860 6.710 1.00 0.00 N ATOM 272 CA GLU A 21 -5.313 9.561 6.184 1.00 0.00 C ATOM 273 C GLU A 21 -6.516 8.792 5.647 1.00 0.00 C ATOM 274 O GLU A 21 -7.370 8.343 6.412 1.00 0.00 O ATOM 275 CB GLU A 21 -4.614 8.744 7.271 1.00 0.00 C ATOM 276 CG GLU A 21 -3.109 8.951 7.316 1.00 0.00 C ATOM 277 CD GLU A 21 -2.714 10.172 8.124 1.00 0.00 C ATOM 278 OE1 GLU A 21 -2.655 11.276 7.543 1.00 0.00 O ATOM 279 OE2 GLU A 21 -2.465 10.024 9.339 1.00 0.00 O ATOM 0 H GLU A 21 -6.370 10.813 7.493 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.617 9.730 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.037 9.007 8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.822 7.686 7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.637 8.067 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.729 9.054 6.299 1.00 0.00 H new ATOM 286 N LYS A 22 -6.577 8.645 4.328 1.00 0.00 N ATOM 287 CA LYS A 22 -7.676 7.930 3.689 1.00 0.00 C ATOM 288 C LYS A 22 -7.346 6.448 3.538 1.00 0.00 C ATOM 289 O LYS A 22 -6.179 6.057 3.558 1.00 0.00 O ATOM 290 CB LYS A 22 -7.981 8.538 2.319 1.00 0.00 C ATOM 291 CG LYS A 22 -9.337 8.137 1.762 1.00 0.00 C ATOM 292 CD LYS A 22 -9.858 9.163 0.769 1.00 0.00 C ATOM 293 CE LYS A 22 -9.619 8.721 -0.666 1.00 0.00 C ATOM 294 NZ LYS A 22 -10.220 9.667 -1.646 1.00 0.00 N ATOM 0 H LYS A 22 -5.879 9.011 3.681 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.556 8.026 4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.936 9.624 2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.205 8.235 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.258 7.165 1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.049 8.027 2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.925 9.318 0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.367 10.121 0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.547 8.642 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.041 7.727 -0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.035 9.330 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.247 9.723 -1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.799 10.610 -1.522 1.00 0.00 H new ATOM 308 N LYS A 23 -8.381 5.628 3.388 1.00 0.00 N ATOM 309 CA LYS A 23 -8.201 4.190 3.234 1.00 0.00 C ATOM 310 C LYS A 23 -9.083 3.648 2.115 1.00 0.00 C ATOM 311 O LYS A 23 -10.204 4.117 1.911 1.00 0.00 O ATOM 312 CB LYS A 23 -8.519 3.472 4.548 1.00 0.00 C ATOM 313 CG LYS A 23 -7.389 2.585 5.045 1.00 0.00 C ATOM 314 CD LYS A 23 -7.282 2.616 6.562 1.00 0.00 C ATOM 315 CE LYS A 23 -5.907 2.168 7.031 1.00 0.00 C ATOM 316 NZ LYS A 23 -5.829 2.077 8.515 1.00 0.00 N ATOM 0 H LYS A 23 -9.353 5.935 3.370 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.160 4.004 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.750 4.215 5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.414 2.865 4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.556 1.561 4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.447 2.914 4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.479 3.626 6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.045 1.969 6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.673 1.197 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.154 2.869 6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.876 1.769 8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.027 3.009 8.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.530 1.389 8.858 1.00 0.00 H new ATOM 330 N VAL A 24 -8.571 2.659 1.390 1.00 0.00 N ATOM 331 CA VAL A 24 -9.311 2.053 0.290 1.00 0.00 C ATOM 332 C VAL A 24 -9.211 0.533 0.333 1.00 0.00 C ATOM 333 O VAL A 24 -8.295 -0.055 -0.242 1.00 0.00 O ATOM 334 CB VAL A 24 -8.800 2.552 -1.074 1.00 0.00 C ATOM 335 CG1 VAL A 24 -9.709 2.070 -2.193 1.00 0.00 C ATOM 336 CG2 VAL A 24 -8.692 4.069 -1.081 1.00 0.00 C ATOM 0 H VAL A 24 -7.645 2.260 1.545 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.353 2.350 0.409 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.805 2.139 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.332 2.432 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.730 0.980 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.717 2.451 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.329 4.403 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.673 4.504 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.996 4.388 -0.305 1.00 0.00 H new ATOM 346 N ASN A 25 -10.160 -0.099 1.016 1.00 0.00 N ATOM 347 CA ASN A 25 -10.178 -1.552 1.132 1.00 0.00 C ATOM 348 C ASN A 25 -10.738 -2.193 -0.133 1.00 0.00 C ATOM 349 O ASN A 25 -11.775 -1.771 -0.647 1.00 0.00 O ATOM 350 CB ASN A 25 -11.009 -1.978 2.344 1.00 0.00 C ATOM 351 CG ASN A 25 -12.398 -1.370 2.333 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.567 -0.174 2.570 1.00 0.00 O ATOM 353 ND2 ASN A 25 -13.403 -2.194 2.058 1.00 0.00 N ATOM 0 H ASN A 25 -10.926 0.372 1.497 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.151 -1.893 1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.091 -3.065 2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.493 -1.682 3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.360 -1.842 2.037 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.218 -3.179 1.867 1.00 0.00 H new ATOM 360 N LEU A 26 -10.046 -3.212 -0.632 1.00 0.00 N ATOM 361 CA LEU A 26 -10.475 -3.909 -1.838 1.00 0.00 C ATOM 362 C LEU A 26 -10.334 -5.419 -1.673 1.00 0.00 C ATOM 363 O LEU A 26 -9.384 -5.900 -1.055 1.00 0.00 O ATOM 364 CB LEU A 26 -9.659 -3.438 -3.043 1.00 0.00 C ATOM 365 CG LEU A 26 -9.848 -1.967 -3.418 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.767 -1.521 -4.391 1.00 0.00 C ATOM 367 CD2 LEU A 26 -11.230 -1.744 -4.014 1.00 0.00 C ATOM 0 H LEU A 26 -9.186 -3.573 -0.220 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.526 -3.676 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.603 -3.612 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.922 -4.053 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.763 -1.366 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.918 -0.472 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.788 -1.645 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.820 -2.126 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.348 -0.692 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.343 -2.355 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.990 -2.024 -3.285 1.00 0.00 H new ATOM 379 N VAL A 27 -11.286 -6.161 -2.229 1.00 0.00 N ATOM 380 CA VAL A 27 -11.268 -7.616 -2.144 1.00 0.00 C ATOM 381 C VAL A 27 -10.939 -8.242 -3.495 1.00 0.00 C ATOM 382 O VAL A 27 -11.832 -8.515 -4.298 1.00 0.00 O ATOM 383 CB VAL A 27 -12.619 -8.167 -1.652 1.00 0.00 C ATOM 384 CG1 VAL A 27 -12.521 -9.660 -1.378 1.00 0.00 C ATOM 385 CG2 VAL A 27 -13.081 -7.419 -0.410 1.00 0.00 C ATOM 0 H VAL A 27 -12.079 -5.778 -2.743 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.492 -7.880 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.359 -8.014 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.486 -10.030 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.240 -10.180 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.767 -9.841 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.037 -7.822 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.342 -7.537 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.195 -6.361 -0.644 1.00 0.00 H new ATOM 395 N LEU A 28 -9.652 -8.465 -3.741 1.00 0.00 N ATOM 396 CA LEU A 28 -9.205 -9.059 -4.995 1.00 0.00 C ATOM 397 C LEU A 28 -9.602 -10.530 -5.073 1.00 0.00 C ATOM 398 O LEU A 28 -10.135 -11.091 -4.115 1.00 0.00 O ATOM 399 CB LEU A 28 -7.688 -8.919 -5.139 1.00 0.00 C ATOM 400 CG LEU A 28 -7.179 -7.482 -5.266 1.00 0.00 C ATOM 401 CD1 LEU A 28 -5.679 -7.468 -5.514 1.00 0.00 C ATOM 402 CD2 LEU A 28 -7.913 -6.753 -6.382 1.00 0.00 C ATOM 0 H LEU A 28 -8.900 -8.243 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.691 -8.527 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.212 -9.382 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.368 -9.480 -6.017 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.377 -6.962 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.334 -6.438 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.168 -7.952 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.458 -8.004 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.538 -5.732 -6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.747 -7.272 -7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.980 -6.732 -6.162 1.00 0.00 H new ATOM 414 N GLY A 29 -9.338 -11.149 -6.219 1.00 0.00 N ATOM 415 CA GLY A 29 -9.674 -12.549 -6.401 1.00 0.00 C ATOM 416 C GLY A 29 -8.461 -13.452 -6.307 1.00 0.00 C ATOM 417 O GLY A 29 -8.017 -13.795 -5.211 1.00 0.00 O ATOM 0 H GLY A 29 -8.897 -10.706 -7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.403 -12.846 -5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.148 -12.682 -7.373 1.00 0.00 H new ATOM 421 N ASP A 30 -7.922 -13.838 -7.459 1.00 0.00 N ATOM 422 CA ASP A 30 -6.752 -14.709 -7.503 1.00 0.00 C ATOM 423 C ASP A 30 -5.634 -14.076 -8.326 1.00 0.00 C ATOM 424 O ASP A 30 -5.576 -14.244 -9.545 1.00 0.00 O ATOM 425 CB ASP A 30 -7.125 -16.070 -8.090 1.00 0.00 C ATOM 426 CG ASP A 30 -7.732 -16.998 -7.057 1.00 0.00 C ATOM 427 OD1 ASP A 30 -7.022 -17.362 -6.095 1.00 0.00 O ATOM 428 OD2 ASP A 30 -8.917 -17.361 -7.208 1.00 0.00 O ATOM 0 H ASP A 30 -8.276 -13.562 -8.375 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.394 -14.848 -6.483 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.832 -15.929 -8.907 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.236 -16.536 -8.515 1.00 0.00 H new ATOM 433 N GLY A 31 -4.748 -13.349 -7.652 1.00 0.00 N ATOM 434 CA GLY A 31 -3.644 -12.705 -8.338 1.00 0.00 C ATOM 435 C GLY A 31 -4.091 -11.517 -9.168 1.00 0.00 C ATOM 436 O GLY A 31 -3.461 -11.181 -10.172 1.00 0.00 O ATOM 0 H GLY A 31 -4.775 -13.195 -6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.907 -12.376 -7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.149 -13.430 -8.984 1.00 0.00 H new ATOM 440 N ARG A 32 -5.179 -10.880 -8.750 1.00 0.00 N ATOM 441 CA ARG A 32 -5.708 -9.723 -9.462 1.00 0.00 C ATOM 442 C ARG A 32 -4.765 -8.530 -9.334 1.00 0.00 C ATOM 443 O ARG A 32 -3.652 -8.659 -8.823 1.00 0.00 O ATOM 444 CB ARG A 32 -7.094 -9.357 -8.925 1.00 0.00 C ATOM 445 CG ARG A 32 -8.232 -9.780 -9.841 1.00 0.00 C ATOM 446 CD ARG A 32 -8.729 -8.619 -10.686 1.00 0.00 C ATOM 447 NE ARG A 32 -9.643 -9.057 -11.738 1.00 0.00 N ATOM 448 CZ ARG A 32 -10.481 -8.246 -12.379 1.00 0.00 C ATOM 449 NH1 ARG A 32 -10.525 -6.954 -12.077 1.00 0.00 N ATOM 450 NH2 ARG A 32 -11.277 -8.727 -13.323 1.00 0.00 N ATOM 0 H ARG A 32 -5.712 -11.145 -7.922 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.794 -9.983 -10.517 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.231 -9.823 -7.949 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.143 -8.279 -8.773 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.895 -10.587 -10.492 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.054 -10.174 -9.243 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.234 -7.895 -10.046 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.878 -8.108 -11.136 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.639 -10.044 -11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.915 -6.579 -11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.169 -6.336 -12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.247 -9.719 -13.558 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.919 -8.105 -13.814 1.00 0.00 H new ATOM 464 N SER A 33 -5.218 -7.370 -9.799 1.00 0.00 N ATOM 465 CA SER A 33 -4.412 -6.156 -9.736 1.00 0.00 C ATOM 466 C SER A 33 -5.293 -4.930 -9.518 1.00 0.00 C ATOM 467 O SER A 33 -6.502 -4.974 -9.742 1.00 0.00 O ATOM 468 CB SER A 33 -3.598 -5.992 -11.020 1.00 0.00 C ATOM 469 OG SER A 33 -2.872 -7.171 -11.319 1.00 0.00 O ATOM 0 H SER A 33 -6.137 -7.245 -10.223 1.00 0.00 H new ATOM 0 HA SER A 33 -3.729 -6.246 -8.891 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.265 -5.752 -11.848 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.909 -5.154 -10.913 1.00 0.00 H new ATOM 0 HG SER A 33 -2.361 -7.040 -12.145 1.00 0.00 H new ATOM 475 N LEU A 34 -4.678 -3.837 -9.079 1.00 0.00 N ATOM 476 CA LEU A 34 -5.406 -2.597 -8.830 1.00 0.00 C ATOM 477 C