USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1069 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 109 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 129 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Set 2.1: A 108 SER OG : rot 180:sc= 1.05 USER MOD Set 2.2: A 130 SER OG : rot 100:sc= 1.23 USER MOD Set 3.1: A 98 TYR OH : rot 30:sc= 0.0766 USER MOD Set 3.2: A 102 THR OG1 : rot 151:sc= 0.97 USER MOD Set 4.1: A 27 LYS NZ :NH3+ 164:sc= 1.22 (180deg=0.543) USER MOD Set 4.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 21 MET CE :methyl -158:sc= -0.284 (180deg=-1.42!) USER MOD Set 5.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 5.3: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 25 ASN : amide:sc= -3.07 K(o=-1.8,f=-7.9!) USER MOD Set 6.2: A 44 THR OG1 : rot 80:sc= 1.26 USER MOD Set 7.1: A 19 ASN :FLIP amide:sc= 0.672 F(o=-2.2!,f=1.9) USER MOD Set 7.2: A 49 SER OG : rot -41:sc= 1.27 USER MOD Set 8.1: A 12 SER OG : rot 180:sc= -0.681 USER MOD Set 8.2: A 139 THR OG1 : rot 46:sc= 0.288 USER MOD Set 9.1: A 3 SER OG : rot 80:sc= 0.119 USER MOD Set 9.2: A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 90:sc= -1.61 USER MOD Single : A 6 THR OG1 : rot 130:sc= -0.718 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 17 GLN : amide:sc= -2.2! C(o=-2.2!,f=-3.2!) USER MOD Single : A 18 MET CE :methyl -146:sc= -0.19 (180deg=-1.29!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 35 SER OG : rot 74:sc= 0.677 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= -0.176 (180deg=-0.937) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 7:sc= 2.01 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.42 K(o=-2.4,f=-3.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -3.08 K(o=-3.1,f=-6.3) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.6!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0852 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.131 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.27) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -1.85 K(o=-1.8,f=-7.3!) USER MOD Single : A 116 ASN : amide:sc=-0.00331 X(o=-0.0033,f=-0.0033) USER MOD Single : A 118 MET CE :methyl -146:sc= -0.161 (180deg=-1.33) USER MOD Single : A 120 ASN : amide:sc= -0.303 K(o=-0.3,f=-5!) USER MOD Single : A 126 SER OG : rot 180:sc= -0.896 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot -37:sc= 0.582 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 116.502 -21.983 9.830 1.00 0.00 N ATOM 2 CA ALA A 1 116.889 -23.067 8.883 1.00 0.00 C ATOM 3 C ALA A 1 117.663 -22.466 7.715 1.00 0.00 C ATOM 4 O ALA A 1 118.859 -22.712 7.559 1.00 0.00 O ATOM 5 CB ALA A 1 115.628 -23.767 8.370 1.00 0.00 C ATOM 0 H1 ALA A 1 115.974 -22.391 10.628 1.00 0.00 H new ATOM 0 H2 ALA A 1 117.358 -21.512 10.186 1.00 0.00 H new ATOM 0 H3 ALA A 1 115.904 -21.289 9.338 1.00 0.00 H new ATOM 0 HA ALA A 1 117.520 -23.795 9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 1 115.909 -24.560 7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 1 115.082 -24.196 9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 1 114.994 -23.044 7.856 1.00 0.00 H new ATOM 13 N THR A 2 116.975 -21.675 6.896 1.00 0.00 N ATOM 14 CA THR A 2 117.603 -21.032 5.744 1.00 0.00 C ATOM 15 C THR A 2 117.436 -19.520 5.826 1.00 0.00 C ATOM 16 O THR A 2 116.379 -19.024 6.217 1.00 0.00 O ATOM 17 CB THR A 2 116.967 -21.549 4.450 1.00 0.00 C ATOM 18 OG1 THR A 2 117.030 -22.967 4.427 1.00 0.00 O ATOM 19 CG2 THR A 2 117.722 -20.984 3.246 1.00 0.00 C ATOM 0 H THR A 2 115.983 -21.464 7.008 1.00 0.00 H new ATOM 0 HA THR A 2 118.666 -21.271 5.747 1.00 0.00 H new ATOM 0 HB THR A 2 115.926 -21.230 4.405 1.00 0.00 H new ATOM 0 HG1 THR A 2 116.622 -23.299 3.600 1.00 0.00 H new ATOM 0 HG21 THR A 2 117.268 -21.353 2.326 1.00 0.00 H new ATOM 0 HG22 THR A 2 117.673 -19.895 3.264 1.00 0.00 H new ATOM 0 HG23 THR A 2 118.764 -21.301 3.289 1.00 0.00 H new ATOM 27 N SER A 3 118.484 -18.788 5.457 1.00 0.00 N ATOM 28 CA SER A 3 118.447 -17.328 5.500 1.00 0.00 C ATOM 29 C SER A 3 118.833 -16.754 4.143 1.00 0.00 C ATOM 30 O SER A 3 119.684 -17.306 3.448 1.00 0.00 O ATOM 31 CB SER A 3 119.416 -16.815 6.566 1.00 0.00 C ATOM 32 OG SER A 3 119.286 -15.403 6.675 1.00 0.00 O ATOM 0 H SER A 3 119.366 -19.179 5.126 1.00 0.00 H new ATOM 0 HA SER A 3 117.434 -17.010 5.748 1.00 0.00 H new ATOM 0 HB2 SER A 3 119.203 -17.287 7.525 1.00 0.00 H new ATOM 0 HB3 SER A 3 120.440 -17.079 6.301 1.00 0.00 H new ATOM 0 HG SER A 3 118.496 -15.188 7.214 1.00 0.00 H new ATOM 38 N THR A 4 118.195 -15.648 3.768 1.00 0.00 N ATOM 39 CA THR A 4 118.475 -15.002 2.488 1.00 0.00 C ATOM 40 C THR A 4 118.816 -13.531 2.698 1.00 0.00 C ATOM 41 O THR A 4 118.122 -12.822 3.426 1.00 0.00 O ATOM 42 CB THR A 4 117.257 -15.118 1.569 1.00 0.00 C ATOM 43 OG1 THR A 4 116.877 -16.482 1.466 1.00 0.00 O ATOM 44 CG2 THR A 4 117.608 -14.578 0.181 1.00 0.00 C ATOM 0 H THR A 4 117.483 -15.182 4.330 1.00 0.00 H new ATOM 0 HA THR A 4 119.327 -15.501 2.027 1.00 0.00 H new ATOM 0 HB THR A 4 116.431 -14.538 1.982 1.00 0.00 H new ATOM 0 HG1 THR A 4 116.232 -16.696 2.172 1.00 0.00 H new ATOM 0 HG21 THR A 4 116.739 -14.661 -0.472 1.00 0.00 H new ATOM 0 HG22 THR A 4 117.902 -13.532 0.261 1.00 0.00 H new ATOM 0 HG23 THR A 4 118.433 -15.156 -0.236 1.00 0.00 H new ATOM 52 N VAL A 5 119.888 -13.077 2.055 1.00 0.00 N ATOM 53 CA VAL A 5 120.296 -11.677 2.150 1.00 0.00 C ATOM 54 C VAL A 5 120.243 -11.051 0.764 1.00 0.00 C ATOM 55 O VAL A 5 120.778 -11.615 -0.189 1.00 0.00 O ATOM 56 CB VAL A 5 121.719 -11.573 2.712 1.00 0.00 C ATOM 57 CG1 VAL A 5 122.100 -10.102 2.888 1.00 0.00 C ATOM 58 CG2 VAL A 5 121.790 -12.274 4.072 1.00 0.00 C ATOM 0 H VAL A 5 120.488 -13.654 1.465 1.00 0.00 H new ATOM 0 HA VAL A 5 119.619 -11.149 2.822 1.00 0.00 H new ATOM 0 HB VAL A 5 122.410 -12.049 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 5 123.112 -10.034 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 5 122.056 -9.597 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 5 121.404 -9.626 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 5 122.803 -12.198 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 5 121.093 -11.799 4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 5 121.524 -13.325 3.954 1.00 0.00 H new ATOM 68 N THR A 6 119.578 -9.904 0.643 1.00 0.00 N ATOM 69 CA THR A 6 119.420 -9.264 -0.662 1.00 0.00 C ATOM 70 C THR A 6 119.663 -7.763 -0.566 1.00 0.00 C ATOM 71 O THR A 6 119.646 -7.183 0.520 1.00 0.00 O ATOM 72 CB THR A 6 118.008 -9.493 -1.222 1.00 0.00 C ATOM 73 OG1 THR A 6 117.090 -8.696 -0.492 1.00 0.00 O ATOM 74 CG2 THR A 6 117.582 -10.965 -1.126 1.00 0.00 C ATOM 0 H THR A 6 119.145 -9.404 1.420 1.00 0.00 H new ATOM 0 HA THR A 6 120.155 -9.714 -1.329 1.00 0.00 H new ATOM 0 HB THR A 6 118.014 -9.216 -2.276 1.00 0.00 H new ATOM 0 HG1 THR A 6 116.530 -8.188 -1.115 1.00 0.00 H new ATOM 0 HG21 THR A 6 116.578 -11.080 -1.533 1.00 0.00 H new ATOM 0 HG22 THR A 6 118.277 -11.583 -1.694 1.00 0.00 H new ATOM 0 HG23 THR A 6 117.588 -11.278 -0.082 1.00 0.00 H new ATOM 82 N GLY A 7 119.889 -7.147 -1.719 1.00 0.00 N ATOM 83 CA GLY A 7 119.969 -5.696 -1.806 1.00 0.00 C ATOM 84 C GLY A 7 119.576 -5.251 -3.208 1.00 0.00 C ATOM 85 O GLY A 7 119.766 -6.001 -4.165 1.00 0.00 O ATOM 0 H GLY A 7 120.020 -7.631 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 7 119.308 -5.240 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 7 120.981 -5.362 -1.577 1.00 0.00 H new ATOM 89 N GLY A 8 119.023 -4.047 -3.327 1.00 0.00 N ATOM 90 CA GLY A 8 118.609 -3.553 -4.636 1.00 0.00 C ATOM 91 C GLY A 8 118.555 -2.032 -4.674 1.00 0.00 C ATOM 92 O GLY A 8 118.631 -1.369 -3.641 1.00 0.00 O ATOM 0 H GLY A 8 118.854 -3.407 -2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 8 119.303 -3.911 -5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 8 117.628 -3.958 -4.884 1.00 0.00 H new ATOM 96 N TYR A 9 118.389 -1.497 -5.880 1.00 0.00 N ATOM 97 CA TYR A 9 118.330 -0.054 -6.083 1.00 0.00 C ATOM 98 C TYR A 9 117.092 0.316 -6.894 1.00 0.00 C ATOM 99 O TYR A 9 116.657 -0.449 -7.757 1.00 0.00 O ATOM 100 CB TYR A 9 119.599 0.426 -6.797 1.00 0.00 C ATOM 101 CG TYR A 9 119.725 -0.059 -8.224 1.00 0.00 C ATOM 102 CD1 TYR A 9 120.283 -1.315 -8.491 1.00 0.00 C ATOM 103 CD2 TYR A 9 119.284 0.749 -9.279 1.00 0.00 C ATOM 104 CE1 TYR A 9 120.400 -1.763 -9.811 1.00 0.00 C ATOM 105 CE2 TYR A 9 119.401 0.301 -10.600 1.00 0.00 C ATOM 106 CZ TYR A 9 119.958 -0.955 -10.867 1.00 0.00 C ATOM 107 OH TYR A 9 120.074 -1.397 -12.169 1.00 0.00 O ATOM 0 H TYR A 9 118.293 -2.045 -6.735 1.00 0.00 H new ATOM 0 HA TYR A 9 118.266 0.437 -5.112 1.00 0.00 H new ATOM 0 HB2 TYR A 9 119.616 1.516 -6.792 1.00 0.00 H new ATOM 0 HB3 TYR A 9 120.469 0.091 -6.233 1.00 0.00 H new ATOM 0 HD1 TYR A 9 120.623 -1.938 -7.677 1.00 0.00 H new ATOM 0 HD2 TYR A 9 118.854 1.718 -9.074 1.00 0.00 H new ATOM 0 HE1 TYR A 9 120.831 -2.732 -10.016 1.00 0.00 H new ATOM 0 HE2 TYR A 9 119.061 0.925 -11.414 1.00 0.00 H new ATOM 0 HH TYR A 9 119.719 -0.716 -12.778 1.00 0.00 H new ATOM 117 N ALA A 10 116.497 1.462 -6.569 1.00 0.00 N ATOM 118 CA ALA A 10 115.319 1.932 -7.290 1.00 0.00 C ATOM 119 C ALA A 10 115.389 3.437 -7.529 1.00 0.00 C ATOM 120 O ALA A 10 115.937 4.180 -6.715 1.00 0.00 O ATOM 121 CB ALA A 10 114.057 1.600 -6.493 1.00 0.00 C ATOM 0 H ALA A 10 116.809 2.077 -5.817 1.00 0.00 H new ATOM 0 HA ALA A 10 115.287 1.429 -8.256 1.00 0.00 H new ATOM 0 HB1 ALA A 10 113.180 1.953 -7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 10 113.988 0.521 -6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 10 114.102 2.089 -5.520 1.00 0.00 H new ATOM 127 N GLN A 11 114.823 3.874 -8.652 1.00 0.00 N ATOM 128 CA GLN A 11 114.717 5.297 -8.962 1.00 0.00 C ATOM 129 C GLN A 11 113.244 5.685 -9.043 1.00 0.00 C ATOM 130 O GLN A 11 112.432 4.927 -9.574 1.00 0.00 O ATOM 131 CB GLN A 11 115.406 5.598 -10.294 1.00 0.00 C ATOM 132 CG GLN A 11 116.904 5.309 -10.173 1.00 0.00 C ATOM 133 CD GLN A 11 117.602 5.517 -11.517 1.00 0.00 C ATOM 134 OE1 GLN A 11 116.954 5.540 -12.565 1.00 0.00 O ATOM 135 NE2 GLN A 11 118.897 5.673 -11.548 1.00 0.00 N ATOM 0 H GLN A 11 114.429 3.260 -9.365 1.00 0.00 H new ATOM 0 HA GLN A 11 115.205 5.874 -8.177 1.00 0.00 H new ATOM 0 HB2 GLN A 11 114.971 4.989 -11.086 1.00 0.00 H new ATOM 0 HB3 GLN A 11 115.247 6.641 -10.570 1.00 0.00 H new ATOM 0 HG2 GLN A 11 117.347 5.963 -9.422 1.00 0.00 H new ATOM 0 HG3 GLN A 11 117.056 4.285 -9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 11 119.434 5.654 -10.681 1.00 0.00 H new ATOM 0 HE22 GLN A 11 119.373 5.814 -12.439 1.00 0.00 H new ATOM 144 N SER A 12 112.891 6.860 -8.522 1.00 0.00 N ATOM 145 CA SER A 12 111.486 7.252 -8.436 1.00 0.00 C ATOM 146 C SER A 12 111.225 8.533 -9.219 1.00 0.00 C ATOM 147 O SER A 12 112.005 9.482 -9.145 1.00 0.00 O ATOM 148 CB SER A 12 111.107 7.475 -6.972 1.00 0.00 C ATOM 149 OG SER A 12 111.398 6.299 -6.229 1.00 0.00 O ATOM 0 H SER A 12 113.549 7.549 -8.158 1.00 0.00 H new ATOM 0 HA SER A 12 110.882 6.452 -8.865 1.00 0.00 H new ATOM 0 HB2 SER A 12 111.660 8.322 -6.566 1.00 0.00 H new ATOM 0 HB3 SER A 12 110.047 7.718 -6.891 1.00 0.00 H new ATOM 0 HG SER A 12 111.158 6.438 -5.289 1.00 0.00 H new ATOM 155 N ASP A 13 110.111 8.550 -9.945 1.00 0.00 N ATOM 156 CA ASP A 13 109.688 9.739 -10.668 1.00 0.00 C ATOM 157 C ASP A 13 108.558 10.403 -9.894 1.00 0.00 C ATOM 158 O ASP A 13 107.560 9.756 -9.578 1.00 0.00 O ATOM 159 CB ASP A 13 109.207 9.365 -12.072 1.00 0.00 C ATOM 160 CG ASP A 13 108.898 10.626 -12.871 1.00 0.00 C ATOM 161 OD1 ASP A 13 109.823 11.189 -13.432 1.00 0.00 O ATOM 162 OD2 ASP A 13 107.741 11.010 -12.910 1.00 0.00 O ATOM 0 H ASP A 13 109.486 7.751 -10.047 1.00 0.00 H new ATOM 0 HA ASP A 13 110.529 10.426 -10.765 1.00 0.00 H new ATOM 0 HB2 ASP A 13 109.971 8.779 -12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 13 108.317 8.739 -12.006 1.00 0.00 H new ATOM 167 N ALA A 14 108.730 11.679 -9.571 1.00 0.00 N ATOM 168 CA ALA A 14 107.764 12.387 -8.746 1.00 0.00 C ATOM 169 C ALA A 14 106.956 13.357 -9.596 1.00 0.00 C ATOM 170 O ALA A 14 107.457 14.390 -10.039 1.00 0.00 O ATOM 171 CB ALA A 14 108.493 13.152 -7.642 1.00 0.00 C ATOM 0 H ALA A 14 109.527 12.242 -9.868 1.00 0.00 H new ATOM 0 HA ALA A 14 107.085 11.662 -8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 14 107.767 13.681 -7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 14 109.053 12.451 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 14 109.181 13.870 -8.090 1.00 0.00 H new ATOM 177 N GLN A 15 105.700 13.000 -9.813 1.00 0.00 N ATOM 178 CA GLN A 15 104.772 13.876 -10.516 1.00 0.00 C ATOM 179 C GLN A 15 104.176 14.877 -9.534 1.00 0.00 C ATOM 180 O GLN A 15 103.537 14.491 -8.552 1.00 0.00 O ATOM 181 CB GLN A 15 103.654 13.055 -11.160 1.00 0.00 C ATOM 182 CG GLN A 15 104.241 12.154 -12.249 1.00 0.00 C ATOM 183 CD GLN A 15 103.157 11.260 -12.848 1.00 0.00 C ATOM 184 OE1 GLN A 15 102.097 11.069 -12.250 1.00 0.00 O ATOM 185 NE2 GLN A 15 103.363 10.695 -14.007 1.00 0.00 N ATOM 0 H GLN A 15 105.299 12.111 -9.514 1.00 0.00 H new ATOM 0 HA GLN A 15 105.310 14.410 -11.299 1.00 0.00 H new ATOM 0 HB2 GLN A 15 103.152 12.450 -10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.903 13.718 -11.588 1.00 0.00 H new ATOM 0 HG2 GLN A 15 104.690 12.765 -13.032 1.00 0.00 H new ATOM 0 HG3 GLN A 15 105.037 11.539 -11.830 1.00 0.00 H new ATOM 0 HE21 GLN A 15 104.240 10.853 -14.503 1.00 0.00 H new ATOM 0 HE22 GLN A 15 102.646 10.096 -14.417 1.00 0.00 H new ATOM 194 N GLY A 16 104.373 16.156 -9.835 1.00 0.00 N ATOM 195 CA GLY A 16 103.980 17.237 -8.932 1.00 0.00 C ATOM 196 C GLY A 16 105.157 17.770 -8.099 1.00 0.00 C ATOM 197 O GLY A 16 105.050 18.839 -7.497 1.00 0.00 O ATOM 0 H GLY A 16 104.805 16.473 -10.703 1.00 0.00 H new ATOM 0 HA2 GLY A 16 103.552 18.054 -9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 16 103.198 16.879 -8.262 1.00 0.00 H new ATOM 201 N GLN A 17 106.274 17.039 -8.059 1.00 0.00 N ATOM 202 CA GLN A 17 107.493 17.519 -7.415 1.00 0.00 C ATOM 203 C GLN A 17 108.606 17.672 -8.447 1.00 0.00 C ATOM 204 O GLN A 17 108.472 17.221 -9.585 1.00 0.00 O ATOM 205 CB GLN A 17 107.937 16.554 -6.315 1.00 0.00 C ATOM 206 CG GLN A 17 106.890 16.530 -5.199 1.00 0.00 C ATOM 207 CD GLN A 17 107.280 15.521 -4.120 1.00 0.00 C ATOM 208 OE1 GLN A 17 108.103 14.635 -4.354 1.00 0.00 O ATOM 209 NE2 GLN A 17 106.730 15.604 -2.939 1.00 0.00 N ATOM 0 H GLN A 17 106.356 16.108 -8.468 1.00 0.00 H new ATOM 0 HA GLN A 17 107.284 18.490 -6.965 1.00 0.00 H new ATOM 0 HB2 GLN A 17 108.068 15.553 -6.726 1.00 0.00 H new ATOM 0 HB3 GLN A 17 108.903 16.863 -5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 17 106.796 17.523 -4.759 1.00 0.00 H new ATOM 0 HG3 GLN A 17 105.915 16.271 -5.612 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.048 16.337 -2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.982 14.935 -2.211 1.00 0.00 H new ATOM 218 N MET A 18 109.703 18.307 -8.048 1.00 0.00 N ATOM 219 CA MET A 18 110.828 18.519 -8.953 1.00 0.00 C ATOM 220 C MET A 18 111.954 17.526 -8.671 1.00 0.00 C ATOM 221 O MET A 18 112.175 17.128 -7.528 1.00 0.00 O ATOM 222 CB MET A 18 111.355 19.947 -8.795 1.00 0.00 C ATOM 223 CG MET A 18 112.284 20.284 -9.964 1.00 0.00 C ATOM 224 SD MET A 18 113.075 21.884 -9.663 1.00 0.00 S ATOM 225 CE MET A 18 111.567 22.883 -9.639 1.00 0.00 C ATOM 0 H MET A 18 109.837 18.682 -7.109 1.00 0.00 H new ATOM 0 HA MET A 18 110.479 18.364 -9.974 1.00 0.00 H new ATOM 0 HB2 MET A 18 110.523 20.651 -8.764 1.00 0.00 H new ATOM 0 HB3 MET A 18 111.891 20.045 -7.851 1.00 0.00 H new ATOM 0 HG2 MET A 18 113.041 19.508 -10.077 1.00 0.00 H new ATOM 0 HG3 MET A 18 111.718 20.315 -10.895 1.00 0.00 H new ATOM 0 HE1 MET A 18 111.776 23.867 -10.059 1.00 0.00 H new ATOM 0 HE2 MET A 18 110.795 22.391 -10.231 1.00 0.00 H new ATOM 0 HE3 MET A 18 111.220 22.994 -8.612 1.00 0.00 H new ATOM 235 N ASN A 19 112.663 17.131 -9.730 1.00 0.00 N ATOM 236 CA ASN A 19 113.825 16.247 -9.610 1.00 0.00 C ATOM 237 C ASN A 19 113.424 14.830 -9.209 1.00 0.00 C ATOM 238 O ASN A 19 112.476 14.626 -8.451 1.00 0.00 O ATOM 239 CB ASN A 19 114.829 16.798 -8.592 1.00 0.00 C ATOM 240 CG ASN A 19 116.172 16.091 -8.748 1.00 0.00 C ATOM 241 OD1 ASN A 19 116.632 15.361 -7.769 1.00 0.00 O flip ATOM 242 ND2 ASN A 19 116.817 16.206 -9.790 1.00 0.00 N flip ATOM 0 H ASN A 19 112.451 17.412 -10.687 1.00 0.00 H new ATOM 0 HA ASN A 19 114.292 16.207 -10.594 1.00 0.00 H new ATOM 0 HB2 ASN A 19 114.955 17.871 -8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 19 114.449 16.655 -7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 19 116.455 16.777 -10.554 1.00 0.00 H new ATOM 0 HD22 ASN A 19 117.714 15.730 -9.890 1.00 0.00 H new ATOM 249 N LYS A 20 114.163 13.857 -9.735 1.00 0.00 N ATOM 250 CA LYS A 20 113.939 12.451 -9.413 1.00 0.00 C ATOM 251 C LYS A 20 114.700 12.072 -8.145 1.00 0.00 C ATOM 252 O LYS A 20 115.621 12.779 -7.734 1.00 0.00 O ATOM 253 CB LYS A 20 114.402 11.567 -10.572 1.00 0.00 C ATOM 254 CG LYS A 20 113.549 11.855 -11.809 1.00 0.00 C ATOM 255 CD LYS A 20 113.943 10.897 -12.934 1.00 0.00 C ATOM 256 CE LYS A 20 113.178 11.261 -14.209 1.00 0.00 C ATOM 257 NZ LYS A 20 113.748 10.507 -15.361 1.00 0.00 N ATOM 0 H LYS A 20 114.927 14.019 -10.391 1.00 0.00 H new ATOM 0 HA LYS A 20 112.872 12.298 -9.248 1.00 0.00 H new ATOM 0 HB2 LYS A 20 115.453 11.757 -10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 20 114.318 10.516 -10.297 1.00 0.00 H new ATOM 0 HG2 LYS A 20 112.492 11.738 -11.570 1.00 0.00 H new ATOM 0 HG3 LYS A 20 113.691 12.887 -12.129 1.00 0.00 H new ATOM 0 HD2 LYS A 20 115.017 10.953 -13.114 1.00 0.00 H new ATOM 0 HD3 LYS A 20 113.721 9.870 -12.645 1.00 0.00 H new ATOM 0 HE2 LYS A 20 112.121 11.023 -14.092 1.00 0.00 H new ATOM 0 HE3 LYS A 20 113.245 12.333 -14.