USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 859 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 117 TYR OH : rot 180:sc= 0.205 USER MOD Set 1.2: A 128 LYS NZ :NH3+ 156:sc= -2.41! (180deg=-6.43!) USER MOD Set 2.1: A 89 CYS SG : rot 131:sc= 1.08 USER MOD Set 2.2: A 95 SER OG : rot -130:sc= 1.39 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.2) USER MOD Single : A 35 TYR OH : rot -120:sc= 1.38 USER MOD Single : A 40 THR OG1 : rot 180:sc= -2.03! USER MOD Single : A 45 SER OG : rot 125:sc= 0.0724 USER MOD Single : A 46 GLN : amide:sc= -19.2! C(o=-19!,f=-22!) USER MOD Single : A 48 HIS :FLIP no HD1:sc= -0.806 F(o=-1.4,f=-0.81) USER MOD Single : A 50 CYS SG : rot 180:sc= -2.53! USER MOD Single : A 54 ASN :FLIP amide:sc= -2.53! C(o=-4.3!,f=-2.5!) USER MOD Single : A 57 TYR OH : rot -25:sc= 0.0533 USER MOD Single : A 58 MET CE :methyl -158:sc= -0.0838 (180deg=-0.685) USER MOD Single : A 59 ASN : amide:sc= -3.45! C(o=-3.5!,f=-8.4!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 151:sc= -0.363 (180deg=-1.6!) USER MOD Single : A 66 SER OG : rot 6:sc= 1.17 USER MOD Single : A 67 LYS NZ :NH3+ 140:sc= -2.13 (180deg=-4.57!) USER MOD Single : A 68 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.15) USER MOD Single : A 69 THR OG1 : rot 84:sc= 0.948 USER MOD Single : A 74 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.38) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -40:sc= 0.874 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -3.63! C(o=-3.6!,f=-5.8!) USER MOD Single : A 82 SER OG : rot 140:sc= -0.0314 USER MOD Single : A 84 ASN :FLIP amide:sc= 0.542 F(o=-5.2!,f=0.54) USER MOD Single : A 90 GLN : amide:sc= -3.75! C(o=-3.7!,f=-5.2!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 142:sc= -1.63 (180deg=-2.22!) USER MOD Single : A 99 THR OG1 : rot -150:sc= -0.668 USER MOD Single : A 100 THR OG1 : rot 104:sc= 0.6 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 108 THR OG1 : rot 30:sc= -5.02! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.399) USER MOD Single : A 123 ASN : amide:sc= -0.835 X(o=-0.84,f=-1.1) USER MOD Single : A 127 THR OG1 : rot 28:sc= -2.25! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 11 -5.471 17.001 2.421 1.00 0.00 N ATOM 2 CA ALA A 11 -6.489 16.185 1.715 1.00 0.00 C ATOM 3 C ALA A 11 -7.848 16.430 2.341 1.00 0.00 C ATOM 4 O ALA A 11 -8.584 17.306 1.955 1.00 0.00 O ATOM 5 CB ALA A 11 -6.088 14.653 1.847 1.00 0.00 C ATOM 0 HA ALA A 11 -6.535 16.459 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.827 14.038 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.108 14.494 1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.054 14.375 2.900 1.00 0.00 H new ATOM 11 N GLU A 12 -8.162 15.666 3.321 1.00 0.00 N ATOM 12 CA GLU A 12 -9.454 15.836 4.027 1.00 0.00 C ATOM 13 C GLU A 12 -10.593 15.619 3.045 1.00 0.00 C ATOM 14 O GLU A 12 -11.681 16.118 3.205 1.00 0.00 O ATOM 15 CB GLU A 12 -9.545 17.234 4.646 1.00 0.00 C ATOM 16 CG GLU A 12 -8.293 17.546 5.472 1.00 0.00 C ATOM 17 CD GLU A 12 -8.492 18.875 6.213 1.00 0.00 C ATOM 18 OE1 GLU A 12 -9.462 19.549 5.933 1.00 0.00 O ATOM 19 OE2 GLU A 12 -7.668 19.197 7.047 1.00 0.00 O ATOM 0 H GLU A 12 -7.574 14.913 3.678 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.524 15.103 4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.661 17.978 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.430 17.299 5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.105 16.744 6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.420 17.606 4.822 1.00 0.00 H new ATOM 26 N GLU A 13 -10.338 14.889 2.011 1.00 0.00 N ATOM 27 CA GLU A 13 -11.399 14.630 0.997 1.00 0.00 C ATOM 28 C GLU A 13 -12.266 13.457 1.447 1.00 0.00 C ATOM 29 O GLU A 13 -12.871 12.765 0.665 1.00 0.00 O ATOM 30 CB GLU A 13 -10.747 14.293 -0.353 1.00 0.00 C ATOM 31 CG GLU A 13 -9.486 13.452 -0.126 1.00 0.00 C ATOM 32 CD GLU A 13 -9.841 12.165 0.627 1.00 0.00 C ATOM 33 OE1 GLU A 13 -10.856 11.578 0.312 1.00 0.00 O ATOM 34 OE2 GLU A 13 -9.099 11.795 1.516 1.00 0.00 O ATOM 0 H GLU A 13 -9.437 14.454 1.815 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.020 15.520 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.451 13.747 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.492 15.211 -0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.025 13.207 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.754 14.026 0.443 1.00 0.00 H new ATOM 41 N SER A 14 -12.323 13.241 2.714 1.00 0.00 N ATOM 42 CA SER A 14 -13.137 12.119 3.276 1.00 0.00 C ATOM 43 C SER A 14 -12.292 10.847 3.189 1.00 0.00 C ATOM 44 O SER A 14 -11.221 10.829 2.633 1.00 0.00 O ATOM 45 CB SER A 14 -14.439 11.959 2.487 1.00 0.00 C ATOM 46 OG SER A 14 -15.446 11.472 3.362 1.00 0.00 O ATOM 0 H SER A 14 -11.833 13.800 3.412 1.00 0.00 H new ATOM 0 HA SER A 14 -13.406 12.322 4.313 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.741 12.915 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.295 11.269 1.656 1.00 0.00 H new ATOM 0 HG SER A 14 -16.286 11.367 2.868 1.00 0.00 H new ATOM 52 N ARG A 15 -12.775 9.785 3.766 1.00 0.00 N ATOM 53 CA ARG A 15 -12.015 8.492 3.758 1.00 0.00 C ATOM 54 C ARG A 15 -12.742 7.474 2.894 1.00 0.00 C ATOM 55 O ARG A 15 -13.728 6.892 3.277 1.00 0.00 O ATOM 56 CB ARG A 15 -11.856 7.941 5.178 1.00 0.00 C ATOM 57 CG ARG A 15 -10.423 8.167 5.609 1.00 0.00 C ATOM 58 CD ARG A 15 -10.129 9.614 5.906 1.00 0.00 C ATOM 59 NE ARG A 15 -8.624 9.795 6.178 1.00 0.00 N ATOM 60 CZ ARG A 15 -8.188 10.987 5.834 1.00 0.00 C ATOM 61 NH1 ARG A 15 -8.281 11.081 4.628 1.00 0.00 N ATOM 62 NH2 ARG A 15 -7.028 10.941 6.297 1.00 0.00 N ATOM 0 H ARG A 15 -13.672 9.750 4.249 1.00 0.00 H new ATOM 0 HA ARG A 15 -11.023 8.680 3.348 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.543 8.442 5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -12.099 6.879 5.204 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.216 7.568 6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.752 7.817 4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.433 10.237 5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.706 9.942 6.770 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.030 9.070 6.581 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.649 10.302 4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.991 11.939 4.159 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.704 10.103 6.780 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.405 11.742 6.192 1.00 0.00 H new ATOM 76 N VAL A 16 -12.256 7.266 1.716 1.00 0.00 N ATOM 77 CA VAL A 16 -12.913 6.296 0.798 1.00 0.00 C ATOM 78 C VAL A 16 -11.852 5.364 0.224 1.00 0.00 C ATOM 79 O VAL A 16 -10.680 5.524 0.473 1.00 0.00 O ATOM 80 CB VAL A 16 -13.602 7.074 -0.317 1.00 0.00 C ATOM 81 CG1 VAL A 16 -14.164 8.450 0.245 1.00 0.00 C ATOM 82 CG2 VAL A 16 -12.523 7.404 -1.441 1.00 0.00 C ATOM 0 H VAL A 16 -11.427 7.725 1.340 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.655 5.700 1.330 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.422 6.479 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -14.654 8.998 