LEU A 34 -5.497 -1.756 -10.099 1.00 0.00 C ATOM 478 O LEU A 34 -6.568 -1.266 -10.454 1.00 0.00 O ATOM 479 CB LEU A 34 -4.723 -1.795 -7.721 1.00 0.00 C ATOM 480 CG LEU A 34 -4.387 -2.591 -6.458 1.00 0.00 C ATOM 481 CD1 LEU A 34 -2.957 -2.320 -6.016 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.365 -2.257 -5.341 1.00 0.00 C ATOM 0 H LEU A 34 -3.677 -3.784 -8.888 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.417 -2.855 -8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.802 -1.367 -8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.369 -0.962 -7.446 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.477 -3.653 -6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.739 -2.896 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.269 -2.612 -6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.837 -1.257 -5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.111 -2.832 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.308 -1.192 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.378 -2.507 -5.657 1.00 0.00 H new ATOM 494 N GLY A 35 -4.365 -1.594 -10.777 1.00 0.00 N ATOM 495 CA GLY A 35 -4.338 -0.811 -11.998 1.00 0.00 C ATOM 496 C GLY A 35 -3.835 0.600 -11.768 1.00 0.00 C ATOM 497 O GLY A 35 -4.274 1.538 -12.434 1.00 0.00 O ATOM 0 H GLY A 35 -3.466 -1.991 -10.502 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.700 -1.306 -12.730 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.341 -0.772 -12.423 1.00 0.00 H new ATOM 501 N LEU A 36 -2.912 0.751 -10.825 1.00 0.00 N ATOM 502 CA LEU A 36 -2.349 2.059 -10.507 1.00 0.00 C ATOM 503 C LEU A 36 -0.850 2.086 -10.785 1.00 0.00 C ATOM 504 O LEU A 36 -0.096 1.261 -10.268 1.00 0.00 O ATOM 505 CB LEU A 36 -2.615 2.410 -9.043 1.00 0.00 C ATOM 506 CG LEU A 36 -4.090 2.577 -8.675 1.00 0.00 C ATOM 507 CD1 LEU A 36 -4.270 2.548 -7.165 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.640 3.872 -9.255 1.00 0.00 C ATOM 0 H LEU A 36 -2.537 -0.016 -10.267 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.832 2.800 -11.143 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.186 1.630 -8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.090 3.335 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.648 1.744 -9.103 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.326 2.668 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.914 1.595 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.699 3.360 -6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.691 3.975 -8.984 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.078 4.717 -8.857 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.546 3.853 -10.341 1.00 0.00 H new ATOM 520 N THR A 37 -0.422 3.042 -11.604 1.00 0.00 N ATOM 521 CA THR A 37 0.988 3.177 -11.950 1.00 0.00 C ATOM 522 C THR A 37 1.720 4.036 -10.925 1.00 0.00 C ATOM 523 O THR A 37 1.695 5.265 -10.998 1.00 0.00 O ATOM 524 CB THR A 37 1.137 3.790 -13.343 1.00 0.00 C ATOM 525 OG1 THR A 37 0.183 3.241 -14.236 1.00 0.00 O ATOM 526 CG2 THR A 37 2.507 3.578 -13.948 1.00 0.00 C ATOM 0 H THR A 37 -1.031 3.734 -12.040 1.00 0.00 H new ATOM 0 HA THR A 37 1.433 2.182 -11.948 1.00 0.00 H new ATOM 0 HB THR A 37 0.981 4.860 -13.206 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.293 3.646 -15.121 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.544 4.038 -14.936 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.262 4.033 -13.307 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.704 2.510 -14.038 1.00 0.00 H new ATOM 534 N ILE A 38 2.372 3.383 -9.969 1.00 0.00 N ATOM 535 CA ILE A 38 3.111 4.087 -8.928 1.00 0.00 C ATOM 536 C ILE A 38 4.553 4.338 -9.353 1.00 0.00 C ATOM 537 O ILE A 38 5.064 3.690 -10.266 1.00 0.00 O ATOM 538 CB ILE A 38 3.108 3.301 -7.604 1.00 0.00 C ATOM 539 CG1 ILE A 38 3.646 1.886 -7.823 1.00 0.00 C ATOM 540 CG2 ILE A 38 1.704 3.255 -7.018 1.00 0.00 C ATOM 541 CD1 ILE A 38 4.235 1.263 -6.576 1.00 0.00 C ATOM 0 H ILE A 38 2.404 2.366 -9.894 1.00 0.00 H new ATOM 0 HA ILE A 38 2.607 5.041 -8.775 1.00 0.00 H new ATOM 0 HB ILE A 38 3.760 3.811 -6.895 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.839 1.252 -8.190 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.409 1.913 -8.601 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.718 2.696 -6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.355 4.270 -6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.031 2.766 -7.723 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.596 0.261 -6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.064 1.875 -6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.469 1.204 -5.802 1.00 0.00 H new ATOM 553 N ARG A 39 5.206 5.282 -8.684 1.00 0.00 N ATOM 554 CA ARG A 39 6.591 5.619 -8.992 1.00 0.00 C ATOM 555 C ARG A 39 7.370 5.940 -7.719 1.00 0.00 C ATOM 556 O ARG A 39 6.783 6.159 -6.660 1.00 0.00 O ATOM 557 CB ARG A 39 6.648 6.810 -9.951 1.00 0.00 C ATOM 558 CG ARG A 39 5.729 7.953 -9.555 1.00 0.00 C ATOM 559 CD ARG A 39 6.083 9.234 -10.295 1.00 0.00 C ATOM 560 NE ARG A 39 5.017 10.228 -10.211 1.00 0.00 N ATOM 561 CZ ARG A 39 5.177 11.515 -10.513 1.00 0.00 C ATOM 562 NH1 ARG A 39 6.357 11.966 -10.920 1.00 0.00 N ATOM 563 NH2 ARG A 39 4.155 12.353 -10.410 1.00 0.00 N ATOM 0 H ARG A 39 4.798 5.828 -7.925 1.00 0.00 H new ATOM 0 HA ARG A 39 7.050 4.754 -9.470 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.673 7.179 -9.999 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.383 6.472 -10.953 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.695 7.681 -9.769 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.798 8.121 -8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.000 9.651 -9.879 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.283 9.004 -11.342 1.00 0.00 H new ATOM 0 HE ARG A 39 4.095 9.918 -9.903 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.147 11.326 -11.003 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.474 12.953 -11.150 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.245 12.012 -10.099 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.278 13.339 -10.641 1.00 0.00 H new ATOM 577 N GLY A 40 8.693 5.964 -7.832 1.00 0.00 N ATOM 578 CA GLY A 40 9.530 6.257 -6.684 1.00 0.00 C ATOM 579 C GLY A 40 9.664 5.075 -5.745 1.00 0.00 C ATOM 580 O GLY A 40 8.793 4.207 -5.702 1.00 0.00 O ATOM 0 H GLY A 40 9.201 5.786 -8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.520 6.558 -7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.111 7.103 -6.140 1.00 0.00 H new ATOM 584 N GLY A 41 10.760 5.040 -4.993 1.00 0.00 N ATOM 585 CA GLY A 41 10.985 3.951 -4.062 1.00 0.00 C ATOM 586 C GLY A 41 12.273 4.113 -3.280 1.00 0.00 C ATOM 587 O GLY A 41 12.978 5.110 -3.435 1.00 0.00 O ATOM 0 H GLY A 41 11.496 5.746 -5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.147 3.892 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.012 3.009 -4.610 1.00 0.00 H new ATOM 591 N ALA A 42 12.580 3.132 -2.438 1.00 0.00 N ATOM 592 CA ALA A 42 13.792 3.171 -1.628 1.00 0.00 C ATOM 593 C ALA A 42 15.036 3.247 -2.507 1.00 0.00 C ATOM 594 O ALA A 42 16.053 3.817 -2.110 1.00 0.00 O ATOM 595 CB ALA A 42 13.858 1.952 -0.720 1.00 0.00 C ATOM 0 H ALA A 42 12.006 2.300 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 42 13.760 4.069 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.768 1.993 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.990 1.942 -0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.864 1.046 -1.327 1.00 0.00 H new ATOM 601 N GLU A 43 14.950 2.668 -3.699 1.00 0.00 N ATOM 602 CA GLU A 43 16.070 2.670 -4.633 1.00 0.00 C ATOM 603 C GLU A 43 16.176 4.011 -5.353 1.00 0.00 C ATOM 604 O GLU A 43 17.272 4.460 -5.688 1.00 0.00 O ATOM 605 CB GLU A 43 15.912 1.541 -5.653 1.00 0.00 C ATOM 606 CG GLU A 43 17.184 1.242 -6.431 1.00 0.00 C ATOM 607 CD GLU A 43 17.129 1.755 -7.856 1.00 0.00 C ATOM 608 OE1 GLU A 43 16.925 2.973 -8.042 1.00 0.00 O ATOM 609 OE2 GLU A 43 17.292 0.939 -8.787 1.00 0.00 O ATOM 0 H GLU A 43 14.116 2.191 -4.042 1.00 0.00 H new ATOM 0 HA GLU A 43 16.986 2.511 -4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.592 0.637 -5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.120 1.804 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.034 1.693 -5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.354 0.165 -6.442 1.00 0.00 H new ATOM 616 N TYR A 44 15.032 4.645 -5.588 1.00 0.00 N ATOM 617 CA TYR A 44 14.999 5.935 -6.270 1.00 0.00 C ATOM 618 C TYR A 44 15.012 7.090 -5.270 1.00 0.00 C ATOM 619 O TYR A 44 14.745 8.236 -5.634 1.00 0.00 O ATOM 620 CB TYR A 44 13.759 6.031 -7.160 1.00 0.00 C ATOM 621 CG TYR A 44 13.718 4.993 -8.258 1.00 0.00 C ATOM 622 CD1 TYR A 44 14.701 4.955 -9.239 1.00 0.00 C ATOM 623 CD2 TYR A 44 12.698 4.053 -8.315 1.00 0.00 C ATOM 624 CE1 TYR A 44 14.668 4.008 -10.246 1.00 0.00 C ATOM 625 CE2 TYR A 44 12.658 3.103 -9.318 1.00 0.00 C ATOM 626 CZ TYR A 44 13.644 3.085 -10.280 1.00 0.00 C ATOM 627 OH TYR A 44 13.608 2.141 -11.281 1.00 0.00 O ATOM 0 H TYR A 44 14.116 4.288 -5.317 1.00 0.00 H new ATOM 0 HA TYR A 44 15.893 6.010 -6.889 1.00 0.00 H new ATOM 0 HB2 TYR A 44 12.869 5.927 -6.540 1.00 0.00 H new ATOM 0 HB3 TYR A 44 13.721 7.024 -7.609 1.00 0.00 H new ATOM 0 HD1 TYR A 44 15.504 5.677 -9.215 1.00 0.00 H new ATOM 0 HD2 TYR A 44 11.923 4.064 -7.563 1.00 0.00 H new ATOM 0 HE1 TYR A 44 15.440 3.991 -11.001 1.00 0.00 H new ATOM 0 HE2 TYR A 44 11.858 2.378 -9.347 1.00 0.00 H new ATOM 0 HH TYR A 44 12.824 1.566 -11.160 1.00 0.00 H new ATOM 637 N GLY A 45 15.325 6.787 -4.012 1.00 0.00 N ATOM 638 CA GLY A 45 15.366 7.818 -2.988 1.00 0.00 C ATOM 639 C GLY A 45 14.088 8.632 -2.925 1.00 0.00 C ATOM 640 O GLY A 45 14.103 9.790 -2.508 1.00 0.00 O ATOM 0 H GLY A 45 15.551 5.848 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.544 7.354 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.207 8.484 -3.182 1.00 0.00 H new ATOM 644 N LEU A 46 12.981 8.026 -3.340 1.00 0.00 N ATOM 645 CA LEU A 46 11.689 8.704 -3.328 1.00 0.00 C ATOM 646 C LEU A 46 10.596 7.785 -2.793 1.00 0.00 C ATOM 647 O LEU A 46 10.695 6.563 -2.893 1.00 0.00 O ATOM 648 CB LEU A 46 11.328 9.179 -4.737 1.00 0.00 C ATOM 649 CG LEU A 46 10.035 9.992 -4.835 1.00 0.00 C ATOM 650 CD1 LEU A 46 10.233 11.381 -4.249 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.570 10.081 -6.280 1.00 0.00 C ATOM 0 H LEU A 46 12.952 7.068 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 46 11.766 9.568 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.149 9.784 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.242 8.308 -5.387 1.00 0.00 H new ATOM 0 HG LEU A 46 9.263 9.484 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.303 11.945 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.519 11.296 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.019 11.899 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.649 10.663 -6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.339 10.566 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.387 9.078 -6.666 1.00 0.00 H new ATOM 663 N GLY A 47 9.555 8.383 -2.221 1.00 0.00 N ATOM 664 CA GLY A 47 8.459 7.604 -1.678 1.00 0.00 C ATOM 665 C GLY A 47 7.636 6.928 -2.757 1.00 0.00 C ATOM 666 O GLY A 47 8.018 6.925 -3.927 1.00 0.00 O ATOM 0 H GLY A 47 9.452 9.393 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.856 6.848 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.814 8.254 -1.087 1.00 0.00 H new ATOM 670 N ILE A 48 6.503 6.357 -2.363 1.00 0.00 N ATOM 671 CA ILE A 48 5.623 5.675 -3.304 1.00 0.00 C ATOM 672 C ILE A 48 4.436 6.555 -3.683 1.00 0.00 C ATOM 673 O ILE A 48 3.519 6.753 -2.884 1.00 0.00 O ATOM 674 CB ILE A 48 5.100 4.346 -2.726 1.00 0.00 C ATOM 675 CG1 ILE A 48 6.259 3.516 -2.172 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.343 3.565 -3.790 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.243 3.067 -3.232 1.00 0.00 C ATOM 0 H ILE A 48 6.173 6.353 -1.398 1.00 0.00 H new ATOM 0 HA ILE A 48 6.216 5.465 -4.194 1.00 0.00 H new ATOM 0 HB ILE A 48 4.413 4.568 -1.910 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.789 4.102 -1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.857 2.638 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.980 2.629 -3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.497 4.156 -4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.008 3.350 -4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.038 