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 113.229 10.753 -16.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 114.751 10.755 -15.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 113.662 9.486 -15.184 1.00 0.00 H new ATOM 271 N MET A 21 114.317 10.957 -7.524 1.00 0.00 N ATOM 272 CA MET A 21 114.922 10.551 -6.256 1.00 0.00 C ATOM 273 C MET A 21 115.532 9.161 -6.383 1.00 0.00 C ATOM 274 O MET A 21 115.181 8.410 -7.291 1.00 0.00 O ATOM 275 CB MET A 21 113.861 10.543 -5.155 1.00 0.00 C ATOM 276 CG MET A 21 113.335 11.964 -4.939 1.00 0.00 C ATOM 277 SD MET A 21 112.247 12.002 -3.492 1.00 0.00 S ATOM 278 CE MET A 21 111.011 10.822 -4.091 1.00 0.00 C ATOM 0 H MET A 21 113.598 10.324 -7.874 1.00 0.00 H new ATOM 0 HA MET A 21 115.707 11.262 -6.000 1.00 0.00 H new ATOM 0 HB2 MET A 21 113.042 9.879 -5.430 1.00 0.00 H new ATOM 0 HB3 MET A 21 114.286 10.157 -4.229 1.00 0.00 H new ATOM 0 HG2 MET A 21 114.168 12.652 -4.797 1.00 0.00 H new ATOM 0 HG3 MET A 21 112.792 12.299 -5.823 1.00 0.00 H new ATOM 0 HE1 MET A 21 110.072 10.977 -3.559 1.00 0.00 H new ATOM 0 HE2 MET A 21 110.852 10.972 -5.159 1.00 0.00 H new ATOM 0 HE3 MET A 21 111.364 9.806 -3.916 1.00 0.00 H new ATOM 288 N GLY A 22 116.430 8.815 -5.465 1.00 0.00 N ATOM 289 CA GLY A 22 117.089 7.513 -5.515 1.00 0.00 C ATOM 290 C GLY A 22 117.159 6.905 -4.122 1.00 0.00 C ATOM 291 O GLY A 22 117.374 7.619 -3.144 1.00 0.00 O ATOM 0 H GLY A 22 116.716 9.409 -4.687 1.00 0.00 H new ATOM 0 HA2 GLY A 22 116.544 6.847 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 22 118.094 7.621 -5.923 1.00 0.00 H new ATOM 295 N GLY A 23 116.958 5.593 -4.033 1.00 0.00 N ATOM 296 CA GLY A 23 116.987 4.925 -2.739 1.00 0.00 C ATOM 297 C GLY A 23 117.489 3.492 -2.859 1.00 0.00 C ATOM 298 O GLY A 23 117.578 2.940 -3.956 1.00 0.00 O ATOM 0 H GLY A 23 116.776 4.981 -4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 23 117.630 5.480 -2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 23 115.987 4.926 -2.306 1.00 0.00 H new ATOM 302 N PHE A 24 117.783 2.892 -1.711 1.00 0.00 N ATOM 303 CA PHE A 24 118.267 1.515 -1.666 1.00 0.00 C ATOM 304 C PHE A 24 117.431 0.708 -0.681 1.00 0.00 C ATOM 305 O PHE A 24 116.891 1.265 0.276 1.00 0.00 O ATOM 306 CB PHE A 24 119.736 1.489 -1.240 1.00 0.00 C ATOM 307 CG PHE A 24 119.971 2.023 0.153 1.00 0.00 C ATOM 308 CD1 PHE A 24 120.125 3.400 0.359 1.00 0.00 C ATOM 309 CD2 PHE A 24 120.034 1.142 1.239 1.00 0.00 C ATOM 310 CE1 PHE A 24 120.342 3.895 1.650 1.00 0.00 C ATOM 311 CE2 PHE A 24 120.250 1.638 2.531 1.00 0.00 C ATOM 312 CZ PHE A 24 120.405 3.014 2.735 1.00 0.00 C ATOM 0 H PHE A 24 117.695 3.337 -0.798 1.00 0.00 H new ATOM 0 HA PHE A 24 118.178 1.075 -2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 24 120.103 0.464 -1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 24 120.322 2.075 -1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 24 120.076 4.080 -0.479 1.00 0.00 H new ATOM 0 HD2 PHE A 24 119.916 0.080 1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 24 120.461 4.957 1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 24 120.297 0.959 3.369 1.00 0.00 H new ATOM 0 HZ PHE A 24 120.573 3.396 3.731 1.00 0.00 H new ATOM 322 N ASN A 25 117.310 -0.596 -0.929 1.00 0.00 N ATOM 323 CA ASN A 25 116.480 -1.455 -0.088 1.00 0.00 C ATOM 324 C ASN A 25 117.229 -2.724 0.303 1.00 0.00 C ATOM 325 O ASN A 25 118.006 -3.259 -0.487 1.00 0.00 O ATOM 326 CB ASN A 25 115.201 -1.854 -0.833 1.00 0.00 C ATOM 327 CG ASN A 25 114.333 -0.635 -1.147 1.00 0.00 C ATOM 328 OD1 ASN A 25 114.716 0.502 -0.875 1.00 0.00 O ATOM 329 ND2 ASN A 25 113.167 -0.811 -1.705 1.00 0.00 N ATOM 0 H ASN A 25 117.773 -1.077 -1.700 1.00 0.00 H new ATOM 0 HA ASN A 25 116.229 -0.892 0.811 1.00 0.00 H new ATOM 0 HB2 ASN A 25 115.463 -2.364 -1.760 1.00 0.00 H new ATOM 0 HB3 ASN A 25 114.632 -2.561 -0.229 1.00 0.00 H new ATOM 0 HD21 ASN A 25 112.575 -0.007 -1.915 1.00 0.00 H new ATOM 0 HD22 ASN A 25 112.847 -1.753 -1.932 1.00 0.00 H new ATOM 336 N LEU A 26 116.988 -3.190 1.527 1.00 0.00 N ATOM 337 CA LEU A 26 117.518 -4.473 1.982 1.00 0.00 C ATOM 338 C LEU A 26 116.362 -5.342 2.463 1.00 0.00 C ATOM 339 O LEU A 26 115.470 -4.851 3.157 1.00 0.00 O ATOM 340 CB LEU A 26 118.516 -4.261 3.124 1.00 0.00 C ATOM 341 CG LEU A 26 119.638 -3.323 2.671 1.00 0.00 C ATOM 342 CD1 LEU A 26 120.566 -3.033 3.853 1.00 0.00 C ATOM 343 CD2 LEU A 26 120.446 -3.987 1.553 1.00 0.00 C ATOM 0 H LEU A 26 116.428 -2.697 2.222 1.00 0.00 H new ATOM 0 HA LEU A 26 118.034 -4.964 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 26 118.006 -3.840 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 26 118.934 -5.218 3.435 1.00 0.00 H new ATOM 0 HG LEU A 26 119.203 -2.393 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 26 121.366 -2.365 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 26 119.998 -2.560 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 26 120.996 -3.967 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 26 121.244 -3.317 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 26 120.879 -4.917 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 26 119.791 -4.201 0.708 1.00 0.00 H new ATOM 355 N LYS A 27 116.364 -6.627 2.107 1.00 0.00 N ATOM 356 CA LYS A 27 115.238 -7.501 2.446 1.00 0.00 C ATOM 357 C LYS A 27 115.704 -8.785 3.124 1.00 0.00 C ATOM 358 O LYS A 27 116.756 -9.334 2.796 1.00 0.00 O ATOM 359 CB LYS A 27 114.436 -7.851 1.190 1.00 0.00 C ATOM 360 CG LYS A 27 113.962 -6.565 0.505 1.00 0.00 C ATOM 361 CD LYS A 27 112.941 -6.897 -0.587 1.00 0.00 C ATOM 362 CE LYS A 27 113.604 -7.730 -1.687 1.00 0.00 C ATOM 363 NZ LYS A 27 112.605 -8.026 -2.752 1.00 0.00 N ATOM 0 H LYS A 27 117.119 -7.081 1.593 1.00 0.00 H new ATOM 0 HA LYS A 27 114.605 -6.955 3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 27 115.051 -8.434 0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 27 113.579 -8.471 1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 27 113.515 -5.895 1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 27 114.813 -6.040 0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 27 112.103 -7.447 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 27 112.536 -5.977 -1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 27 114.451 -7.189 -2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 27 113.994 -8.659 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 113.097 -8.346 -3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 111.959 -8.773 -2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 112.060 -7.166 -2.966 1.00 0.00 H new ATOM 377 N TYR A 28 114.899 -9.252 4.075 1.00 0.00 N ATOM 378 CA TYR A 28 115.176 -10.501 4.779 1.00 0.00 C ATOM 379 C TYR A 28 114.008 -11.469 4.604 1.00 0.00 C ATOM 380 O TYR A 28 112.847 -11.053 4.640 1.00 0.00 O ATOM 381 CB TYR A 28 115.393 -10.226 6.268 1.00 0.00 C ATOM 382 CG TYR A 28 115.780 -11.455 7.055 1.00 0.00 C ATOM 383 CD1 TYR A 28 117.130 -11.794 7.205 1.00 0.00 C ATOM 384 CD2 TYR A 28 114.789 -12.257 7.635 1.00 0.00 C ATOM 385 CE1 TYR A 28 117.490 -12.933 7.935 1.00 0.00 C ATOM 386 CE2 TYR A 28 115.149 -13.397 8.364 1.00 0.00 C ATOM 387 CZ TYR A 28 116.499 -13.735 8.514 1.00 0.00 C ATOM 388 OH TYR A 28 116.853 -14.859 9.232 1.00 0.00 O ATOM 0 H TYR A 28 114.046 -8.782 4.377 1.00 0.00 H new ATOM 0 HA TYR A 28 116.079 -10.947 4.361 1.00 0.00 H new ATOM 0 HB2 TYR A 28 116.172 -9.471 6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 28 114.479 -9.807 6.689 1.00 0.00 H new ATOM 0 HD1 TYR A 28 117.894 -11.176 6.757 1.00 0.00 H new ATOM 0 HD2 TYR A 28 113.747 -11.996 7.520 1.00 0.00 H new ATOM 0 HE1 TYR A 28 118.532 -13.193 8.052 1.00 0.00 H new ATOM 0 HE2 TYR A 28 114.385 -14.016 8.811 1.00 0.00 H new ATOM 0 HH TYR A 28 116.045 -15.301 9.567 1.00 0.00 H new ATOM 398 N ARG A 29 114.326 -12.746 4.392 1.00 0.00 N ATOM 399 CA ARG A 29 113.305 -13.766 4.161 1.00 0.00 C ATOM 400 C ARG A 29 113.513 -14.982 5.061 1.00 0.00 C ATOM 401 O ARG A 29 114.644 -15.413 5.285 1.00 0.00 O ATOM 402 CB ARG A 29 113.337 -14.216 2.699 1.00 0.00 C ATOM 403 CG ARG A 29 112.982 -13.039 1.789 1.00 0.00 C ATOM 404 CD ARG A 29 112.940 -13.515 0.337 1.00 0.00 C ATOM 405 NE ARG A 29 111.798 -14.411 0.134 1.00 0.00 N ATOM 406 CZ ARG A 29 111.778 -15.395 -0.778 1.00 0.00 C ATOM 407 NH1 ARG A 29 112.790 -15.627 -1.580 1.00 0.00 N ATOM 408 NH2 ARG A 29 110.713 -16.143 -0.874 1.00 0.00 N ATOM 0 H ARG A 29 115.283 -13.098 4.376 1.00 0.00 H new ATOM 0 HA ARG A 29 112.338 -13.322 4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 29 114.327 -14.597 2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 29 112.632 -15.033 2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 29 112.016 -12.622 2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 29 113.718 -12.243 1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 29 112.864 -12.658 -0.333 1.00 0.00 H new ATOM 0 HD3 ARG A 29 113.867 -14.032 0.089 1.00 0.00 H new ATOM 0 HE ARG A 29 110.973 -14.279 0.719 1.00 0.00 H new ATOM 0 HH11 ARG A 29 113.629 -15.050 -1.523 1.00 0.00 H new ATOM 0 HH12 ARG A 29 112.738 -16.385 -2.261 1.00 0.00 H new ATOM 0 HH21 ARG A 29 109.915 -15.975 -0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 29 110.679 -16.896 -1.561 1.00 0.00 H new ATOM 422 N TYR A 30 112.412 -15.531 5.573 1.00 0.00 N ATOM 423 CA TYR A 30 112.472 -16.723 6.418 1.00 0.00 C ATOM 424 C TYR A 30 111.491 -17.782 5.918 1.00 0.00 C ATOM 425 O TYR A 30 110.365 -17.465 5.538 1.00 0.00 O ATOM 426 CB TYR A 30 112.134 -16.356 7.864 1.00 0.00 C ATOM 427 CG TYR A 30 112.283 -17.511 8.826 1.00 0.00 C ATOM 428 CD1 TYR A 30 113.535 -17.805 9.378 1.00 0.00 C ATOM 429 CD2 TYR A 30 111.168 -18.287 9.166 1.00 0.00 C ATOM 430 CE1 TYR A 30 113.674 -18.875 10.269 1.00 0.00 C ATOM 431 CE2 TYR A 30 111.307 -19.358 10.058 1.00 0.00 C ATOM 432 CZ TYR A 30 112.559 -19.652 10.609 1.00 0.00 C ATOM 433 OH TYR A 30 112.696 -20.707 11.487 1.00 0.00 O ATOM 0 H TYR A 30 111.470 -15.171 5.418 1.00 0.00 H new ATOM 0 HA TYR A 30 113.483 -17.128 6.373 1.00 0.00 H new ATOM 0 HB2 TYR A 30 112.781 -15.540 8.185 1.00 0.00 H new ATOM 0 HB3 TYR A 30 111.110 -15.986 7.907 1.00 0.00 H new ATOM 0 HD1 TYR A 30 114.394 -17.206 9.116 1.00 0.00 H new ATOM 0 HD2 TYR A 30 110.202 -18.060 8.741 1.00 0.00 H new ATOM 0 HE1 TYR A 30 114.640 -19.102 10.694 1.00 0.00 H new ATOM 0 HE2 TYR A 30 110.448 -19.957 10.321 1.00 0.00 H new ATOM 0 HH TYR A 30 111.827 -21.140 11.616 1.00 0.00 H new ATOM 443 N GLU A 31 111.924 -19.042 5.919 1.00 0.00 N ATOM 444 CA GLU A 31 111.086 -20.136 5.429 1.00 0.00 C ATOM 445 C GLU A 31 111.093 -21.315 6.400 1.00 0.00 C ATOM 446 O GLU A 31 112.089 -21.568 7.077 1.00 0.00 O ATOM 447 CB GLU A 31 111.589 -20.600 4.061 1.00 0.00 C ATOM 448 CG GLU A 31 111.483 -19.445 3.058 1.00 0.00 C ATOM 449 CD GLU A 31 111.895 -19.877 1.646 1.00 0.00 C ATOM 450 OE1 GLU A 31 112.433 -20.963 1.487 1.00 0.00 O ATOM 451 OE2 GLU A 31 111.664 -19.102 0.733 1.00 0.00 O ATOM 0 H GLU A 31 112.844 -19.330 6.251 1.00 0.00 H new ATOM 0 HA GLU A 31 110.064 -19.767 5.343 1.00 0.00 H new ATOM 0 HB2 GLU A 31 112.623 -20.936 4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 31 111.002 -21.451 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 31 110.459 -19.072 3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 31 112.116 -18.620 3.385 1.00 0.00 H new ATOM 458 N GLU A 32 109.974 -22.034 6.462 1.00 0.00 N ATOM 459 CA GLU A 32 109.867 -23.202 7.332 1.00 0.00 C ATOM 460 C GLU A 32 110.129 -24.482 6.544 1.00 0.00 C ATOM 461 O GLU A 32 109.794 -24.576 5.363 1.00 0.00 O ATOM 462 CB GLU A 32 108.474 -23.263 7.961 1.00 0.00 C ATOM 463 CG GLU A 32 108.246 -22.016 8.824 1.00 0.00 C ATOM 464 CD GLU A 32 106.896 -22.066 9.547 1.00 0.00 C ATOM 465 OE1 GLU A 32 106.084 -22.928 9.240 1.00 0.00 O ATOM 466 OE2 GLU A 32 106.691 -21.229 10.411 1.00 0.00 O ATOM 0 H GLU A 32 109.133 -21.829 5.923 1.00 0.00 H new ATOM 0 HA GLU A 32 110.615 -23.113 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 32 107.714 -23.323 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 32 108.378 -24.162 8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 32 109.048 -21.929 9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 32 108.290 -21.126 8.196 1.00 0.00 H new ATOM 473 N ASP A 33 110.730 -25.466 7.206 1.00 0.00 N ATOM 474 CA ASP A 33 111.136 -26.698 6.535 1.00 0.00 C ATOM 475 C ASP A 33 109.944 -27.547 6.094 1.00 0.00 C ATOM 476 O ASP A 33 109.922 -28.045 4.968 1.00 0.00 O ATOM 477 CB ASP A 33 112.024 -27.523 7.470 1.00 0.00 C ATOM 478 CG ASP A 33 113.313 -26.768 7.788 1.00 0.00 C ATOM 479 OD1 ASP A 33 113.771 -26.021 6.938 1.00 0.00 O ATOM 480 OD2 ASP A 33 113.824 -26.949 8.880 1.00 0.00 O ATOM 0 H ASP A 33 110.946 -25.436 8.202 1.00 0.00 H new ATOM 0 HA ASP A 33 111.684 -26.410 5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 33 111.486 -27.741 8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 33 112.261 -28.480 7.005 1.00 0.00 H new ATOM 485 N ASN A 34 108.955 -27.715 6.971 1.00 0.00 N ATOM 486 CA ASN A 34 107.833 -28.613 6.673 1.00 0.00 C ATOM 487 C ASN A 34 106.551 -27.876 6.269 1.00 0.00 C ATOM 488 O ASN A 34 105.617 -28.500 5.763 1.00 0.00 O ATOM 489 CB ASN A 34 107.539 -29.479 7.900 1.00 0.00 C ATOM 490 CG ASN A 34 108.774 -30.293 8.271 1.00 0.00 C ATOM 491 OD1 ASN A 34 109.473 -30.797 7.393 1.00 0.00 O ATOM 492 ND2 ASN A 34 109.084 -30.452 9.529 1.00 0.00 N ATOM 0 H ASN A 34 108.904 -27.252 7.878 1.00 0.00 H new ATOM 0 HA ASN A 34 108.137 -29.219 5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 34 107.244 -28.848 8.738 1.00 0.00 H new ATOM 0 HB3 ASN A 34 106.702 -30.146 7.693 1.00 0.00 H new ATOM 0 HD21 ASN A 34 109.908 -30.995 9.786 1.00 0.00 H new ATOM 0 HD22 ASN A 34 108.502 -30.033 10.255 1.00 0.00 H new ATOM 499 N SER A 35 106.493 -26.564 6.486 1.00 0.00 N ATOM 500 CA SER A 35 105.333 -25.779 6.081 1.00 0.00 C ATOM 501 C SER A 35 105.783 -24.371 5.676 1.00 0.00 C ATOM 502 O SER A 35 105.558 -23.411 6.419 1.00 0.00 O ATOM 503 CB SER A 35 104.318 -25.718 7.226 1.00 0.00 C ATOM 504 OG SER A 35 105.005 -25.473 8.446 1.00 0.00 O ATOM 0 H SER A 35 107.232 -26.026 6.938 1.00 0.00 H new ATOM 0 HA SER A 35 104.853 -26.252 5.224 1.00 0.00 H new ATOM 0 HB2 SER A 35 103.589 -24.929 7.040 1.00 0.00 H new ATOM 0 HB3 SER A 35 103.765 -26.655 7.288 1.00 0.00 H new ATOM 0 HG SER A 35 105.290 -24.536 8.478 1.00 0.00 H new ATOM 510 N PRO A 36 106.396 -24.217 4.521 1.00 0.00 N ATOM 511 CA PRO A 36 107.044 -22.919 4.166 1.00 0.00 C ATOM 512 C PRO A 36 106.038 -21.805 3.891 1.00 0.00 C ATOM 513 O PRO A 36 105.048 -21.992 3.184 1.00 0.00 O ATOM 514 CB PRO A 36 107.856 -23.240 2.909 1.00 0.00 C ATOM 515 CG PRO A 36 107.169 -24.404 2.283 1.00 0.00 C ATOM 516 CD PRO A 36 106.534 -25.198 3.424 1.00 0.00 C ATOM 0 HA PRO A 36 107.651 -22.543 4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 36 107.883 -22.388 2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 36 108.889 -23.481 3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 36 106.412 -24.072 1.573 1.00 0.00 H new ATOM 0 HG3 PRO A 36 107.877 -25.020 1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 36 105.567 -25.608 3.133 1.00 0.00 H new ATOM 0 HD3 PRO A 36 107.161 -26.039 3.720 1.00 0.00 H new ATOM 524 N LEU A 37 106.324 -20.645 4.468 1.00 0.00 N ATOM 525 CA LEU A 37 105.575 -19.424 4.197 1.00 0.00 C ATOM 526 C LEU A 37 106.566 -18.346 3.778 1.00 0.00 C ATOM 527 O LEU A 37 107.609 -18.206 4.420 1.00 0.00 O ATOM 528 CB LEU A 37 104.817 -18.973 5.448 1.00 0.00 C ATOM 529 CG LEU A 37 103.894 -20.094 5.932 1.00 0.00 C ATOM 530 CD1 LEU A 37 103.230 -19.674 7.246 1.00 0.00 C ATOM 531 CD2 LEU A 37 102.810 -20.356 4.884 1.00 0.00 C ATOM 0 H LEU A 37 107.083 -20.524 5.138 1.00 0.00 H new ATOM 0 HA LEU A 37 104.847 -19.603 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 37 105.523 -18.706 6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 37 104.233 -18.079 5.227 1.00 0.00 H new ATOM 0 HG LEU A 37 104.479 -21.001 6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.572 -20.471 