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.883 8.252 1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.341 9.045 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.998 7.961 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.720 8.002 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.112 6.474 -1.835 1.00 0.00 H new ATOM 92 N PRO A 17 -12.268 4.376 -0.506 1.00 0.00 N ATOM 93 CA PRO A 17 -11.331 3.411 -1.119 1.00 0.00 C ATOM 94 C PRO A 17 -10.874 3.876 -2.487 1.00 0.00 C ATOM 95 O PRO A 17 -11.347 3.450 -3.519 1.00 0.00 O ATOM 96 CB PRO A 17 -12.142 2.102 -1.174 1.00 0.00 C ATOM 97 CG PRO A 17 -13.585 2.473 -1.057 1.00 0.00 C ATOM 98 CD PRO A 17 -13.675 3.993 -0.857 1.00 0.00 C ATOM 0 HA PRO A 17 -10.406 3.292 -0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -11.955 1.572 -2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -11.849 1.433 -0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.128 2.175 -1.954 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.045 1.951 -0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -14.017 4.499 -1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.374 4.254 -0.062 1.00 0.00 H new ATOM 106 N SER A 18 -9.950 4.790 -2.495 1.00 0.00 N ATOM 107 CA SER A 18 -9.433 5.341 -3.781 1.00 0.00 C ATOM 108 C SER A 18 -8.509 4.327 -4.439 1.00 0.00 C ATOM 109 O SER A 18 -7.790 3.601 -3.793 1.00 0.00 O ATOM 110 CB SER A 18 -8.663 6.640 -3.524 1.00 0.00 C ATOM 111 OG SER A 18 -8.252 7.202 -4.757 1.00 0.00 O ATOM 0 H SER A 18 -9.524 5.186 -1.657 1.00 0.00 H new ATOM 0 HA SER A 18 -10.276 5.548 -4.441 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.293 7.346 -2.983 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.794 6.441 -2.896 1.00 0.00 H new ATOM 0 HG SER A 18 -7.761 8.034 -4.590 1.00 0.00 H new ATOM 117 N SER A 19 -8.538 4.268 -5.727 1.00 0.00 N ATOM 118 CA SER A 19 -7.671 3.302 -6.466 1.00 0.00 C ATOM 119 C SER A 19 -6.452 4.023 -7.008 1.00 0.00 C ATOM 120 O SER A 19 -6.456 5.200 -7.276 1.00 0.00 O ATOM 121 CB SER A 19 -8.465 2.696 -7.622 1.00 0.00 C ATOM 122 OG SER A 19 -8.706 3.679 -8.617 1.00 0.00 O ATOM 0 H SER A 19 -9.130 4.852 -6.318 1.00 0.00 H new ATOM 0 HA SER A 19 -7.348 2.510 -5.790 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.914 1.859 -8.052 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.412 2.300 -7.255 1.00 0.00 H new ATOM 0 HG SER A 19 -9.214 3.280 -9.354 1.00 0.00 H new ATOM 128 N VAL A 20 -5.388 3.315 -7.150 1.00 0.00 N ATOM 129 CA VAL A 20 -4.144 3.938 -7.643 1.00 0.00 C ATOM 130 C VAL A 20 -3.317 2.896 -8.395 1.00 0.00 C ATOM 131 O VAL A 20 -3.655 1.742 -8.454 1.00 0.00 O ATOM 132 CB VAL A 20 -3.383 4.504 -6.444 1.00 0.00 C ATOM 133 CG1 VAL A 20 -3.746 3.709 -5.110 1.00 0.00 C ATOM 134 CG2 VAL A 20 -1.826 4.342 -6.686 1.00 0.00 C ATOM 0 H VAL A 20 -5.321 2.318 -6.944 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.361 4.750 -8.336 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.661 5.552 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.191 4.132 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.815 3.793 -4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.480 2.659 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.281 4.745 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.584 3.286 -6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.540 4.884 -7.588 1.00 0.00 H new ATOM 144 N SER A 21 -2.244 3.300 -9.002 1.00 0.00 N ATOM 145 CA SER A 21 -1.399 2.321 -9.759 1.00 0.00 C ATOM 146 C SER A 21 -0.101 2.090 -9.011 1.00 0.00 C ATOM 147 O SER A 21 0.254 2.813 -8.108 1.00 0.00 O ATOM 148 CB SER A 21 -1.094 2.877 -11.157 1.00 0.00 C ATOM 149 OG SER A 21 -2.095 2.433 -12.065 1.00 0.00 O ATOM 0 H SER A 21 -1.908 4.263 -9.012 1.00 0.00 H new ATOM 0 HA SER A 21 -1.936 1.377 -9.855 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.067 3.966 -11.130 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.111 2.542 -11.488 1.00 0.00 H new ATOM 0 HG SER A 21 -1.906 2.787 -12.959 1.00 0.00 H new ATOM 155 N VAL A 22 0.599 1.093 -9.375 1.00 0.00 N ATOM 156 CA VAL A 22 1.869 0.777 -8.688 1.00 0.00 C ATOM 157 C VAL A 22 2.837 1.938 -8.891 1.00 0.00 C ATOM 158 O VAL A 22 3.659 2.249 -8.050 1.00 0.00 O ATOM 159 CB VAL A 22 2.416 -0.519 -9.294 1.00 0.00 C ATOM 160 CG1 VAL A 22 3.941 -0.716 -8.876 1.00 0.00 C ATOM 161 CG2 VAL A 22 1.587 -1.750 -8.755 1.00 0.00 C ATOM 0 H VAL A 22 0.352 0.460 -10.136 1.00 0.00 H new ATOM 0 HA VAL A 22 1.726 0.638 -7.616 1.00 0.00 H new ATOM 0 HB VAL A 22 2.335 -0.457 -10.379 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.321 -1.640 -9.312 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.530 0.126 -9.240 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.017 -0.769 -7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.979 -2.670 -9.188 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.669 -1.796 -7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.540 -1.634 -9.035 1.00 0.00 H new ATOM 171 N THR A 23 2.717 2.619 -9.984 1.00 0.00 N ATOM 172 CA THR A 23 3.637 3.764 -10.260 1.00 0.00 C ATOM 173 C THR A 23 3.570 4.755 -9.091 1.00 0.00 C ATOM 174 O THR A 23 4.564 5.187 -8.571 1.00 0.00 O ATOM 175 CB THR A 23 3.206 4.489 -11.542 1.00 0.00 C ATOM 176 OG1 THR A 23 4.065 5.581 -11.734 1.00 0.00 O ATOM 177 CG2 THR A 23 1.717 5.032 -11.379 1.00 0.00 C ATOM 0 H THR A 23 2.021 2.439 -10.708 1.00 0.00 H new ATOM 0 HA THR A 23 4.651 3.384 -10.380 1.00 0.00 H new ATOM 0 HB THR A 23 3.250 3.805 -12.389 1.00 0.00 H new ATOM 0 HG1 THR A 23 3.809 6.059 -12.550 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.415 5.546 -12.292 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.043 4.196 -11.194 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.673 5.726 -10.540 1.00 0.00 H new ATOM 185 N VAL A 24 2.394 5.114 -8.656 1.00 0.00 N ATOM 186 CA VAL A 24 2.298 6.079 -7.520 1.00 0.00 C ATOM 187 C VAL A 24 2.771 5.406 -6.245 1.00 0.00 C ATOM 188 O VAL A 24 3.460 5.975 -5.441 1.00 0.00 O ATOM 189 CB VAL A 24 0.842 6.547 -7.348 1.00 0.00 C ATOM 190 CG1 VAL A 24 0.840 8.007 -6.722 1.00 0.00 C ATOM 191 CG2 VAL A 24 0.092 6.639 -8.762 1.00 0.00 C ATOM 0 H VAL A 24 1.504 4.787 -9.031 1.00 0.00 H new ATOM 0 HA VAL A 24 2.926 6.944 -7.731 1.00 0.00 H new ATOM 0 HB VAL A 24 0.332 5.828 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.188 8.348 -6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.337 7.988 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.369 8.689 -7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.934 6.972 -8.608 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.612 7.350 -9.404 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.088 5.658 -9.236 1.00 0.00 H new ATOM 201 N ALA A 25 2.427 4.178 -6.067 1.00 0.00 N ATOM 202 CA ALA A 25 2.864 3.453 -4.849 1.00 0.00 C ATOM 203 C ALA A 25 4.378 3.620 -4.705 1.00 0.00 C ATOM 204 O ALA A 25 4.907 3.729 -3.617 1.00 0.00 O ATOM 205 CB ALA A 25 2.528 1.906 -5.027 1.00 0.00 C ATOM 0 H ALA A 25 1.857 3.634 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 25 2.356 3.845 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.844 