2.484 -2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.727 2.454 -3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.673 3.940 -3.722 1.00 0.00 H new ATOM 689 N TYR A 49 4.458 7.078 -4.903 1.00 0.00 N ATOM 690 CA TYR A 49 3.384 7.937 -5.388 1.00 0.00 C ATOM 691 C TYR A 49 2.581 7.237 -6.479 1.00 0.00 C ATOM 692 O TYR A 49 2.819 6.070 -6.788 1.00 0.00 O ATOM 693 CB TYR A 49 3.956 9.250 -5.922 1.00 0.00 C ATOM 694 CG TYR A 49 4.715 10.047 -4.885 1.00 0.00 C ATOM 695 CD1 TYR A 49 5.926 9.589 -4.379 1.00 0.00 C ATOM 696 CD2 TYR A 49 4.221 11.256 -4.411 1.00 0.00 C ATOM 697 CE1 TYR A 49 6.621 10.314 -3.431 1.00 0.00 C ATOM 698 CE2 TYR A 49 4.911 11.986 -3.463 1.00 0.00 C ATOM 699 CZ TYR A 49 6.111 11.511 -2.975 1.00 0.00 C ATOM 700 OH TYR A 49 6.802 12.236 -2.032 1.00 0.00 O ATOM 0 H TYR A 49 5.209 6.922 -5.576 1.00 0.00 H new ATOM 0 HA TYR A 49 2.718 8.153 -4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.620 9.033 -6.759 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.141 9.860 -6.311 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.330 8.652 -4.733 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.282 11.631 -4.790 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.561 9.945 -3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.513 12.924 -3.105 1.00 0.00 H new ATOM 0 HH TYR A 49 6.306 13.054 -1.820 1.00 0.00 H new ATOM 710 N ILE A 50 1.626 7.957 -7.060 1.00 0.00 N ATOM 711 CA ILE A 50 0.788 7.405 -8.117 1.00 0.00 C ATOM 712 C ILE A 50 0.824 8.284 -9.363 1.00 0.00 C ATOM 713 O ILE A 50 1.043 9.493 -9.276 1.00 0.00 O ATOM 714 CB ILE A 50 -0.674 7.252 -7.654 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.732 6.549 -6.298 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.480 6.483 -8.691 1.00 0.00 C ATOM 717 CD1 ILE A 50 -2.079 6.657 -5.618 1.00 0.00 C ATOM 0 H ILE A 50 1.414 8.924 -6.816 1.00 0.00 H new ATOM 0 HA ILE A 50 1.191 6.421 -8.357 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.111 8.245 -7.546 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.486 5.496 -6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.031 6.973 -5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.510 6.383 -8.350 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.462 7.022 -9.638 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.046 5.493 -8.828 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.047 6.135 -4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.319 7.707 -5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.843 6.206 -6.251 1.00 0.00 H new ATOM 729 N THR A 51 0.609 7.670 -10.522 1.00 0.00 N ATOM 730 CA THR A 51 0.619 8.398 -11.785 1.00 0.00 C ATOM 731 C THR A 51 0.048 7.544 -12.912 1.00 0.00 C ATOM 732 O THR A 51 0.543 7.573 -14.039 1.00 0.00 O ATOM 733 CB THR A 51 2.042 8.840 -12.131 1.00 0.00 C ATOM 734 OG1 THR A 51 2.050 9.630 -13.307 1.00 0.00 O ATOM 735 CG2 THR A 51 2.991 7.682 -12.350 1.00 0.00 C ATOM 0 H THR A 51 0.426 6.671 -10.612 1.00 0.00 H new ATOM 0 HA THR A 51 -0.010 9.281 -11.672 1.00 0.00 H new ATOM 0 HB THR A 51 2.385 9.412 -11.269 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.671 9.115 -14.050 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.983 8.065 -12.592 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.046 7.080 -11.443 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.629 7.066 -13.173 1.00 0.00 H new ATOM 743 N GLY A 52 -0.996 6.782 -12.601 1.00 0.00 N ATOM 744 CA GLY A 52 -1.615 5.930 -13.599 1.00 0.00 C ATOM 745 C GLY A 52 -2.888 5.276 -13.097 1.00 0.00 C ATOM 746 O GLY A 52 -3.004 4.954 -11.915 1.00 0.00 O ATOM 0 H GLY A 52 -1.424 6.740 -11.676 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.840 6.521 -14.487 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.908 5.157 -13.901 1.00 0.00 H new ATOM 750 N VAL A 53 -3.845 5.081 -13.999 1.00 0.00 N ATOM 751 CA VAL A 53 -5.115 4.461 -13.644 1.00 0.00 C ATOM 752 C VAL A 53 -5.675 3.651 -14.809 1.00 0.00 C ATOM 753 O VAL A 53 -6.126 4.211 -15.807 1.00 0.00 O ATOM 754 CB VAL A 53 -6.157 5.514 -13.221 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.402 4.842 -12.665 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.561 6.475 -12.203 1.00 0.00 C ATOM 0 H VAL A 53 -3.764 5.344 -14.981 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.918 3.797 -12.802 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.446 6.087 -14.102 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.126 5.602 -12.372 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.840 4.199 -13.428 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.134 4.242 -11.795 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.311 7.212 -11.916 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.242 5.919 -11.321 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.702 6.983 -12.642 1.00 0.00 H new ATOM 766 N ASP A 54 -5.641 2.329 -14.672 1.00 0.00 N ATOM 767 CA ASP A 54 -6.145 1.441 -15.715 1.00 0.00 C ATOM 768 C ASP A 54 -7.637 1.671 -15.951 1.00 0.00 C ATOM 769 O ASP A 54 -8.392 1.914 -15.009 1.00 0.00 O ATOM 770 CB ASP A 54 -5.896 -0.020 -15.333 1.00 0.00 C ATOM 771 CG ASP A 54 -4.650 -0.583 -15.988 1.00 0.00 C ATOM 772 OD1 ASP A 54 -3.543 -0.091 -15.684 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.780 -1.519 -16.805 1.00 0.00 O ATOM 0 H ASP A 54 -5.271 1.850 -13.851 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.611 1.664 -16.638 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.801 -0.099 -14.250 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.758 -0.621 -15.622 1.00 0.00 H new ATOM 778 N PRO A 55 -8.085 1.599 -17.218 1.00 0.00 N ATOM 779 CA PRO A 55 -9.493 1.801 -17.568 1.00 0.00 C ATOM 780 C PRO A 55 -10.359 0.600 -17.205 1.00 0.00 C ATOM 781 O PRO A 55 -10.266 -0.457 -17.829 1.00 0.00 O ATOM 782 CB PRO A 55 -9.450 1.990 -19.084 1.00 0.00 C ATOM 783 CG PRO A 55 -8.258 1.214 -19.525 1.00 0.00 C ATOM 784 CD PRO A 55 -7.255 1.315 -18.406 1.00 0.00 C ATOM 0 HA PRO A 55 -9.934 2.640 -17.029 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.360 1.620 -19.556 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.358 3.043 -19.350 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.520 0.174 -19.720 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.850 1.619 -20.451 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.691 0.390 -18.289 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.531 2.109 -18.588 1.00 0.00 H new ATOM 792 N GLY A 56 -11.202 0.770 -16.191 1.00 0.00 N ATOM 793 CA GLY A 56 -12.072 -0.309 -15.762 1.00 0.00 C ATOM 794 C GLY A 56 -11.393 -1.250 -14.787 1.00 0.00 C ATOM 795 O GLY A 56 -11.599 -2.464 -14.840 1.00 0.00 O ATOM 0 H GLY A 56 -11.298 1.635 -15.659 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.963 0.111 -15.296 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.404 -0.872 -16.634 1.00 0.00 H new ATOM 799 N SER A 57 -10.582 -0.692 -13.896 1.00 0.00 N ATOM 800 CA SER A 57 -9.871 -1.490 -12.904 1.00 0.00 C ATOM 801 C SER A 57 -10.511 -1.346 -11.527 1.00 0.00 C ATOM 802 O SER A 57 -11.441 -0.561 -11.344 1.00 0.00 O ATOM 803 CB SER A 57 -8.400 -1.074 -12.844 1.00 0.00 C ATOM 804 OG SER A 57 -8.261 0.224 -12.294 1.00 0.00 O ATOM 0 H SER A 57 -10.400 0.310 -13.840 1.00 0.00 H new ATOM 0 HA SER A 57 -9.933 -2.536 -13.204 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.840 -1.790 -12.242 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.971 -1.096 -13.846 1.00 0.00 H new ATOM 0 HG SER A 57 -7.670 0.187 -11.513 1.00 0.00 H new ATOM 810 N GLU A 58 -10.005 -2.106 -10.562 1.00 0.00 N ATOM 811 CA GLU A 58 -10.526 -2.063 -9.201 1.00 0.00 C ATOM 812 C GLU A 58 -10.175 -0.741 -8.526 1.00 0.00 C ATOM 813 O GLU A 58 -10.924 -0.243 -7.686 1.00 0.00 O ATOM 814 CB GLU A 58 -9.973 -3.230 -8.383 1.00 0.00 C ATOM 815 CG GLU A 58 -10.340 -4.595 -8.943 1.00 0.00 C ATOM 816 CD GLU A 58 -11.838 -4.813 -9.012 1.00 0.00 C ATOM 817 OE1 GLU A 58 -12.536 -4.457 -8.038 1.00 0.00 O ATOM 818 OE2 GLU A 58 -12.316 -5.339 -10.038 1.00 0.00 O ATOM 0 H GLU A 58 -9.234 -2.760 -10.697 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.612 -2.147 -9.251 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.887 -3.146 -8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.344 -3.154 -7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.915 -4.700 -9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.892 -5.371 -8.322 1.00 0.00 H new ATOM 825 N ALA A 59 -9.030 -0.178 -8.899 1.00 0.00 N ATOM 826 CA ALA A 59 -8.579 1.086 -8.329 1.00 0.00 C ATOM 827 C ALA A 59 -9.386 2.256 -8.881 1.00 0.00 C ATOM 828 O ALA A 59 -9.876 3.096 -8.128 1.00 0.00 O ATOM 829 CB ALA A 59 -7.096 1.288 -8.604 1.00 0.00 C ATOM 0 H ALA A 59 -8.398 -0.577 -9.593 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.736 1.048 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.772 2.235 -8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.528 0.472 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.924 1.301 -9.680 1.00 0.00 H new ATOM 835 N GLU A 60 -9.518 2.305 -10.204 1.00 0.00 N ATOM 836 CA GLU A 60 -10.266 3.372 -10.857 1.00 0.00 C ATOM 837 C GLU A 60 -11.719 3.384 -10.393 1.00 0.00 C ATOM 838 O GLU A 60 -12.319 4.444 -10.226 1.00 0.00 O ATOM 839 CB GLU A 60 -10.206 3.207 -12.378 1.00 0.00 C ATOM 840 CG GLU A 60 -10.625 4.453 -13.141 1.00 0.00 C ATOM 841 CD GLU A 60 -10.564 4.263 -14.644 1.00 0.00 C ATOM 842 OE1 GLU A 60 -10.983 3.188 -15.124 1.00 0.00 O ATOM 843 OE2 GLU A 60 -10.099 5.189 -15.342 1.00 0.00 O ATOM 0 H GLU A 60 -9.117 1.619 -10.843 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.809 4.322 -10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.190 2.939 -12.666 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.850 2.378 -12.671 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.640 4.726 -12.854 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.979 5.283 -12.857 1.00 0.00 H new ATOM 850 N GLY A 61 -12.277 2.195 -10.185 1.00 0.00 N ATOM 851 CA GLY A 61 -13.654 2.091 -9.742 1.00 0.00 C ATOM 852 C GLY A 61 -13.845 2.581 -8.319 1.00 0.00 C ATOM 853 O GLY A 61 -14.905 3.103 -7.973 1.00 0.00 O ATOM 0 H GLY A 61 -11.800 1.303 -10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.292 2.669 -10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.977 1.052 -9.812 1.00 0.00 H new ATOM 857 N SER A 62 -12.817 2.413 -7.495 1.00 0.00 N ATOM 858 CA SER A 62 -12.876 2.843 -6.102 1.00 0.00 C ATOM 859 C SER A 62 -12.896 4.365 -6.003 1.00 0.00 C ATOM 860 O SER A 62 -13.801 4.946 -5.404 1.00 0.00 O ATOM 861 CB SER A 62 -11.684 2.285 -5.324 1.00 0.00 C ATOM 862 OG SER A 62 -11.901 2.372 -3.927 1.00 0.00 O ATOM 0 H SER A 62 -11.933 1.982 -7.767 1.00 0.00 H new ATOM 0 HA SER A 62 -13.798 2.457 -5.667 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.517 1.245 -5.605 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.782 2.836 -5.590 1.00 0.00 H new ATOM 0 HG SER A 62 -11.923 1.471 -3.543 1.00 0.00 H new ATOM 868 N GLY A 63 -11.893 5.004 -6.595 1.00 0.00 N ATOM 869 CA GLY A 63 -11.814 6.452 -6.562 1.00 0.00 C ATOM 870 C GLY A 63 -10.404 6.951 -6.317 1.00 0.00 C ATOM 871 O GLY A 63 -10.165 7.734 -5.398 1.00 0.00 O ATOM 0 H GLY A 63 -11.133 4.545 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.179 6.854 -7.507 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.471 6.831 -5.779 1.00 0.00 H new ATOM 875 N LEU A 64 -9.467 6.496 -7.143 1.00 0.00 N ATOM 876 CA LEU A 64 -8.071 6.901 -7.012 1.00 0.00 C ATOM 877 C LEU A 64 -7.600 7.642 -8.259 1.00 0.00 C ATOM 878 O LEU A 64 -7.717 7.137 -9.375 1.00 0.00 O ATOM 879 CB LEU A 64 -7.184 5.678 -6.767 1.00 0.00 C ATOM 880 CG LEU A 64 -7.233 5.118 -5.345 1.00 0.00 C ATOM 881 CD1 LEU A 64 -6.979 3.619 -5.353 1.00 0.00 C ATOM 882 CD2 LEU A 64 -6.219 5.827 -4.460 1.00 0.00 C ATOM 0 H LEU A 64 -9.648 5.848 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.993 7.575 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.477 4.891 -7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.153 5.943 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.229 5.295 -4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.018 3.238 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.742 3.124 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.995 3.419 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.267 5.417 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.218 5.680 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.445 6.893 -4.429 1.00 0.00 H new ATOM 894 N LYS A 65 -7.068 8.844 -8.061 1.00 0.00 N ATOM 895 CA LYS A 65 -6.580 9.655 -9.170 1.00 0.00 C ATOM 896 C LYS A 65 -5.067 9.522 -9.316 1.00 0.00 C ATOM 897 O LYS A 65 -4.428 8.759 -8.591 1.00 0.00 O ATOM 898 CB LYS A 65 -6.955 11.123 -8.960 1.00 0.00 C ATOM 899 CG LYS A 65 -8.419 11.333 -8.610 1.00 0.00 C ATOM 900 CD LYS A 65 -8.604 12.524 -7.683 1.00 0.00 C ATOM 901 CE LYS A 65 -10.027 13.057 -7.737 1.00 0.00 C ATOM 902 NZ LYS A 65 -10.846 12.569 -6.592 1.00 0.00 N ATOM 0 H LYS A 65 -6.964 9.277 -7.144 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.050 9.294 -10.085 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.337 11.537 -8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.723 11.682 -9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.994 11.488 -9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.813 10.435 -8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.362 12.232 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.907 13.315 -7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.007 14.147 -7.731 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.494 12.752 -8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.809 12.954 -6.