7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 37 103.997 -19.485 7.997 1.00 0.00 H new ATOM 0 HD13 LEU A 37 102.647 -18.767 7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.154 -21.155 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 37 102.226 -19.448 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 37 103.276 -20.652 3.944 1.00 0.00 H new ATOM 543 N GLY A 38 106.258 -17.588 2.725 1.00 0.00 N ATOM 544 CA GLY A 38 107.219 -16.616 2.225 1.00 0.00 C ATOM 545 C GLY A 38 106.962 -15.268 2.871 1.00 0.00 C ATOM 546 O GLY A 38 105.901 -14.677 2.689 1.00 0.00 O ATOM 0 H GLY A 38 105.375 -17.628 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 38 108.234 -16.948 2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 38 107.137 -16.533 1.141 1.00 0.00 H new ATOM 550 N VAL A 39 107.934 -14.782 3.635 1.00 0.00 N ATOM 551 CA VAL A 39 107.792 -13.495 4.306 1.00 0.00 C ATOM 552 C VAL A 39 108.942 -12.585 3.901 1.00 0.00 C ATOM 553 O VAL A 39 110.105 -12.981 3.939 1.00 0.00 O ATOM 554 CB VAL A 39 107.771 -13.707 5.826 1.00 0.00 C ATOM 555 CG1 VAL A 39 109.083 -14.350 6.289 1.00 0.00 C ATOM 556 CG2 VAL A 39 107.583 -12.363 6.537 1.00 0.00 C ATOM 0 H VAL A 39 108.822 -15.255 3.804 1.00 0.00 H new ATOM 0 HA VAL A 39 106.855 -13.023 4.011 1.00 0.00 H new ATOM 0 HB VAL A 39 106.941 -14.369 6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 39 109.056 -14.495 7.369 1.00 0.00 H new ATOM 0 HG12 VAL A 39 109.209 -15.314 5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 39 109.918 -13.699 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 39 107.569 -12.521 7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 39 108.406 -11.696 6.278 1.00 0.00 H new ATOM 0 HG23 VAL A 39 106.640 -11.914 6.224 1.00 0.00 H new ATOM 566 N ILE A 40 108.603 -11.365 3.508 1.00 0.00 N ATOM 567 CA ILE A 40 109.615 -10.379 3.151 1.00 0.00 C ATOM 568 C ILE A 40 109.426 -9.130 3.997 1.00 0.00 C ATOM 569 O ILE A 40 108.310 -8.625 4.121 1.00 0.00 O ATOM 570 CB ILE A 40 109.493 -10.014 1.665 1.00 0.00 C ATOM 571 CG1 ILE A 40 109.593 -11.276 0.802 1.00 0.00 C ATOM 572 CG2 ILE A 40 110.621 -9.056 1.274 1.00 0.00 C ATOM 573 CD1 ILE A 40 109.287 -10.925 -0.655 1.00 0.00 C ATOM 0 H ILE A 40 107.641 -11.035 3.428 1.00 0.00 H new ATOM 0 HA ILE A 40 110.603 -10.800 3.334 1.00 0.00 H new ATOM 0 HB ILE A 40 108.527 -9.537 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 40 110.592 -11.705 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.892 -12.030 1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 40 110.531 -8.799 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 40 110.553 -8.149 1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 40 111.584 -9.536 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 40 109.358 -11.823 -1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.279 -10.516 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 40 110.005 -10.186 -1.010 1.00 0.00 H new ATOM 585 N GLY A 41 110.516 -8.661 4.591 1.00 0.00 N ATOM 586 CA GLY A 41 110.523 -7.363 5.258 1.00 0.00 C ATOM 587 C GLY A 41 111.610 -6.500 4.636 1.00 0.00 C ATOM 588 O GLY A 41 112.748 -6.945 4.509 1.00 0.00 O ATOM 0 H GLY A 41 111.406 -9.158 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 41 109.551 -6.880 5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 41 110.704 -7.488 6.326 1.00 0.00 H new ATOM 592 N SER A 42 111.258 -5.274 4.253 1.00 0.00 N ATOM 593 CA SER A 42 112.184 -4.416 3.516 1.00 0.00 C ATOM 594 C SER A 42 112.318 -3.045 4.169 1.00 0.00 C ATOM 595 O SER A 42 111.329 -2.445 4.590 1.00 0.00 O ATOM 596 CB SER A 42 111.683 -4.238 2.083 1.00 0.00 C ATOM 597 OG SER A 42 112.643 -3.497 1.341 1.00 0.00 O ATOM 0 H SER A 42 110.347 -4.855 4.439 1.00 0.00 H new ATOM 0 HA SER A 42 113.162 -4.896 3.522 1.00 0.00 H new ATOM 0 HB2 SER A 42 111.519 -5.211 1.619 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.725 -3.718 2.082 1.00 0.00 H new ATOM 0 HG SER A 42 112.327 -3.382 0.421 1.00 0.00 H new ATOM 603 N PHE A 43 113.553 -2.558 4.249 1.00 0.00 N ATOM 604 CA PHE A 43 113.810 -1.202 4.723 1.00 0.00 C ATOM 605 C PHE A 43 114.357 -0.366 3.574 1.00 0.00 C ATOM 606 O PHE A 43 115.368 -0.724 2.969 1.00 0.00 O ATOM 607 CB PHE A 43 114.822 -1.230 5.869 1.00 0.00 C ATOM 608 CG PHE A 43 115.048 0.120 6.508 1.00 0.00 C ATOM 609 CD1 PHE A 43 116.049 0.968 6.017 1.00 0.00 C ATOM 610 CD2 PHE A 43 114.255 0.525 7.589 1.00 0.00 C ATOM 611 CE1 PHE A 43 116.257 2.220 6.610 1.00 0.00 C ATOM 612 CE2 PHE A 43 114.463 1.776 8.180 1.00 0.00 C ATOM 613 CZ PHE A 43 115.465 2.624 7.691 1.00 0.00 C ATOM 0 H PHE A 43 114.390 -3.081 3.992 1.00 0.00 H new ATOM 0 HA PHE A 43 112.880 -0.764 5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 43 114.477 -1.930 6.630 1.00 0.00 H new ATOM 0 HB3 PHE A 43 115.773 -1.609 5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.660 0.657 5.182 1.00 0.00 H new ATOM 0 HD2 PHE A 43 113.483 -0.129 7.967 1.00 0.00 H new ATOM 0 HE1 PHE A 43 117.029 2.874 6.233 1.00 0.00 H new ATOM 0 HE2 PHE A 43 113.851 2.088 9.013 1.00 0.00 H new ATOM 0 HZ PHE A 43 115.626 3.589 8.148 1.00 0.00 H new ATOM 623 N THR A 44 113.694 0.747 3.268 1.00 0.00 N ATOM 624 CA THR A 44 114.111 1.588 2.146 1.00 0.00 C ATOM 625 C THR A 44 114.406 3.011 2.602 1.00 0.00 C ATOM 626 O THR A 44 113.700 3.559 3.446 1.00 0.00 O ATOM 627 CB THR A 44 113.010 1.612 1.081 1.00 0.00 C ATOM 628 OG1 THR A 44 113.415 2.447 0.006 1.00 0.00 O ATOM 629 CG2 THR A 44 111.707 2.145 1.681 1.00 0.00 C ATOM 0 H THR A 44 112.875 1.086 3.774 1.00 0.00 H new ATOM 0 HA THR A 44 115.024 1.165 1.727 1.00 0.00 H new ATOM 0 HB THR A 44 112.842 0.598 0.717 1.00 0.00 H new ATOM 0 HG1 THR A 44 114.027 1.954 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 44 110.932 2.157 0.915 1.00 0.00 H new ATOM 0 HG22 THR A 44 111.395 1.501 2.503 1.00 0.00 H new ATOM 0 HG23 THR A 44 111.865 3.157 2.053 1.00 0.00 H new ATOM 637 N TYR A 45 115.455 3.591 2.029 1.00 0.00 N ATOM 638 CA TYR A 45 115.796 4.987 2.286 1.00 0.00 C ATOM 639 C TYR A 45 115.987 5.716 0.962 1.00 0.00 C ATOM 640 O TYR A 45 116.702 5.227 0.086 1.00 0.00 O ATOM 641 CB TYR A 45 117.080 5.073 3.112 1.00 0.00 C ATOM 642 CG TYR A 45 117.453 6.485 3.497 1.00 0.00 C ATOM 643 CD1 TYR A 45 116.889 7.074 4.635 1.00 0.00 C ATOM 644 CD2 TYR A 45 118.362 7.207 2.714 1.00 0.00 C ATOM 645 CE1 TYR A 45 117.234 8.383 4.991 1.00 0.00 C ATOM 646 CE2 TYR A 45 118.708 8.516 3.070 1.00 0.00 C ATOM 647 CZ TYR A 45 118.144 9.104 4.208 1.00 0.00 C ATOM 648 OH TYR A 45 118.483 10.395 4.558 1.00 0.00 O ATOM 0 H TYR A 45 116.085 3.116 1.383 1.00 0.00 H new ATOM 0 HA TYR A 45 114.986 5.454 2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 45 116.962 4.477 4.017 1.00 0.00 H new ATOM 0 HB3 TYR A 45 117.899 4.631 2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 45 116.187 6.518 5.239 1.00 0.00 H new ATOM 0 HD2 TYR A 45 118.796 6.754 1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 45 116.799 8.837 5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 45 119.410 9.072 2.467 1.00 0.00 H new ATOM 0 HH TYR A 45 119.126 10.751 3.910 1.00 0.00 H new ATOM 658 N THR A 46 115.339 6.870 0.815 1.00 0.00 N ATOM 659 CA THR A 46 115.389 7.618 -0.439 1.00 0.00 C ATOM 660 C THR A 46 115.727 9.084 -0.182 1.00 0.00 C ATOM 661 O THR A 46 115.254 9.678 0.790 1.00 0.00 O ATOM 662 CB THR A 46 114.037 7.515 -1.146 1.00 0.00 C ATOM 663 OG1 THR A 46 113.696 6.145 -1.311 1.00 0.00 O ATOM 664 CG2 THR A 46 114.109 8.193 -2.515 1.00 0.00 C ATOM 0 H THR A 46 114.776 7.306 1.545 1.00 0.00 H new ATOM 0 HA THR A 46 116.169 7.192 -1.070 1.00 0.00 H new ATOM 0 HB THR A 46 113.278 8.013 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 46 112.829 6.076 -1.762 1.00 0.00 H new ATOM 0 HG21 THR A 46 113.142 8.115 -3.011 1.00 0.00 H new ATOM 0 HG22 THR A 46 114.367 9.244 -2.387 1.00 0.00 H new ATOM 0 HG23 THR A 46 114.870 7.704 -3.124 1.00 0.00 H new ATOM 672 N GLU A 47 116.529 9.658 -1.077 1.00 0.00 N ATOM 673 CA GLU A 47 116.961 11.044 -0.943 1.00 0.00 C ATOM 674 C GLU A 47 116.847 11.755 -2.287 1.00 0.00 C ATOM 675 O GLU A 47 116.997 11.130 -3.337 1.00 0.00 O ATOM 676 CB GLU A 47 118.411 11.090 -0.452 1.00 0.00 C ATOM 677 CG GLU A 47 118.812 12.538 -0.144 1.00 0.00 C ATOM 678 CD GLU A 47 120.283 12.648 0.275 1.00 0.00 C ATOM 679 OE1 GLU A 47 120.978 11.641 0.296 1.00 0.00 O ATOM 680 OE2 GLU A 47 120.697 13.755 0.576 1.00 0.00 O ATOM 0 H GLU A 47 116.892 9.182 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 47 116.322 11.548 -0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 47 118.521 10.475 0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 47 119.074 10.673 -1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 47 118.638 13.158 -1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 47 118.178 12.929 0.652 1.00 0.00 H new ATOM 687 N LYS A 48 116.551 13.051 -2.251 1.00 0.00 N ATOM 688 CA LYS A 48 116.463 13.835 -3.477 1.00 0.00 C ATOM 689 C LYS A 48 117.830 14.408 -3.841 1.00 0.00 C ATOM 690 O LYS A 48 118.554 14.903 -2.978 1.00 0.00 O ATOM 691 CB LYS A 48 115.456 14.974 -3.303 1.00 0.00 C ATOM 692 CG LYS A 48 115.258 15.686 -4.643 1.00 0.00 C ATOM 693 CD LYS A 48 114.162 16.747 -4.510 1.00 0.00 C ATOM 694 CE LYS A 48 114.647 17.889 -3.614 1.00 0.00 C ATOM 695 NZ LYS A 48 115.908 18.460 -4.167 1.00 0.00 N ATOM 0 H LYS A 48 116.370 13.576 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 48 116.128 13.181 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 48 114.505 14.582 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 48 115.814 15.679 -2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 48 116.191 16.152 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 48 114.986 14.963 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 48 113.897 17.133 -5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 48 113.261 16.301 -4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 48 113.883 18.664 -3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 48 114.815 17.523 -2.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 116.020 19.440 -3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 116.717 17.891 -3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 115.868 18.448 -5.206 1.00 0.00 H new ATOM 709 N SER A 49 118.174 14.337 -5.123 1.00 0.00 N ATOM 710 CA SER A 49 119.466 14.833 -5.584 1.00 0.00 C ATOM 711 C SER A 49 119.382 16.315 -5.934 1.00 0.00 C ATOM 712 O SER A 49 118.331 16.809 -6.343 1.00 0.00 O ATOM 713 CB SER A 49 119.919 14.043 -6.812 1.00 0.00 C ATOM 714 OG SER A 49 119.122 14.417 -7.928 1.00 0.00 O ATOM 0 H SER A 49 117.582 13.945 -5.855 1.00 0.00 H new ATOM 0 HA SER A 49 120.190 14.704 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 49 120.971 14.240 -7.019 1.00 0.00 H new ATOM 0 HB3 SER A 49 119.826 12.973 -6.626 1.00 0.00 H new ATOM 0 HG SER A 49 118.189 14.516 -7.645 1.00 0.00 H new ATOM 720 N ARG A 50 120.497 17.019 -5.769 1.00 0.00 N ATOM 721 CA ARG A 50 120.545 18.445 -6.071 1.00 0.00 C ATOM 722 C ARG A 50 121.022 18.672 -7.502 1.00 0.00 C ATOM 723 O ARG A 50 121.845 17.918 -8.019 1.00 0.00 O ATOM 724 CB ARG A 50 121.489 19.154 -5.097 1.00 0.00 C ATOM 725 CG ARG A 50 121.418 20.666 -5.321 1.00 0.00 C ATOM 726 CD ARG A 50 122.405 21.367 -4.386 1.00 0.00 C ATOM 727 NE ARG A 50 122.266 22.821 -4.501 1.00 0.00 N ATOM 728 CZ ARG A 50 122.776 23.687 -3.609 1.00 0.00 C ATOM 729 NH1 ARG A 50 123.444 23.290 -2.553 1.00 0.00 N ATOM 730 NH2 ARG A 50 122.599 24.965 -3.802 1.00 0.00 N ATOM 0 H ARG A 50 121.376 16.628 -5.429 1.00 0.00 H new ATOM 0 HA ARG A 50 119.541 18.855 -5.965 1.00 0.00 H new ATOM 0 HB2 ARG A 50 121.214 18.915 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 50 122.510 18.802 -5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 50 121.653 20.902 -6.359 1.00 0.00 H new ATOM 0 HG3 ARG A 50 120.406 21.025 -5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 50 122.224 21.057 -3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 50 123.424 21.071 -4.634 1.00 0.00 H new ATOM 0 HE ARG A 50 121.755 23.196 -5.300 1.00 0.00 H new ATOM 0 HH11 ARG A 50 123.591 22.294 -2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 50 123.817 23.977 -1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 50 122.081 25.291 -4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 50 122.978 25.639 -3.137 1.00 0.00 H new ATOM 744 N THR A 51 120.498 19.716 -8.137 1.00 0.00 N ATOM 745 CA THR A 51 120.872 20.034 -9.511 1.00 0.00 C ATOM 746 C THR A 51 121.862 21.194 -9.542 1.00 0.00 C ATOM 747 O THR A 51 121.716 22.170 -8.806 1.00 0.00 O ATOM 748 CB THR A 51 119.626 20.404 -10.318 1.00 0.00 C ATOM 749 OG1 THR A 51 118.663 19.366 -10.199 1.00 0.00 O ATOM 750 CG2 THR A 51 120.003 20.585 -11.790 1.00 0.00 C ATOM 0 H THR A 51 119.817 20.353 -7.725 1.00 0.00 H new ATOM 0 HA THR A 51 121.344 19.156 -9.952 1.00 0.00 H new ATOM 0 HB THR A 51 119.208 21.335 -9.936 1.00 0.00 H new ATOM 0 HG1 THR A 51 117.863 19.601 -10.714 1.00 0.00 H new ATOM 0 HG21 THR A 51 119.114 20.849 -12.363 1.00 0.00 H new ATOM 0 HG22 THR A 51 120.743 21.380 -11.881 1.00 0.00 H new ATOM 0 HG23 THR A 51 120.421 19.655 -12.176 1.00 0.00 H new ATOM 758 N ALA A 52 122.871 21.080 -10.400 1.00 0.00 N ATOM 759 CA ALA A 52 123.886 22.119 -10.518 1.00 0.00 C ATOM 760 C ALA A 52 123.331 23.338 -11.247 1.00 0.00 C ATOM 761 O ALA A 52 122.455 23.214 -12.102 1.00 0.00 O ATOM 762 CB ALA A 52 125.099 21.579 -11.278 1.00 0.00 C ATOM 0 H ALA A 52 123.007 20.282 -11.021 1.00 0.00 H new ATOM 0 HA ALA A 52 124.187 22.418 -9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 52 125.853 22.361 -11.362 1.00 0.00 H new ATOM 0 HB2 ALA A 52 125.517 20.728 -10.739 1.00 0.00 H new ATOM 0 HB3 ALA A 52 124.792 21.262 -12.275 1.00 0.00 H new ATOM 768 N SER A 53 123.845 24.514 -10.895 1.00 0.00 N ATOM 769 CA SER A 53 123.421 25.767 -11.520 1.00 0.00 C ATOM 770 C SER A 53 121.901 25.911 -11.516 1.00 0.00 C ATOM 771 O SER A 53 121.209 25.377 -12.383 1.00 0.00 O ATOM 772 CB SER A 53 123.945 25.838 -12.956 1.00 0.00 C ATOM 773 OG SER A 53 123.239 24.908 -13.765 1.00 0.00 O ATOM 0 H SER A 53 124.560 24.627 -10.176 1.00 0.00 H new ATOM 0 HA SER A 53 123.838 26.588 -10.937 1.00 0.00 H new ATOM 0 HB2 SER A 53 123.821 26.847 -13.350 1.00 0.00 H new ATOM 0 HB3 SER A 53 125.012 25.617 -12.976 1.00 0.00 H new ATOM 0 HG SER A 53 122.511 24.509 -13.245 1.00 0.00 H new ATOM 779 N SER A 54 121.388 26.649 -10.537 1.00 0.00 N ATOM 780 CA SER A 54 119.951 26.877 -10.434 1.00 0.00 C ATOM 781 C SER A 54 119.645 27.862 -9.310 1.00 0.00 C ATOM 782 O SER A 54 118.964 28.866 -9.518 1.00 0.00 O ATOM 783 CB SER A 54 119.231 25.554 -10.166 1.00 0.00 C ATOM 784 OG SER A 54 117.855 25.813 -9.923 1.00 0.00 O ATOM 0 H SER A 54 121.942 27.097 -9.807 1.00 0.00 H new ATOM 0 HA SER A 54 119.599 27.297 -11.376 1.00 0.00 H new ATOM 0 HB2 SER A 54 119.343 24.886 -11.020 1.00 0.00 H new ATOM 0 HB3 SER A 54 119.676 25.051 -9.307 1.00 0.00 H new ATOM 0 HG SER A 54 117.388 24.968 -9.752 1.00 0.00 H new ATOM 790 N GLY A 55 120.155 27.565 -8.119 1.00 0.00 N ATOM 791 CA GLY A 55 119.934 28.430 -6.960 1.00 0.00 C ATOM 792 C GLY A 55 118.765 27.974 -6.075 1.00 0.00 C ATOM 793 O GLY A 55 118.555 28.536 -5.000 1.00 0.00 O ATOM 0 H GLY A 55 120.721 26.738 -7.929 1.00 0.00 H new ATOM 0 HA2 GLY A 55 120.844 28.461 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 55 119.744 29.446 -7.305 1.00 0.00 H new ATOM 797 N ASP A 56 118.006 26.968 -6.511 1.00 0.00 N ATOM 798 CA ASP A 56 116.904 26.447 -5.710 1.00 0.00 C ATOM 799 C ASP A 56 117.382 25.280 -4.852 1.00 0.00 C ATOM 800 O ASP A 56 117.824 24.257 -5.377 1.00 0.00 O ATOM 801 CB ASP A 56 115.767 25.984 -6.622 1.00 0.00 C ATOM 802 CG ASP A 56 114.562 25.569 -5.785 1.00 0.00 C ATOM 803 OD1 ASP A 56 113.806 26.444 -5.396 1.00 0.00 O ATOM 804 OD2 ASP A 56 114.413 24.383 -5.544 1.00 0.00 O ATOM 0 H ASP A 56 118.135 26.502 -7.409 1.00 0.00 H new ATOM 0 HA ASP A 56 116.540 27.241 -5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 56 115.487 26.787 -7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 56 116.100 25.147 -7.235 1.00 0.00 H new ATOM 809 N TYR A 57 117.291 25.433 -3.533 1.00 0.00 N ATOM 810 CA TYR A 57 117.742 24.391 -2.613 1.00 0.00 C ATOM 811 C TYR A 57 116.613 23.957 -1.681 1.00 0.00 C ATOM 812 O TYR A 57 115.849 24.784 -1.184 1.00 0.00 O ATOM 813 CB TYR A 57 118.931 24.904 -1.795 1.00 0.00 C ATOM 814 CG TYR A 57 118.582 26.017 -0.833 1.00 0.00 C ATOM 815 CD1 TYR A 57 118.555 27.344 -1.277 1.00 0.00 C ATOM 816 CD2 TYR A 57 118.285 25.719 0.503 1.00 0.00 C ATOM 817 CE1 TYR A 57 118.231 28.374 -0.386 1.00 0.00 C ATOM 818 CE2 TYR A 57 117.962 26.750 1.394 1.00 0.00 C ATOM 819 CZ TYR A 57 117.935 28.076 0.950 1.00 0.00 C ATOM 820 OH TYR A 57 117.615 29.092 1.828 1.00 0.00 O ATOM 0 H TYR A 57 116.911 26.264 -3.079 1.00 0.00 H new ATOM 0 HA TYR A 57 118.050 23.524 -3.197 1.00 0.00 H new ATOM 0 HB2 TYR A 57 119.358 24.073 -1.233 1.00 0.00 H new ATOM 0 HB3 TYR A 57 119.703 25.257 -2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 57 118.784 27.573 -2.307 1.00 0.00 H new ATOM 0 HD2 TYR A 57 118.305 24.695 0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 57 118.209 29.398 -0.729 1.00 0.00 H new ATOM 0 HE2 TYR A 57 117.734 26.521 2.424 1.00 0.00 H new ATOM 0 HH TYR A 57 117.436 28.714 2.714 1.00 0.00 H new ATOM 830 N ASN A 58 116.532 22.651 -1.444 1.00 0.00 N ATOM 831 CA ASN A 58 115.519 22.089 -0.556 1.00 0.00 C ATOM 832 C ASN A 58 115.696 20.577 -0.465 1.00 0.00 C ATOM 833 O ASN A 58 115.542 19.867 -1.459 1.00 0.00 O ATOM 834 CB ASN A 58 114.116 22.410 -1.077 1.00 0.00 C ATOM 835 CG ASN A 58 113.965 21.915 -2.510 1.00 0.00 C ATOM 836 OD1 ASN A 58 113.550 20.779 -2.735 1.00 0.00 O ATOM 837 ND2 ASN A 58 114.280 22.705 -3.500 1.00 0.00 N ATOM 0 H ASN A 58 117.158 21.960 -1.856 1.00 0.00 H new ATOM 0 HA ASN A 58 115.638 22.531 0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 58 113.367 21.940 -0.440 1.00 0.00 H new ATOM 0 HB3 ASN A 58 113.941 23.485 -1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 58 114.182 22.381 -4.462 1.00 0.00 H new ATOM 0 HD22 ASN A 58 114.624 23.647 -3.312 1.00 0.00 H new ATOM 844 N LYS A 59 116.018 20.088 0.728 1.00 0.00 N ATOM 845 CA LYS A 59 116.281 18.664 0.908 1.00 0.00 C ATOM 846 C LYS A 59 115.040 17.932 1.409 1.00 0.00 C ATOM 847 O LYS A 59 114.409 18.348 2.381 1.00 0.00 O ATOM 848 CB LYS A 59 117.425 18.468 1.904 1.00 0.00 C ATOM 849 CG LYS A 59 118.711 19.061 1.327 1.00 0.00 C ATOM 850 CD LYS A 59 119.879 18.774 2.272 1.00 0.00 C ATOM 851 CE LYS A 59 121.139 19.470 1.753 1.00 0.00 C ATOM 852 NZ LYS A 59 122.149 19.548 2.846 1.00 0.00 N ATOM 0 H LYS A 59 116.103 20.649 1.576 1.00 0.00 H new ATOM 0 HA LYS A 59 116.559 18.248 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 59 117.183 18.950 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 59 117.563 17.407 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 59 118.912 18.633 0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 59 118.598 20.136 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 59 119.643 19.127 3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 59 120.047 17.699 2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 59 121.547 18.921 0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 59 120.894 20.471 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 123.006 20.021 2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 121.757 20.090 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 122.390 18.588 3.165 1.00 0.00 H new ATOM 866 N ASN A 60 114.699 16.840 0.732 1.00 0.00 N ATOM 867 CA ASN A 60 113.578 15.999 1.141 1.00 0.00 C ATOM 868 C ASN A 60 114.055 14.566 1.348 1.00 0.00 C ATOM 869 O ASN A 60 114.705 13.993 0.473 1.00 0.00 O ATOM 870 CB ASN A 60 112.488 16.027 0.067 1.00 0.00 C ATOM 871 CG ASN A 60 111.961 17.447 -0.110 1.00 0.00 C ATOM 872 OD1 ASN A 60 112.043 18.264 0.807 1.00 0.00 O ATOM 873 ND2 ASN A 60 111.420 17.793 -1.246 1.00 0.00 N ATOM 0 H ASN A 60 115.184 16.516 -0.105 1.00 0.00 H new ATOM 0 HA ASN A 60 113.170 16.381 2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 60 112.888 15.659 -0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 60 111.672 15.361 0.348 1.00 0.00 H new ATOM 0 HD21 ASN A 60 111.065 18.741 -1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 60 111.352 17.116 -2.006 1.00 0.00 H new ATOM 880 N GLN A 61 113.735 13.988 2.503 1.00 0.00 N ATOM 881 CA GLN A 61 114.187 12.632 2.812 1.00 0.00 C ATOM 882 C GLN A 61 113.056 11.819 3.424 1.00 0.00 C ATOM 883 O GLN A 61 112.222 12.369 4.140 1.00 0.00 O ATOM 884 CB GLN A 61 115.360 12.688 3.794 1.00 0.00 C ATOM 885 CG GLN A 61 116.545 13.395 3.133 1.00 0.00 C ATOM 886 CD GLN A 61 117.700 13.548 4.122 1.00 0.00 C ATOM 887 OE1 GLN A 61 117.505 13.450 5.335 1.00 0.00 O ATOM 888 NE2 GLN A 61 118.901 13.784 3.672 1.00 0.00 N ATOM 0 H GLN A 61 113.173 14.428 3.231 1.00 0.00 H new ATOM 0 HA GLN A 61 114.506 12.154 1.886 1.00 0.00 H new ATOM 0 HB2 GLN A 61 115.065 13.219 4.699 1.00 0.00 H new ATOM 0 HB3 GLN A 61 115.646 11.680 4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 61 116.876 12.826 2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 61 116.235 14.376 2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 61 119.063 13.865 2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 61 119.679 13.887 4.324 1.00 0.00 H new ATOM 897 N TYR A 62 113.025 10.517 3.137 1.00 0.00 N ATOM 898 CA TYR A 62 112.010 9.656 3.736 1.00 0.00 C ATOM 899 C TYR A 62 112.459 8.199 3.780 1.00 0.00 C ATOM 900 O TYR A 62 113.369 7.794 3.058 1.00 0.00 O ATOM 901 CB TYR A 62 110.688 9.783 2.973 1.00 0.00 C ATOM 902 CG TYR A 62 110.703 9.187 1.585 1.00 0.00 C ATOM 903 CD1 TYR A 62 111.096 9.969 0.492 1.00 0.00 C ATOM 904 CD2 TYR A 62 110.310 7.857 1.389 1.00 0.00 C ATOM 905 CE1 TYR A 62 111.095 9.421 -0.797 1.00 0.00 C ATOM 906 CE2 TYR A 62 110.311 7.309 0.101 1.00 0.00 C ATOM 907 CZ TYR A 62 110.703 8.091 -0.992 1.00 0.00 C ATOM 908 OH TYR A 62 110.702 7.551 -2.262 1.00 0.00 O ATOM 0 H TYR A 62 113.675 10.046 2.508 1.00 0.00 H new ATOM 0 HA TYR A 62 111.862 9.986 4.764 1.00 0.00 H new ATOM 0 HB2 TYR A 62 109.901 9.300 3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 62 110.427 10.839 2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 62 111.400 10.994 0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 62 110.006 7.254 2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 62 111.397 10.024 -1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 62 110.009 6.283 -0.050 1.00 0.00 H new ATOM 0 HH TYR A 62 110.405 6.618 -2.221 1.00 0.00 H new ATOM 918 N TYR A 63 111.805 7.423 4.638 1.00 0.00 N ATOM 919 CA TYR A 63 112.102 5.999 4.768 1.00 0.00 C ATOM 920 C TYR A 63 110.799 5.210 4.838 1.00 0.00 C ATOM 921 O TYR A 63 109.780 5.742 5.271 1.00 0.00 O ATOM 922 CB TYR A 63 112.952 5.752 6.019 1.00 0.00 C ATOM 923 CG TYR A 63 112.225 6.002 7.321 1.00 0.00 C ATOM 924 CD1 TYR A 63 112.168 7.297 7.854 1.00 0.00 C ATOM 925 CD2 TYR A 63 111.608 4.941 7.993 1.00 0.00 C ATOM 926 CE1 TYR A 63 111.494 7.528 9.059 1.00 0.00 C ATOM 927 CE2 TYR A 63 110.935 5.173 9.199 1.00 0.00 C ATOM 928 CZ TYR A 63 110.878 6.466 9.731 1.00 0.00 C ATOM 929 OH TYR A 63 110.213 6.695 10.919 1.00 0.00 O ATOM 0 H TYR A 63 111.064 7.756 5.255 1.00 0.00 H new ATOM 0 HA TYR A 63 112.668 5.666 3.898 1.00 0.00 H new ATOM 0 HB2 TYR A 63 113.307 4.721 6.006 1.00 0.00 H new ATOM 0 HB3 TYR A 63 113.833 6.393 5.979 1.00 0.00 H new ATOM 0 HD1 TYR A 63 112.644 8.116 7.335 1.00 0.00 H new ATOM 0 HD2 TYR A 63 111.651 3.943 7.582 1.00 0.00 H new ATOM 0 HE1 TYR A 63 111.449 8.526 9.470 1.00 0.00 H new ATOM 0 HE2 TYR A 63 110.460 4.354 9.718 1.00 0.00 H new ATOM 0 HH TYR A 63 109.842 5.852 11.254 1.00 0.00 H new ATOM 939 N GLY A 64 110.839 3.942 4.442 1.00 0.00 N ATOM 940 CA GLY A 64 109.617 3.148 4.326 1.00 0.00 C ATOM 941 C GLY A 64 109.798 1.739 4.881 1.00 0.00 C ATOM 942 O GLY A 64 110.834 1.111 4.665 1.00 0.00 O ATOM 0 H GLY A 64 111.695 3.444 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 64 108.808 3.647 4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 64 109.320 3.090 3.279 1.00 0.00 H new ATOM 946 N ILE A 65 108.797 1.265 5.622 1.00 0.00 N ATOM 947 CA ILE A 65 108.815 -0.096 6.151 1.00 0.00 C ATOM 948 C ILE A 65 107.663 -0.886 5.533 1.00 0.00 C ATOM 949 O ILE A 65 106.516 -0.441 5.573 1.00 0.00 O ATOM 950 CB ILE A 65 108.693 -0.062 7.680 1.00 0.00 C ATOM 951 CG1 ILE A 65 108.734 -1.486 8.241 1.00 0.00 C ATOM 952 CG2 ILE A 65 107.377 0.607 8.090 1.00 0.00 C ATOM 953 CD1 ILE A 65 108.982 -1.435 9.750 1.00 0.00 C ATOM 0 H ILE A 65 107.966 1.803 5.868 1.00 0.00 H new ATOM 0 HA ILE A 65 109.756 -0.582 5.895 1.00 0.00 H new ATOM 0 HB ILE A 65 109.529 0.510 8.083 1.00 0.00 H new ATOM 0 HG12 ILE A 65 107.794 -1.997 8.034 1.00 0.00 H new ATOM 0 HG13 ILE A 65 109.522 -2.058 7.752 1.00 0.00 H new ATOM 0 HG21 ILE A 65 107.301 0.625 9.177 1.00 0.00 H new ATOM 0 HG22 ILE A 65 107.353 1.627 7.707 1.00 0.00 H new ATOM 0 HG23 ILE A 65 106.539 0.045 7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 65 109.011 -2.449 10.148 1.00 0.00 H new ATOM 0 HD12 ILE A 65 109.934 -0.941 9.946 1.00 0.00 H new ATOM 0 HD13 ILE A 65 108.178 -0.879 10.232 1.00 0.00 H new ATOM 965 N THR A 66 107.976 -2.040 4.946 1.00 0.00 N ATOM 966 CA THR A 66 106.966 -2.841 4.254 1.00 0.00 C ATOM 967 C THR A 66 107.022 -4.305 4.685 1.00 0.00 C ATOM 968 O THR A 66 108.016 -4.766 5.246 1.00 0.00 O ATOM 969 CB THR A 66 107.182 -2.766 2.740 1.00 0.00 C ATOM 970 OG1 THR A 66 108.474 -3.267 2.424 1.00 0.00 O ATOM 971 CG2 THR A 66 107.062 -1.318 2.255 1.00 0.00 C ATOM 0 H THR A 66 108.914 -2.440 4.935 1.00 0.00 H new ATOM 0 HA THR A 66 105.990 -2.434 4.517 1.00 0.00 H new ATOM 0 HB THR A 66 106.420 -3.367 2.243 1.00 0.00 H new ATOM 0 HG1 THR A 66 108.614 -3.222 1.455 1.00 0.00 H new ATOM 0 HG21 THR A 66 107.218 -1.281 1.177 1.00 0.00 H new ATOM 0 HG22 THR A 66 106.069 -0.936 2.491 1.00 0.00 H new ATOM 0 HG23 THR A 66 107.814 -0.705 2.751 1.00 0.00 H new ATOM 979 N ALA A 67 105.937 -5.024 4.412 1.00 0.00 N ATOM 980 CA ALA A 67 105.886 -6.462 4.653 1.00 0.00 C ATOM 981 C ALA A 67 104.984 -7.118 3.613 1.00 0.00 C ATOM 982 O ALA A 67 104.032 -6.491 3.144 1.00 0.00 O ATOM 983 CB ALA A 67 105.345 -6.743 6.057 1.00 0.00 C ATOM 0 H ALA A 67 105.079 -4.633 4.023 1.00 0.00 H new ATOM 0 HA ALA A 67 106.892 -6.873 4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 67 105.312 -7.819 6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 67 105.997 -6.280 6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 67 104.341 -6.330 6.149 1.00 0.00 H new ATOM 989 N GLY A 68 105.299 -8.356 3.228 1.00 0.00 N ATOM 990 CA GLY A 68 104.499 -9.037 2.213 1.00 0.00 C ATOM 991 C GLY A 68 104.556 -10.568 2.341 1.00 0.00 C ATOM 992 O GLY A 68 105.635 -11.110 2.582 1.00 0.00 O ATOM 0 H GLY A 68 106.083 -8.896 3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 68 103.463 -8.708 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 68 104.851 -8.746 1.223 1.00 0.00 H new ATOM 996 N PRO A 69 103.451 -11.283 2.225 1.00 0.00 N ATOM 997 CA PRO A 69 103.487 -12.773 2.080 1.00 0.00 C ATOM 998 C PRO A 69 103.918 -13.190 0.671 1.00 0.00 C ATOM 999 O PRO A 69 103.856 -12.377 -0.255 1.00 0.00 O ATOM 1000 CB PRO A 69 102.053 -13.237 2.389 1.00 0.00 C ATOM 1001 CG PRO A 69 101.295 -12.023 2.808 1.00 0.00 C ATOM 1002 CD PRO A 69 102.053 -10.821 2.253 1.00 0.00 C ATOM 0 HA PRO A 69 104.215 -13.228 2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 69 101.596 -13.696 1.512 1.00 0.00 H new ATOM 0 HB3 PRO A 69 102.050 -13.988 3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.276 -12.050 2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 69 101.223 -11.967 3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 69 101.700 -10.548 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 69 101.933 -9.942 2.887 1.00 0.00 H new ATOM 1010 N ALA A 70 104.326 -14.454 0.499 1.00 0.00 N ATOM 1011 CA ALA A 70 104.711 -14.934 -0.827 1.00 0.00 C ATOM 1012 C ALA A 70 104.334 -16.403 -1.006 1.00 0.00 C ATOM 1013 O ALA A 70 104.345 -17.179 -0.050 1.00 0.00 O ATOM 1014 CB ALA A 70 106.216 -14.762 -1.039 1.00 0.00 C ATOM 0 H ALA A 70 104.396 -15.146 1.245 1.00 0.00 H new ATOM 0 HA ALA A 70 104.173 -14.342 -1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 70 106.487 -15.124 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 70 106.477 -13.707 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 70 106.757 -15.332 -0.284 1.00 0.00 H new ATOM 1020 N TYR A 71 104.002 -16.774 -2.240 1.00 0.00 N ATOM 1021 CA TYR A 71 103.593 -18.143 -2.548 1.00 0.00 C ATOM 1022 C TYR A 71 104.511 -18.729 -3.615 1.00 0.00 C ATOM 1023 O TYR A 71 104.764 -18.087 -4.634 1.00 0.00 O ATOM 1024 CB TYR A 71 102.145 -18.154 -3.043 1.00 0.00 C ATOM 1025 CG TYR A 71 101.534 -19.534 -3.086 1.00 0.00 C ATOM 1026 CD1 TYR A 71 101.015 -20.104 -1.916 1.00 0.00 C ATOM 1027 CD2 TYR A 71 101.480 -20.244 -4.291 1.00 0.00 C ATOM 1028 CE1 TYR A 71 100.444 -21.381 -1.951 1.00 0.00 C ATOM 1029 CE2 TYR A 71 100.909 -21.522 -4.325 1.00 0.00 C ATOM 1030 CZ TYR A 71 100.391 -22.091 -3.156 1.00 0.00 C ATOM 1031 OH TYR A 71 99.829 -23.350 -3.192 1.00 0.00 O ATOM 0 H TYR A 71 104.008 -16.146 -3.044 1.00 0.00 H new ATOM 0 HA TYR A 71 103.664 -18.749 -1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 71 101.543 -17.519 -2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 71 102.107 -17.717 -4.041 1.00 0.00 H new ATOM 0 HD1 TYR A 71 101.056 -19.557 -0.986 1.00 0.00 H new ATOM 0 HD2 TYR A 71 101.879 -19.806 -5.194 1.00 0.00 H new ATOM 0 HE1 TYR A 71 100.044 -21.819 -1.048 1.00 0.00 H new ATOM 0 HE2 TYR A 71 100.868 -22.070 -5.255 1.00 0.00 H new ATOM 0 HH TYR A 71 99.872 -23.701 -4.106 1.00 0.00 H new ATOM 1041 N ARG A 72 105.034 -19.928 -3.369 1.00 0.00 N ATOM 1042 CA ARG A 72 105.931 -20.568 -4.328 1.00 0.00 C ATOM 1043 C ARG A 72 105.190 -21.631 -5.134 1.00 0.00 C ATOM 1044 O ARG A 72 104.825 -22.681 -4.607 1.00 0.00 O ATOM 1045 CB ARG A 72 107.103 -21.215 -3.589 1.00 0.00 C ATOM 1046 CG ARG A 72 108.123 -21.736 -4.605 1.00 0.00 C ATOM 1047 CD ARG A 72 109.341 -22.301 -3.872 1.00 0.00 C ATOM 1048 NE ARG A 72 108.990 -23.541 -3.173 1.00 0.00 N ATOM 1049 CZ ARG A 72 108.555 -23.582 -1.905 1.00 0.00 C ATOM 1050 NH1 ARG A 72 108.374 -22.497 -1.191 1.00 0.00 N ATOM 1051 NH2 ARG A 72 108.291 -24.741 -1.367 1.00 0.00 N ATOM 0 H ARG A 72 104.855 -20.471 -2.524 1.00 0.00 H new ATOM 0 HA ARG A 72 106.304 -19.806 -5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 72 107.573 -20.489 -2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 72 106.745 -22.034 -2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 72 107.670 -22.509 -5.226 1.00 0.00 H new ATOM 0 HG3 ARG A 72 108.430 -20.930 -5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 72 110.144 -22.493 -4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 72 109.716 -21.568 -3.158 1.00 0.00 H new ATOM 0 HE ARG A 72 109.082 -24.422 -3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 72 108.565 -21.581 -1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 72 108.042 -22.569 -0.229 1.00 0.00 H new ATOM 0 HH21 ARG A 72 108.416 -25.596 -1.910 1.00 0.00 H new ATOM 0 HH22 ARG A 72 107.959 -24.792 -0.404 1.00 0.00 H new ATOM 1065 N ILE A 73 104.974 -21.351 -6.417 1.00 0.00 N ATOM 1066 CA ILE A 73 104.295 -22.296 -7.299 1.00 0.00 C ATOM 1067 C ILE A 73 104.984 -22.362 -8.663 1.00 0.00 C ATOM 1068 O ILE A 73 105.528 -21.368 -9.144 1.00 0.00 O ATOM 1069 CB ILE A 73 102.826 -21.883 -7.456 1.00 0.00 C ATOM 1070 CG1 ILE A 73 102.082 -22.912 -8.312 1.00 0.00 C ATOM 1071 CG2 ILE A 73 102.730 -20.504 -8.115 1.00 0.00 C ATOM 1072 CD1 ILE A 73 100.573 -22.716 -8.150 1.00 0.00 C ATOM 0 H ILE A 73 105.258 -20.481 -6.867 1.00 0.00 H new ATOM 0 HA ILE A 73 104.343 -23.290 -6.855 1.00 0.00 H new ATOM 0 HB ILE A 73 102.370 -21.838 -6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 73 102.363 -22.801 -9.359 1.00 0.00 H new ATOM 0 HG13 ILE A 73 102.363 -23.922 -8.012 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.682 -20.223 -8.220 1.00 0.00 H new ATOM 0 HG22 ILE A 73 103.242 -19.768 -7.495 1.00 0.00 H new ATOM 0 HG23 ILE A 73 103.197 -20.538 -9.099 1.00 0.00 H new ATOM 0 HD11 ILE A 73 100.043 -23.448 -8.759 1.00 0.00 H new ATOM 0 HD12 ILE A 73 100.299 -22.849 -7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 73 100.300 -21.711 -8.472 1.00 0.00 H new ATOM 1084 N ASN A 74 104.962 -23.546 -9.270 1.00 0.00 N ATOM 1085 CA ASN A 74 105.474 -23.724 -10.626 1.00 0.00 C ATOM 1086 C ASN A 74 106.962 -23.397 -10.725 1.00 0.00 C ATOM 1087 O ASN A 74 107.362 -22.236 -10.652 1.00 0.00 O ATOM 1088 CB ASN A 74 104.695 -22.835 -11.600 1.00 0.00 C ATOM 1089 CG ASN A 74 103.235 -23.276 -11.669 1.00 0.00 C ATOM 1090 OD1 ASN A 74 102.911 -24.421 -11.351 1.00 0.00 O ATOM 1091 ND2 ASN A 74 102.328 -22.428 -12.069 1.00 0.00 N ATOM 0 H ASN A 74 104.595 -24.397 -8.844 1.00 0.00 H new ATOM 0 HA ASN A 74 105.342 -24.774 -10.887 1.00 0.00 H new ATOM 0 HB2 ASN A 74 104.753 -21.795 -11.279 1.00 0.00 H new ATOM 0 HB3 ASN A 74 105.145 -22.888 -12.591 1.00 0.00 H new ATOM 0 HD21 ASN A 74 101.350 -22.713 -12.119 1.00 0.00 H new ATOM 0 HD22 ASN A 74 102.597 -21.480 -12.332 1.00 0.00 H new ATOM 1098 N ASP A 75 107.773 -24.438 -10.896 1.00 0.00 N ATOM 1099 CA ASP A 75 109.202 -24.264 -11.135 1.00 0.00 C ATOM 1100 C ASP A 75 109.865 -23.461 -10.016 1.00 0.00 C ATOM 1101 O ASP A 75 110.672 -22.563 -10.263 1.00 0.00 O ATOM 1102 CB ASP A 75 109.412 -23.568 -12.485 1.00 0.00 C ATOM 1103 CG ASP A 75 108.878 -24.437 -13.623 1.00 0.00 C ATOM 1104 OD1 ASP A 75 108.922 -25.649 -13.495 1.00 0.00 O ATOM 1105 OD2 ASP A 75 108.432 -23.872 -14.608 1.00 0.00 O ATOM 0 H ASP A 75 107.465 -25.410 -10.873 1.00 0.00 H new ATOM 0 HA ASP A 75 109.670 -25.248 -11.153 1.00 0.00 H new ATOM 0 HB2 ASP A 75 108.904 -22.604 -12.487 1.00 0.00 H new ATOM 0 HB3 ASP A 75 110.473 -23.370 -12.638 1.00 0.00 H new ATOM 1110 N TRP A 76 109.527 -23.796 -8.774 1.00 0.00 N ATOM 1111 CA TRP A 76 110.138 -23.147 -7.612 1.00 0.00 C ATOM 1112 C TRP A 76 110.165 -21.618 -7.728 1.00 0.00 C ATOM 1113 O TRP A 76 110.993 -20.963 -7.097 1.00 0.00 O ATOM 1114 CB TRP A 76 111.567 -23.661 -7.436 1.00 0.00 C ATOM 1115 CG TRP A 76 111.639 -25.109 -7.064 1.00 0.00 C ATOM 1116 CD1 TRP A 76 111.854 -26.124 -7.932 1.00 0.00 C ATOM 1117 CD2 TRP A 76 111.505 -25.718 -5.746 1.00 0.00 C ATOM 1118 NE1 TRP A 76 111.857 -27.317 -7.233 1.00 0.00 N ATOM 1119 CE2 TRP A 76 111.647 -27.120 -5.883 1.00 0.00 C ATOM 1120 CE3 TRP A 76 111.276 -25.198 -4.461 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 111.564 -27.975 -4.780 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 111.193 -26.052 -3.352 1.00 0.00 C ATOM 1123 CH2 TRP A 76 111.336 -27.437 -3.510 1.00 0.00 C ATOM 0 H TRP A 76 108.836 -24.510 -8.544 1.00 0.00 H new ATOM 0 HA TRP A 76 109.524 -23.397 -6.747 1.00 0.00 H new ATOM 0 HB2 TRP A 76 112.118 -23.504 -8.363 1.00 0.00 H new ATOM 0 HB3 TRP A 76 112.065 -23.071 -6.666 1.00 0.00 H new ATOM 0 HD1 TRP A 76 112.000 -26.020 -8.997 1.00 0.00 H new ATOM 0 HE1 TRP A 76 111.997 -28.231 -7.663 1.00 0.00 H new ATOM 0 HE3 TRP A 76 111.163 -24.132 -4.