1.360 -4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.454 1.781 -5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.055 1.517 -5.898 1.00 0.00 H new ATOM 211 N HIS A 26 5.078 3.633 -5.793 1.00 0.00 N ATOM 212 CA HIS A 26 6.559 3.793 -5.727 1.00 0.00 C ATOM 213 C HIS A 26 6.858 5.131 -5.059 1.00 0.00 C ATOM 214 O HIS A 26 7.628 5.217 -4.132 1.00 0.00 O ATOM 215 CB HIS A 26 7.121 3.747 -7.159 1.00 0.00 C ATOM 216 CG HIS A 26 8.633 3.770 -7.163 1.00 0.00 C ATOM 217 ND1 HIS A 26 9.398 2.712 -6.691 1.00 0.00 N ATOM 218 CD2 HIS A 26 9.528 4.690 -7.649 1.00 0.00 C ATOM 219 CE1 HIS A 26 10.693 3.023 -6.909 1.00 0.00 C ATOM 220 NE2 HIS A 26 10.830 4.210 -7.487 1.00 0.00 N ATOM 0 H HIS A 26 4.693 3.540 -6.733 1.00 0.00 H new ATOM 0 HA HIS A 26 7.025 2.995 -5.148 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.769 2.846 -7.660 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.742 4.596 -7.727 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.266 5.640 -8.090 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.521 2.382 -6.644 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.699 4.672 -7.755 1.00 0.00 H new ATOM 229 N ASP A 27 6.219 6.180 -5.498 1.00 0.00 N ATOM 230 CA ASP A 27 6.438 7.524 -4.856 1.00 0.00 C ATOM 231 C ASP A 27 6.053 7.431 -3.384 1.00 0.00 C ATOM 232 O ASP A 27 6.642 8.047 -2.528 1.00 0.00 O ATOM 233 CB ASP A 27 5.520 8.576 -5.497 1.00 0.00 C ATOM 234 CG ASP A 27 5.837 9.987 -4.989 1.00 0.00 C ATOM 235 OD1 ASP A 27 6.731 10.130 -4.181 1.00 0.00 O ATOM 236 OD2 ASP A 27 5.154 10.902 -5.406 1.00 0.00 O ATOM 0 H ASP A 27 5.554 6.173 -6.272 1.00 0.00 H new ATOM 0 HA ASP A 27 7.483 7.806 -4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.632 8.545 -6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.480 8.335 -5.277 1.00 0.00 H new ATOM 241 N LEU A 28 5.041 6.673 -3.095 1.00 0.00 N ATOM 242 CA LEU A 28 4.581 6.533 -1.687 1.00 0.00 C ATOM 243 C LEU A 28 5.481 5.518 -0.978 1.00 0.00 C ATOM 244 O LEU A 28 5.664 5.554 0.218 1.00 0.00 O ATOM 245 CB LEU A 28 3.117 6.067 -1.705 1.00 0.00 C ATOM 246 CG LEU A 28 2.257 7.006 -2.553 1.00 0.00 C ATOM 247 CD1 LEU A 28 0.803 6.369 -2.696 1.00 0.00 C ATOM 248 CD2 LEU A 28 2.086 8.406 -1.789 1.00 0.00 C ATOM 0 H LEU A 28 4.505 6.138 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 28 4.641 7.480 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.058 5.054 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.729 6.032 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 28 2.729 7.151 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.176 7.026 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.878 5.395 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.359 6.250 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.473 9.077 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.602 8.239 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.066 8.855 -1.629 1.00 0.00 H new ATOM 260 N LEU A 29 6.075 4.636 -1.725 1.00 0.00 N ATOM 261 CA LEU A 29 6.991 3.611 -1.129 1.00 0.00 C ATOM 262 C LEU A 29 8.171 4.361 -0.474 1.00 0.00 C ATOM 263 O LEU A 29 8.586 4.062 0.624 1.00 0.00 O ATOM 264 CB LEU A 29 7.500 2.697 -2.277 1.00 0.00 C ATOM 265 CG LEU A 29 8.272 1.466 -1.759 1.00 0.00 C ATOM 266 CD1 LEU A 29 8.254 0.301 -2.838 1.00 0.00 C ATOM 267 CD2 LEU A 29 9.785 1.831 -1.437 1.00 0.00 C ATOM 0 H LEU A 29 5.968 4.575 -2.738 1.00 0.00 H new ATOM 0 HA LEU A 29 6.486 3.000 -0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.651 2.364 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.147 3.275 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 29 7.777 1.136 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.804 -0.559 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.224 0.011 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.723 0.650 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.304 0.944 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.273 2.192 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.817 2.608 -0.673 1.00 0.00 H new ATOM 279 N LEU A 30 8.703 5.351 -1.136 1.00 0.00 N ATOM 280 CA LEU A 30 9.848 6.137 -0.560 1.00 0.00 C ATOM 281 C LEU A 30 9.257 7.152 0.438 1.00 0.00 C ATOM 282 O LEU A 30 9.947 7.733 1.244 1.00 0.00 O ATOM 283 CB LEU A 30 10.578 6.892 -1.698 1.00 0.00 C ATOM 284 CG LEU A 30 9.629 7.828 -2.479 1.00 0.00 C ATOM 285 CD1 LEU A 30 9.204 9.083 -1.615 1.00 0.00 C ATOM 286 CD2 LEU A 30 10.324 8.353 -3.808 1.00 0.00 C ATOM 0 H LEU A 30 8.396 5.657 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 30 10.560 5.478 -0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.397 7.476 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.021 6.171 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 30 8.743 7.242 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.537 9.717 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.690 8.747 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.092 9.650 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.638 9.010 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.229 8.904 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.582 7.505 -4.443 1.00 0.00 H new ATOM 298 N ALA A 31 7.976 7.356 0.392 1.00 0.00 N ATOM 299 CA ALA A 31 7.337 8.313 1.346 1.00 0.00 C ATOM 300 C ALA A 31 7.441 7.732 2.753 1.00 0.00 C ATOM 301 O ALA A 31 7.477 8.430 3.735 1.00 0.00 O ATOM 302 CB ALA A 31 5.805 8.500 0.952 1.00 0.00 C ATOM 0 H ALA A 31 7.338 6.904 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 31 7.836 9.281 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.334 9.197 1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.736 8.893 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.296 7.538 1.004 1.00 0.00 H new ATOM 308 N GLY A 32 7.494 6.435 2.850 1.00 0.00 N ATOM 309 CA GLY A 32 7.610 5.770 4.184 1.00 0.00 C ATOM 310 C GLY A 32 6.231 5.664 4.828 1.00 0.00 C ATOM 311 O GLY A 32 6.044 5.988 5.979 1.00 0.00 O ATOM 0 H GLY A 32 7.462 5.797 2.055 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.046 4.777 4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.280 6.340 4.828 1.00 0.00 H new ATOM 315 N HIS A 33 5.268 5.212 4.095 1.00 0.00 N ATOM 316 CA HIS A 33 3.895 5.076 4.662 1.00 0.00 C ATOM 317 C HIS A 33 3.499 3.599 4.698 1.00 0.00 C ATOM 318 O HIS A 33 4.107 2.763 4.070 1.00 0.00 O ATOM 319 CB HIS A 33 2.914 5.871 3.799 1.00 0.00 C ATOM 320 CG HIS A 33 3.123 7.352 4.001 1.00 0.00 C ATOM 321 ND1 HIS A 33 3.530 7.903 5.212 1.00 0.00 N ATOM 322 CD2 HIS A 33 3.012 8.402 3.131 1.00 0.00 C ATOM 323 CE1 HIS A 33 3.650 9.235 5.024 1.00 0.00 C ATOM 324 NE2 HIS A 33 3.349 9.592 3.781 1.00 0.00 N ATOM 0 H HIS A 33 5.364 4.927 3.120 1.00 0.00 H new ATOM 0 HA HIS A 33 3.873 5.468 5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.054 5.617 2.748 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.890 5.602 4.058 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.709 8.323 2.097 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.955 9.928 5.794 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.361 10.532 3.386 1.00 0.00 H new