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.886 11.530 -6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.415 12.882 -5.699 1.00 0.00 H new ATOM 916 N VAL A 66 -4.501 10.268 -10.258 1.00 0.00 N ATOM 917 CA VAL A 66 -3.064 10.234 -10.498 1.00 0.00 C ATOM 918 C VAL A 66 -2.368 11.417 -9.832 1.00 0.00 C ATOM 919 O VAL A 66 -2.674 12.574 -10.123 1.00 0.00 O ATOM 920 CB VAL A 66 -2.741 10.244 -12.005 1.00 0.00 C ATOM 921 CG1 VAL A 66 -3.007 8.878 -12.618 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.546 11.321 -12.718 1.00 0.00 C ATOM 0 H VAL A 66 -5.016 10.903 -10.868 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.695 9.305 -10.064 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.682 10.472 -12.128 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.773 8.905 -13.682 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.382 8.131 -12.128 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.057 8.617 -12.484 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.304 11.312 -13.781 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.610 11.127 -12.586 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.301 12.296 -12.298 1.00 0.00 H new ATOM 932 N GLY A 67 -1.431 11.120 -8.938 1.00 0.00 N ATOM 933 CA GLY A 67 -0.708 12.170 -8.244 1.00 0.00 C ATOM 934 C GLY A 67 -0.687 11.965 -6.742 1.00 0.00 C ATOM 935 O GLY A 67 0.215 12.447 -6.056 1.00 0.00 O ATOM 0 H GLY A 67 -1.159 10.171 -8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.316 12.209 -8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.166 13.133 -8.470 1.00 0.00 H new ATOM 939 N ASP A 68 -1.683 11.249 -6.227 1.00 0.00 N ATOM 940 CA ASP A 68 -1.775 10.982 -4.797 1.00 0.00 C ATOM 941 C ASP A 68 -0.526 10.264 -4.295 1.00 0.00 C ATOM 942 O ASP A 68 0.273 9.761 -5.085 1.00 0.00 O ATOM 943 CB ASP A 68 -3.019 10.144 -4.492 1.00 0.00 C ATOM 944 CG ASP A 68 -4.188 10.993 -4.029 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.350 12.115 -4.553 1.00 0.00 O ATOM 946 OD2 ASP A 68 -4.939 10.535 -3.143 1.00 0.00 O ATOM 0 H ASP A 68 -2.438 10.844 -6.780 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.854 11.938 -4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.308 9.589 -5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.780 9.410 -3.723 1.00 0.00 H new ATOM 951 N GLN A 69 -0.364 10.220 -2.976 1.00 0.00 N ATOM 952 CA GLN A 69 0.788 9.564 -2.369 1.00 0.00 C ATOM 953 C GLN A 69 0.345 8.454 -1.420 1.00 0.00 C ATOM 954 O GLN A 69 -0.311 8.713 -0.410 1.00 0.00 O ATOM 955 CB GLN A 69 1.643 10.584 -1.616 1.00 0.00 C ATOM 956 CG GLN A 69 3.017 10.060 -1.230 1.00 0.00 C ATOM 957 CD GLN A 69 3.623 10.818 -0.065 1.00 0.00 C ATOM 958 OE1 GLN A 69 2.908 11.367 0.773 1.00 0.00 O ATOM 959 NE2 GLN A 69 4.949 10.851 -0.006 1.00 0.00 N ATOM 0 H GLN A 69 -1.016 10.631 -2.308 1.00 0.00 H new ATOM 0 HA GLN A 69 1.383 9.119 -3.166 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.763 11.473 -2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.115 10.893 -0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.940 9.004 -0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.683 10.129 -2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.503 10.382 -0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.413 11.345 0.756 1.00 0.00 H new ATOM 968 N ILE A 70 0.710 7.220 -1.749 1.00 0.00 N ATOM 969 CA ILE A 70 0.352 6.072 -0.925 1.00 0.00 C ATOM 970 C ILE A 70 1.223 5.999 0.323 1.00 0.00 C ATOM 971 O ILE A 70 2.414 5.697 0.245 1.00 0.00 O ATOM 972 CB ILE A 70 0.488 4.751 -1.709 1.00 0.00 C ATOM 973 CG1 ILE A 70 -0.222 4.858 -3.059 1.00 0.00 C ATOM 974 CG2 ILE A 70 -0.075 3.593 -0.899 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.119 3.734 -4.012 1.00 0.00 C ATOM 0 H ILE A 70 1.254 6.989 -2.581 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.689 6.207 -0.632 1.00 0.00 H new ATOM 0 HB ILE A 70 1.546 4.561 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.299 4.869 -2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.039 5.809 -3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.028 2.668 -1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.472 3.506 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.129 3.774 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.420 3.875 -4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.191 3.735 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.168 2.781 -3.568 1.00 0.00 H new ATOM 987 N LEU A 71 0.623 6.278 1.475 1.00 0.00 N ATOM 988 CA LEU A 71 1.346 6.244 2.742 1.00 0.00 C ATOM 989 C LEU A 71 1.673 4.811 3.144 1.00 0.00 C ATOM 990 O LEU A 71 2.842 4.440 3.262 1.00 0.00 O ATOM 991 CB LEU A 71 0.522 6.920 3.840 1.00 0.00 C ATOM 992 CG LEU A 71 -0.068 8.280 3.463 1.00 0.00 C ATOM 993 CD1 LEU A 71 -0.875 8.850 4.618 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.035 9.244 3.054 1.00 0.00 C ATOM 0 H LEU A 71 -0.362 6.530 1.558 1.00 0.00 H new ATOM 0 HA LEU A 71 2.282 6.787 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.293 6.254 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.152 7.046 4.720 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.736 8.142 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.287 9.818 4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.689 8.168 4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.229 8.974 5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.597 10.206 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.728 9.377 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.571 8.840 2.195 1.00 0.00 H new ATOM 1006 N GLU A 72 0.634 4.009 3.357 1.00 0.00 N ATOM 1007 CA GLU A 72 0.813 2.616 3.747 1.00 0.00 C ATOM 1008 C GLU A 72 -0.226 1.724 3.076 1.00 0.00 C ATOM 1009 O GLU A 72 -1.234 2.208 2.560 1.00 0.00 O ATOM 1010 CB GLU A 72 0.718 2.475 5.268 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.492 3.171 5.868 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.187 4.588 6.315 1.00 0.00 C ATOM 1013 OE1 GLU A 72 0.895 4.806 6.900 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -1.030 5.478 6.081 1.00 0.00 O ATOM 0 H GLU A 72 -0.339 4.300 3.266 1.00 0.00 H new ATOM 0 HA GLU A 72 1.803 2.298 3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.683 1.416 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.622 2.883 5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.297 3.191 5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.853 2.595 6.720 1.00 0.00 H new ATOM 1021 N VAL A 73 0.026 0.420 3.086 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.888 -0.540 2.479 1.00 0.00 C ATOM 1023 C VAL A 73 -0.922 -1.842 3.271 1.00 0.00 C ATOM 1024 O VAL A 73 0.120 -2.428 3.565 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.493 -0.847 1.022 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.562 -1.690 0.344 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.251 0.442 0.251 1.00 0.00 C ATOM 0 H VAL A 73 0.856 0.003 3.508 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.879 -0.086 2.490 1.00 0.00 H new ATOM 0 HB VAL A 73 0.435 -1.418 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.265 -1.896 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.680 -2.630 0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.508 -1.149 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.027 0.205 -0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.161 1.042 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.554 1.003 0.724 1.00 0.00 H new ATOM 1037 N ASN A 74 -2.125 -2.289 3.613 1.00 0.00 N ATOM 1038 CA ASN A 74 -2.294 -3.524 4.372 1.00 0.00 C ATOM 1039 C ASN A 74 -1.595 -3.430 5.725 1.00 0.00 C ATOM 1040 O ASN A 74 -1.134 -4.433 6.268 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.746 -4.712 3.579 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.834 -5.464 2.838 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -2.806 -5.393 1.513 1.00 0.00 O flip ATOM 1044 ND2 ASN A 74 -3.691 -6.101 3.451 1.00 0.00 N flip ATOM 0 H ASN A 74 -2.997 -1.816 3.377 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.360 -3.674 4.545 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -1.003 -4.357 2.865 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.235 -5.394 4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.674 -6.128 4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.418 -6.602 2.939 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.521 -2.217 6.264 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.877 -2.016 7.548 1.00 0.00 C ATOM 1053 C GLY A 75 0.635 -1.995 7.442 1.00 0.00 C ATOM 1054 O GLY A 75 1.336 -2.347 8.391 1.00 0.00 O ATOM 0 H GLY A 75 -1.895 -1.371 5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.221 -1.076 7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.179 -2.810 8.231 1.00 0.00 H new ATOM 1058 N ARG A 76 1.139 -1.582 6.283 1.00 0.00 N ATOM 1059 CA ARG A 76 2.578 -1.517 6.055 1.00 0.00 C ATOM 1060 C ARG A 76 2.979 -0.155 5.496 1.00 0.00 C ATOM 1061 O ARG A 76 2.371 0.341 4.548 1.00 0.00 O ATOM 1062 CB ARG A 76 3.013 -2.625 5.094 1.00 0.00 C ATOM 1063 CG ARG A 76 4.507 -2.903 5.123 1.00 0.00 C ATOM 1064 CD ARG A 76 4.797 -4.396 5.127 1.00 0.00 C ATOM 1065 NE ARG A 76 6.221 -4.676 5.290 1.00 0.00 N ATOM 1066 CZ ARG A 76 7.110 -4.594 4.303 1.00 0.00 C ATOM 1067 NH1 ARG A 76 6.727 -4.239 3.082 1.00 0.00 N ATOM 1068 NH2 ARG A 76 8.387 -4.867 4.536 1.00 0.00 N ATOM 0 H ARG A 76 0.572 -1.288 5.488 1.00 0.00 H new ATOM 0 HA ARG A 76 3.080 -1.658 7.012 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.477 -3.541 5.342 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.723 -2.350 4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.981 -2.442 4.256 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.946 -2.444 6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.239 -4.872 5.934 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.445 -4.836 4.194 1.00 0.00 H new ATOM 0 HE ARG A 76 6.554 -4.950 6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.747 -4.027 2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.413 -4.178 2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.688 -5.140 5.472 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.068 -4.804 3.779 1.00 0.00 H new ATOM 1082 N SER A 77 4.006 0.444 6.090 1.00 0.00 N ATOM 1083 CA SER A 77 4.489 1.748 5.652 1.00 0.00 C ATOM 1084 C SER A 77 5.136 1.654 4.275 1.00 0.00 C ATOM 1085 O SER A 77 6.151 0.978 4.099 1.00 0.00 O ATOM 1086 CB SER A 77 5.489 2.311 6.662 1.00 0.00 C ATOM 1087 OG SER A 77 4.854 2.625 7.889 1.00 0.00 O ATOM 0 H SER A 77 4.520 0.047 6.876 1.00 0.00 H new ATOM 0 HA SER A 77 3.634 2.421 5.586 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.283 1.585 6.836 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.959 3.205 6.253 1.00 0.00 H new ATOM 0 HG SER A 77 5.516 2.981 8.518 1.00 0.00 H new ATOM 1093 N PHE A 78 4.543 2.336 3.300 1.00 0.00 N ATOM 1094 CA PHE A 78 5.062 2.330 1.937 1.00 0.00 C ATOM 1095 C PHE A 78 5.916 3.568 1.675 1.00 0.00 C ATOM 1096 O PHE A 78 5.868 4.152 0.593 1.00 0.00 O ATOM 1097 CB PHE