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 111.675 -29.042 -4.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 111.018 -25.640 -2.369 1.00 0.00 H new ATOM 0 HH2 TRP A 76 111.270 -28.088 -2.651 1.00 0.00 H new ATOM 1134 N ALA A 77 109.267 -21.053 -8.532 1.00 0.00 N ATOM 1135 CA ALA A 77 109.184 -19.603 -8.669 1.00 0.00 C ATOM 1136 C ALA A 77 108.176 -19.050 -7.670 1.00 0.00 C ATOM 1137 O ALA A 77 107.126 -19.651 -7.446 1.00 0.00 O ATOM 1138 CB ALA A 77 108.757 -19.233 -10.092 1.00 0.00 C ATOM 0 H ALA A 77 108.593 -21.573 -9.094 1.00 0.00 H new ATOM 0 HA ALA A 77 110.165 -19.171 -8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 77 108.698 -18.148 -10.184 1.00 0.00 H new ATOM 0 HB2 ALA A 77 109.488 -19.618 -10.803 1.00 0.00 H new ATOM 0 HB3 ALA A 77 107.781 -19.669 -10.304 1.00 0.00 H new ATOM 1144 N SER A 78 108.490 -17.905 -7.070 1.00 0.00 N ATOM 1145 CA SER A 78 107.635 -17.338 -6.029 1.00 0.00 C ATOM 1146 C SER A 78 107.214 -15.919 -6.383 1.00 0.00 C ATOM 1147 O SER A 78 107.967 -15.172 -7.009 1.00 0.00 O ATOM 1148 CB SER A 78 108.386 -17.325 -4.697 1.00 0.00 C ATOM 1149 OG SER A 78 108.771 -18.652 -4.365 1.00 0.00 O ATOM 0 H SER A 78 109.322 -17.355 -7.283 1.00 0.00 H new ATOM 0 HA SER A 78 106.741 -17.956 -5.946 1.00 0.00 H new ATOM 0 HB2 SER A 78 109.266 -16.685 -4.768 1.00 0.00 H new ATOM 0 HB3 SER A 78 107.753 -16.910 -3.913 1.00 0.00 H new ATOM 0 HG SER A 78 109.254 -18.649 -3.513 1.00 0.00 H new ATOM 1155 N ILE A 79 106.001 -15.553 -5.979 1.00 0.00 N ATOM 1156 CA ILE A 79 105.511 -14.193 -6.176 1.00 0.00 C ATOM 1157 C ILE A 79 105.079 -13.635 -4.828 1.00 0.00 C ATOM 1158 O ILE A 79 104.667 -14.395 -3.952 1.00 0.00 O ATOM 1159 CB ILE A 79 104.326 -14.183 -7.149 1.00 0.00 C ATOM 1160 CG1 ILE A 79 104.731 -14.845 -8.474 1.00 0.00 C ATOM 1161 CG2 ILE A 79 103.898 -12.735 -7.411 1.00 0.00 C ATOM 1162 CD1 ILE A 79 104.490 -16.354 -8.396 1.00 0.00 C ATOM 0 H ILE A 79 105.341 -16.177 -5.515 1.00 0.00 H new ATOM 0 HA ILE A 79 106.304 -13.578 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 79 103.496 -14.739 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 79 104.155 -14.418 -9.295 1.00 0.00 H new ATOM 0 HG13 ILE A 79 105.782 -14.646 -8.684 1.00 0.00 H new ATOM 0 HG21 ILE A 79 103.056 -12.724 -8.103 1.00 0.00 H new ATOM 0 HG22 ILE A 79 103.603 -12.267 -6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 79 104.731 -12.182 -7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 79 104.779 -16.818 -9.339 1.00 0.00 H new ATOM 0 HD12 ILE A 79 105.085 -16.776 -7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 79 103.434 -16.544 -8.207 1.00 0.00 H new ATOM 1174 N TYR A 80 105.156 -12.318 -4.668 1.00 0.00 N ATOM 1175 CA TYR A 80 104.814 -11.707 -3.390 1.00 0.00 C ATOM 1176 C TYR A 80 104.174 -10.341 -3.587 1.00 0.00 C ATOM 1177 O TYR A 80 104.356 -9.703 -4.623 1.00 0.00 O ATOM 1178 CB TYR A 80 106.071 -11.579 -2.525 1.00 0.00 C ATOM 1179 CG TYR A 80 107.085 -10.585 -3.047 1.00 0.00 C ATOM 1180 CD1 TYR A 80 107.020 -9.245 -2.645 1.00 0.00 C ATOM 1181 CD2 TYR A 80 108.086 -11.003 -3.933 1.00 0.00 C ATOM 1182 CE1 TYR A 80 107.958 -8.324 -3.128 1.00 0.00 C ATOM 1183 CE2 TYR A 80 109.023 -10.082 -4.415 1.00 0.00 C ATOM 1184 CZ TYR A 80 108.959 -8.743 -4.013 1.00 0.00 C ATOM 1185 OH TYR A 80 109.882 -7.835 -4.489 1.00 0.00 O ATOM 0 H TYR A 80 105.447 -11.663 -5.394 1.00 0.00 H new ATOM 0 HA TYR A 80 104.090 -12.348 -2.887 1.00 0.00 H new ATOM 0 HB2 TYR A 80 105.777 -11.285 -1.517 1.00 0.00 H new ATOM 0 HB3 TYR A 80 106.545 -12.557 -2.446 1.00 0.00 H new ATOM 0 HD1 TYR A 80 106.247 -8.922 -1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 80 108.135 -12.036 -4.244 1.00 0.00 H new ATOM 0 HE1 TYR A 80 107.909 -7.291 -2.818 1.00 0.00 H new ATOM 0 HE2 TYR A 80 109.796 -10.405 -5.097 1.00 0.00 H new ATOM 0 HH TYR A 80 110.507 -8.289 -5.091 1.00 0.00 H new ATOM 1195 N GLY A 81 103.446 -9.894 -2.570 1.00 0.00 N ATOM 1196 CA GLY A 81 102.885 -8.546 -2.580 1.00 0.00 C ATOM 1197 C GLY A 81 103.160 -7.871 -1.245 1.00 0.00 C ATOM 1198 O GLY A 81 103.122 -8.520 -0.202 1.00 0.00 O ATOM 0 H GLY A 81 103.231 -10.439 -1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 81 103.324 -7.964 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 81 101.811 -8.589 -2.763 1.00 0.00 H new ATOM 1202 N VAL A 82 103.385 -6.562 -1.274 1.00 0.00 N ATOM 1203 CA VAL A 82 103.806 -5.844 -0.074 1.00 0.00 C ATOM 1204 C VAL A 82 103.055 -4.529 0.079 1.00 0.00 C ATOM 1205 O VAL A 82 102.655 -3.910 -0.908 1.00 0.00 O ATOM 1206 CB VAL A 82 105.309 -5.540 -0.126 1.00 0.00 C ATOM 1207 CG1 VAL A 82 106.117 -6.840 -0.113 1.00 0.00 C ATOM 1208 CG2 VAL A 82 105.633 -4.756 -1.401 1.00 0.00 C ATOM 0 H VAL A 82 103.285 -5.980 -2.106 1.00 0.00 H new ATOM 0 HA VAL A 82 103.583 -6.487 0.777 1.00 0.00 H new ATOM 0 HB VAL A 82 105.575 -4.947 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 82 107.181 -6.607 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 82 105.899 -7.395 0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 82 105.847 -7.445 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 82 106.701 -4.542 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 82 105.354 -5.348 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 82 105.075 -3.820 -1.404 1.00 0.00 H new ATOM 1218 N VAL A 83 102.877 -4.126 1.331 1.00 0.00 N ATOM 1219 CA VAL A 83 102.354 -2.805 1.651 1.00 0.00 C ATOM 1220 C VAL A 83 103.181 -2.234 2.794 1.00 0.00 C ATOM 1221 O VAL A 83 103.763 -3.001 3.563 1.00 0.00 O ATOM 1222 CB VAL A 83 100.881 -2.896 2.062 1.00 0.00 C ATOM 1223 CG1 VAL A 83 100.333 -1.491 2.321 1.00 0.00 C ATOM 1224 CG2 VAL A 83 100.073 -3.552 0.938 1.00 0.00 C ATOM 0 H VAL A 83 103.089 -4.701 2.147 1.00 0.00 H new ATOM 0 HA VAL A 83 102.419 -2.158 0.776 1.00 0.00 H new ATOM 0 HB VAL A 83 100.798 -3.494 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 83 99.285 -1.557 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 83 100.904 -1.020 3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 83 100.419 -0.894 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 83 99.025 -3.616 1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 83 100.159 -2.954 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 83 100.459 -4.554 0.750 1.00 0.00 H new ATOM 1234 N GLY A 84 103.258 -0.908 2.899 1.00 0.00 N ATOM 1235 CA GLY A 84 104.040 -0.302 3.972 1.00 0.00 C ATOM 1236 C GLY A 84 103.743 1.182 4.120 1.00 0.00 C ATOM 1237 O GLY A 84 102.925 1.742 3.391 1.00 0.00 O ATOM 0 H GLY A 84 102.800 -0.248 2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 84 103.824 -0.811 4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 84 105.102 -0.442 3.771 1.00 0.00 H new ATOM 1241 N VAL A 85 104.457 1.815 5.045 1.00 0.00 N ATOM 1242 CA VAL A 85 104.240 3.224 5.353 1.00 0.00 C ATOM 1243 C VAL A 85 105.553 3.979 5.211 1.00 0.00 C ATOM 1244 O VAL A 85 106.602 3.488 5.625 1.00 0.00 O ATOM 1245 CB VAL A 85 103.699 3.382 6.779 1.00 0.00 C ATOM 1246 CG1 VAL A 85 103.389 4.856 7.054 1.00 0.00 C ATOM 1247 CG2 VAL A 85 102.414 2.565 6.938 1.00 0.00 C ATOM 0 H VAL A 85 105.193 1.373 5.596 1.00 0.00 H new ATOM 0 HA VAL A 85 103.507 3.632 4.657 1.00 0.00 H new ATOM 0 HB VAL A 85 104.450 3.026 7.484 1.00 0.00 H new ATOM 0 HG11 VAL A 85 103.005 4.964 8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 85 104.299 5.446 6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 85 102.642 5.209 6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 85 102.033 2.680 7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 85 101.667 2.919 6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 85 102.626 1.513 6.747 1.00 0.00 H new ATOM 1257 N GLY A 86 105.494 5.160 4.605 1.00 0.00 N ATOM 1258 CA GLY A 86 106.690 5.973 4.405 1.00 0.00 C ATOM 1259 C GLY A 86 106.539 7.320 5.097 1.00 0.00 C ATOM 1260 O GLY A 86 105.494 7.956 4.990 1.00 0.00 O ATOM 0 H GLY A 86 104.635 5.575 4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 86 107.562 5.451 4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 86 106.862 6.122 3.339 1.00 0.00 H new ATOM 1264 N TYR A 87 107.583 7.742 5.805 1.00 0.00 N ATOM 1265 CA TYR A 87 107.566 9.022 6.508 1.00 0.00 C ATOM 1266 C TYR A 87 108.681 9.911 5.975 1.00 0.00 C ATOM 1267 O TYR A 87 109.817 9.460 5.831 1.00 0.00 O ATOM 1268 CB TYR A 87 107.759 8.799 8.009 1.00 0.00 C ATOM 1269 CG TYR A 87 106.697 7.922 8.627 1.00 0.00 C ATOM 1270 CD1 TYR A 87 105.457 8.468 8.982 1.00 0.00 C ATOM 1271 CD2 TYR A 87 106.951 6.563 8.844 1.00 0.00 C ATOM 1272 CE1 TYR A 87 104.472 7.655 9.555 1.00 0.00 C ATOM 1273 CE2 TYR A 87 105.965 5.749 9.416 1.00 0.00 C ATOM 1274 CZ TYR A 87 104.726 6.296 9.772 1.00 0.00 C ATOM 1275 OH TYR A 87 103.755 5.493 10.335 1.00 0.00 O ATOM 0 H TYR A 87 108.451 7.217 5.907 1.00 0.00 H new ATOM 0 HA TYR A 87 106.604 9.507 6.342 1.00 0.00 H new ATOM 0 HB2 TYR A 87 108.736 8.347 8.179 1.00 0.00 H new ATOM 0 HB3 TYR A 87 107.762 9.765 8.515 1.00 0.00 H new ATOM 0 HD1 TYR A 87 105.261 9.517 8.814 1.00 0.00 H new ATOM 0 HD2 TYR A 87 107.907 6.142 8.570 1.00 0.00 H new ATOM 0 HE1 TYR A 87 103.516 8.076 9.830 1.00 0.00 H new ATOM 0 HE2 TYR A 87 106.160 4.700 9.582 1.00 0.00 H new ATOM 0 HH TYR A 87 104.094 4.577 10.415 1.00 0.00 H new ATOM 1285 N GLY A 88 108.355 11.167 5.688 1.00 0.00 N ATOM 1286 CA GLY A 88 109.320 12.073 5.077 1.00 0.00 C ATOM 1287 C GLY A 88 109.213 13.481 5.649 1.00 0.00 C ATOM 1288 O GLY A 88 108.195 13.854 6.236 1.00 0.00 O ATOM 0 H GLY A 88 107.439 11.578 5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 88 110.329 11.691 5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 88 109.158 12.105 4.000 1.00 0.00 H new ATOM 1292 N LYS A 89 110.283 14.252 5.473 1.00 0.00 N ATOM 1293 CA LYS A 89 110.330 15.627 5.955 1.00 0.00 C ATOM 1294 C LYS A 89 110.899 16.554 4.880 1.00 0.00 C ATOM 1295 O LYS A 89 111.822 16.176 4.155 1.00 0.00 O ATOM 1296 CB LYS A 89 111.155 15.698 7.249 1.00 0.00 C ATOM 1297 CG LYS A 89 112.633 15.388 6.978 1.00 0.00 C ATOM 1298 CD LYS A 89 113.399 15.344 8.301 1.00 0.00 C ATOM 1299 CE LYS A 89 114.904 15.346 8.022 1.00 0.00 C ATOM 1300 NZ LYS A 89 115.628 15.884 9.208 1.00 0.00 N ATOM 0 H LYS A 89 111.132 13.945 4.998 1.00 0.00 H new ATOM 0 HA LYS A 89 109.317 15.963 6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 89 111.063 16.691 7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 89 110.759 14.989 7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 89 112.726 14.433 6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 89 113.060 16.148 6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 89 113.132 16.203 8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 89 113.124 14.451 8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 89 115.245 14.334 7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 89 115.121 15.954 7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 116.651 15.886 9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 115.309 16.856 9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 115.430 15.287 10.036 1.00 0.00 H new ATOM 1314 N PHE A 90 110.324 17.749 4.780 1.00 0.00 N ATOM 1315 CA PHE A 90 110.776 18.742 3.811 1.00 0.00 C ATOM 1316 C PHE A 90 111.482 19.888 4.528 1.00 0.00 C ATOM 1317 O PHE A 90 111.064 20.300 5.610 1.00 0.00 O ATOM 1318 CB PHE A 90 109.577 19.292 3.036 1.00 0.00 C ATOM 1319 CG PHE A 90 108.822 18.235 2.264 1.00 0.00 C ATOM 1320 CD1 PHE A 90 107.800 17.508 2.888 1.00 0.00 C ATOM 1321 CD2 PHE A 90 109.140 17.986 0.924 1.00 0.00 C ATOM 1322 CE1 PHE A 90 107.099 16.532 2.171 1.00 0.00 C ATOM 1323 CE2 PHE A 90 108.439 17.009 0.208 1.00 0.00 C ATOM 1324 CZ PHE A 90 107.418 16.281 0.832 1.00 0.00 C ATOM 0 H PHE A 90 109.542 18.054 5.360 1.00 0.00 H new ATOM 0 HA PHE A 90 111.471 18.267 3.119 1.00 0.00 H new ATOM 0 HB2 PHE A 90 108.895 19.777 3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 90 109.923 20.059 2.343 1.00 0.00 H new ATOM 0 HD1 PHE A 90 107.553 17.701 3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 90 109.927 18.548 0.442 1.00 0.00 H new ATOM 0 HE1 PHE A 90 106.311 15.972 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 90 108.685 16.816 -0.826 1.00 0.00 H new ATOM 0 HZ PHE A 90 106.877 15.526 0.280 1.00 0.00 H new ATOM 1334 N GLN A 91 112.553 20.402 3.928 1.00 0.00 N ATOM 1335 CA GLN A 91 113.323 21.475 4.552 1.00 0.00 C ATOM 1336 C GLN A 91 113.004 22.828 3.923 1.00 0.00 C ATOM 1337 O GLN A 91 113.200 23.035 2.726 1.00 0.00 O ATOM 1338 CB GLN A 91 114.821 21.187 4.410 1.00 0.00 C ATOM 1339 CG GLN A 91 115.172 19.846 5.065 1.00 0.00 C ATOM 1340 CD GLN A 91 114.804 19.849 6.546 1.00 0.00 C ATOM 1341 OE1 GLN A 91 115.161 20.775 7.274 1.00 0.00 O ATOM 1342 NE2 GLN A 91 114.106 18.861 7.038 1.00 0.00 N ATOM 0 H GLN A 91 112.905 20.097 3.020 1.00 0.00 H new ATOM 0 HA GLN A 91 113.050 21.516 5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 91 115.095 21.167 3.355 1.00 0.00 H new ATOM 0 HB3 GLN A 91 115.397 21.987 4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 91 114.644 19.039 4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 91 116.238 19.650 4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 91 113.811 18.094 6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 91 113.856 18.856 8.027 1.00 0.00 H new ATOM 1351 N THR A 92 112.512 23.744 4.751 1.00 0.00 N ATOM 1352 CA THR A 92 112.262 25.117 4.324 1.00 0.00 C ATOM 1353 C THR A 92 112.760 26.078 5.398 1.00 0.00 C ATOM 1354 O THR A 92 113.085 25.648 6.505 1.00 0.00 O ATOM 1355 CB THR A 92 110.764 25.340 4.088 1.00 0.00 C ATOM 1356 OG1 THR A 92 110.066 25.178 5.314 1.00 0.00 O ATOM 1357 CG2 THR A 92 110.243 24.331 3.062 1.00 0.00 C ATOM 0 H THR A 92 112.277 23.559 5.726 1.00 0.00 H new ATOM 0 HA THR A 92 112.793 25.300 3.390 1.00 0.00 H new ATOM 0 HB THR A 92 110.604 26.349 3.707 1.00 0.00 H new ATOM 0 HG1 THR A 92 109.108 25.322 5.166 1.00 0.00 H new ATOM 0 HG21 THR A 92 109.178 24.495 2.899 1.00 0.00 H new ATOM 0 HG22 THR A 92 110.778 24.459 2.121 1.00 0.00 H new ATOM 0 HG23 THR A 92 110.401 23.319 3.434 1.00 0.00 H new ATOM 1365 N THR A 93 112.824 27.372 5.080 1.00 0.00 N ATOM 1366 CA THR A 93 113.259 28.355 6.069 1.00 0.00 C ATOM 1367 C THR A 93 112.053 29.045 6.698 1.00 0.00 C ATOM 1368 O THR A 93 111.244 29.656 6.000 1.00 0.00 O ATOM 1369 CB THR A 93 114.156 29.402 5.404 1.00 0.00 C ATOM 1370 OG1 THR A 93 115.219 28.749 4.725 1.00 0.00 O ATOM 1371 CG2 THR A 93 114.729 30.338 6.469 1.00 0.00 C ATOM 0 H THR A 93 112.586 27.756 4.166 1.00 0.00 H new ATOM 0 HA THR A 93 113.819 27.838 6.848 1.00 0.00 H new ATOM 0 HB THR A 93 113.570 29.982 4.691 1.00 0.00 H new ATOM 0 HG1 THR A 93 115.794 29.418 4.297 1.00 0.00 H new ATOM 0 HG21 THR A 93 115.367 31.083 5.994 1.00 0.00 H new ATOM 0 HG22 THR A 93 113.913 30.839 6.990 1.00 0.00 H new ATOM 0 HG23 THR A 93 115.315 29.760 7.184 1.00 0.00 H new ATOM 1379 N GLU A 94 112.005 28.996 8.027 1.00 0.00 N ATOM 1380 CA GLU A 94 110.895 29.537 8.809 1.00 0.00 C ATOM 1381 C GLU A 94 111.114 29.166 10.273 1.00 0.00 C ATOM 1382 O GLU A 94 111.702 28.119 10.552 1.00 0.00 O ATOM 1383 CB GLU A 94 109.557 28.944 8.345 1.00 0.00 C ATOM 1384 CG GLU A 94 108.393 29.662 9.044 1.00 0.00 C ATOM 1385 CD GLU A 94 107.037 29.055 8.666 1.00 0.00 C ATOM 1386 OE1 GLU A 94 107.000 28.090 7.917 1.00 0.00 O ATOM 1387 OE2 GLU A 94 106.041 29.574 9.141 1.00 0.00 O ATOM 0 H GLU A 94 112.740 28.577 8.596 1.00 0.00 H new ATOM 0 HA GLU A 94 110.861 30.618 8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 