ATOM 333 N ARG A 34 2.490 3.283 5.452 1.00 0.00 N ATOM 334 CA ARG A 34 2.027 1.861 5.573 1.00 0.00 C ATOM 335 C ARG A 34 1.620 1.333 4.204 1.00 0.00 C ATOM 336 O ARG A 34 0.910 1.960 3.454 1.00 0.00 O ATOM 337 CB ARG A 34 0.851 1.782 6.564 1.00 0.00 C ATOM 338 CG ARG A 34 1.339 2.051 8.056 1.00 0.00 C ATOM 339 CD ARG A 34 1.934 0.749 8.721 1.00 0.00 C ATOM 340 NE ARG A 34 0.889 -0.425 9.035 1.00 0.00 N ATOM 341 CZ ARG A 34 1.478 -1.536 9.477 1.00 0.00 C ATOM 342 NH1 ARG A 34 2.180 -2.023 8.611 1.00 0.00 N ATOM 343 NH2 ARG A 34 0.489 -2.226 9.827 1.00 0.00 N ATOM 0 H ARG A 34 1.953 3.954 6.001 1.00 0.00 H new ATOM 0 HA ARG A 34 2.840 1.242 5.952 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.090 2.513 6.290 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.385 0.799 6.502 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.094 2.837 8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.502 2.414 8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.708 0.352 8.065 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.421 1.033 9.654 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.119 -0.332 8.910 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.249 -1.574 7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.699 -2.881 8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.455 -1.855 9.721 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.630 -3.158 10.217 1.00 0.00 H new ATOM 357 N TYR A 35 2.091 0.178 3.873 1.00 0.00 N ATOM 358 CA TYR A 35 1.785 -0.432 2.548 1.00 0.00 C ATOM 359 C TYR A 35 1.025 -1.752 2.769 1.00 0.00 C ATOM 360 O TYR A 35 1.574 -2.732 3.210 1.00 0.00 O ATOM 361 CB TYR A 35 3.098 -0.719 1.828 1.00 0.00 C ATOM 362 CG TYR A 35 4.052 0.468 1.939 1.00 0.00 C ATOM 363 CD1 TYR A 35 3.725 1.712 1.366 1.00 0.00 C ATOM 364 CD2 TYR A 35 5.281 0.317 2.611 1.00 0.00 C ATOM 365 CE1 TYR A 35 4.627 2.780 1.448 1.00 0.00 C ATOM 366 CE2 TYR A 35 6.179 1.384 2.685 1.00 0.00 C ATOM 367 CZ TYR A 35 5.853 2.625 2.117 1.00 0.00 C ATOM 368 OH TYR A 35 6.746 3.677 2.189 1.00 0.00 O ATOM 0 H TYR A 35 2.690 -0.389 4.473 1.00 0.00 H new ATOM 0 HA TYR A 35 1.175 0.246 1.951 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.565 -1.607 2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.902 -0.936 0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.778 1.842 0.863 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.530 -0.628 3.071 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.379 3.728 0.994 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.129 1.253 3.182 1.00 0.00 H new ATOM 0 HH TYR A 35 7.589 3.420 1.761 1.00 0.00 H new ATOM 378 N LEU A 36 -0.235 -1.780 2.473 1.00 0.00 N ATOM 379 CA LEU A 36 -1.035 -3.028 2.661 1.00 0.00 C ATOM 380 C LEU A 36 -1.230 -3.694 1.294 1.00 0.00 C ATOM 381 O LEU A 36 -1.550 -3.059 0.313 1.00 0.00 O ATOM 382 CB LEU A 36 -2.381 -2.619 3.297 1.00 0.00 C ATOM 383 CG LEU A 36 -3.075 -3.794 4.010 1.00 0.00 C ATOM 384 CD1 LEU A 36 -2.748 -5.141 3.234 1.00 0.00 C ATOM 385 CD2 LEU A 36 -2.534 -3.931 5.503 1.00 0.00 C ATOM 0 H LEU A 36 -0.759 -0.986 2.104 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.536 -3.745 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.212 -1.813 4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.041 -2.226 2.523 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.149 -3.610 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.237 -5.977 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.112 -5.068 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.670 -5.303 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.033 -4.766 5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.459 -4.110 5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.740 -3.011 6.050 1.00 0.00 H new ATOM 397 N ASP A 37 -1.008 -4.959 1.226 1.00 0.00 N ATOM 398 CA ASP A 37 -1.147 -5.696 -0.067 1.00 0.00 C ATOM 399 C ASP A 37 -1.619 -7.109 0.244 1.00 0.00 C ATOM 400 O ASP A 37 -0.896 -7.913 0.771 1.00 0.00 O ATOM 401 CB ASP A 37 0.223 -5.790 -0.763 1.00 0.00 C ATOM 402 CG ASP A 37 0.107 -6.499 -2.120 1.00 0.00 C ATOM 403 OD1 ASP A 37 -0.190 -5.827 -3.087 1.00 0.00 O ATOM 404 OD2 ASP A 37 0.335 -7.691 -2.173 1.00 0.00 O ATOM 0 H ASP A 37 -0.730 -5.537 2.019 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.853 -5.175 -0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.631 -4.789 -0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.922 -6.331 -0.125 1.00 0.00 H new ATOM 409 N VAL A 38 -2.809 -7.427 -0.115 1.00 0.00 N ATOM 410 CA VAL A 38 -3.308 -8.808 0.109 1.00 0.00 C ATOM 411 C VAL A 38 -2.822 -9.677 -1.038 1.00 0.00 C ATOM 412 O VAL A 38 -3.315 -9.626 -2.144 1.00 0.00 O ATOM 413 CB VAL A 38 -4.843 -8.822 0.185 1.00 0.00 C ATOM 414 CG1 VAL A 38 -5.398 -7.731 -0.835 1.00 0.00 C ATOM 415 CG2 VAL A 38 -5.399 -10.239 -0.276 1.00 0.00 C ATOM 0 H VAL A 38 -3.472 -6.792 -0.559 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.929 -9.193 1.056 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.157 -8.616 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.487 -7.721 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.017 -6.748 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.070 -7.977 -1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.487 -10.239 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.090 -10.435 -1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.001 -11.016 0.377 1.00 0.00 H new ATOM 425 N ARG A 39 -1.832 -10.468 -0.770 1.00 0.00 N ATOM 426 CA ARG A 39 -1.250 -11.352 -1.824 1.00 0.00 C ATOM 427 C ARG A 39 -2.099 -12.613 -1.878 1.00 0.00 C ATOM 428 O ARG A 39 -2.429 -13.112 -2.928 1.00 0.00 O ATOM 429 CB ARG A 39 0.184 -11.738 -1.445 1.00 0.00 C ATOM 430 CG ARG A 39 0.826 -12.526 -2.632 1.00 0.00 C ATOM 431 CD ARG A 39 2.337 -12.861 -2.379 1.00 0.00 C ATOM 432 NE ARG A 39 2.698 -13.937 -1.295 1.00 0.00 N ATOM 433 CZ ARG A 39 3.836 -14.594 -1.602 1.00 0.00 C ATOM 434 NH1 ARG A 39 4.796 -13.855 -1.548 1.00 0.00 N ATOM 435 NH2 ARG A 39 3.807 -15.509 -0.738 1.00 0.00 N ATOM 0 H ARG A 39 -1.390 -10.546 0.146 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.237 -10.839 -2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.769 -10.845 -1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.184 -12.349 -0.543 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.273 -13.452 -2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.735 -11.939 -3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.766 -13.189 -3.326 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.840 -11.934 -2.105 1.00 0.00 H new ATOM 0 HE ARG A 39 2.140 -14.118 -0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.671 -12.875 -1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.728 -14.214 -1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.034 -15.559 -0.074 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.556 -16.200 -0.702 1.00 0.00 H new ATOM 449 N THR A 40 -2.449 -13.141 -0.742 1.00 0.00 N ATOM 450 CA THR A 40 -3.263 -14.390 -0.737 1.00 0.00 C ATOM 451 C THR A 40 -3.572 -14.807 0.705 1.00 0.00 C ATOM 452 O THR A 40 -3.070 -14.237 1.644 1.00 0.00 O ATOM 453 CB THR A 40 -2.425 -15.456 -1.435 1.00 0.00 C ATOM 454 OG1 THR A 40 -1.131 -14.924 -1.642 1.00 0.00 O ATOM 455 CG2 THR A 40 -3.088 -15.810 -2.833 1.00 0.00 C ATOM 0 H THR A 40 -2.211 -12.768 0.177 1.00 0.00 H new ATOM 0 HA THR A 40 -4.215 -14.248 -1.248 1.00 0.00 H new ATOM 0 HB THR A 40 -2.369 -16.361 -0.830 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.570 -15.592 -2.089 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.492 -16.572 -3.336 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.098 -16.187 -2.672 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.130 -14.914 -3.453 1.00 0.00 H new ATOM 463 N PRO A 41 -4.435 -15.770 0.875 1.00 0.00 N ATOM 464 CA PRO A 41 -4.818 -16.250 2.224 1.00 0.00 C ATOM 465 C PRO A 41 -3.601 -16.671 3.019 1.00 0.00 C ATOM 466 O PRO A 41 -2.529 -16.122 2.907 1.00 0.00 O ATOM 467 CB PRO A 41 -5.747 -17.438 1.935 1.00 0.00 C ATOM 468 CG PRO A 41 -6.189 -17.315 0.512 1.00 0.00 C ATOM 469 CD PRO A 41 -5.152 -16.468 -0.239 1.00 0.00 C ATOM 0 HA PRO A 41 -5.301 -15.482 2.828 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.227 -18.382 2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.605 -17.428 2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.278 -18.300 0.055 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.173 -16.848 0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.477 -17.085 -0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.623 -15.762 -0.923 1.00 0.00 H new ATOM 477 N GLU A 42 -3.753 -17.675 3.826 1.00 0.00 N ATOM 478 CA GLU A 42 -2.609 -18.163 4.645 1.00 0.00 C ATOM 479 C GLU A 42 -1.472 -18.560 3.704 1.00 0.00 C ATOM 480 O GLU A 42 -0.323 -18.586 4.076 1.00 0.00 O ATOM 481 CB GLU A 42 -3.047 -19.387 5.457 1.00 0.00 C ATOM 482 CG GLU A 42 -3.389 -20.534 4.502 1.00 0.00 C ATOM 483 CD GLU A 42 -4.100 -21.656 5.267 1.00 0.00 C ATOM 484 OE1 GLU A 42 -4.260 -21.519 6.463 1.00 0.00 O ATOM 485 OE2 GLU A 42 -4.461 -22.635 4.646 1.00 0.00 O ATOM 0 H GLU A 42 -4.626 -18.185 3.957 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.277 -17.380 5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.251 -19.690 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.913 -19.139 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.027 -20.170 3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.479 -20.917 4.040 1.00 0.00 H new ATOM 492 N GLU A 43 -1.783 -18.870 2.479 1.00 0.00 N ATOM 493 CA GLU A 43 -0.710 -19.251 1.502 1.00 0.00 C ATOM 494 C GLU A 43 0.390 -18.187 1.530 1.00 0.00 C ATOM 495 O GLU A 43 1.545 -18.455 1.305 1.00 0.00 O ATOM 496 CB GLU A 43 -1.311 -19.333 0.090 1.00 0.00 C ATOM 497 CG GLU A 43 -2.224 -20.559 -0.018 1.00 0.00 C ATOM 498 CD GLU A 43 -2.776 -20.678 -1.440 1.00 0.00 C ATOM 499 OE1 GLU A 43 -2.617 -19.744 -2.199 1.00 0.00 O ATOM 500 OE2 GLU A 43 -3.342 -21.708 -1.750 1.00 0.00 O ATOM 0 H GLU A 43 -2.732 -18.878 2.105 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.291 -20.220 1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.877 -18.427 -0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.514 -19.396 -0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.668 -21.460 0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.045 -20.475 0.694 1.00 0.00 H new ATOM 507 N PHE A 44 0.023 -16.981 1.821 1.00 0.00 N ATOM 508 CA PHE A 44 1.013 -15.861 1.936 1.00 0.00 C ATOM 509 C PHE A 44 1.723 -15.964 3.286 1.00 0.00 C ATOM 510 O PHE A 44 2.870 -15.608 3.441 1.00 0.00 O ATOM 511 CB PHE A 44 0.230 -14.550 1.891 1.00 0.00 C ATOM 512 CG PHE A 44 0.328 -13.782 3.190 1.00 0.00 C ATOM 513 CD1 PHE A 44 -0.359 -14.214 4.334 1.00 0.00 C ATOM 514 CD2 PHE A 44 1.112 -12.613 3.239 1.00 0.00 C ATOM 515 CE1 PHE A 44 -0.278 -13.471 5.517 1.00 0.00 C ATOM 516 CE2 PHE A 44 1.189 -11.871 4.419 1.00 0.00 C ATOM 517 CZ PHE A 44 0.506 -12.304 5.566 1.00 0.00 C ATOM 0 H PHE A 44 -0.945 -16.706 1.990 1.00 0.00 H new ATOM 0 HA PHE A 44 1.747 -15.906 1.131 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.606 -13.932 1.076 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.817 -14.761 1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.949 -15.118 4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.654 -12.290 2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.819 -13.794 6.394 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.774 -10.964 4.449 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.582 -11.742 6.485 1.00 0.00 H new ATOM 527 N SER A 45 1.028 -16.444 4.275 1.00 0.00 N ATOM 528 CA SER A 45 1.632 -16.570 5.640 1.00 0.00 C ATOM 529 C SER A 45 2.984 -17.254 5.523 1.00 0.00 C ATOM 530 O SER A 45 3.817 -17.166 6.395 1.00 0.00 O ATOM 531 CB SER A 45 0.714 -17.410 6.533 1.00 0.00 C ATOM 532 OG SER A 45 1.168 -17.342 7.875 1.00 0.00 O ATOM 0 H SER A 45 0.060 -16.758 4.202 1.00 0.00 H new ATOM 0 HA SER A 45 1.754 -15.580 6.079 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.311 -17.044 6.466 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.706 -18.445 6.193 1.00 0.00 H new ATOM 0 HG SER A 45 0.437 -17.038 8.453 1.00 0.00 H new ATOM 538 N GLN A 46 3.216 -17.929 4.442 1.00 0.00 N ATOM 539 CA GLN A 46 4.528 -18.616 4.256 1.00 0.00 C ATOM 540 C GLN A 46 5.611 -17.554 4.051 1.00 0.00 C ATOM 541 O GLN A 46 6.788 -17.829 4.075 1.00 0.00 O ATOM 542 CB GLN A 46 4.445 -19.558 3.040 1.00 0.00 C ATOM 543 CG GLN A 46 5.152 -18.937 1.836 1.00 0.00 C ATOM 544 CD GLN A 46 4.576 -17.554 1.528 1.00 0.00 C ATOM 545 OE1 GLN A 46 3.450 -17.252 1.863 1.00 0.00 O ATOM 546 NE2 GLN A 46 5.317 -16.693 0.904 1.00 0.00 N ATOM 0 H GLN A 46 2.556 -18.039 3.672 1.00 0.00 H new ATOM 0 HA GLN A 46 4.776 -19.212 5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.902 -20.517 3.283 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.401 -19.755 2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.220 -18.855 2.037 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.040 -19.585 0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.264 -16.945 0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.953 -15.763 0.695 1.00 0.00 H new ATOM 555 N GLY A 47 5.202 -16.329 3.881 1.00 0.00 N ATOM 556 CA GLY A 47 6.176 -15.205 3.693 1.00 0.00 C ATOM 557 C GLY A 47 5.497 -13.991 3.083 1.00 0.00 C ATOM 558 O GLY A 47 4.295 -13.878 3.041 1.00 0.00 O ATOM 0 H GLY A 47 4.221 -16.049 3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.615 -14.936 4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.993 -15.531 3.049 1.00 0.00 H new ATOM 562 N HIS A 48 6.277 -13.085 2.598 1.00 0.00 N ATOM 563 CA HIS A 48 5.709 -11.859 1.974 1.00 0.00 C ATOM 564 C HIS A 48 6.840 -11.013 1.400 1.00 0.00 C ATOM 565 O HIS A 48 7.612 -10.394 2.096 1.00 0.00 O ATOM 566 CB HIS A 48 4.873 -11.090 3.011 1.00 0.00 C ATOM 567 CG HIS A 48 5.504 -11.129 4.379 1.00 0.00 C ATOM 568 ND1 HIS A 48 5.420 -12.027 5.412 1.00 0.00 N flip ATOM 569 CD2 HIS A 48 6.393 -10.148 4.802 1.00 0.00 C flip ATOM 570 CE1 HIS A 48 6.247 -11.609 6.462 1.00 0.00 C flip ATOM 571 NE2 HIS A 48 6.803 -10.480 6.041 1.00 0.00 N flip ATOM 0 H HIS A 48 7.296 -13.134 2.603 1.00 0.00 H