A 78 3.909 2.266 0.932 1.00 0.00 C ATOM 1098 CG PHE A 78 3.550 0.867 0.520 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.270 -0.100 1.473 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.493 0.519 -0.819 1.00 0.00 C ATOM 1101 CE1 PHE A 78 2.940 -1.387 1.097 1.00 0.00 C ATOM 1102 CE2 PHE A 78 3.163 -0.768 -1.201 1.00 0.00 C ATOM 1103 CZ PHE A 78 2.886 -1.722 -0.242 1.00 0.00 C ATOM 0 H PHE A 78 3.703 2.900 3.429 1.00 0.00 H new ATOM 0 HA PHE A 78 5.690 1.447 1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.032 2.745 1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.178 2.840 0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.310 0.156 2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.709 1.261 -1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.724 -2.131 1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.122 -1.027 -2.249 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.628 -2.728 -0.538 1.00 0.00 H new ATOM 1113 N LEU A 79 6.700 3.961 2.675 1.00 0.00 N ATOM 1114 CA LEU A 79 7.566 5.127 2.552 1.00 0.00 C ATOM 1115 C LEU A 79 9.014 4.709 2.316 1.00 0.00 C ATOM 1116 O LEU A 79 9.772 5.411 1.649 1.00 0.00 O ATOM 1117 CB LEU A 79 7.471 5.991 3.812 1.00 0.00 C ATOM 1118 CG LEU A 79 6.149 6.741 3.985 1.00 0.00 C ATOM 1119 CD1 LEU A 79 5.788 6.853 5.458 1.00 0.00 C ATOM 1120 CD2 LEU A 79 6.230 8.119 3.347 1.00 0.00 C ATOM 0 H LEU A 79 6.753 3.489 3.578 1.00 0.00 H new ATOM 0 HA LEU A 79 7.232 5.708 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.627 5.355 4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.284 6.717 3.798 1.00 0.00 H new ATOM 0 HG LEU A 79 5.364 6.176 3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.845 7.389 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.687 5.855 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.573 7.395 5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.281 8.638 3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.027 8.693 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.441 8.015 2.283 1.00 0.00 H new ATOM 1132 N ASN A 80 9.391 3.560 2.869 1.00 0.00 N ATOM 1133 CA ASN A 80 10.748 3.048 2.719 1.00 0.00 C ATOM 1134 C ASN A 80 10.739 1.664 2.076 1.00 0.00 C ATOM 1135 O ASN A 80 11.547 0.803 2.423 1.00 0.00 O ATOM 1136 CB ASN A 80 11.446 2.987 4.079 1.00 0.00 C ATOM 1137 CG ASN A 80 10.608 2.282 5.127 1.00 0.00 C ATOM 1138 OD1 ASN A 80 9.460 2.652 5.372 1.00 0.00 O ATOM 1139 ND2 ASN A 80 11.181 1.262 5.754 1.00 0.00 N ATOM 0 H ASN A 80 8.775 2.966 3.425 1.00 0.00 H new ATOM 0 HA ASN A 80 11.297 3.728 2.067 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.400 2.470 3.972 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.668 3.999 4.416 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.667 0.750 6.471 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.135 0.990 5.519 1.00 0.00 H new ATOM 1146 N ILE A 81 9.822 1.459 1.138 1.00 0.00 N ATOM 1147 CA ILE A 81 9.708 0.180 0.446 1.00 0.00 C ATOM 1148 C ILE A 81 10.320 0.255 -0.950 1.00 0.00 C ATOM 1149 O ILE A 81 10.433 1.333 -1.532 1.00 0.00 O ATOM 1150 CB ILE A 81 8.238 -0.271 0.334 1.00 0.00 C ATOM 1151 CG1 ILE A 81 8.154 -1.670 -0.280 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.433 0.726 -0.490 1.00 0.00 C ATOM 1153 CD1 ILE A 81 6.759 -2.257 -0.257 1.00 0.00 C ATOM 0 H ILE A 81 9.146 2.162 0.839 1.00 0.00 H new ATOM 0 HA ILE A 81 10.256 -0.552 1.039 1.00 0.00 H new ATOM 0 HB ILE A 81 7.811 -0.309 1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.505 -1.627 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.829 -2.336 0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.398 0.390 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.466 1.705 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.858 0.797 -1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.774 -3.249 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.413 -2.332 0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.084 -1.613 -0.820 1.00 0.00 H new ATOM 1165 N LEU A 82 10.710 -0.898 -1.482 1.00 0.00 N ATOM 1166 CA LEU A 82 11.309 -0.964 -2.809 1.00 0.00 C ATOM 1167 C LEU A 82 10.241 -0.869 -3.894 1.00 0.00 C ATOM 1168 O LEU A 82 9.093 -1.259 -3.684 1.00 0.00 O ATOM 1169 CB LEU A 82 12.103 -2.262 -2.971 1.00 0.00 C ATOM 1170 CG LEU A 82 13.111 -2.548 -1.854 1.00 0.00 C ATOM 1171 CD1 LEU A 82 12.650 -3.720 -1.002 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.491 -2.821 -2.435 1.00 0.00 C ATOM 0 H LEU A 82 10.622 -1.800 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 82 11.986 -0.117 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.402 -3.094 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.636 -2.228 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 82 13.174 -1.666 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.380 -3.907 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.684 -3.486 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.555 -4.608 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.193 -3.022 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.443 -3.686 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.827 -1.951 -2.999 1.00 0.00 H new ATOM 1184 N HIS A 83 10.627 -0.349 -5.055 1.00 0.00 N ATOM 1185 CA HIS A 83 9.703 -0.203 -6.173 1.00 0.00 C ATOM 1186 C HIS A 83 9.151 -1.558 -6.604 1.00 0.00 C ATOM 1187 O HIS A 83 7.945 -1.717 -6.791 1.00 0.00 O ATOM 1188 CB HIS A 83 10.400 0.475 -7.353 1.00 0.00 C ATOM 1189 CG HIS A 83 9.472 0.830 -8.473 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.169 1.236 -8.270 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.662 0.838 -9.813 1.00 0.00 C ATOM 1192 CE1 HIS A 83 7.599 1.478 -9.438 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.485 1.245 -10.389 1.00 0.00 N ATOM 0 H HIS A 83 11.574 -0.022 -5.246 1.00 0.00 H new ATOM 0 HA HIS A 83 8.871 0.420 -5.845 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.894 1.380 -7.001 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.179 -0.186 -7.733 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.571 0.573 -10.332 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.582 1.810 -9.589 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.321 1.351 -11.390 1.00 0.00 H new ATOM 1202 N ASP A 84 10.043 -2.531 -6.757 1.00 0.00 N ATOM 1203 CA ASP A 84 9.645 -3.874 -7.165 1.00 0.00 C ATOM 1204 C ASP A 84 8.686 -4.490 -6.151 1.00 0.00 C ATOM 1205 O ASP A 84 7.610 -4.967 -6.510 1.00 0.00 O ATOM 1206 CB ASP A 84 10.877 -4.767 -7.328 1.00 0.00 C ATOM 1207 CG ASP A 84 11.356 -4.833 -8.765 1.00 0.00 C ATOM 1208 OD1 ASP A 84 10.576 -5.282 -9.632 1.00 0.00 O ATOM 1209 OD2 ASP A 84 12.511 -4.435 -9.026 1.00 0.00 O ATOM 0 H ASP A 84 11.045 -2.415 -6.605 1.00 0.00 H new ATOM 0 HA ASP A 84 9.131 -3.798 -8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.682 -4.390 -6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.642 -5.773 -6.979 1.00 0.00 H new ATOM 1214 N GLU A 85 9.084 -4.474 -4.883 1.00 0.00 N ATOM 1215 CA GLU A 85 8.261 -5.031 -3.817 1.00 0.00 C ATOM 1216 C GLU A 85 6.918 -4.311 -3.735 1.00 0.00 C ATOM 1217 O GLU A 85 5.905 -4.907 -3.371 1.00 0.00 O ATOM 1218 CB GLU A 85 8.989 -4.931 -2.476 1.00 0.00 C ATOM 1219 CG GLU A 85 8.458 -5.889 -1.422 1.00 0.00 C ATOM 1220 CD GLU A 85 9.208 -5.785 -0.108 1.00 0.00 C ATOM 1221 OE1 GLU A 85 9.180 -4.700 0.508 1.00 0.00 O ATOM 1222 OE2 GLU A 85 9.826 -6.790 0.303 1.00 0.00 O ATOM 0 H GLU A 85 9.972 -4.081 -4.569 1.00 0.00 H new ATOM 0 HA GLU A 85 8.077 -6.081 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.050 -5.128 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.906 -3.910 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.401 -5.685 -1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.528 -6.910 -1.796 1.00 0.00 H new ATOM 1229 N ALA A 86 6.920 -3.026 -4.074 1.00 0.00 N ATOM 1230 CA ALA A 86 5.702 -2.225 -4.038 1.00 0.00 C ATOM 1231 C ALA A 86 4.693 -2.713 -5.073 1.00 0.00 C ATOM 1232 O ALA A 86 3.511 -2.876 -4.772 1.00 0.00 O ATOM 1233 CB ALA A 86 6.030 -0.758 -4.269 1.00 0.00 C ATOM 0 H ALA A 86 7.751 -2.517 -4.377 1.00 0.00 H new ATOM 0 HA ALA A 86 5.252 -2.335 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.112 -0.171 -4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.708 -0.410 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.505 -0.640 -5.243 1.00 0.00 H new ATOM 1239 N VAL A 87 5.169 -2.946 -6.291 1.00 0.00 N ATOM 1240 CA VAL A 87 4.308 -3.415 -7.371 1.00 0.00 C ATOM 1241 C VAL A 87 3.906 -4.870 -7.159 1.00 0.00 C ATOM 1242 O VAL A 87 2.752 -5.243 -7.373 1.00 0.00 O ATOM 1243 CB VAL A 87 4.999 -3.280 -8.740 1.00 0.00 C ATOM 1244 CG1 VAL A 87 4.021 -3.583 -9.865 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.596 -1.889 -8.903 1.00 0.00 C ATOM 0 H VAL A 87 6.146 -2.818 -6.555 1.00 0.00 H new ATOM 0 HA VAL A 87 3.416 -2.788 -7.360 1.00 0.00 H new ATOM 0 HB VAL A 87 5.810 -4.007 -8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.528 -3.482 -10.825 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.647 -4.601 -9.757 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.187 -2.883 -9.820 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.080 -1.813 -9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.805 -1.143 -8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.331 -1.714 -8.118 1.00 0.00 H new ATOM 1255 N ARG A 88 4.865 -5.689 -6.738 1.00 0.00 N ATOM 1256 CA ARG A 88 4.610 -7.104 -6.497 1.00 0.00 C ATOM 1257 C ARG A 88 3.668 -7.293 -5.312 1.00 0.00 C ATOM 1258 O ARG A 88 2.694 -8.042 -5.395 1.00 0.00 O ATOM 1259 CB ARG A 88 5.926 -7.843 -6.244 1.00 0.00 C ATOM 1260 CG ARG A 88 6.509 -8.490 -7.491 1.00 0.00 C ATOM 1261 CD ARG A 88 7.993 -8.190 -7.634 1.00 0.00 C ATOM 1262 NE ARG A 88 8.755 -8.625 -6.466 1.00 0.00 N ATOM 1263 CZ ARG A 88 9.014 -9.899 -6.182 1.00 0.00 C ATOM 1264 NH1 ARG A 88 8.574 -10.867 -6.978 1.00 0.00 N ATOM 1265 NH2 ARG A 88 9.717 -10.208 -5.101 1.00 0.00 N ATOM 0 H ARG A 88 5.825 -5.397 -6.557 1.00 0.00 H new ATOM 0 HA ARG A 88 4.133 -7.520 -7.385 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.654 -7.143 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.762 -8.611 -5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.358 -9.569 -7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.977 -8.129 -8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.379 -8.687 -8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.134 -7.119 -7.780 1.00 0.00 H new ATOM 0 HE ARG A 88 9.109 -7.910 -5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.034 -10.636 -7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.776 -11.842 -6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.059 -9.469 -4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.915 -11.185 -4.884 1.00 0.00 H new ATOM 1279 N LEU A 89 3.966 -6.612 -4.211 1.00 0.00 N ATOM 1280 CA LEU A 89 3.145 -6.705 -3.009 1.00 0.00 C ATOM 1281 C LEU A 89 1.720 -6.241 -3.288 1.00 0.00 C ATOM 1282 O LEU A 89 0.758 -6.808 -2.767 1.00 0.00 O ATOM 1283 CB LEU A 89 3.756 -5.868 -1.883 1.00 0.00 C ATOM 1284 CG LEU A 89 3.093 -6.040 -0.517 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.194 -7.484 -0.052 1.00 0.00 C ATOM 1286 CD2 LEU A 89 3.725 -5.105 0.503 1.00 0.00 C ATOM 0 H LEU A 89 4.770 -5.990 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 89 3.114 -7.750 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.812 -6.124 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.706 -4.816 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 89 2.038 -5.784 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.716 -7.587 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.695 -8.134 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.243 -7.768 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.241 -5.241 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.787 -5.331 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.600 -4.073 0.177 1.00 0.00 H new ATOM 1298 N LEU A 90 1.590 -5.206 -4.112 1.00 0.00 N ATOM 1299 CA LEU A 90 0.281 -4.665 -4.460 1.00 0.00 C ATOM 1300 C LEU A 90 -0.472 -5.614 -5.388 1.00 0.00 C ATOM 1301 O LEU A 90 -1.700 -5.682 -5.359 1.00 0.00 O ATOM 1302 CB LEU A 90 0.433 -3.296 -5.124 1.00 0.00 C ATOM 1303 CG LEU A 90 0.872 -2.168 -4.189 1.00 0.00 C ATOM 1304 CD1 LEU A 90 1.415 -0.993 -4.987 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.287 -1.726 -3.309 1.00 0.00 C ATOM 0 H LEU A 90 2.375 -4.725 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.295 -4.554 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.159 -3.380 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.519 -3.021 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 90 1.669 -2.543 -3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.722 -0.201 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.273 -1.318 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.639 -0.617 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.042 -0.923 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.104 -1.369 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.631 -2.569 -2.710 1.00 0.00 H new ATOM 1317 N LYS A 91 0.275 -6.345 -6.210 1.00 0.00 N ATOM 1318 CA LYS A 91 -0.322 -7.291 -7.146 1.00 0.00 C ATOM 1319 C LYS A 91 -0.144 -8.725 -6.657 1.00 0.00 C ATOM 1320 O LYS A 91 0.102 -9.635 -7.449 1.00 0.00 O ATOM 1321 CB LYS A 91 0.304 -7.129 -8.533 1.00 0.00 C ATOM 1322 CG LYS A 91 -0.388 -6.087 -9.395 1.00 0.00 C ATOM 1323 CD LYS A 91 -0.424 -4.730 -8.709 1.00 0.00 C ATOM 1324 CE LYS A 91 -0.131 -3.602 -9.686 1.00 0.00 C ATOM 1325 NZ LYS A 91 -1.034 -3.644 -10.869 1.00 0.00 N ATOM 0 H LYS A 91 1.293 -6.300 -6.247 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.389 -7.079 -7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.353 -6.856 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.279 -8.089 -9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.131 -6.000 -10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.405 -6.412 -9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.404 -4.576 -8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.306 -4.711 -7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.242 -2.644 -9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.905 -3.669 -10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.769 -2.890 -11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.947 -4.568 -11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.017 -3.504 -10.560 1.00 0.00 H new ATOM 1339 N SER A 92 -0.269 -8.919 -5.349 1.00 0.00 N ATOM 1340 CA SER A 92 -0.121 -10.242 -4.753 1.00 0.00 C ATOM 1341 C SER A 92 -1.206 -10.496 -3.711 1.00 0.00 C ATOM 1342 O SER A 92 -2.027 -11.399 -3.863 1.00 0.00 O ATOM 1343 CB SER A 92 1.261 -10.384 -4.114 1.00 0.00 C ATOM 1344 OG SER A 92 2.188 -10.953 -5.022 1.00 0.00 O ATOM 0 H SER A 92 -0.473 -8.176 -4.680 1.00 0.00 H new ATOM 0 HA SER A 92 -0.225 -10.983 -5.545 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.618 -9.406 -3.791 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.191 -11.008 -3.223 1.00 0.00 H new ATOM 0 HG SER A 92 2.685 -10.239 -5.473 1.00 0.00 H new ATOM 1350 N SER A 93 -1.201 -9.692 -2.652 1.00 0.00 N ATOM 1351 CA SER A 93 -2.184 -9.830 -1.584 1.00 0.00 C ATOM 1352 C SER A 93 -3.601 -9.649 -2.120 1.00 0.00 C ATOM 1353 O SER A 93 -3.845 -8.810 -2.987 1.00 0.00 O ATOM 1354 CB SER A 93 -1.910 -8.811 -0.477 1.00 0.00 C ATOM 1355 OG SER A 93 -1.118 -9.377 0.553 1.00 0.00 O ATOM 0 H SER A 93 -0.528 -8.939 -2.511 1.00 0.00 H new ATOM 0 HA SER A 93 -2.098 -10.836 -1.172 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.401 -7.943 -0.896 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.854 -8.458 -0.062 1.00 0.00 H new ATOM 0 HG SER A 93 -0.956 -8.705 1.248 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.531 -10.440 -1.596 1.00 0.00 N ATOM 1362 CA ARG A 94 -5.924 -10.367 -2.021 1.00 0.00 C ATOM 1363 C ARG A 94 -6.583 -9.092 -1.505 1.00 0.00 C ATOM 1364 O ARG A 94 -7.040 -8.258 -2.287 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.696 -11.591 -1.523 1.00 0.00 C ATOM 1366 CG ARG A 94 -6.260 -12.892 -2.179 1.00 0.00 C ATOM 1367 CD ARG A 94 -5.240 -13.632 -1.328 1.00 0.00 C ATOM 1368 NE ARG A 94 -4.117 -14.121 -2.124 1.00 0.00 N ATOM 1369 CZ ARG A 94 -2.944 -14.483 -1.607 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -2.739 -14.413 -0.298 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -1.975 -14.916 -2.402 1.00 0.00 N ATOM 0 H ARG A 94 -4.345 -11.139 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.945 -10.351 -3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.568 -11.677 -0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.760 -11.439 -1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.130 -13.528 -2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.833 -12.681 -3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.869 -12.968 -0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.724 -14.472 -0.829 1.00 0.00 H new ATOM 0 HE ARG A 94 -4.238 -14.189 -3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.481 -14.081 0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.839 -14.691 0.093 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.128 -14.972 -3.409 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.077 -15.193 -2.007 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.627 -8.949 -0.185 1.00 0.00 N ATOM 1386 CA HIS A 95 -7.229 -7.775 0.437 1.00 0.00 C ATOM 1387 C HIS A 95 -6.261 -6.597 0.424 1.00 0.00 C ATOM 1388 O HIS A 95 -5.361 -6.512 1.259 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.648 -8.092 1.874 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.852 -7.329 2.329 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.702 -7.782 3.316 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -9.348 -6.134 1.929 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.669 -6.900 3.501 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -10.476 -5.891 2.672 1.00 0.00 N ATOM 0 H HIS A 95 -6.253 -9.631 0.475 1.00 0.00 H new ATOM 0 HA HIS A 95 -8.113 -7.501 -0.139 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.852 -9.160 1.957 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.816 -7.874 2.543 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -9.600 -8.661 3.824 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.933 -5.491 1.167 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.479 -6.990 4.210 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.453 -5.689 -0.528 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.595 -4.516 -0.649 1.00 0.00 C ATOM 1405 C LEU A 96 -6.233 -3.303 0.021 1.00 0.00 C ATOM 1406 O LEU A 96 -7.350 -2.910 -0.318 1.00 0.00 O ATOM 1407 CB LEU A 96 -5.316 -4.211 -2.122 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.658 -5.349 -2.905 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -4.403 -4.927 -4.344 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -3.362 -5.776 -2.234 1.00 0.00 C ATOM 0 H LEU A 96 -7.195 -5.743 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.653 -4.733 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.257 -3.952 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.674 -3.332 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.337 -6.201 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.935 -5.748 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.349 -4.670 -4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.742 -4.060 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.907 -6.586 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.676 -4.930 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.573 -6.119 -1.221 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.515 -2.713 0.971 1.00 0.00 N ATOM 1423 CA ILE A 97 -6.009 -1.543 1.687 1.00 0.00 C ATOM 1424 C ILE A 97 -5.011 -0.392 1.610 1.00 0.00 C ATOM 1425 O ILE A 97 -4.302 -0.105 2.575 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.293 -1.867 3.166 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.146 -3.131 3.281 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -6.983 -0.692 3.843 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -7.074 -3.786 4.644 1.00 0.00 C ATOM 0 H ILE A 97 -4.589 -3.026 1.263 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.940 -1.246 1.205 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.344 -2.046 3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.184 -2.881 3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.824 -3.847 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.177 -0.936 4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.341 0.187 3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.926 -0.484 3.338 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.703 -4.676 4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.043 -4.068 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.424 -3.086 5.403 1.00 0.00 H new ATOM 1441 N LEU A 98 -4.959 0.263 0.455 1.00 0.00 N ATOM 1442 CA LEU A 98 -4.046 1.382 0.251 1.00 0.00 C ATOM 1443 C LEU A 98 -4.475 2.592 1.076 1.00 0.00 C ATOM 1444 O LEU A 98 -5.667 2.852 1.240 1.00 0.00 O ATOM 1445 CB LEU A 98 -3.988 1.756 -1.232 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.163 0.810 -2.105 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -3.959 -0.444 -2.433 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.722 1.512 -3.380 1.00 0.00 C ATOM 0 H LEU A 98 -5.538 0.038 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.054 1.074 0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.005 1.792 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.576 2.761 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.273 0.515 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.356 -1.105 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.226 -0.958 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.867 -0.169 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.136 0.824 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.600 1.835 -3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.114 2.380 -3.126 1.00 0.00 H new ATOM 1460 N THR A 99 -3.496 3.326 1.592 1.00 0.00 N ATOM 1461 CA THR A 99 -3.771 4.509 2.400 1.00 0.00 C ATOM 1462 C THR A 99 -3.144 5.752 1.777 1.00 0.00 C ATOM 1463 O THR A 99 -1.953 6.009 1.946 1.00 0.00 O ATOM 1464 CB THR A 99 -3.241 4.315 3.822 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.457 2.985 4.260 1.00 0.00 O ATOM 1466 CG2 THR A 99 -3.885 5.241 4.832 1.00 0.00 C ATOM 0 H THR A 99 -2.504 3.123 1.465 1.00 0.00 H new ATOM 0 HA THR A 99 -4.851 4.649 2.438 1.00 0.00 H new ATOM 0 HB THR A 99 -2.177 4.546 3.768 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.797 2.392 3.844 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.464 5.051 5.820 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.695 6.276 4.549 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.960 5.063 4.855 1.00 0.00 H new ATOM 1474 N VAL A 100 -3.956 6.520 1.058 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.481 7.737 0.410 1.00 0.00 C ATOM 1476 C VAL A 100 -4.010 8.978 1.118 1.00 0.00 C ATOM 1477 O VAL A 100 -4.978 8.908 1.876 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.900 7.786 -1.071 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -3.194 6.698 -1.864 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.411 7.658 -1.201 1.00 0.00 C ATOM 0 H VAL A 100 -4.945 6.321 0.909 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.393 7.723 0.471 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.603 8.751 -1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.504 6.750 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.115 6.841 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.456 5.722 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.690 7.695 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.734 6.709 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.893 8.479 -0.669 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.370 10.116 0.866 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.777 11.375 1.480 1.00 0.00 C ATOM 1492 C LYS A 101 -4.057 12.433 0.417 1.00 0.00 C ATOM 1493 O LYS A 101 -3.800 12.220 -0.767 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.694 11.873 2.438 1.00 0.00 C ATOM 1495 CG LYS A 101 -1.380 12.207 1.750 1.00 0.00 C ATOM 1496 CD LYS A 101 -0.384 12.822 2.721 1.00 0.00 C ATOM 1497 CE LYS A 101 0.840 13.358 1.997 1.00 0.00 C ATOM 1498 NZ LYS A 101 2.036 13.398 2.882 1.00 0.00 N ATOM 0 H LYS A 101 -2.568 10.192 0.241 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.695 11.197 2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.059 12.760 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.514 