94 109.461 29.045 7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 94 109.525 27.878 8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 94 108.528 29.605 10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 94 108.405 30.719 8.776 1.00 0.00 H new ATOM 1394 N TYR A 95 110.656 30.006 11.202 1.00 0.00 N ATOM 1395 CA TYR A 95 110.699 29.628 12.611 1.00 0.00 C ATOM 1396 C TYR A 95 109.499 28.718 12.902 1.00 0.00 C ATOM 1397 O TYR A 95 108.364 29.192 12.819 1.00 0.00 O ATOM 1398 CB TYR A 95 110.604 30.882 13.482 1.00 0.00 C ATOM 1399 CG TYR A 95 111.909 31.632 13.603 1.00 0.00 C ATOM 1400 CD1 TYR A 95 113.004 31.036 14.238 1.00 0.00 C ATOM 1401 CD2 TYR A 95 112.024 32.926 13.079 1.00 0.00 C ATOM 1402 CE1 TYR A 95 114.215 31.731 14.351 1.00 0.00 C ATOM 1403 CE2 TYR A 95 113.234 33.622 13.192 1.00 0.00 C ATOM 1404 CZ TYR A 95 114.329 33.024 13.827 1.00 0.00 C ATOM 1405 OH TYR A 95 115.520 33.711 13.939 1.00 0.00 O ATOM 0 H TYR A 95 110.262 30.927 11.011 1.00 0.00 H new ATOM 0 HA TYR A 95 111.632 29.110 12.831 1.00 0.00 H new ATOM 0 HB2 TYR A 95 109.849 31.548 13.065 1.00 0.00 H new ATOM 0 HB3 TYR A 95 110.264 30.598 14.478 1.00 0.00 H new ATOM 0 HD1 TYR A 95 112.915 30.038 14.642 1.00 0.00 H new ATOM 0 HD2 TYR A 95 111.180 33.387 12.588 1.00 0.00 H new ATOM 0 HE1 TYR A 95 115.059 31.270 14.842 1.00 0.00 H new ATOM 0 HE2 TYR A 95 113.322 34.620 12.789 1.00 0.00 H new ATOM 0 HH TYR A 95 115.429 34.593 13.522 1.00 0.00 H new ATOM 1415 N PRO A 96 109.687 27.454 13.237 1.00 0.00 N ATOM 1416 CA PRO A 96 108.529 26.523 13.418 1.00 0.00 C ATOM 1417 C PRO A 96 107.758 26.757 14.713 1.00 0.00 C ATOM 1418 O PRO A 96 108.352 26.919 15.779 1.00 0.00 O ATOM 1419 CB PRO A 96 109.166 25.134 13.414 1.00 0.00 C ATOM 1420 CG PRO A 96 110.547 25.342 13.930 1.00 0.00 C ATOM 1421 CD PRO A 96 110.960 26.752 13.506 1.00 0.00 C ATOM 0 HA PRO A 96 107.787 26.668 12.632 1.00 0.00 H new ATOM 0 HB2 PRO A 96 108.609 24.442 14.046 1.00 0.00 H new ATOM 0 HB3 PRO A 96 109.179 24.709 12.410 1.00 0.00 H new ATOM 0 HG2 PRO A 96 110.576 25.239 15.015 1.00 0.00 H new ATOM 0 HG3 PRO A 96 111.230 24.598 13.521 1.00 0.00 H new ATOM 0 HD2 PRO A 96 111.528 27.251 14.291 1.00 0.00 H new ATOM 0 HD3 PRO A 96 111.594 26.729 12.620 1.00 0.00 H new ATOM 1429 N THR A 97 106.431 26.773 14.614 1.00 0.00 N ATOM 1430 CA THR A 97 105.582 26.659 15.796 1.00 0.00 C ATOM 1431 C THR A 97 104.731 25.400 15.668 1.00 0.00 C ATOM 1432 O THR A 97 103.963 25.266 14.715 1.00 0.00 O ATOM 1433 CB THR A 97 104.674 27.885 15.913 1.00 0.00 C ATOM 1434 OG1 THR A 97 105.468 29.062 15.909 1.00 0.00 O ATOM 1435 CG2 THR A 97 103.877 27.809 17.218 1.00 0.00 C ATOM 0 H THR A 97 105.924 26.863 13.734 1.00 0.00 H new ATOM 0 HA THR A 97 106.205 26.600 16.689 1.00 0.00 H new ATOM 0 HB THR A 97 103.984 27.909 15.069 1.00 0.00 H new ATOM 0 HG1 THR A 97 104.888 29.848 15.982 1.00 0.00 H new ATOM 0 HG21 THR A 97 103.230 28.683 17.301 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.268 26.905 17.220 1.00 0.00 H new ATOM 0 HG23 THR A 97 104.565 27.785 18.063 1.00 0.00 H new ATOM 1443 N TYR A 98 104.864 24.481 16.621 1.00 0.00 N ATOM 1444 CA TYR A 98 104.083 23.250 16.581 1.00 0.00 C ATOM 1445 C TYR A 98 104.044 22.579 17.950 1.00 0.00 C ATOM 1446 O TYR A 98 104.864 22.873 18.820 1.00 0.00 O ATOM 1447 CB TYR A 98 104.678 22.288 15.553 1.00 0.00 C ATOM 1448 CG TYR A 98 103.703 21.233 15.087 1.00 0.00 C ATOM 1449 CD1 TYR A 98 102.849 21.500 14.010 1.00 0.00 C ATOM 1450 CD2 TYR A 98 103.650 19.991 15.731 1.00 0.00 C ATOM 1451 CE1 TYR A 98 101.942 20.526 13.577 1.00 0.00 C ATOM 1452 CE2 TYR A 98 102.743 19.017 15.297 1.00 0.00 C ATOM 1453 CZ TYR A 98 101.889 19.284 14.221 1.00 0.00 C ATOM 1454 OH TYR A 98 100.996 18.323 13.794 1.00 0.00 O ATOM 0 H TYR A 98 105.495 24.563 17.418 1.00 0.00 H new ATOM 0 HA TYR A 98 103.063 23.506 16.295 1.00 0.00 H new ATOM 0 HB2 TYR A 98 105.025 22.858 14.691 1.00 0.00 H new ATOM 0 HB3 TYR A 98 105.551 21.800 15.985 1.00 0.00 H new ATOM 0 HD1 TYR A 98 102.890 22.458 13.513 1.00 0.00 H new ATOM 0 HD2 TYR A 98 104.308 19.785 16.562 1.00 0.00 H new ATOM 0 HE1 TYR A 98 101.283 20.732 12.746 1.00 0.00 H new ATOM 0 HE2 TYR A 98 102.702 18.059 15.793 1.00 0.00 H new ATOM 0 HH TYR A 98 100.837 18.429 12.833 1.00 0.00 H new ATOM 1464 N LYS A 99 103.085 21.677 18.134 1.00 0.00 N ATOM 1465 CA LYS A 99 103.038 20.852 19.340 1.00 0.00 C ATOM 1466 C LYS A 99 103.381 19.410 18.982 1.00 0.00 C ATOM 1467 O LYS A 99 102.703 18.795 18.161 1.00 0.00 O ATOM 1468 CB LYS A 99 101.640 20.904 19.964 1.00 0.00 C ATOM 1469 CG LYS A 99 101.240 22.355 20.249 1.00 0.00 C ATOM 1470 CD LYS A 99 102.183 22.960 21.292 1.00 0.00 C ATOM 1471 CE LYS A 99 101.669 24.340 21.706 1.00 0.00 C ATOM 1472 NZ LYS A 99 101.977 25.328 20.635 1.00 0.00 N ATOM 0 H LYS A 99 102.333 21.498 17.468 1.00 0.00 H new ATOM 0 HA LYS A 99 103.761 21.235 20.060 1.00 0.00 H new ATOM 0 HB2 LYS A 99 100.916 20.445 19.290 1.00 0.00 H new ATOM 0 HB3 LYS A 99 101.625 20.327 20.889 1.00 0.00 H new ATOM 0 HG2 LYS A 99 101.278 22.939 19.330 1.00 0.00 H new ATOM 0 HG3 LYS A 99 100.212 22.394 20.609 1.00 0.00 H new ATOM 0 HD2 LYS A 99 102.246 22.307 22.163 1.00 0.00 H new ATOM 0 HD3 LYS A 99 103.190 23.043 20.883 1.00 0.00 H new ATOM 0 HE2 LYS A 99 100.594 24.302 21.881 1.00 0.00 H new ATOM 0 HE3 LYS A 99 102.134 24.647 22.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 101.627 26.266 20.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 103.006 25.372 20.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 101.513 25.037 19.751 1.00 0.00 H new ATOM 1486 N HIS A 100 104.423 18.875 19.617 1.00 0.00 N ATOM 1487 CA HIS A 100 104.880 17.517 19.330 1.00 0.00 C ATOM 1488 C HIS A 100 105.331 17.394 17.876 1.00 0.00 C ATOM 1489 O HIS A 100 104.546 17.603 16.951 1.00 0.00 O ATOM 1490 CB HIS A 100 103.764 16.508 19.610 1.00 0.00 C ATOM 1491 CG HIS A 100 103.142 16.664 20.972 1.00 0.00 C ATOM 1492 ND1 HIS A 100 103.823 16.348 22.135 1.00 0.00 N ATOM 1493 CD2 HIS A 100 101.903 17.106 21.370 1.00 0.00 C ATOM 1494 CE1 HIS A 100 103.000 16.599 23.168 1.00 0.00 C ATOM 1495 NE2 HIS A 100 101.817 17.064 22.760 1.00 0.00 N ATOM 0 H HIS A 100 104.965 19.360 20.332 1.00 0.00 H new ATOM 0 HA HIS A 100 105.728 17.302 19.980 1.00 0.00 H new ATOM 0 HB2 HIS A 100 102.989 16.615 18.851 1.00 0.00 H new ATOM 0 HB3 HIS A 100 104.165 15.499 19.516 1.00 0.00 H new ATOM 0 HD2 HIS A 100 101.117 17.435 20.707 1.00 0.00 H new ATOM 0 HE1 HIS A 100 103.264 16.443 24.204 1.00 0.00 H new ATOM 0 HE2 HIS A 100 101.022 17.331 23.340 1.00 0.00 H new ATOM 1503 N ASP A 101 106.596 17.034 17.675 1.00 0.00 N ATOM 1504 CA ASP A 101 107.147 16.940 16.326 1.00 0.00 C ATOM 1505 C ASP A 101 106.323 15.983 15.469 1.00 0.00 C ATOM 1506 O ASP A 101 105.976 14.885 15.904 1.00 0.00 O ATOM 1507 CB ASP A 101 108.597 16.453 16.387 1.00 0.00 C ATOM 1508 CG ASP A 101 109.468 17.462 17.132 1.00 0.00 C ATOM 1509 OD1 ASP A 101 109.176 18.646 17.058 1.00 0.00 O ATOM 1510 OD2 ASP A 101 110.418 17.036 17.767 1.00 0.00 O ATOM 0 H ASP A 101 107.253 16.805 18.421 1.00 0.00 H new ATOM 0 HA ASP A 101 107.113 17.931 15.874 1.00 0.00 H new ATOM 0 HB2 ASP A 101 108.641 15.486 16.887 1.00 0.00 H new ATOM 0 HB3 ASP A 101 108.981 16.307 15.377 1.00 0.00 H new ATOM 1515 N THR A 102 106.014 16.409 14.246 1.00 0.00 N ATOM 1516 CA THR A 102 105.199 15.607 13.339 1.00 0.00 C ATOM 1517 C THR A 102 105.834 15.537 11.951 1.00 0.00 C ATOM 1518 O THR A 102 106.559 16.442 11.541 1.00 0.00 O ATOM 1519 CB THR A 102 103.796 16.209 13.235 1.00 0.00 C ATOM 1520 OG1 THR A 102 103.248 16.352 14.538 1.00 0.00 O ATOM 1521 CG2 THR A 102 102.899 15.292 12.402 1.00 0.00 C ATOM 0 H THR A 102 106.316 17.304 13.861 1.00 0.00 H new ATOM 0 HA THR A 102 105.135 14.595 13.739 1.00 0.00 H new ATOM 0 HB THR A 102 103.857 17.185 12.753 1.00 0.00 H new ATOM 0 HG1 THR A 102 102.617 17.102 14.547 1.00 0.00 H new ATOM 0 HG21 THR A 102 101.901 15.725 12.331 1.00 0.00 H new ATOM 0 HG22 THR A 102 103.319 15.183 11.402 1.00 0.00 H new ATOM 0 HG23 THR A 102 102.837 14.314 12.878 1.00 0.00 H new ATOM 1529 N SER A 103 105.551 14.451 11.239 1.00 0.00 N ATOM 1530 CA SER A 103 106.070 14.257 9.887 1.00 0.00 C ATOM 1531 C SER A 103 104.934 13.871 8.944 1.00 0.00 C ATOM 1532 O SER A 103 103.827 13.575 9.394 1.00 0.00 O ATOM 1533 CB SER A 103 107.134 13.160 9.885 1.00 0.00 C ATOM 1534 OG SER A 103 106.521 11.914 10.185 1.00 0.00 O ATOM 0 H SER A 103 104.963 13.689 11.576 1.00 0.00 H new ATOM 0 HA SER A 103 106.519 15.190 9.546 1.00 0.00 H new ATOM 0 HB2 SER A 103 107.623 13.113 8.912 1.00 0.00 H new ATOM 0 HB3 SER A 103 107.907 13.385 10.620 1.00 0.00 H new ATOM 0 HG SER A 103 107.199 11.207 10.183 1.00 0.00 H new ATOM 1540 N ASP A 104 105.205 13.878 7.640 1.00 0.00 N ATOM 1541 CA ASP A 104 104.169 13.559 6.662 1.00 0.00 C ATOM 1542 C ASP A 104 104.262 12.089 6.280 1.00 0.00 C ATOM 1543 O ASP A 104 105.361 11.549 6.165 1.00 0.00 O ATOM 1544 CB ASP A 104 104.334 14.433 5.415 1.00 0.00 C ATOM 1545 CG ASP A 104 105.713 14.217 4.801 1.00 0.00 C ATOM 1546 OD1 ASP A 104 105.956 13.129 4.304 1.00 0.00 O ATOM 1547 OD2 ASP A 104 106.506 15.144 4.836 1.00 0.00 O ATOM 0 H ASP A 104 106.118 14.097 7.242 1.00 0.00 H new ATOM 0 HA ASP A 104 103.191 13.756 7.102 1.00 0.00 H new ATOM 0 HB2 ASP A 104 103.561 14.190 4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 104 104.205 15.483 5.678 1.00 0.00 H new ATOM 1552 N TYR A 105 103.116 11.439 6.083 1.00 0.00 N ATOM 1553 CA TYR A 105 103.098 10.002 5.810 1.00 0.00 C ATOM 1554 C TYR A 105 102.313 9.672 4.541 1.00 0.00 C ATOM 1555 O TYR A 105 101.381 10.384 4.166 1.00 0.00 O ATOM 1556 CB TYR A 105 102.499 9.259 7.009 1.00 0.00 C ATOM 1557 CG TYR A 105 101.018 9.494 7.210 1.00 0.00 C ATOM 1558 CD1 TYR A 105 100.085 8.654 6.591 1.00 0.00 C ATOM 1559 CD2 TYR A 105 100.581 10.552 8.017 1.00 0.00 C ATOM 1560 CE1 TYR A 105 98.715 8.871 6.779 1.00 0.00 C ATOM 1561 CE2 TYR A 105 99.210 10.769 8.205 1.00 0.00 C ATOM 1562 CZ TYR A 105 98.278 9.928 7.585 1.00 0.00 C ATOM 1563 OH TYR A 105 96.927 10.142 7.771 1.00 0.00 O ATOM 0 H TYR A 105 102.196 11.879 6.107 1.00 0.00 H new ATOM 0 HA TYR A 105 104.126 9.678 5.650 1.00 0.00 H new ATOM 0 HB2 TYR A 105 102.672 8.190 6.882 1.00 0.00 H new ATOM 0 HB3 TYR A 105 103.029 9.563 7.912 1.00 0.00 H new ATOM 0 HD1 TYR A 105 100.422 7.838 5.968 1.00 0.00 H new ATOM 0 HD2 TYR A 105 101.301 11.200 8.494 1.00 0.00 H new ATOM 0 HE1 TYR A 105 97.995 8.222 6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 105 98.872 11.584 8.828 1.00 0.00 H new ATOM 0 HH TYR A 105 96.796 10.915 8.359 1.00 0.00 H new ATOM 1573 N GLY A 106 102.709 8.581 3.891 1.00 0.00 N ATOM 1574 CA GLY A 106 102.019 8.106 2.696 1.00 0.00 C ATOM 1575 C GLY A 106 101.990 6.581 2.669 1.00 0.00 C ATOM 1576 O GLY A 106 102.676 5.930 3.457 1.00 0.00 O ATOM 0 H GLY A 106 103.505 8.009 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 106 101.001 8.496 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 106 102.521 8.482 1.805 1.00 0.00 H new ATOM 1580 N PHE A 107 101.223 6.016 1.739 1.00 0.00 N ATOM 1581 CA PHE A 107 101.060 4.563 1.663 1.00 0.00 C ATOM 1582 C PHE A 107 101.693 4.018 0.387 1.00 0.00 C ATOM 1583 O PHE A 107 101.599 4.646 -0.666 1.00 0.00 O ATOM 1584 CB PHE A 107 99.573 4.206 1.687 1.00 0.00 C ATOM 1585 CG PHE A 107 98.872 4.635 2.954 1.00 0.00 C ATOM 1586 CD1 PHE A 107 98.813 3.765 4.050 1.00 0.00 C ATOM 1587 CD2 PHE A 107 98.282 5.902 3.034 1.00 0.00 C ATOM 1588 CE1 PHE A 107 98.164 4.162 5.225 1.00 0.00 C ATOM 1589 CE2 PHE A 107 97.633 6.299 4.209 1.00 0.00 C ATOM 1590 CZ PHE A 107 97.573 5.429 5.305 1.00 0.00 C ATOM 0 H PHE A 107 100.707 6.537 1.031 1.00 0.00 H new ATOM 0 HA PHE A 107 101.558 4.114 2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 107 99.081 4.672 0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 107 99.464 3.128 1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 107 99.268 2.788 3.989 1.00 0.00 H new ATOM 0 HD2 PHE A 107 98.328 6.573 2.189 1.00 0.00 H new ATOM 0 HE1 PHE A 107 98.119 3.491 6.070 1.00 0.00 H new ATOM 0 HE2 PHE A 107 97.178 7.277 4.270 1.00 0.00 H new ATOM 0 HZ PHE A 107 97.071 5.735 6.211 1.00 0.00 H new ATOM 1600 N SER A 108 102.336 2.853 0.478 1.00 0.00 N ATOM 1601 CA SER A 108 102.978 2.256 -0.692 1.00 0.00 C ATOM 1602 C SER A 108 102.610 0.782 -0.818 1.00 0.00 C ATOM 1603 O SER A 108 102.440 0.094 0.187 1.00 0.00 O ATOM 1604 CB SER A 108 104.497 2.392 -0.574 1.00 0.00 C ATOM 1605 OG SER A 108 104.836 3.768 -0.472 1.00 0.00 O ATOM 0 H SER A 108 102.425 2.311 1.337 1.00 0.00 H new ATOM 0 HA SER A 108 102.628 2.781 -1.581 1.00 0.00 H new ATOM 0 HB2 SER A 108 104.856 1.851 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 108 104.983 1.949 -1.444 1.00 0.00 H new ATOM 0 HG SER A 108 105.809 3.860 -0.395 1.00 0.00 H new ATOM 1611 N TYR A 109 102.490 0.307 -2.055 1.00 0.00 N ATOM 1612 CA TYR A 109 102.200 -1.102 -2.300 1.00 0.00 C ATOM 1613 C TYR A 109 102.742 -1.536 -3.661 1.00 0.00 C ATOM 1614 O TYR A 109 103.018 -0.702 -4.522 1.00 0.00 O ATOM 1615 CB TYR A 109 100.688 -1.344 -2.224 1.00 0.00 C ATOM 1616 CG TYR A 109 99.902 -0.718 -3.353 1.00 0.00 C ATOM 1617 CD1 TYR A 109 99.495 0.618 -3.267 1.00 0.00 C ATOM 1618 CD2 TYR A 109 99.580 -1.475 -4.487 1.00 0.00 C ATOM 1619 CE1 TYR A 109 98.766 1.198 -4.313 1.00 0.00 C ATOM 1620 CE2 TYR A 109 98.852 -0.896 -5.533 1.00 0.00 C ATOM 1621 CZ TYR A 109 98.445 0.442 -5.445 1.00 0.00 C ATOM 1622 OH TYR A 109 97.727 1.012 -6.477 1.00 0.00 O ATOM 0 H TYR A 109 102.588 0.873 -2.898 1.00 0.00 H new ATOM 0 HA TYR A 109 102.693 -1.699 -1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 109 100.503 -2.418 -2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 109 100.316 -0.953 -1.277 1.00 0.00 H new ATOM 0 HD1 TYR A 109 99.743 1.202 -2.393 1.00 0.00 H new ATOM 0 HD2 TYR A 109 99.894 -2.506 -4.554 1.00 0.00 H new ATOM 0 HE1 TYR A 109 98.452 2.229 -4.245 1.00 0.00 H new ATOM 0 HE2 TYR A 109 98.604 -1.480 -6.407 1.00 0.00 H new ATOM 0 HH TYR A 109 97.591 0.349 -7.186 1.00 0.00 H new ATOM 1632 N GLY A 110 102.899 -2.845 -3.849 1.00 0.00 N ATOM 1633 CA GLY A 110 103.358 -3.367 -5.132 1.00 0.00 C ATOM 1634 C GLY A 110 103.538 -4.881 -5.085 1.00 0.00 C ATOM 1635 O GLY A 110 103.245 -5.514 -4.073 1.00 0.00 O ATOM 0 H GLY A 110 102.718 -3.554 -3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 110 102.639 -3.109 -5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 110 104.303 -2.895 -5.401 1.00 0.00 H new ATOM 1639 N ALA A 111 104.030 -5.453 -6.181 1.00 0.00 N ATOM 1640 CA ALA A 111 104.248 -6.894 -6.253 1.00 0.00 C ATOM 1641 C ALA A 111 105.524 -7.201 -7.033 1.00 0.00 C ATOM 1642 O ALA A 111 105.972 -6.389 -7.843 1.00 0.00 O ATOM 1643 CB ALA A 111 103.057 -7.570 -6.934 1.00 0.00 C ATOM 0 H ALA A 111 104.284 -4.943 -7.027 1.00 0.00 H new ATOM 0 HA ALA A 111 104.351 -7.279 -5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 111 103.228 -8.645 -6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 111 102.151 -7.373 -6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 111 102.942 -7.174 -7.943 1.00 0.00 H new ATOM 1649 N GLY A 112 106.105 -8.374 -6.790 1.00 0.00 N ATOM 1650 CA GLY A 112 107.351 -8.742 -7.454 1.00 0.00 C ATOM 1651 C GLY A 112 107.453 -10.251 -7.650 1.00 0.00 C ATOM 1652 O GLY A 112 106.727 -11.017 -7.018 1.00 0.00 O ATOM 0 H GLY A 112 105.739 -9.076 -6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 112 107.411 -8.243 -8.421 1.00 0.00 H new ATOM 0 HA3 GLY A 112 108.197 -8.392 -6.862 1.00 0.00 H new ATOM 1656 N LEU A 113 108.367 -10.664 -8.527 1.00 0.00 N ATOM 1657 CA LEU A 113 108.576 -12.081 -8.809 1.00 0.00 C ATOM 1658 C LEU A 113 110.058 -12.420 -8.683 1.00 0.00 C ATOM 1659 O LEU A 113 110.910 -11.570 -8.938 1.00 0.00 O ATOM 1660 CB LEU A 113 108.096 -12.422 -10.222 1.00 0.00 C ATOM 1661 CG LEU A 113 106.616 -12.046 -10.382 1.00 0.00 C ATOM 1662 CD1 LEU A 113 106.497 -10.590 -10.844 1.00 0.00 C ATOM 1663 CD2 LEU A 113 105.958 -12.958 -11.423 1.00 0.00 C ATOM 0 H LEU A 113 108.974 -10.036 -9.054 1.00 0.00 H new ATOM 0 HA LEU A 113 108.003 -12.666 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 113 108.697 -11.887 -10.957 1.00 0.00 H new ATOM 0 HB3 LEU A 113 108.232 -13.486 -10.413 1.00 0.00 H new ATOM 0 HG LEU A 113 106.115 -12.167 -9.421 1.00 0.00 H new ATOM 0 HD11 LEU A 113 105.445 -10.329 -10.956 1.00 0.00 H new ATOM 0 HD12 LEU A 113 106.957 -9.935 -10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 113 107.005 -10.469 -11.801 1.00 0.00 H new ATOM 0 HD21 LEU A 113 104.908 -12.687 -11.532 1.00 0.00 H new ATOM 0 HD22 LEU A 113 106.465 -12.841 -12.381 1.00 0.00 H new ATOM 0 HD23 LEU A 113 106.033 -13.995 -11.097 1.00 0.00 H new ATOM 1675 N GLN A 114 110.360 -13.654 -8.281 1.00 0.00 N ATOM 1676 CA GLN A 114 111.749 -14.087 -8.141 1.00 0.00 C ATOM 1677 C GLN A 114 112.086 -15.148 -9.183 1.00 0.00 C ATOM 1678 O GLN A 114 111.290 -16.049 -9.450 1.00 0.00 O ATOM 1679 CB GLN A 114 111.974 -14.649 -6.736 1.00 0.00 C ATOM 1680 CG GLN A 114 111.769 -13.532 -5.708 1.00 0.00 C ATOM 1681 CD GLN A 114 111.905 -14.072 -4.287 1.00 0.00 C ATOM 1682 OE1 GLN A 114 111.824 -15.280 -4.063 1.00 0.00 O ATOM 1683 NE2 GLN A 114 112.107 -13.237 -3.305 1.00 0.00 N ATOM 0 H GLN A 114 109.668 -14.366 -8.048 1.00 0.00 H new ATOM 0 HA GLN A 114 112.401 -13.228 -8.297 1.00 0.00 H new ATOM 0 HB2 GLN A 114 111.281 -15.468 -6.544 1.00 0.00 H new ATOM 0 HB3 GLN A 114 112.981 -15.057 -6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 114 112.501 -12.741 -5.873 1.00 0.00 H new ATOM 0 HG3 GLN A 114 110.783 -13.087 -5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 114 112.174 -12.237 -3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 114 112.198 -13.585 -2.350 1.00 0.00 H new ATOM 1692 N PHE A 115 113.275 -15.033 -9.771 1.00 0.00 N ATOM 1693 CA PHE A 115 113.712 -15.964 -10.807 1.00 0.00 C ATOM 1694 C PHE A 115 115.041 -16.605 -10.422 1.00 0.00 C ATOM 1695 O PHE A 115 115.805 -16.030 -9.649 1.00 0.00 O ATOM 1696 CB PHE A 115 113.868 -15.225 -12.137 1.00 0.00 C ATOM 1697 CG PHE A 115 112.579 -14.622 -12.644 1.00 0.00 C ATOM 1698 CD1 PHE A 115 111.687 -15.401 -13.390 1.00 0.00 C ATOM 1699 CD2 PHE A 115 112.276 -13.283 -12.368 1.00 0.00 C ATOM 1700 CE1 PHE A 115 110.492 -14.843 -13.860 1.00 0.00 C ATOM 1701 CE2 PHE A 115 111.082 -12.724 -12.838 1.00 0.00 C ATOM 1702 CZ PHE A 115 110.190 -13.504 -13.583 1.00 0.00 C ATOM 0 H PHE A 115 113.952 -14.304 -9.547 1.00 0.00 H new ATOM 0 HA PHE A 115 112.960 -16.746 -10.910 1.00 0.00 H new ATOM 0 HB2 PHE A 115 114.609 -14.434 -12.020 1.00 0.00 H new ATOM 0 HB3 PHE A 115 114.256 -15.917 -12.885 1.00 0.00 H new ATOM 0 HD1 PHE A 115 111.921 -16.434 -13.603 1.00 0.00 H new ATOM 0 HD2 PHE A 115 112.964 -12.681 -11.792 1.00 0.00 H new ATOM 0 HE1 PHE A 115 109.804 -15.445 -14.435 1.00 0.00 H new ATOM 0 HE2 PHE A 115 110.849 -11.691 -12.626 1.00 0.00 H new ATOM 0 HZ PHE A 115 109.268 -13.073 -13.944 1.00 0.00 H new ATOM 1712 N ASN A 116 115.306 -17.780 -10.990 1.00 0.00 N ATOM 1713 CA ASN A 116 116.527 -18.527 -10.699 1.00 0.00 C ATOM 1714 C ASN A 116 116.527 -19.011 -9.242 1.00 0.00 C ATOM 1715 O ASN A 116 117.259 -18.475 -8.407 1.00 0.00 O ATOM 1716 CB ASN A 116 117.776 -17.681 -10.984 1.00 0.00 C ATOM 1717 CG ASN A 116 117.711 -17.087 -12.388 1.00 0.00 C ATOM 1718 OD1 ASN A 116 117.622 -15.870 -12.545 1.00 0.00 O ATOM 1719 ND2 ASN A 116 117.750 -17.880 -13.424 1.00 0.00 N ATOM 0 H ASN A 116 114.686 -18.237 -11.659 1.00 0.00 H new ATOM 0 HA ASN A 116 116.553 -19.397 -11.356 1.00 0.00 H new ATOM 0 HB2 ASN A 116 117.856 -16.881 -10.248 1.00 0.00 H new ATOM 0 HB3 ASN A 116 118.670 -18.297 -10.884 1.00 0.00 H new ATOM 0 HD21 ASN A 116 117.707 -17.491 -14.366 1.00 0.00 H new ATOM 0 HD22 ASN A 116 117.824 -18.889 -13.292 1.00 0.00 H new ATOM 1726 N PRO A 117 115.719 -19.998 -8.909 1.00 0.00 N ATOM 1727 CA PRO A 117 115.665 -20.533 -7.519 1.00 0.00 C ATOM 1728 C PRO A 117 116.697 -21.631 -7.277 1.00 0.00 C ATOM 1729 O PRO A 117 117.458 -21.578 -6.311 1.00 0.00 O ATOM 1730 CB PRO A 117 114.244 -21.084 -7.412 1.00 0.00 C ATOM 1731 CG PRO A 117 113.884 -21.521 -8.794 1.00 0.00 C ATOM 1732 CD PRO A 117 114.758 -20.725 -9.769 1.00 0.00 C ATOM 0 HA PRO A 117 115.895 -19.771 -6.775 1.00 0.00 H new ATOM 0 HB2 PRO A 117 114.197 -21.918 -6.711 1.00 0.00 H new ATOM 0 HB3 PRO A 117 113.554 -20.323 -7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 117 114.052 -22.591 -8.914 1.00 0.00 H new ATOM 0 HG3 PRO A 117 112.827 -21.340 -8.991 1.00 0.00 H new ATOM 0 HD2 PRO A 117 115.273 -21.385 -10.468 1.00 0.00 H new ATOM 0 HD3 PRO A 117 114.159 -20.035 -10.364 1.00 0.00 H new ATOM 1740 N MET A 118 116.718 -22.627 -8.158 1.00 0.00 N ATOM 1741 CA MET A 118 117.654 -23.739 -8.019 1.00 0.00 C ATOM 1742 C MET A 118 119.093 -23.234 -7.958 1.00 0.00 C ATOM 1743 O MET A 118 119.911 -23.752 -7.196 1.00 0.00 O ATOM 1744 CB MET A 118 117.500 -24.699 -9.201 1.00 0.00 C ATOM 1745 CG MET A 118 118.238 -26.004 -8.898 1.00 0.00 C ATOM 1746 SD MET A 118 118.252 -27.046 -10.378 1.00 0.00 S ATOM 1747 CE MET A 118 116.461 -27.259 -10.524 1.00 0.00 C ATOM 0 H MET A 118 116.103 -22.688 -8.970 1.00 0.00 H new ATOM 0 HA MET A 118 117.428 -24.262 -7.089 1.00 0.00 H new ATOM 0 HB2 MET A 118 116.445 -24.900 -9.385 1.00 0.00 H new ATOM 0 HB3 MET A 118 117.900 -24.244 -10.107 1.00 0.00 H new ATOM 0 HG2 MET A 118 119.259 -25.792 -8.580 1.00 0.00 H new ATOM 0 HG3 MET A 118 117.750 -26.528 -8.076 1.00 0.00 H new ATOM 0 HE1 MET A 118 116.244 -28.253 -10.916 1.00 0.00 H new ATOM 0 HE2 MET A 118 116.000 -27.147 -9.543 1.00 0.00 H new ATOM 0 HE3 MET A 118 116.059 -26.506 -11.201 1.00 0.00 H new ATOM 1757 N GLU A 119 119.398 -22.223 -8.764 1.00 0.00 N ATOM 1758 CA GLU A 119 120.729 -21.627 -8.764 1.00 0.00 C ATOM 1759 C GLU A 119 121.048 -21.050 -7.390 1.00 0.00 C ATOM 1760 O GLU A 119 120.150 -20.840 -6.574 1.00 0.00 O ATOM 1761 CB GLU A 119 120.805 -20.518 -9.815 1.00 0.00 C ATOM 1762 CG GLU A 119 120.559 -21.112 -11.206 1.00 0.00 C ATOM 1763 CD GLU A 119 120.709 -20.059 -12.310 1.00 0.00 C ATOM 1764 OE1 GLU A 119 120.801 -18.878 -12.002 1.00 0.00 O ATOM 1765 OE2 GLU A 119 120.729 -20.454 -13.464 1.00 0.00 O ATOM 0 H GLU A 119 118.745 -21.800 -9.423 1.00 0.00 H new ATOM 0 HA GLU A 119 121.458 -22.402 -9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 119 120.064 -19.748 -9.601 1.00 0.00 H new ATOM 0 HB3 GLU A 119 121.783 -20.037 -9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 119 121.262 -21.926 -11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 119 119.558 -21.541 -11.246 1.00 0.00 H new ATOM 1772 N ASN A 120 122.328 -20.795 -7.136 1.00 0.00 N ATOM 1773 CA ASN A 120 122.738 -20.230 -5.849 1.00 0.00 C ATOM 1774 C ASN A 120 122.537 -18.707 -5.768 1.00 0.00 C ATOM 1775 O ASN A 120 122.884 -18.094 -4.760 1.00 0.00 O ATOM 1776 CB ASN A 120 124.209 -20.572 -5.589 1.00 0.00 C ATOM 1777 CG ASN A 120 125.114 -19.883 -6.608 1.00 0.00 C ATOM 1778 OD1 ASN A 120 124.655 -19.471 -7.674 1.00 0.00 O ATOM 1779 ND2 ASN A 120 126.383 -19.732 -6.342 1.00 0.00 N ATOM 0 H ASN A 120 123.091 -20.966 -7.791 1.00 0.00 H new ATOM 0 HA ASN A 120 122.099 -20.673 -5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 120 124.486 -20.262 -4.581 1.00 0.00 H new ATOM 0 HB3 ASN A 120 124.351 -21.651 -5.641 1.00 0.00 H new ATOM 0 HD21 ASN A 120 126.994 -19.273 -7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 120 126.763 -20.073 -5.459 1.00 0.00 H new ATOM 1786 N VAL A 121 121.983 -18.095 -6.817 1.00 0.00 N ATOM 1787 CA VAL A 121 121.656 -16.674 -6.789 1.00 0.00 C ATOM 1788 C VAL A 121 120.247 -16.462 -7.334 1.00 0.00 C ATOM 1789 O VAL A 121 119.773 -17.240 -8.162 1.00 0.00 O ATOM 1790 CB VAL A 121 122.665 -15.885 -7.627 1.00 0.00 C ATOM 1791 CG1 VAL A 121 124.063 -16.051 -7.028 1.00 0.00 C ATOM 1792 CG2 VAL A 121 122.669 -16.411 -9.065 1.00 0.00 C ATOM 0 H VAL A 121 121.753 -18.563 -7.694 1.00 0.00 H new ATOM 0 HA VAL A 121 121.701 -16.318 -5.760 1.00 0.00 H new ATOM 0 HB VAL A 121 122.385 -14.832 -7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 121 124.783 -15.490 -7.624 1.00 0.00 H new ATOM 0 HG12 VAL A 121 124.067 -15.675 -6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 121 124.336 -17.106 -7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 121 123.389 -15.846 -9.657 1.00 0.00 H new ATOM 0 HG22 VAL A 121 122.946 -17.465 -9.066 1.00 0.00 H new ATOM 0 HG23 VAL A 121 121.675 -16.297 -9.497 1.00 0.00 H new ATOM 1802 N ALA A 122 119.577 -15.411 -6.869 1.00 0.00 N ATOM 1803 CA ALA A 122 118.219 -15.123 -7.325 1.00 0.00 C ATOM 1804 C ALA A 122 118.049 -13.635 -7.605 1.00 0.00 C ATOM 1805 O ALA A 122 118.705 -12.802 -6.982 1.00 0.00 O ATOM 1806 CB ALA A 122 117.211 -15.560 -6.261 1.00 0.00 C ATOM 0 H ALA A 122 119.946 -14.751 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 122 118.041 -15.676 -8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 122 116.200 -15.343 -6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 122 117.311 -16.631 -6.083 1.00 0.00 H new ATOM 0 HB3 ALA A 122 117.402 -15.018 -5.335 1.00 0.00 H new ATOM 1812 N LEU A 123 117.162 -13.315 -8.543 1.00 0.00 N ATOM 1813 CA LEU A 123 116.897 -11.924 -8.905 1.00 0.00 C ATOM 1814 C LEU A 123 115.439 -11.586 -8.616 1.00 0.00 C ATOM 1815 O LEU A 123 114.564 -12.433 -8.790 1.00 0.00 O ATOM 1816 CB LEU A 123 117.190 -11.701 -10.391 1.00 0.00 C ATOM 1817 CG LEU A 123 118.635 -12.097 -10.708 1.00 0.00 C ATOM 1818 CD1 LEU A 123 118.882 -11.962 -12.212 1.00 0.00 C ATOM 1819 CD2 LEU A 123 119.599 -11.176 -9.956 1.00 0.00 C ATOM 0 H LEU A 123 116.615 -13.998 -9.066 1.00 0.00 H new ATOM 0 HA LEU A 123 117.544 -11.276 -8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 123 116.502 -12.290 -10.998 1.00 0.00 H new ATOM 0 HB3 LEU A 123 117.027 -10.655 -10.649 1.00 0.00 H new ATOM 0 HG LEU A 123 118.801 -13.129 -10.398 1.00 0.00 H new ATOM 0 HD11 LEU A 123 119.910 -12.244 -12.439 1.00 0.00 H new ATOM 0 HD12 LEU A 123 118.199 -12.617 -12.753 1.00 0.00 H new ATOM 0 HD13 LEU A 123 118.713 -10.929 -12.517 1.00 0.00 H new ATOM 0 HD21 LEU A 123 120.626 -11.461 -10.184 1.00 0.00 H new ATOM 0 HD22 LEU A 123 119.431 -10.144 -10.264 1.00 0.00 H new ATOM 0 HD23 LEU A 123 119.427 -11.267 -8.884 1.00 0.00 H new ATOM 1831 N ASP A 124 115.175 -10.356 -8.180 1.00 0.00 N ATOM 1832 CA ASP A 124 113.811 -9.950 -7.850 1.00 0.00 C ATOM 1833 C ASP A 124 113.446 -8.660 -8.575 1.00 0.00 C ATOM 1834 O ASP A 124 114.206 -7.691 -8.540 1.00 0.00 O ATOM 1835 CB ASP A 124 113.673 -9.754 -6.335 1.00 0.00 C ATOM 1836 CG ASP A 124 114.576 -8.623 -5.842 1.00 0.00 C ATOM 1837 OD1 ASP A 124 115.592 -8.375 -6.470 1.00 0.00 O ATOM 1838 OD2 ASP A 124 114.235 -8.019 -4.839 1.00 0.00 O ATOM 0 H ASP A 124 115.879 -9.630 -8.048 1.00 0.00 H new ATOM 0 HA ASP A 124 113.129 -10.736 -8.173 1.00 0.00 H new ATOM 0 HB2 ASP A 124 112.636 -9.530 -6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 124 113.930 -10.680 -5.820 1.00 0.00 H new ATOM 1843 N PHE A 125 112.295 -8.669 -9.242 1.00 0.00 N ATOM 1844 CA PHE A 125 111.806 -7.480 -9.936 1.00 0.00 C ATOM 1845 C PHE A 125 110.387 -7.169 -9.477 1.00 0.00 C ATOM 1846 O PHE A 125 109.540 -8.059 -9.447 1.00 0.00 O ATOM 1847 CB PHE A 125 111.820 -7.717 -11.448 1.00 0.00 C ATOM 1848 CG PHE A 125 113.202 -7.971 -12.003 1.00 0.00 C ATOM 1849 CD1 PHE A 125 113.988 -6.900 -12.444 1.00 0.00 C ATOM 1850 CD2 PHE A 125 113.696 -9.278 -12.076 1.00 0.00 C ATOM 1851 CE1 PHE A 125 115.269 -7.136 -12.957 1.00 0.00 C ATOM 1852 CE2 PHE A 125 114.977 -9.514 -12.590 1.00 0.00 C ATOM 1853 CZ PHE A 125 115.763 -8.443 -13.031 1.00 0.00 C ATOM 0 H PHE A 125 111.685 -9.483 -9.317 1.00 0.00 H new ATOM 0 HA PHE A 125 112.455 -6.636 -9.702 1.00 0.00 H new ATOM 0 HB2 PHE A 125 111.181 -8.569 -11.681 1.00 0.00 H new ATOM 0 HB3 PHE A 125 111.389 -6.850 -11.948 1.00 0.00 H new ATOM 0 HD1 PHE A 125 113.606 -5.891 -12.388 1.00 0.00 H new ATOM 0 HD2 PHE A 125 113.090 -10.105 -11.736 1.00 0.00 H new ATOM 0 HE1 PHE A 125 115.876 -6.309 -13.296 1.00 0.00 H new ATOM 0 HE2 PHE A 125 115.359 -10.523 -12.646 1.00 0.00 H new ATOM 0 HZ PHE A 125 116.751 -8.625 -13.428 1.00 0.00 H new ATOM 1863 N SER A 126 110.137 -5.918 -9.106 1.00 0.00 N ATOM 1864 CA SER A 126 108.814 -5.531 -8.626 1.00 0.00 C ATOM 1865 C SER A 126 108.445 -4.130 -9.098 1.00 0.00 C ATOM 1866 O SER A 126 109.315 -3.318 -9.412 1.00 0.00 O ATOM 1867 CB SER A 126 108.781 -5.580 -7.098 1.00 0.00 C ATOM 1868 OG SER A 126 109.596 -4.539 -6.579 1.00 0.00 O ATOM 0 H SER A 126 110.822 -5.163 -9.127 1.00 0.00 H new ATOM 0 HA SER A 126 108.088 -6.234 -9.034 1.00 0.00 H new ATOM 0 HB2 SER A 126 107.757 -5.469 -6.741 1.00 0.00 H new ATOM 0 HB3 SER A 126 109.138 -6.548 -6.746 1.00 0.00 H new ATOM 0 HG SER A 126 109.576 -4.566 -5.600 1.00 0.00 H new ATOM 1874 N TYR A 127 107.144 -3.856 -9.141 1.00 0.00 N ATOM 1875 CA TYR A 127 106.653 -2.525 -9.482 1.00 0.00 C ATOM 1876 C TYR A 127 105.984 -1.903 -8.262 1.00 0.00 C ATOM 1877 O TYR A 127 105.085 -2.498 -7.668 1.00 0.00 O ATOM 1878 CB TYR A 127 105.644 -2.617 -10.628 1.00 0.00 C ATOM 1879 CG TYR A 127 106.214 -3.230 -11.885 1.00 0.00 C ATOM 1880 CD1 TYR A 127 106.143 -4.613 -12.084 1.00 0.00 C ATOM 1881 CD2 TYR A 127 106.811 -2.413 -12.852 1.00 0.00 C ATOM 1882 CE1 TYR A 127 106.670 -5.180 -13.251 1.00 0.00 C ATOM 1883 CE2 TYR A 127 107.340 -2.980 -14.018 1.00 0.00 C ATOM 1884 CZ TYR A 127 107.269 -4.364 -14.217 1.00 0.00 C ATOM 1885 OH TYR A 127 107.787 -4.923 -15.368 1.00 0.00 O ATOM 0 H TYR A 127 106.411 -4.538 -8.944 1.00 0.00 H new ATOM 0 HA TYR A 127 107.492 -1.904 -9.796 1.00 0.00 H new ATOM 0 HB2 TYR A 127 104.788 -3.207 -10.301 1.00 0.00 H new ATOM 0 HB3 TYR A 127 105.273 -1.618 -10.856 1.00 0.00 H new ATOM 0 HD1 TYR A 127 105.682 -5.243 -11.338 1.00 0.00 H new ATOM 0 HD2 TYR A 127 106.864 -1.345 -12.699 1.00 0.00 H new ATOM 0 HE1 TYR A 127 106.614 -6.247 -13.405 1.00 0.00 H new ATOM 0 HE2 TYR A 127 107.803 -2.350 -14.763 1.00 0.00 H new ATOM 0 HH TYR A 127 108.165 -4.217 -15.933 1.00 0.00 H new ATOM 1895 N GLU A 128 106.421 -0.701 -7.891 1.00 0.00 N ATOM 1896 CA GLU A 128 105.908 -0.044 -6.692 1.00 0.00 C ATOM 1897 C GLU A 128 105.271 1.301 -7.025 1.00 0.00 C ATOM 1898 O GLU A 128 105.798 2.073 -7.825 1.00 0.00 O ATOM 1899 CB GLU A 128 107.051 0.173 -5.697 1.00 0.00 C ATOM 1900 CG GLU A 128 107.630 -1.182 -5.277 1.00 0.00 C ATOM 1901 CD GLU A 128 106.586 -2.039 -4.558 1.00 0.00 C ATOM 1902 OE1 GLU A 128 105.592 -1.498 -4.095 1.00 0.00 O ATOM 1903 OE2 GLU A 128 106.798 -3.237 -4.481 1.00 0.00 O ATOM 0 H GLU A 128 107.124 -0.166 -8.400 1.00 0.00 H new ATOM 0 HA GLU A 128 105.145 -0.688 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 128 107.829 0.788 -6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 128 106.688 0.712 -4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 128 107.994 -1.712 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 128 108.487 -1.025 -4.622 1.00 0.00 H new ATOM 1910 N GLN A 129 104.129 1.566 -6.398 1.00 0.00 N ATOM 1911 CA GLN A 129 103.462 2.855 -6.528 1.00 0.00 C ATOM 1912 C GLN A 129 103.159 3.404 -5.139 1.00 0.00 C ATOM 1913 O GLN A 129 102.829 2.641 -4.230 1.00 0.00 O ATOM 1914 CB GLN A 129 102.160 2.697 -7.317 1.00 0.00 C ATOM 1915 CG GLN A 129 102.479 2.247 -8.745 1.00 0.00 C ATOM 1916 CD GLN A 129 101.194 1.997 -9.529 1.00 0.00 C ATOM 1917 OE1 GLN A 129 100.122 1.829 -8.946 1.00 0.00 O ATOM 1918 NE2 GLN A 129 101.238 1.962 -10.834 1.00 0.00 N ATOM 0 H GLN A 129 103.646 0.902 -5.793 1.00 0.00 H new ATOM 0 HA GLN A 129 104.114 3.546 -7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 129 101.514 1.967 -6.830 1.00 0.00 H new ATOM 0 HB3 GLN A 129 101.616 3.642 -7.335 1.00 0.00 H new ATOM 0 HG2 GLN A 129 103.076 3.009 -9.247 1.00 0.00 H new ATOM 0 HG3 GLN A 129 103.079 1.337 -8.720 1.00 0.00 H new ATOM 0 HE21 GLN A 129 102.125 2.101 -11.318 1.00 0.00 H new ATOM 0 HE22 GLN A 129 100.385 1.796 -11.369 1.00 0.00 H new ATOM 1927 N SER A 130 103.286 4.717 -4.969 1.00 0.00 N ATOM 1928 CA SER A 130 103.053 5.329 -3.663 1.00 0.00 C ATOM 1929 C SER A 130 102.267 6.628 -3.794 1.00 0.00 C ATOM 1930 O SER A 130 102.453 7.385 -4.747 1.00 0.00 O ATOM 1931 CB SER A 130 104.390 5.612 -2.979 1.00 0.00 C ATOM 1932 OG SER A 130 104.148 6.096 -1.665 1.00 0.00 O ATOM 0 H SER A 130 103.545 5.371 -5.708 1.00 0.00 H new ATOM 0 HA SER A 130 102.468 4.632 -3.063 1.00 0.00 H new ATOM 0 HB2 SER A 130 104.992 4.704 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 130 104.957 6.346 -3.551 1.00 0.00 H new ATOM 0 HG SER A 130 104.260 5.365 -1.021 1.00 0.00 H new ATOM 1938 N ARG A 131 101.401 6.877 -2.817 1.00 0.00 N ATOM 1939 CA ARG A 131 100.629 8.115 -2.771 1.00 0.00 C ATOM 1940 C ARG A 131 101.006 8.889 -1.514 1.00 0.00 C ATOM 1941 O ARG A 131 100.827 8.397 -0.399 1.00 0.00 O ATOM 1942 CB ARG A 131 99.132 7.793 -2.755 1.00 0.00 C ATOM 1943 CG ARG A 131 98.309 9.085 -2.804 1.00 0.00 C ATOM 1944 CD ARG A 131 98.317 9.656 -4.224 1.00 0.00 C ATOM 1945 NE ARG A 131 97.576 10.921 -4.264 1.00 0.00 N ATOM 1946 CZ ARG A 131 96.244 11.001 -4.132 1.00 0.00 C ATOM 1947 NH1 ARG A 131 95.493 9.941 -3.950 1.00 0.00 N ATOM 1948 NH2 ARG A 131 95.676 12.175 -4.185 1.00 0.00 N ATOM 0 H ARG A 131 101.216 6.237 -2.045 1.00 0.00 H new ATOM 0 HA ARG A 131 100.850 8.718 -3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 131 98.880 7.161 -3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 131 98.884 7.230 -1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 131 97.285 8.886 -2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 131 98.721 9.815 -2.107 1.00 0.00 H new ATOM 0 HD2 ARG A 131 99.343 9.817 -4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 131 97.869 8.941 -4.914 1.00 0.00 H new ATOM 0 HE ARG A 131 98.101 11.785 -4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 131 95.919 9.016 -3.905 1.00 0.00 H new ATOM 0 HH12 ARG A 131 94.483 10.042 -3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 131 96.244 13.011 -4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 131 94.664 12.257 -4.087 1.00 0.00 H new ATOM 1962 N ILE A 132 101.550 10.087 -1.710 1.00 0.00 N ATOM 1963 CA ILE A 132 102.020 10.903 -0.597 1.00 0.00 C ATOM 1964 C ILE A 132 101.378 12.271 -0.729 1.00 0.00 C ATOM 1965 O ILE A 132 101.906 13.124 -1.441 1.00 0.00 O ATOM 1966 CB ILE A 132 103.545 11.034 -0.644 1.00 0.00 C ATOM 1967 CG1 ILE A 132 104.182 9.642 -0.606 1.00 0.00 C ATOM 1968 CG2 ILE A 132 104.030 11.843 0.562 1.00 0.00 C ATOM 1969 CD1 ILE A 132 105.692 9.761 -0.818 1.00 0.00 C ATOM 0 H ILE A 132 101.676 10.513 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 132 101.750 10.442 0.353 1.00 0.00 H new ATOM 0 HB ILE A 132 103.832 11.543 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 132 103.976 9.163 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 132 103.745 9.010 -1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 132 105.116 11.935 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 132 103.581 12.836 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 132 103.739 11.335 1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 132 106.143 8.769 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 132 105.888 10.222 -1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 132 106.123 10.377 -0.029 1.00 0.00 H new ATOM 1981 N ARG A 133 100.252 12.463 -0.033 1.00 0.00 N ATOM 1982 CA ARG A 133 99.313 13.583 -0.242 1.00 0.00 C ATOM 1983 C ARG A 133 99.488 14.317 -1.581 1.00 0.00 C ATOM 1984 O ARG A 133 100.316 15.220 -1.703 1.00 0.00 O ATOM 1985 CB ARG A 133 99.483 14.586 0.905 1.00 0.00 C ATOM 1986 CG ARG A 133 98.395 15.662 0.834 1.00 0.00 C ATOM 1987 CD ARG A 133 98.618 16.686 1.949 1.00 0.00 C ATOM 1988 NE ARG A 133 97.520 17.658 1.975 1.00 0.00 N ATOM 1989 CZ ARG A 133 97.654 18.912 2.432 1.00 0.00 C ATOM 1990 NH1 ARG A 133 98.790 19.367 2.904 1.00 0.00 N ATOM 1991 NH2 ARG A 133 96.619 19.707 2.411 1.00 0.00 N ATOM 0 H ARG A 133 99.956 11.831 0.711 1.00 0.00 H new ATOM 0 HA ARG A 133 98.313 13.150 -0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 133 99.429 14.067 1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 133 100.468 15.050 0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 133 98.419 16.155 -0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 133 97.410 15.206 0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 133 98.685 16.178 2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 133 99.566 17.202 1.794 1.00 0.00 H new ATOM 0 HE ARG A 133 96.607 17.365 1.627 1.00 0.00 H new ATOM 0 HH11 ARG A 133 99.610 18.761 2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 133 98.854 20.327 3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 133 95.726 19.372 2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 133 96.704 20.664 2.755 1.00 0.00 H new ATOM 2005 N SER A 134 98.697 13.915 -2.572 1.00 0.00 N ATOM 2006 CA SER A 134 98.591 14.636 -3.848 1.00 0.00 C ATOM 2007 C SER A 134 99.819 14.461 -4.751 1.00 0.00 C ATOM 2008 O SER A 134 99.785 14.887 -5.906 1.00 0.00 O ATOM 2009 CB SER A 134 98.345 16.133 -3.620 1.00 0.00 C ATOM 2010 OG SER A 134 97.994 16.741 -4.856 1.00 0.00 O ATOM 0 H SER A 134 98.110 13.082 -2.519 1.00 0.00 H new ATOM 0 HA SER A 134 97.738 14.192 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 134 97.547 16.276 -2.891 1.00 0.00 H new ATOM 0 HB3 SER A 134 99.239 16.603 -3.211 1.00 0.00 H new ATOM 0 HG SER A 134 98.510 16.330 -5.581 1.00 0.00 H new ATOM 2016 N VAL A 135 100.896 13.847 -4.254 1.00 0.00 N ATOM 2017 CA VAL A 135 102.071 13.593 -5.084 1.00 0.00 C ATOM 2018 C VAL A 135 102.099 12.125 -5.492 1.00 0.00 C ATOM 2019 O VAL A 135 101.914 11.241 -4.654 1.00 0.00 O ATOM 2020 CB VAL A 135 103.350 13.944 -4.316 1.00 0.00 C ATOM 2021 CG1 VAL A 135 104.570 13.765 -5.225 1.00 0.00 C ATOM 2022 CG2 VAL A 135 103.292 15.399 -3.844 1.00 0.00 C ATOM 0 H VAL A 135 100.977 13.520 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 135 102.017 14.217 -5.976 1.00 0.00 H new ATOM 0 HB VAL A 135 103.433 13.281 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 135 105.475 14.016 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 135 104.625 12.729 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 135 104.479 14.422 -6.090 1.00 0.00 H new ATOM 0 HG21 VAL A 135 104.204 15.641 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 135 103.199 16.058 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 135 102.431 15.535 -3.189 1.00 0.00 H new ATOM 2032 N ASP A 136 102.328 11.874 -6.777 1.00 0.00 N ATOM 2033 CA ASP A 136 102.343 10.506 -7.293 1.00 0.00 C ATOM 2034 C ASP A 136 103.775 10.044 -7.539 1.00 0.00 C ATOM 2035 O ASP A 136 104.506 10.668 -8.307 1.00 0.00 O ATOM 2036 CB ASP A 136 101.550 10.432 -8.600 1.00 0.00 C ATOM 2037 CG ASP A 136 101.455 8.985 -9.071 1.00 0.00 C ATOM 2038 OD1 ASP A 136 100.508 8.319 -8.687 1.00 0.00 O ATOM 2039 OD2 ASP A 136 102.331 8.564 -9.809 1.00 0.00 O ATOM 0 H ASP A 136 102.505 12.594 -7.478 1.00 0.00 H new ATOM 0 HA ASP A 136 101.883 9.852 -6.552 1.00 0.00 H new ATOM 0 HB2 ASP A 136 100.551 10.841 -8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 136 102.034 11.041 -9.364 1.00 0.00 H new ATOM 2044 N VAL A 137 104.176 8.948 -6.898 1.00 0.00 N ATOM 2045 CA VAL A 137 105.539 8.439 -7.052 1.00 0.00 C ATOM 2046 C VAL A 137 105.514 7.073 -7.734 1.00 0.00 C ATOM 2047 O VAL A 137 104.818 6.163 -7.284 1.00 0.00 O ATOM 2048 CB VAL A 137 106.211 8.319 -5.676 1.00 0.00 C ATOM 2049 CG1 VAL A 137 107.665 7.872 -5.842 1.00 0.00 C ATOM 2050 CG2 VAL A 137 106.188 9.675 -4.965 1.00 0.00 C ATOM 0 H VAL A 137 103.585 8.400 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 137 106.107 9.135 -7.669 1.00 0.00 H new ATOM 0 HB VAL A 137 105.666 7.583 -5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 137 108.134 7.789 -4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 137 107.693 6.903 -6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 137 108.205 8.605 -6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 137 106.666 9.583 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 137 106.726 10.409 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 137 105.156 10.000 -4.834 1.00 0.00 H new ATOM 2060 N GLY A 138 106.270 6.945 -8.822 1.00 0.00 N ATOM 2061 CA GLY A 138 106.383 5.674 -9.532 1.00 0.00 C ATOM 2062 C GLY A 138 107.838 5.229 -9.573 1.00 0.00 C ATOM 2063 O GLY A 138 108.686 5.949 -10.094 1.00 0.00 O ATOM 0 H GLY A 138 106.813 7.706 -9.231 1.00 0.00 H new ATOM 0 HA2 GLY A 138 105.776 4.916 -9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 138 105.997 5.779 -10.546 1.00 0.00 H new ATOM 2067 N THR A 139 108.136 4.059 -9.013 1.00 0.00 N ATOM 2068 CA THR A 139 109.517 3.586 -8.951 1.00 0.00 C ATOM 2069 C THR A 139 109.636 2.123 -9.369 1.00 0.00 C ATOM 2070 O THR A 139 108.756 1.308 -9.087 1.00 0.00 O ATOM 2071 CB THR A 139 110.057 3.772 -7.529 1.00 0.00 C ATOM 2072 OG1 THR A 139 111.419 3.373 -7.485 1.00 0.00 O ATOM 2073 CG2 THR A 139 109.240 2.938 -6.538 1.00 0.00 C ATOM 0 H THR A 139 107.449 3.428 -8.600 1.00 0.00 H new ATOM 0 HA THR A 139 110.108 4.175 -9.653 1.00 0.00 H new ATOM 0 HB THR A 139 109.976 4.823 -7.252 1.00 0.00 H new ATOM 0 HG1 THR A 139 111.897 3.758 -8.249 1.00 0.00 H new ATOM 0 HG21 THR A 139 109.634 3.079 -5.532 1.00 0.00 H new ATOM 0 HG22 THR A 139 108.198 3.256 -6.567 1.00 0.00 H new ATOM 0 HG23 THR A 139 109.306 1.884 -6.809 1.00 0.00 H new ATOM 2081 N TRP A 140 110.735 1.805 -10.045 1.00 0.00 N ATOM 2082 CA TRP A 140 111.049 0.424 -10.397 1.00 0.00 C ATOM 2083 C TRP A 140 112.290 -0.020 -9.631 1.00 0.00 C ATOM 2084 O TRP A 140 113.290 0.699 -9.590 1.00 0.00 O ATOM 2085 CB TRP A 140 111.307 0.310 -11.901 1.00 0.00 C ATOM 2086 CG TRP A 140 110.105 0.619 -12.737 1.00 0.00 C ATOM 2087 CD1 TRP A 140 109.045 -0.203 -12.905 1.00 0.00 C ATOM 2088 CD2 TRP A 140 109.825 1.815 -13.520 1.00 0.00 C ATOM 2089 NE1 TRP A 140 108.129 0.412 -13.739 1.00 0.00 N ATOM 2090 CE2 TRP A 140 108.563 1.657 -14.146 1.00 0.00 C ATOM 2091 CE3 TRP A 140 110.531 3.009 -13.747 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 108.024 2.651 -14.967 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 109.994 4.009 -14.571 1.00 0.00 C ATOM 2094 CH2 TRP A 140 108.744 3.831 -15.180 1.00 0.00 C ATOM 0 H TRP A 140 111.425 2.486 -10.361 1.00 0.00 H new ATOM 0 HA TRP A 140 110.205 -0.214 -10.134 1.00 0.00 H new ATOM 0 HB2 TRP A 140 112.115 0.988 -12.176 1.00 0.00 H new ATOM 0 HB3 TRP A 140 111.648 -0.700 -12.128 1.00 0.00 H new ATOM 0 HD1 TRP A 140 108.932 -1.181 -12.460 1.00 0.00 H new ATOM 0 HE1 TRP A 140 107.241 -0.004 -14.019 1.00 0.00 H new ATOM 0 HE3 TRP A 140 111.495 3.158 -13.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 107.060 2.509 -15.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 110.547 4.922 -14.737 1.00 0.00 H new ATOM 0 HH2 TRP A 140 108.337 4.605 -15.814 1.00 0.00 H new ATOM 2105 N ILE A 141 112.229 -1.202 -9.025 1.00 0.00 N ATOM 2106 CA ILE A 141 113.335 -1.691 -8.205 1.00 0.00 C ATOM 2107 C ILE A 141 113.786 -3.076 -8.666 1.00 0.00 C ATOM 2108 O ILE A 141 112.966 -3.936 -8.989 1.00 0.00 O ATOM 2109 CB ILE A 141 112.900 -1.730 -6.733 1.00 0.00 C ATOM 2110 CG1 ILE A 141 114.069 -2.180 -5.850 1.00 0.00 C ATOM 2111 CG2 ILE A 141 111.727 -2.698 -6.555 1.00 0.00 C ATOM 2112 CD1 ILE A 141 113.712 -1.963 -4.378 1.00 0.00 C ATOM 0 H ILE A 141 111.432 -1.836 -9.085 1.00 0.00 H new ATOM 0 HA ILE A 141 114.181 -1.013 -8.314 1.00 0.00 H new ATOM 0 HB ILE A 141 112.588 -0.728 -6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 141 114.290 -3.232 -6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 141 114.967 -1.617 -6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 141 111.427 -2.717 -5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 141 110.887 -2.368 -7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 141 112.031 -3.698 -6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 141 114.544 -2.283 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 141 113.513 -0.906 -4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 141 112.825 -2.545 -4.129 1.00 0.00 H new ATOM 2124 N ALA A 142 115.099 -3.275 -8.691 1.00 0.00 N ATOM 2125 CA ALA A 142 115.665 -4.582 -9.007 1.00 0.00 C ATOM 2126 C ALA A 142 116.786 -4.904 -8.025 1.00 0.00 C ATOM 2127 O ALA A 142 117.538 -4.010 -7.633 1.00 0.00 O ATOM 2128 CB ALA A 142 116.215 -4.586 -10.435 1.00 0.00 C ATOM 0 H ALA A 142 115.790 -2.550 -8.497 1.00 0.00 H new ATOM 0 HA ALA A 142 114.883 -5.337 -8.927 1.00 0.00 H new ATOM 0 HB1 ALA A 142 116.635 -5.566 -10.660 1.00 0.00 H new ATOM 0 HB2 ALA A 142 115.409 -4.367 -11.136 1.00 0.00 H new ATOM 0 HB3 ALA A 142 116.993 -3.828 -10.527 1.00 0.00 H new ATOM 2134 N GLY A 143 116.885 -6.169 -7.617 1.00 0.00 N ATOM 2135 CA GLY A 143 117.904 -6.551 -6.645 1.00 0.00 C ATOM 2136 C GLY A 143 118.347 -7.999 -6.817 1.00 0.00 C ATOM 2137 O GLY A 143 117.792 -8.740 -7.627 1.00 0.00 O ATOM 0 H GLY A 143 116.286 -6.930 -7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 143 118.767 -5.894 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 143 117.514 -6.409 -5.637 1.00 0.00 H new ATOM 2141 N VAL A 144 119.337 -8.392 -6.020 1.00 0.00 N ATOM 2142 CA VAL A 144 119.877 -9.745 -6.069 1.00 0.00 C ATOM 2143 C VAL A 144 120.035 -10.284 -4.650 1.00 0.00 C ATOM 2144 O VAL A 144 120.246 -9.514 -3.714 1.00 0.00 O ATOM 2145 CB VAL A 144 121.224 -9.745 -6.806 1.00 0.00 C ATOM 2146 CG1 VAL A 144 122.235 -8.869 -6.061 1.00 0.00 C ATOM 2147 CG2 VAL A 144 121.764 -11.174 -6.902 1.00 0.00 C ATOM 0 H VAL A 144 119.783 -7.788 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 144 119.190 -10.393 -6.613 1.00 0.00 H new ATOM 0 HB VAL A 144 121.073 -9.344 -7.808 1.00 0.00 H new ATOM 0 HG11 VAL A 144 123.186 -8.877 -6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 144 121.859 -7.847 -6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 144 122.380 -9.258 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 144 122.720 -11.167 -7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 144 121.903 -11.579 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 144 121.055 -11.795 -7.449 1.00 0.00 H new ATOM 2157 N GLY A 145 119.909 -11.598 -4.491 1.00 0.00 N ATOM 2158 CA GLY A 145 120.010 -12.206 -3.169 1.00 0.00 C ATOM 2159 C GLY A 145 120.764 -13.530 -3.223 1.00 0.00 C ATOM 2160 O GLY A 145 120.857 -14.157 -4.278 1.00 0.00 O ATOM 0 H GLY A 145 119.739 -12.256 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 145 120.520 -11.522 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 145 119.011 -12.370 -2.765 1.00 0.00 H new ATOM 2164 N TYR A 146 121.278 -13.951 -2.069 1.00 0.00 N ATOM 2165 CA TYR A 146 122.030 -15.196 -1.975 1.00 0.00 C ATOM 2166 C TYR A 146 121.535 -16.022 -0.792 1.00 0.00 C ATOM 2167 O TYR A 146 121.177 -15.469 0.249 1.00 0.00 O ATOM 2168 CB TYR A 146 123.520 -14.892 -1.804 1.00 0.00 C ATOM 2169 CG TYR A 146 124.396 -16.123 -1.840 1.00 0.00 C ATOM 2170 CD1 TYR A 146 124.794 -16.663 -3.068 1.00 0.00 C ATOM 2171 CD2 TYR A 146 124.812 -16.721 -0.644 1.00 0.00 C ATOM 2172 CE1 TYR A 146 125.608 -17.801 -3.102 1.00 0.00 C ATOM 2173 CE2 TYR A 146 125.626 -17.860 -0.678 1.00 0.00 C ATOM 2174 CZ TYR A 146 126.025 -18.400 -1.906 1.00 0.00 C ATOM 2175 OH TYR A 146 126.827 -19.522 -1.940 1.00 0.00 O ATOM 0 H TYR A 146 121.186 -13.447 -1.187 1.00 0.00 H new ATOM 0 HA TYR A 146 121.881 -15.766 -2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 146 123.836 -14.208 -2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 146 123.671 -14.376 -0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 146 124.473 -16.201 -3.990 1.00 0.00 H new ATOM 0 HD2 TYR A 146 124.505 -16.304 0.304 1.00 0.00 H new ATOM 0 HE1 TYR A 146 125.915 -18.217 -4.050 1.00 0.00 H new ATOM 0 HE2 TYR A 146 125.946 -18.322 0.244 1.00 0.00 H new ATOM 0 HH TYR A 146 127.026 -19.810 -1.025 1.00 0.00 H new ATOM 2185 N ARG A 147 121.504 -17.339 -0.968 1.00 0.00 N ATOM 2186 CA ARG A 147 121.040 -18.239 0.084 1.00 0.00 C ATOM 2187 C ARG A 147 122.223 -18.762 0.895 1.00 0.00 C ATOM 2188 O ARG A 147 123.279 -19.065 0.340 1.00 0.00 O ATOM 2189 CB ARG A 147 120.300 -19.428 -0.536 1.00 0.00 C ATOM 2190 CG ARG A 147 119.135 -18.937 -1.400 1.00 0.00 C ATOM 2191 CD ARG A 147 118.051 -18.320 -0.514 1.00 0.00 C ATOM 2192 NE ARG A 147 116.882 -17.972 -1.328 1.00 0.00 N ATOM 2193 CZ ARG A 147 115.621 -18.002 -0.871 1.00 0.00 C ATOM 2194 NH1 ARG A 147 115.331 -18.314 0.369 1.00 0.00 N ATOM 2195 NH2 ARG A 147 114.649 -17.701 -1.688 1.00 0.00 N ATOM 0 H ARG A 147 121.794 -17.807 -1.827 1.00 0.00 H new ATOM 0 HA ARG A 147 120.368 -17.685 0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 147 120.988 -20.017 -1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 147 119.927 -20.083 0.251 1.00 0.00 H new ATOM 0 HG2 ARG A 147 119.491 -18.200 -2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 147 118.720 -19.767 -1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 147 117.764 -19.023 0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 147 118.438 -17.430 -0.017 1.00 0.00 H new ATOM 0 HE ARG A 147 117.036 -17.691 -2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 147 116.077 -18.545 1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 147 114.359 -18.325 0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 147 114.855 -17.449 -2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 147 113.683 -17.718 -1.360 1.00 0.00 H new ATOM 2209 N PHE A 148 122.040 -18.869 2.208 1.00 0.00 N ATOM 2210 CA PHE A 148 123.093 -19.390 3.071 1.00 0.00 C ATOM 2211 C PHE A 148 122.493 -20.097 4.283 1.00 0.00 C ATOM 2212 O PHE A 148 121.330 -19.863 4.564 1.00 0.00 O ATOM 2213 CB PHE A 148 123.998 -18.249 3.540 1.00 0.00 C ATOM 2214 CG PHE A 148 125.196 -18.719 4.329 1.00 0.00 C ATOM 2215 CD1 PHE A 148 126.351 -19.146 3.661 1.00 0.00 C ATOM 2216 CD2 PHE A 148 125.153 -18.728 5.729 1.00 0.00 C ATOM 2217 CE1 PHE A 148 127.463 -19.581 4.393 1.00 0.00 C ATOM 2218 CE2 PHE A 148 126.264 -19.164 6.460 1.00 0.00 C ATOM 2219 CZ PHE A 148 127.419 -19.590 5.792 1.00 0.00 C ATOM 2220 OXT PHE A 148 123.207 -20.860 4.912 1.00 0.00 O ATOM 0 H PHE A 148 121.182 -18.605 2.693 1.00 0.00 H new ATOM 0 HA PHE A 148 123.681 -20.108 2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 148 124.342 -17.688 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 148 123.415 -17.562 4.153 1.00 0.00 H new ATOM 0 HD1 PHE A 148 126.384 -19.140 2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 148 124.263 -18.399 6.244 1.00 0.00 H new ATOM 0 HE1 PHE A 148 128.354 -19.909 3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 148 126.231 -19.172 7.539 1.00 0.00 H new ATOM 0 HZ PHE A 148 128.276 -19.926 6.357 1.00 0.00 H new TER 2230 PHE A 148