new ATOM 0 HA HIS A 48 5.044 -12.124 1.152 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.761 -10.054 2.692 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.872 -11.518 3.060 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.699 -9.278 4.240 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.400 -12.100 7.412 1.00 0.00 H new ATOM 0 HE2 HIS A 48 7.463 -9.929 6.591 1.00 0.00 H new ATOM 580 N ALA A 49 6.950 -11.024 0.109 1.00 0.00 N ATOM 581 CA ALA A 49 8.025 -10.245 -0.561 1.00 0.00 C ATOM 582 C ALA A 49 8.344 -9.003 0.268 1.00 0.00 C ATOM 583 O ALA A 49 7.546 -8.523 1.045 1.00 0.00 O ATOM 584 CB ALA A 49 7.536 -9.789 -2.013 1.00 0.00 C ATOM 0 H ALA A 49 6.337 -11.543 -0.520 1.00 0.00 H new ATOM 0 HA ALA A 49 8.914 -10.868 -0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.326 -9.218 -2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.302 -10.670 -2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.646 -9.168 -1.919 1.00 0.00 H new ATOM 590 N CYS A 50 9.504 -8.487 0.086 1.00 0.00 N ATOM 591 CA CYS A 50 9.945 -7.271 0.821 1.00 0.00 C ATOM 592 C CYS A 50 9.627 -6.062 -0.044 1.00 0.00 C ATOM 593 O CYS A 50 9.398 -6.152 -1.227 1.00 0.00 O ATOM 594 CB CYS A 50 11.433 -7.351 1.142 1.00 0.00 C ATOM 595 SG CYS A 50 12.044 -5.672 1.284 1.00 0.00 S ATOM 0 H CYS A 50 10.198 -8.862 -0.561 1.00 0.00 H new ATOM 0 HA CYS A 50 9.420 -7.188 1.772 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.596 -7.898 2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.966 -7.888 0.358 1.00 0.00 H new ATOM 0 HG CYS A 50 13.314 -5.694 1.560 1.00 0.00 H new ATOM 601 N GLY A 51 9.608 -4.920 0.569 1.00 0.00 N ATOM 602 CA GLY A 51 9.316 -3.655 -0.164 1.00 0.00 C ATOM 603 C GLY A 51 7.911 -3.201 0.188 1.00 0.00 C ATOM 604 O GLY A 51 7.479 -2.129 -0.165 1.00 0.00 O ATOM 0 H GLY A 51 9.785 -4.802 1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.040 -2.886 0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.404 -3.812 -1.239 1.00 0.00 H new ATOM 608 N ALA A 52 7.183 -4.011 0.879 1.00 0.00 N ATOM 609 CA ALA A 52 5.793 -3.623 1.240 1.00 0.00 C ATOM 610 C ALA A 52 5.228 -4.620 2.240 1.00 0.00 C ATOM 611 O ALA A 52 5.657 -5.735 2.358 1.00 0.00 O ATOM 612 CB ALA A 52 4.895 -3.648 -0.073 1.00 0.00 C ATOM 0 H ALA A 52 7.482 -4.927 1.214 1.00 0.00 H new ATOM 0 HA ALA A 52 5.795 -2.625 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.873 -3.365 0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.297 -2.944 -0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.899 -4.652 -0.498 1.00 0.00 H new ATOM 618 N ILE A 53 4.249 -4.209 2.972 1.00 0.00 N ATOM 619 CA ILE A 53 3.637 -5.127 3.955 1.00 0.00 C ATOM 620 C ILE A 53 2.351 -5.721 3.393 1.00 0.00 C ATOM 621 O ILE A 53 1.535 -5.055 2.806 1.00 0.00 O ATOM 622 CB ILE A 53 3.363 -4.331 5.218 1.00 0.00 C ATOM 623 CG1 ILE A 53 4.682 -4.135 5.967 1.00 0.00 C ATOM 624 CG2 ILE A 53 2.337 -5.105 6.143 1.00 0.00 C ATOM 625 CD1 ILE A 53 4.413 -3.141 7.187 1.00 0.00 C ATOM 0 H ILE A 53 3.842 -3.274 2.934 1.00 0.00 H new ATOM 0 HA ILE A 53 4.307 -5.957 4.177 1.00 0.00 H new ATOM 0 HB ILE A 53 2.932 -3.365 4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.060 -5.091 6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.441 -3.725 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.150 -4.523 7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.401 -5.252 5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.754 -6.074 6.417 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.339 -2.984 7.739 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.051 -2.186 6.805 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.664 -3.574 7.850 1.00 0.00 H new ATOM 637 N ASN A 54 2.191 -6.996 3.556 1.00 0.00 N ATOM 638 CA ASN A 54 0.986 -7.685 3.010 1.00 0.00 C ATOM 639 C ASN A 54 0.133 -8.184 4.149 1.00 0.00 C ATOM 640 O ASN A 54 0.607 -8.759 5.096 1.00 0.00 O ATOM 641 CB ASN A 54 1.406 -8.872 2.136 1.00 0.00 C ATOM 642 CG ASN A 54 2.138 -8.398 0.883 1.00 0.00 C ATOM 643 OD1 ASN A 54 1.602 -8.625 -0.274 1.00 0.00 O flip ATOM 644 ND2 ASN A 54 3.198 -7.809 0.952 1.00 0.00 N flip ATOM 0 H ASN A 54 2.847 -7.602 4.048 1.00 0.00 H new ATOM 0 HA ASN A 54 0.419 -6.978 2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.051 -9.539 2.708 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.525 -9.448 1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.623 -7.629 1.862 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.663 -7.495 0.100 1.00 0.00 H new ATOM 651 N VAL A 55 -1.118 -7.964 4.070 1.00 0.00 N ATOM 652 CA VAL A 55 -2.007 -8.435 5.143 1.00 0.00 C ATOM 653 C VAL A 55 -3.320 -8.920 4.529 1.00 0.00 C ATOM 654 O VAL A 55 -4.206 -8.154 4.206 1.00 0.00 O ATOM 655 CB VAL A 55 -2.220 -7.279 6.121 1.00 0.00 C ATOM 656 CG1 VAL A 55 -3.769 -7.099 6.429 1.00 0.00 C ATOM 657 CG2 VAL A 55 -1.466 -7.601 7.479 1.00 0.00 C ATOM 0 H VAL A 55 -1.579 -7.473 3.304 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.572 -9.274 5.686 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.830 -6.363 5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.908 -6.273 7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.302 -6.885 5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.161 -8.016 6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.614 -6.780 8.181 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.864 -8.521 7.907 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.401 -7.723 7.283 1.00 0.00 H new ATOM 667 N PRO A 56 -3.404 -10.203 4.305 1.00 0.00 N ATOM 668 CA PRO A 56 -4.606 -10.829 3.719 1.00 0.00 C ATOM 669 C PRO A 56 -5.708 -10.989 4.742 1.00 0.00 C ATOM 670 O PRO A 56 -6.244 -12.054 4.974 1.00 0.00 O ATOM 671 CB PRO A 56 -4.102 -12.179 3.170 1.00 0.00 C ATOM 672 CG PRO A 56 -2.831 -12.490 3.886 1.00 0.00 C ATOM 673 CD PRO A 56 -2.351 -11.209 4.588 1.00 0.00 C ATOM 0 HA PRO A 56 -5.056 -10.220 2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.841 -12.963 3.336 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.935 -12.121 2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.989 -13.286 4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.076 -12.845 3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.232 -11.366 5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.383 -10.887 4.204 1.00 0.00 H new ATOM 681 N TYR A 57 -6.051 -9.904 5.366 1.00 0.00 N ATOM 682 CA TYR A 57 -7.130 -9.931 6.392 1.00 0.00 C ATOM 683 C TYR A 57 -6.867 -11.044 7.386 1.00 0.00 C ATOM 684 O TYR A 57 -7.700 -11.409 8.183 1.00 0.00 O ATOM 685 CB TYR A 57 -8.438 -10.192 5.660 1.00 0.00 C ATOM 686 CG TYR A 57 -8.936 -8.958 4.931 1.00 0.00 C ATOM 687 CD1 TYR A 57 -9.699 -8.013 5.636 1.00 0.00 C ATOM 688 CD2 TYR A 57 -8.665 -8.760 3.567 1.00 0.00 C ATOM 689 CE1 TYR A 57 -10.178 -6.875 4.990 1.00 0.00 C ATOM 690 CE2 TYR A 57 -9.149 -7.619 2.921 1.00 0.00 C ATOM 691 CZ TYR A 57 -9.911 -6.673 3.628 1.00 0.00 C ATOM 692 OH TYR A 57 -10.391 -5.546 2.990 1.00 0.00 O ATOM 0 H TYR A 57 -5.628 -8.989 5.210 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.171 -8.988 6.938 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.298 -11.004 4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.193 -10.522 6.373 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.915 -8.169 6.683 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.084 -9.487 3.019 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.756 -6.147 5.539 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.936 -7.464 1.874 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.184 -5.216 3.461 1.00 0.00 H new ATOM 702 N MET A 58 -5.704 -11.585 7.337 1.00 0.00 N ATOM 703 CA MET A 58 -5.350 -12.682 8.276 1.00 0.00 C ATOM 704 C MET A 58 -3.854 -12.676 8.545 1.00 0.00 C ATOM 705 O MET A 58 -3.052 -12.344 7.706 1.00 0.00 O ATOM 706 CB MET A 58 -5.758 -14.010 7.656 1.00 0.00 C ATOM 707 CG MET A 58 -7.271 -14.111 7.532 1.00 0.00 C ATOM 708 SD MET A 58 -7.662 -15.809 7.077 1.00 0.00 S ATOM 709 CE MET A 58 -7.010 -15.752 5.316 1.00 0.00 C ATOM 0 H MET A 58 -4.967 -11.320 6.684 1.00 0.00 H new ATOM 0 HA MET A 58 -5.874 -12.538 9.221 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.301 -14.112 6.672 1.00 0.00 H new ATOM 0 HB3 MET A 58 -5.384 -14.831 8.267 1.00 0.00 H new ATOM 0 HG2 MET A 58 -7.752 -13.846 8.474 1.00 0.00 H new ATOM 0 HG3 MET A 58 -7.642 -13.417 6.778 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.483 -16.538 4.727 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.238 -14.782 4.875 1.00 0.00 H new ATOM 0 HE3 MET A 58 -5.931 -15.903 5.323 1.00 0.00 H new ATOM 719 N ASN A 59 -3.481 -13.050 9.718 1.00 0.00 N ATOM 720 CA ASN A 59 -2.032 -13.078 10.085 1.00 0.00 C ATOM 721 C ASN A 59 -1.802 -14.235 11.050 1.00 0.00 C ATOM 722 O ASN A 59 -2.048 -14.132 12.227 1.00 0.00 O ATOM 723 CB ASN A 59 -1.649 -11.763 10.756 1.00 0.00 C ATOM 724 CG ASN A 59 -1.940 -10.603 9.813 1.00 0.00 C ATOM 725 OD1 ASN A 59 -1.661 -10.666 8.634 1.00 0.00 O ATOM 726 ND2 ASN A 59 -2.494 -9.536 10.288 1.00 0.00 N ATOM 0 H ASN A 59 -4.117 -13.345 10.459 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.420 -13.209 9.192 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.209 -11.640 11.683 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.592 -11.773 11.021 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.696 -8.749 9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.729 -9.481 11.279 1.00 0.00 H new ATOM 733 N ARG A 60 -1.337 -15.338 10.560 1.00 0.00 N ATOM 734 CA ARG A 60 -1.068 -16.509 11.464 1.00 0.00 C ATOM 735 C ARG A 60 0.421 -16.809 11.438 1.00 0.00 C ATOM 736 O ARG A 60 1.061 -16.799 10.415 1.00 0.00 O ATOM 737 CB ARG A 60 -1.838 -17.748 10.961 1.00 0.00 C ATOM 738 CG ARG A 60 -1.384 -19.034 11.733 1.00 0.00 C ATOM 739 CD ARG A 60 -2.333 -20.271 11.436 1.00 0.00 C ATOM 740 NE ARG A 60 -2.411 -20.707 9.899 1.00 0.00 N ATOM 741 CZ ARG A 60 -2.844 -21.962 9.734 1.00 0.00 C ATOM 742 NH1 ARG A 60 -2.024 -22.731 10.168 1.00 0.00 N ATOM 743 NH2 ARG A 60 -2.988 -21.982 8.469 1.00 0.00 N ATOM 0 H ARG A 60 -1.127 -15.494 9.574 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.392 -16.271 12.477 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.909 -17.596 11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.667 -17.880 9.893 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.362 -19.285 11.450 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.377 -18.831 12.804 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.990 -21.123 12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.338 -20.030 11.782 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.157 -20.092 9.126 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.161 -22.377 10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.193 -23.736 10.123 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.773 -21.151 7.918 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.318 -22.829 8.007 1.00 0.00 H new ATOM 757 N GLY A 61 0.979 -17.075 12.571 1.00 0.00 N ATOM 758 CA GLY A 61 2.434 -17.386 12.643 1.00 0.00 C ATOM 759 C GLY A 61 2.796 -17.795 14.061 1.00 0.00 C ATOM 760 O GLY A 61 1.956 -18.068 14.886 1.00 0.00 O ATOM 0 H GLY A 61 0.490 -17.093 13.466 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.680 -18.189 11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.018 -16.515 12.344 1.00 0.00 H new ATOM 764 N ALA A 62 4.043 -17.823 14.350 1.00 0.00 N ATOM 765 CA ALA A 62 4.488 -18.202 15.714 1.00 0.00 C ATOM 766 C ALA A 62 4.041 -17.117 16.682 1.00 0.00 C ATOM 767 O ALA A 62 4.299 -17.169 17.858 1.00 0.00 O ATOM 768 CB ALA A 62 6.072 -18.311 15.710 1.00 0.00 C ATOM 0 H ALA A 62 4.794 -17.598 13.698 1.00 0.00 H new ATOM 0 HA ALA A 62 4.059 -19.157 16.017 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.420 -18.589 16.705 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.383 -19.070 14.992 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.502 -17.349 15.431 1.00 0.00 H new ATOM 774 N SER A 63 3.363 -16.143 16.180 1.00 0.00 N ATOM 775 CA SER A 63 2.874 -15.046 17.055 1.00 0.00 C ATOM 776 C SER A 63 1.910 -15.660 18.068 1.00 0.00 C ATOM 777 O SER A 63 1.513 -15.046 19.029 1.00 0.00 O ATOM 778 CB SER A 63 2.160 -13.986 16.206 1.00 0.00 C ATOM 779 OG SER A 63 1.689 -12.948 17.053 1.00 0.00 O ATOM 0 H SER A 63 3.120 -16.051 15.194 1.00 0.00 H new ATOM 0 HA SER A 63 3.702 -14.561 17.572 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.843 -13.581 15.459 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.327 -14.436 15.665 1.00 0.00 H new ATOM 0 HG SER A 63 1.233 -12.268 16.514 1.00 0.00 H new ATOM 785 N GLY A 64 1.528 -16.889 17.850 1.00 0.00 N ATOM 786 CA GLY A 64 0.581 -17.575 18.790 1.00 0.00 C ATOM 787 C GLY A 64 -0.760 -17.781 18.089 1.00 0.00 C ATOM 788 O GLY A 64 -1.797 -17.891 18.708 1.00 0.00 O ATOM 0 H GLY A 64 1.831 -17.455 17.057 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.992 -18.534 19.104 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.446 -16.976 19.691 1.00 0.00 H new ATOM 792 N MET A 65 -0.734 -17.849 16.796 1.00 0.00 N ATOM 793 CA MET A 65 -1.989 -18.058 16.007 1.00 0.00 C ATOM 794 C MET A 65 -3.058 -17.053 16.434 1.00 0.00 C ATOM 795 O MET A 65 -3.723 -17.202 17.430 1.00 0.00 O ATOM 796 CB MET A 65 -2.514 -19.479 16.225 1.00 0.00 C ATOM 797 CG MET A 65 -1.526 -20.492 15.652 1.00 0.00 C ATOM 798 SD MET A 65 -2.169 -22.180 15.889 1.00 0.00 S ATOM 799 CE MET A 65 -3.660 -21.986 14.774 1.00 0.00 C ATOM 0 H MET A 65 0.114 -17.768 16.234 1.00 0.00 H new ATOM 0 HA MET A 65 -1.762 -17.912 14.951 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.660 -19.663 17.289 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.486 -19.594 15.745 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.367 -20.299 14.591 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.559 -20.389 16.143 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.922 -22.953 14.345 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.501 -21.607 15.354 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.426 -21.285 13.973 1.00 0.00 H new ATOM 809 N SER A 66 -3.229 -16.034 15.662 1.00 0.00 N ATOM 810 CA SER A 66 -4.254 -14.997 15.983 1.00 0.00 C ATOM 811 C SER A 66 -4.469 -14.134 