11.112 3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.955 11.302 1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.564 12.899 0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.864 13.630 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.077 12.074 3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.051 12.733 1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.631 14.361 1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.409 14.368 2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.769 13.093 3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.767 12.760 2.507 1.00 0.00 H new ATOM 1512 N ASP A 102 -4.586 13.572 0.850 1.00 0.00 N ATOM 1513 CA ASP A 102 -4.901 14.664 -0.064 1.00 0.00 C ATOM 1514 C ASP A 102 -3.628 15.286 -0.629 1.00 0.00 C ATOM 1515 O ASP A 102 -2.959 16.072 0.042 1.00 0.00 O ATOM 1516 CB ASP A 102 -5.730 15.732 0.651 1.00 0.00 C ATOM 1517 CG ASP A 102 -6.786 16.342 -0.250 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -7.256 15.643 -1.172 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -7.145 17.519 -0.033 1.00 0.00 O ATOM 0 H ASP A 102 -4.806 13.763 1.828 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.482 14.256 -0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.211 15.291 1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -5.069 16.518 1.015 1.00 0.00 H new ATOM 1524 N VAL A 103 -3.299 14.928 -1.865 1.00 0.00 N ATOM 1525 CA VAL A 103 -2.105 15.450 -2.521 1.00 0.00 C ATOM 1526 C VAL A 103 -2.473 16.438 -3.623 1.00 0.00 C ATOM 1527 O VAL A 103 -1.798 16.519 -4.649 1.00 0.00 O ATOM 1528 CB VAL A 103 -1.253 14.317 -3.125 1.00 0.00 C ATOM 1529 CG1 VAL A 103 0.104 14.845 -3.567 1.00 0.00 C ATOM 1530 CG2 VAL A 103 -1.092 13.178 -2.128 1.00 0.00 C ATOM 0 H VAL A 103 -3.842 14.278 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.522 15.962 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.769 13.929 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.691 14.030 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.035 15.621 -4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.629 15.262 -2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.487 12.388 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.600 13.548 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.073 12.781 -1.867 1.00 0.00 H new ATOM 1540 N GLY A 104 -3.549 17.188 -3.403 1.00 0.00 N ATOM 1541 CA GLY A 104 -3.988 18.160 -4.386 1.00 0.00 C ATOM 1542 C GLY A 104 -5.121 19.029 -3.878 1.00 0.00 C ATOM 1543 O GLY A 104 -6.260 18.900 -4.325 1.00 0.00 O ATOM 0 H GLY A 104 -4.124 17.139 -2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.146 18.793 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.310 17.640 -5.288 1.00 0.00 H new ATOM 1547 N ARG A 105 -4.809 19.917 -2.938 1.00 0.00 N ATOM 1548 CA ARG A 105 -5.810 20.810 -2.367 1.00 0.00 C ATOM 1549 C ARG A 105 -6.024 22.028 -3.260 1.00 0.00 C ATOM 1550 O ARG A 105 -5.278 23.005 -3.183 1.00 0.00 O ATOM 1551 CB ARG A 105 -5.386 21.257 -0.967 1.00 0.00 C ATOM 1552 CG ARG A 105 -5.845 20.318 0.135 1.00 0.00 C ATOM 1553 CD ARG A 105 -5.379 20.794 1.502 1.00 0.00 C ATOM 1554 NE ARG A 105 -6.300 20.396 2.563 1.00 0.00 N ATOM 1555 CZ ARG A 105 -5.979 20.376 3.855 1.00 0.00 C ATOM 1556 NH1 ARG A 105 -4.762 20.729 4.249 1.00 0.00 N ATOM 1557 NH2 ARG A 105 -6.877 20.002 4.756 1.00 0.00 N ATOM 0 H ARG A 105 -3.871 20.037 -2.556 1.00 0.00 H new ATOM 0 HA ARG A 105 -6.751 20.264 -2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.300 21.339 -0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.787 22.252 -0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.933 20.247 0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.458 19.317 -0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.389 20.387 1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.282 21.880 1.494 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.245 20.117 2.299 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -4.067 21.018 3.561 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.522 20.712 5.240 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -7.814 19.729 4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.631 19.987 5.746 1.00 0.00 H new ATOM 1571 N LEU A 106 -7.047 21.964 -4.106 1.00 0.00 N ATOM 1572 CA LEU A 106 -7.360 23.061 -5.013 1.00 0.00 C ATOM 1573 C LEU A 106 -8.868 23.161 -5.245 1.00 0.00 C ATOM 1574 O LEU A 106 -9.491 22.216 -5.729 1.00 0.00 O ATOM 1575 CB LEU A 106 -6.634 22.867 -6.347 1.00 0.00 C ATOM 1576 CG LEU A 106 -5.454 23.812 -6.586 1.00 0.00 C ATOM 1577 CD1 LEU A 106 -4.263 23.053 -7.148 1.00 0.00 C ATOM 1578 CD2 LEU A 106 -5.857 24.943 -7.521 1.00 0.00 C ATOM 0 H LEU A 106 -7.674 21.163 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.021 23.990 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.274 21.840 -6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.353 22.996 -7.156 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.162 24.244 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.435 23.743 -7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.958 22.280 -6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.541 22.590 -8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.006 25.605 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.177 24.528 -8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.677 25.507 -7.077 1.00 0.00 H new ATOM 1590 N PRO A 107 -9.480 24.311 -4.905 1.00 0.00 N ATOM 1591 CA PRO A 107 -10.920 24.518 -5.083 1.00 0.00 C ATOM 1592 C PRO A 107 -11.306 24.667 -6.551 1.00 0.00 C ATOM 1593 O PRO A 107 -10.464 24.539 -7.441 1.00 0.00 O ATOM 1594 CB PRO A 107 -11.189 25.819 -4.327 1.00 0.00 C ATOM 1595 CG PRO A 107 -9.892 26.551 -4.365 1.00 0.00 C ATOM 1596 CD PRO A 107 -8.820 25.497 -4.321 1.00 0.00 C ATOM 0 HA PRO A 107 -11.501 23.670 -4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.984 26.396 -4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.504 25.624 -3.302 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.810 27.153 -5.270 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.804 27.233 -3.519 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -7.943 25.792 -4.896 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.484 25.308 -3.301 1.00 0.00 H new ATOM 1604 N HIS A 108 -12.584 24.935 -6.798 1.00 0.00 N ATOM 1605 CA HIS A 108 -13.082 25.101 -8.158 1.00 0.00 C ATOM 1606 C HIS A 108 -12.621 26.431 -8.747 1.00 0.00 C ATOM 1607 O HIS A 108 -12.155 27.312 -8.025 1.00 0.00 O ATOM 1608 CB HIS A 108 -14.609 25.022 -8.179 1.00 0.00 C ATOM 1609 CG HIS A 108 -15.166 24.553 -9.487 1.00 0.00 C ATOM 1610 ND1 HIS A 108 -14.561 23.583 -10.259 1.00 0.00 N ATOM 1611 CD2 HIS A 108 -16.281 24.925 -10.160 1.00 0.00 C ATOM 1612 CE1 HIS A 108 -15.278 23.381 -11.350 1.00 0.00 C ATOM 1613 NE2 HIS A 108 -16.326 24.182 -11.314 1.00 0.00 N ATOM 0 H HIS A 108 -13.294 25.042 -6.073 1.00 0.00 H new ATOM 0 HA HIS A 108 -12.676 24.294 -8.768 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -14.941 24.348 -7.389 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -15.019 26.006 -7.951 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -17.000 25.667 -9.847 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -15.046 22.679 -12.138 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -17.052 24.240 -12.028 1.00 0.00 H new ATOM 1622 N ALA A 109 -12.755 26.569 -10.062 1.00 0.00 N ATOM 1623 CA ALA A 109 -12.353 27.791 -10.747 1.00 0.00 C ATOM 1624 C ALA A 109 -13.396 28.213 -11.775 1.00 0.00 C ATOM 1625 O ALA A 109 -14.329 27.466 -12.069 1.00 0.00 O ATOM 1626 CB ALA A 109 -10.999 27.600 -11.415 1.00 0.00 C ATOM 0 H ALA A 109 -13.139 25.849 -10.674 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.272 28.584 -10.004 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.711 28.520 -11.923 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -10.252 27.353 -10.660 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.063 26.790 -12.141 1.00 0.00 H new ATOM 1632 N ARG A 110 -13.233 29.415 -12.317 1.00 0.00 N ATOM 1633 CA ARG A 110 -14.162 29.937 -13.313 1.00 0.00 C ATOM 1634 C ARG A 110 -13.487 30.991 -14.187 1.00 0.00 C ATOM 1635 O ARG A 110 -14.133 31.927 -14.656 1.00 0.00 O ATOM 1636 CB ARG A 110 -15.391 30.537 -12.629 1.00 0.00 C ATOM 1637 CG ARG A 110 -16.532 30.841 -13.586 1.00 0.00 C ATOM 1638 CD ARG A 110 -17.184 32.179 -13.273 1.00 0.00 C ATOM 1639 NE ARG A 110 -16.693 33.244 -14.143 1.00 0.00 N ATOM 1640 CZ ARG A 110 -17.037 33.374 -15.422 1.00 0.00 C ATOM 1641 NH1 ARG A 110 -17.873 32.509 -15.983 1.00 0.00 N ATOM 1642 NH2 ARG A 110 -16.544 34.372 -16.143 1.00 0.00 N ATOM 0 H ARG A 110 -12.466 30.046 -12.084 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.476 29.110 -13.949 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -15.744 29.846 -11.864 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -15.101 31.456 -12.119 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -16.157 30.849 -14.609 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -17.279 30.049 -13.526 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -18.265 32.090 -13.383 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -16.990 32.442 -12.233 1.00 0.00 H new ATOM 0 HE ARG A 110 -16.049 33.928 -13.747 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -18.255 31.740 -15.433 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -18.133 32.614 -16.964 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -15.901 35.040 -15.717 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -16.808 34.472 -17.123 1.00 0.00 H new ATOM 1656 N THR A 111 -12.186 30.830 -14.400 1.00 0.00 N ATOM 1657 CA THR A 111 -11.424 31.768 -15.217 1.00 0.00 C ATOM 1658 C THR A 111 -10.381 31.034 -16.057 1.00 0.00 C ATOM 1659 O THR A 111 -9.202 31.389 -16.049 1.00 0.00 O ATOM 1660 CB THR A 111 -10.744 32.813 -14.331 1.00 0.00 C ATOM 1661 OG1 THR A 111 -10.134 32.199 -13.209 1.00 0.00 O ATOM 1662 CG2 THR A 111 -11.696 33.870 -13.813 1.00 0.00 C ATOM 0 H THR A 111 -11.637 30.060 -14.019 1.00 0.00 H new ATOM 0 HA THR A 111 -12.116 32.272 -15.891 1.00 0.00 H new ATOM 0 HB THR A 111 -10.004 33.295 -14.970 1.00 0.00 H new ATOM 0 HG1 THR A 111 -9.703 32.883 -12.656 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.149 34.579 -13.192 1.00 0.00 H new ATOM 0 HG22 THR A 111 -12.147 34.397 -14.654 1.00 0.00 H new ATOM 0 HG23 THR A 111 -12.478 33.396 -13.220 1.00 0.00 H new ATOM 1670 N THR A 112 -10.824 30.011 -16.779 1.00 0.00 N ATOM 1671 CA THR A 112 -9.930 29.228 -17.623 1.00 0.00 C ATOM 1672 C THR A 112 -10.009 29.691 -19.074 1.00 0.00 C ATOM 1673 O THR A 112 -9.913 28.884 -20.000 1.00 0.00 O ATOM 1674 CB THR A 112 -10.279 27.741 -17.530 1.00 0.00 C ATOM 1675 OG1 THR A 112 -11.679 27.562 -17.399 1.00 0.00 O ATOM 1676 CG2 THR A 112 -9.615 27.043 -16.363 1.00 0.00 C ATOM 0 H THR A 112 -11.797 29.705 -16.797 1.00 0.00 H new ATOM 0 HA THR A 112 -8.911 29.378 -17.267 1.00 0.00 H new ATOM 0 HB THR A 112 -9.909 27.298 -18.455 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.883 26.605 -17.343 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.904 25.992 -16.355 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.532 27.121 -16.461 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.930 27.513 -15.431 1.00 0.00 H new ATOM 1684 N VAL A 113 -10.183 30.994 -19.266 1.00 0.00 N ATOM 1685 CA VAL A 113 -10.273 31.564 -20.604 1.00 0.00 C ATOM 1686 C VAL A 113 -9.886 33.040 -20.600 1.00 0.00 C ATOM 1687 O VAL A 113 -10.590 33.875 -20.030 1.00 0.00 O ATOM 1688 CB VAL A 113 -11.695 31.415 -21.183 1.00 0.00 C ATOM 1689 CG1 VAL A 113 -12.708 32.153 -20.321 1.00 0.00 C ATOM 1690 CG2 VAL A 113 -11.743 31.910 -22.621 1.00 0.00 C ATOM 0 H VAL A 113 -10.264 31.675 -18.511 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.574 31.012 -21.232 1.00 0.00 H new ATOM 0 HB VAL A 113 -11.957 30.357 -21.179 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -13.704 32.035 -20.748 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.695 31.742 -19.311 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.452 33.212 -20.285 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -12.754 31.796 -23.011 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.457 32.961 -22.654 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -11.052 31.327 -23.230 1.00 0.00 H new ATOM 1700 N ASP A 114 -8.763 33.354 -21.237 1.00 0.00 N ATOM 1701 CA ASP A 114 -8.282 34.729 -21.305 1.00 0.00 C ATOM 1702 C ASP A 114 -9.259 35.609 -22.078 1.00 0.00 C ATOM 1703 O ASP A 114 -10.213 35.115 -22.679 1.00 0.00 O ATOM 1704 CB ASP A 114 -6.902 34.777 -21.966 1.00 0.00 C ATOM 1705 CG ASP A 114 -5.841 34.078 -21.139 1.00 0.00 C ATOM 1706 OD1 ASP A 114 -5.851 32.830 -21.093 1.00 0.00 O ATOM 1707 OD2 ASP A 114 -5.001 34.779 -20.538 1.00 0.00 O ATOM 0 H ASP A 114 -8.169 32.675 -21.713 1.00 0.00 H new ATOM 0 HA ASP A 114 -8.203 35.111 -20.287 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -6.957 34.312 -22.950 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -6.612 35.816 -22.121 1.00 0.00 H new ATOM 1712 N GLU A 115 -9.014 36.915 -22.057 1.00 0.00 N ATOM 1713 CA GLU A 115 -9.872 37.864 -22.757 1.00 0.00 C ATOM 1714 C GLU A 115 -9.041 38.874 -23.540 1.00 0.00 C ATOM 1715 O GLU A 115 -8.200 39.574 -22.973 1.00 0.00 O ATOM 1716 CB GLU A 115 -10.777 38.594 -21.762 1.00 0.00 C ATOM 1717 CG GLU A 115 -10.027 39.200 -20.587 1.00 0.00 C ATOM 1718 CD GLU A 115 -10.915 40.061 -19.711 1.00 0.00 C ATOM 1719 OE1 GLU A 115 -11.841 40.702 -20.251 1.00 0.00 O ATOM 1720 OE2 GLU A 115 -10.683 40.096 -18.484 1.00 0.00 O ATOM 0 H GLU A 115 -8.229 37.340 -21.563 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.490 37.306 -23.460 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.315 39.385 -22.285 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.524 37.896 -21.384 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.595 38.401 -19.985 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.198 39.802 -20.961 1.00 0.00 H new ATOM 1727 N THR A 116 -9.279 38.945 -24.845 1.00 0.00 N ATOM 1728 CA THR A 116 -8.551 39.870 -25.707 1.00 0.00 C ATOM 1729 C THR A 116 -9.511 40.787 -26.456 1.00 0.00 C ATOM 1730 O THR A 116 -9.316 42.001 -26.504 1.00 0.00 O ATOM 1731 CB THR A 116 -7.684 39.096 -26.703 1.00 0.00 C ATOM 1732 OG1 THR A 116 -8.315 37.886 -27.082 1.00 0.00 O ATOM 1733 CG2 THR A 116 -6.314 38.750 -26.160 1.00 0.00 C ATOM 0 H THR A 116 -9.971 38.373 -25.330 1.00 0.00 H new ATOM 0 HA THR A 116 -7.908 40.485 -25.077 1.00 0.00 H new ATOM 0 HB THR A 116 -7.561 39.761 -27.558 1.00 0.00 H new ATOM 0 HG1 THR A 116 -7.746 37.406 -27.720 1.00 0.00 H new ATOM 0 HG21 THR A 116 -5.751 38.202 -26.916 1.00 0.00 H new ATOM 0 HG22 THR A 116 -5.782 39.666 -25.904 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.421 38.132 -25.269 1.00 0.00 H new ATOM 1741 N LYS A 117 -10.549 40.198 -27.042 1.00 0.00 N ATOM 1742 CA LYS A 117 -11.542 40.961 -27.790 1.00 0.00 C ATOM 1743 C LYS A 117 -10.908 41.630 -29.007 1.00 0.00 C ATOM 1744 O LYS A 117 -11.342 42.700 -29.437 1.00 0.00 O ATOM 1745 CB LYS A 117 -12.192 42.015 -26.888 1.00 0.00 C ATOM 1746 CG LYS A 117 -13.667 41.763 -26.627 1.00 0.00 C ATOM 1747 CD LYS A 117 -14.062 42.183 -25.220 1.00 0.00 C ATOM 1748 CE LYS A 117 -13.540 41.208 -24.176 1.00 0.00 C ATOM 1749 NZ LYS A 117 -12.744 41.897 -23.123 1.00 0.00 N ATOM 0 H LYS A 117 -10.724 39.194 -27.013 1.00 0.00 H new ATOM 0 HA LYS A 117 -12.311 40.271 -28.138 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -11.662 42.043 -25.936 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -12.075 42.997 -27.347 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -14.266 42.312 -27.354 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -13.887 40.705 -26.768 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -13.672 43.180 -25.015 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.148 42.245 -25.150 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -14.379 40.687 -23.714 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -12.923 40.452 -24.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.651 41.274 -22.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.799 42.123 -23.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -13.225 42.775 -22.843 1.00 0.00 H new ATOM 1763 N TRP A 118 -9.881 40.992 -29.559 1.00 0.00 N ATOM 1764 CA TRP A 118 -9.189 41.525 -30.728 1.00 0.00 C ATOM 1765 C TRP A 118 -9.103 40.478 -31.834 1.00 0.00 C ATOM 1766 O TRP A 118 -9.472 40.740 -32.979 1.00 0.00 O ATOM 1767 CB TRP A 118 -7.784 41.996 -30.345 1.00 0.00 C ATOM 1768 CG TRP A 118 -7.725 43.448 -29.977 1.00 0.00 C ATOM 1769 CD1 TRP A 118 -7.994 43.996 -28.756 1.00 0.00 C ATOM 1770 CD2 TRP A 118 -7.375 44.537 -30.838 1.00 0.00 C ATOM 1771 NE1 TRP A 118 -7.833 45.360 -28.805 1.00 0.00 N ATOM 1772 CE2 TRP A 118 -7.452 45.716 -30.072 1.00 0.00 C ATOM 1773 CE3 TRP A 118 -7.002 44.631 -32.182 1.00 0.00 C ATOM 1774 CZ2 TRP A 118 -7.172 46.971 -30.606 1.00 0.00 C ATOM 1775 CZ3 TRP A 118 -6.723 45.877 -32.711 1.00 0.00 C ATOM 1776 CH2 TRP A 118 -6.809 47.033 -31.924 1.00 0.00 C ATOM 0 H TRP A 118 -9.510 40.106 -29.216 1.00 0.00 H new ATOM 0 HA TRP A 118 -9.760 42.375 -31.101 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -7.425 41.401 -29.505 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -7.107 41.812 -31.179 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -8.290 43.439 -27.879 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -7.974 46.002 -28.025 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -6.933 43.745 -32.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -7.239 47.864 -30.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -6.434 45.961 -33.748 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -6.584 47.992 -32.366 1.00 0.00 H new ATOM 1787 N ILE A 119 -8.615 39.293 -31.483 1.00 0.00 N ATOM 1788 CA ILE A 119 -8.481 38.206 -32.446 1.00 0.00 C ATOM 1789 C ILE A 119 -9.617 37.200 -32.300 1.00 0.00 C ATOM 1790 O ILE A 119 -10.505 37.369 -31.465 1.00 0.00 O ATOM 1791 CB ILE A 119 -7.135 37.474 -32.286 1.00 0.00 C ATOM 1792 CG1 ILE A 119 -7.008 36.886 -30.876 1.00 0.00 C ATOM 1793 CG2 ILE A 119 -5.980 38.418 -32.580 1.00 0.00 C ATOM 1794 CD1 ILE A 119 -7.046 35.374 -30.848 1.00 0.00 C ATOM 0 H ILE A 119 -8.306 39.061 -30.539 1.00 0.00 H new ATOM 0 HA ILE A 119 -8.523 38.656 -33.438 1.00 0.00 H new ATOM 0 HB ILE A 119 -7.099 36.654 -33.003 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.073 37.226 -30.432 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.816 37.274 -30.255 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -5.036 37.886 -32.463 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.063 38.788 -33.602 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -6.011 39.258 -31.886 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -6.951 35.027 -29.819 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -7.992 35.026 -31.263 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -6.222 34.978 -31.442 1.00 0.00 H new ATOM 1806 N ALA A 120 -9.582 36.152 -33.116 1.00 0.00 N ATOM 1807 CA ALA A 120 -10.609 35.118 -33.077 1.00 0.00 C ATOM 1808 C ALA A 120 -10.015 33.744 -33.367 1.00 0.00 C ATOM 1809 O ALA A 120 -9.162 33.597 -34.243 1.00 0.00 O ATOM 1810 CB ALA A 120 -11.717 35.437 -34.070 1.00 0.00 C ATOM 0 H ALA A 120 -8.853 35.996 -33.813 1.00 0.00 H new ATOM 0 HA ALA A 120 -11.032 35.097 -32.072 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -12.477 34.657 -34.030 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -12.168 36.396 -33.816 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.301 35.487 -35.076 1.00 0.00 H new ATOM 1816 N SER A 121 -10.471 32.739 -32.626 1.00 0.00 N ATOM 1817 CA SER A 121 -9.986 31.375 -32.804 1.00 0.00 C ATOM 1818 C SER A 121 -11.129 30.433 -33.163 1.00 0.00 C ATOM 1819 O SER A 121 -11.913 30.035 -32.300 1.00 0.00 O ATOM 1820 CB SER A 121 -9.289 30.891 -31.531 1.00 0.00 C ATOM 1821 OG SER A 121 -7.885 31.060 -31.622 1.00 0.00 O ATOM 0 H SER A 121 -11.176 32.844 -31.896 1.00 0.00 H new ATOM 0 HA SER A 121 -9.269 31.374 -33.625 1.00 0.00 H new ATOM 0 HB2 SER A 121 -9.670 31.443 -30.672 1.00 0.00 H new ATOM 0 HB3 SER A 121 -9.522 29.839 -31.363 1.00 0.00 H new ATOM 0 HG SER A 121 -7.463 30.745 -30.795 1.00 0.00 H new ATOM 1827 N SER A 122 -11.220 30.079 -34.441 1.00 0.00 N ATOM 1828 CA SER A 122 -12.268 29.182 -34.914 1.00 0.00 C ATOM 1829 C SER A 122 -11.674 27.875 -35.429 1.00 0.00 C ATOM 1830 O SER A 122 -12.123 26.789 -35.062 1.00 0.00 O ATOM 1831 CB SER A 122 -13.083 29.855 -36.019 1.00 0.00 C ATOM 1832 OG SER A 122 -14.126 30.645 -35.476 1.00 0.00 O ATOM 0 H SER A 122 -10.580 30.400 -35.168 1.00 0.00 H new ATOM 0 HA SER A 122 -12.925 28.956 -34.074 1.00 0.00 H new ATOM 0 HB2 SER A 122 -12.429 30.479 -36.628 1.00 0.00 H new ATOM 0 HB3 SER A 122 -13.504 29.096 -36.678 1.00 0.00 H new ATOM 0 HG SER A 122 -14.631 31.065 -36.203 1.00 0.00 H new ATOM 1838 N SER A 123 -10.661 27.988 -36.281 1.00 0.00 N ATOM 1839 CA SER A 123 -10.004 26.814 -36.846 1.00 0.00 C ATOM 1840 C SER A 123 -8.678 27.195 -37.499 1.00 0.00 C ATOM 1841 O SER A 123 -7.653 26.557 -37.263 1.00 0.00 O ATOM 1842 CB SER A 123 -10.917 26.138 -37.871 1.00 0.00 C ATOM 1843 OG SER A 123 -11.533 24.986 -37.323 1.00 0.00 O ATOM 0 H SER A 123 -10.277 28.879 -36.596 1.00 0.00 H new ATOM 0 HA SER A 123 -9.801 26.115 -36.035 1.00 0.00 H new ATOM 0 HB2 SER A 123 -11.682 26.841 -38.201 1.00 0.00 H new ATOM 0 HB3 SER A 123 -10.338 25.860 -38.752 1.00 0.00 H new ATOM 0 HG SER A 123 -11.919 25.206 -36.450 1.00 0.00 H new ATOM 1849 N GLY A 124 -8.707 28.239 -38.320 1.00 0.00 N ATOM 1850 CA GLY A 124 -7.502 28.686 -38.993 1.00 0.00 C ATOM 1851 C GLY A 124 -7.797 29.408 -40.296 1.00 0.00 C ATOM 1852 O GLY A 124 -8.898 29.296 -40.834 1.00 0.00 O ATOM 0 H GLY A 124 -9.543 28.783 -38.531 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -6.945 29.350 -38.332 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -6.862 27.827 -39.194 1.00 0.00 H new ATOM 1856 N PRO A 125 -6.823 30.164 -40.831 1.00 0.00 N ATOM 1857 CA PRO A 125 -6.996 30.905 -42.084 1.00 0.00 C ATOM 1858 C PRO A 125 -7.504 30.018 -43.217 1.00 0.00 C ATOM 1859 O PRO A 125 -7.587 28.798 -43.073 1.00 0.00 O ATOM 1860 CB PRO A 125 -5.586 31.413 -42.396 1.00 0.00 C ATOM 1861 CG PRO A 125 -4.906 31.481 -41.073 1.00 0.00 C ATOM 1862 CD PRO A 125 -5.477 30.355 -40.256 1.00 0.00 C ATOM 0 HA PRO A 125 -7.738 31.698 -41.988 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.064 30.739 -43.075 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -5.615 32.391 -42.877 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -3.827 31.375 -41.183 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -5.085 32.442 -40.591 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.873 29.452 -40.339 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -5.525 30.611 -39.197 1.00 0.00 H new ATOM 1870 N SER A 126 -7.843 30.639 -44.341 1.00 0.00 N ATOM 1871 CA SER A 126 -8.344 29.906 -45.498 1.00 0.00 C ATOM 1872 C SER A 126 -7.232 29.086 -46.145 1.00 0.00 C ATOM 1873 O SER A 126 -6.638 29.502 -47.139 1.00 0.00 O ATOM 1874 CB SER A 126 -8.941 30.873 -46.522 1.00 0.00 C ATOM 1875 OG SER A 126 -9.547 31.983 -45.884 1.00 0.00 O ATOM 0 H SER A 126 -7.780 31.648 -44.476 1.00 0.00 H new ATOM 0 HA SER A 126 -9.123 29.224 -45.155 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.159 31.220 -47.197 1.00 0.00 H new ATOM 0 HB3 SER A 126 -9.680 30.352 -47.131 1.00 0.00 H new ATOM 0 HG SER A 126 -9.919 32.586 -46.561 1.00 0.00 H new ATOM 1881 N SER A 127 -6.955 27.919 -45.572 1.00 0.00 N ATOM 1882 CA SER A 127 -5.914 27.040 -46.092 1.00 0.00 C ATOM 1883 C SER A 127 -6.281 26.524 -47.480 1.00 0.00 C ATOM 1884 O SER A 127 -5.409 26.282 -48.314 1.00 0.00 O ATOM 1885 CB SER A 127 -5.686 25.865 -45.138 1.00 0.00 C ATOM 1886 OG SER A 127 -4.372 25.887 -44.607 1.00 0.00 O ATOM 0 H SER A 127 -7.437 27.560 -44.748 1.00 0.00 H new ATOM 0 HA SER A 127 -4.992 27.616 -46.172 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.411 25.907 -44.325 1.00 0.00 H new ATOM 0 HB3 SER A 127 -5.853 24.926 -45.666 1.00 0.00 H new ATOM 0 HG SER A 127 -4.252 25.127 -43.999 1.00 0.00 H new ATOM 1892 N GLY A 128 -7.577 26.356 -47.720 1.00 0.00 N ATOM 1893 CA GLY A 128 -8.037 25.869 -49.008 1.00 0.00 C ATOM 1894 C GLY A 128 -9.533 25.628 -49.038 1.00 0.00 C ATOM 1895 O GLY A 128 -9.970 24.694 -49.743 1.00 0.00 O ATOM 1896 OXT GLY A 128 -10.268 26.371 -48.354 1.00 0.00 O ATOM 0 H GLY A 128 -8.318 26.548 -47.046 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -7.773 26.591 -49.781 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.518 24.941 -49.248 1.00 0.00 H new TER 1900 GLY A 128