14.744 1.00 0.00 C ATOM 812 O SER A 66 -3.780 -13.172 14.506 1.00 0.00 O ATOM 813 CB SER A 66 -3.788 -14.141 17.161 1.00 0.00 C ATOM 814 OG SER A 66 -3.962 -14.862 18.372 1.00 0.00 O ATOM 0 H SER A 66 -2.700 -15.863 14.807 1.00 0.00 H new ATOM 0 HA SER A 66 -5.193 -15.473 16.267 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.740 -13.870 17.035 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.356 -13.211 17.195 1.00 0.00 H new ATOM 0 HG SER A 66 -4.248 -15.777 18.170 1.00 0.00 H new ATOM 820 N LYS A 67 -5.427 -14.484 13.946 1.00 0.00 N ATOM 821 CA LYS A 67 -5.702 -13.691 12.713 1.00 0.00 C ATOM 822 C LYS A 67 -6.943 -12.833 12.953 1.00 0.00 C ATOM 823 O LYS A 67 -7.856 -13.202 13.655 1.00 0.00 O ATOM 824 CB LYS A 67 -5.899 -14.636 11.516 1.00 0.00 C ATOM 825 CG LYS A 67 -6.613 -15.913 11.958 1.00 0.00 C ATOM 826 CD LYS A 67 -6.917 -16.768 10.725 1.00 0.00 C ATOM 827 CE LYS A 67 -5.679 -17.569 10.337 1.00 0.00 C ATOM 828 NZ LYS A 67 -5.260 -18.458 11.551 1.00 0.00 N ATOM 0 H LYS A 67 -6.038 -15.288 14.089 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.859 -13.039 12.484 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.481 -14.136 10.741 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.932 -14.885 11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.989 -16.470 12.657 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.537 -15.666 12.481 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.747 -17.442 10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.224 -16.131 9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.888 -18.191 9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.866 -16.898 10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.959 -19.393 11.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.473 -18.005 12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.069 -18.569 12.196 1.00 0.00 H new ATOM 842 N ASN A 68 -6.946 -11.665 12.394 1.00 0.00 N ATOM 843 CA ASN A 68 -8.089 -10.717 12.575 1.00 0.00 C ATOM 844 C ASN A 68 -9.398 -11.448 12.409 1.00 0.00 C ATOM 845 O ASN A 68 -9.600 -12.204 11.494 1.00 0.00 O ATOM 846 CB ASN A 68 -7.988 -9.615 11.531 1.00 0.00 C ATOM 847 CG ASN A 68 -6.641 -8.913 11.613 1.00 0.00 C ATOM 848 OD1 ASN A 68 -5.980 -8.701 10.622 1.00 0.00 O ATOM 849 ND2 ASN A 68 -6.202 -8.552 12.774 1.00 0.00 N ATOM 0 H ASN A 68 -6.192 -11.312 11.805 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.048 -10.287 13.576 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.122 -10.038 10.535 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.790 -8.892 11.681 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.297 -8.088 12.855 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.760 -8.731 13.609 1.00 0.00 H new ATOM 856 N THR A 69 -10.290 -11.226 13.302 1.00 0.00 N ATOM 857 CA THR A 69 -11.601 -11.908 13.225 1.00 0.00 C ATOM 858 C THR A 69 -12.699 -10.988 13.767 1.00 0.00 C ATOM 859 O THR A 69 -12.448 -10.120 14.570 1.00 0.00 O ATOM 860 CB THR A 69 -11.498 -13.190 14.045 1.00 0.00 C ATOM 861 OG1 THR A 69 -10.373 -13.898 13.606 1.00 0.00 O ATOM 862 CG2 THR A 69 -12.792 -14.080 13.841 1.00 0.00 C ATOM 0 H THR A 69 -10.175 -10.595 14.095 1.00 0.00 H new ATOM 0 HA THR A 69 -11.859 -12.150 12.194 1.00 0.00 H new ATOM 0 HB THR A 69 -11.411 -12.945 15.103 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.574 -13.554 14.057 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.704 -14.991 14.432 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.672 -13.522 14.163 1.00 0.00 H new ATOM 0 HG23 THR A 69 -12.893 -14.340 12.787 1.00 0.00 H new ATOM 870 N ASP A 70 -13.913 -11.174 13.366 1.00 0.00 N ATOM 871 CA ASP A 70 -15.016 -10.308 13.896 1.00 0.00 C ATOM 872 C ASP A 70 -14.614 -8.849 13.704 1.00 0.00 C ATOM 873 O ASP A 70 -14.705 -8.037 14.594 1.00 0.00 O ATOM 874 CB ASP A 70 -15.232 -10.555 15.398 1.00 0.00 C ATOM 875 CG ASP A 70 -15.677 -12.002 15.671 1.00 0.00 C ATOM 876 OD1 ASP A 70 -16.157 -12.639 14.755 1.00 0.00 O ATOM 877 OD2 ASP A 70 -15.560 -12.437 16.801 1.00 0.00 O ATOM 0 H ASP A 70 -14.203 -11.885 12.694 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.937 -10.542 13.362 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.308 -10.349 15.939 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.984 -9.864 15.777 1.00 0.00 H new ATOM 882 N PHE A 71 -14.163 -8.532 12.534 1.00 0.00 N ATOM 883 CA PHE A 71 -13.731 -7.140 12.211 1.00 0.00 C ATOM 884 C PHE A 71 -14.812 -6.169 12.677 1.00 0.00 C ATOM 885 O PHE A 71 -14.569 -5.010 12.937 1.00 0.00 O ATOM 886 CB PHE A 71 -13.602 -7.017 10.694 1.00 0.00 C ATOM 887 CG PHE A 71 -12.538 -7.940 10.138 1.00 0.00 C ATOM 888 CD1 PHE A 71 -11.197 -7.514 10.121 1.00 0.00 C ATOM 889 CD2 PHE A 71 -12.876 -9.213 9.639 1.00 0.00 C ATOM 890 CE1 PHE A 71 -10.206 -8.335 9.580 1.00 0.00 C ATOM 891 CE2 PHE A 71 -11.879 -10.037 9.099 1.00 0.00 C ATOM 892 CZ PHE A 71 -10.540 -9.607 9.085 1.00 0.00 C ATOM 0 H PHE A 71 -14.070 -9.192 11.762 1.00 0.00 H new ATOM 0 HA PHE A 71 -12.783 -6.916 12.700 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -14.561 -7.247 10.229 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -13.360 -5.987 10.433 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -10.934 -6.549 10.528 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -13.900 -9.553 9.672 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.182 -7.992 9.542 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -12.139 -11.003 8.693 1.00 0.00 H new ATOM 0 HZ PHE A 71 -9.769 -10.254 8.694 1.00 0.00 H new ATOM 902 N LEU A 72 -16.019 -6.642 12.756 1.00 0.00 N ATOM 903 CA LEU A 72 -17.134 -5.759 13.180 1.00 0.00 C ATOM 904 C LEU A 72 -16.733 -5.055 14.476 1.00 0.00 C ATOM 905 O LEU A 72 -16.858 -3.863 14.619 1.00 0.00 O ATOM 906 CB LEU A 72 -18.444 -6.569 13.352 1.00 0.00 C ATOM 907 CG LEU A 72 -19.122 -6.851 11.997 1.00 0.00 C ATOM 908 CD1 LEU A 72 -20.134 -5.694 11.621 1.00 0.00 C ATOM 909 CD2 LEU A 72 -17.996 -6.925 10.861 1.00 0.00 C ATOM 0 H LEU A 72 -16.283 -7.604 12.545 1.00 0.00 H new ATOM 0 HA LEU A 72 -17.326 -5.010 12.412 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.226 -7.512 13.853 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.131 -6.018 13.995 1.00 0.00 H new ATOM 0 HG LEU A 72 -19.668 -7.792 12.071 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.600 -5.916 10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.904 -5.620 12.389 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.597 -4.748 11.554 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.464 -7.124 9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.462 -5.976 10.816 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.294 -7.725 11.096 1.00 0.00 H new ATOM 921 N GLU A 73 -16.197 -5.786 15.405 1.00 0.00 N ATOM 922 CA GLU A 73 -15.713 -5.162 16.674 1.00 0.00 C ATOM 923 C GLU A 73 -14.711 -4.062 16.333 1.00 0.00 C ATOM 924 O GLU A 73 -14.654 -3.037 16.972 1.00 0.00 O ATOM 925 CB GLU A 73 -15.037 -6.230 17.548 1.00 0.00 C ATOM 926 CG GLU A 73 -13.598 -6.488 17.069 1.00 0.00 C ATOM 927 CD GLU A 73 -13.080 -7.802 17.673 1.00 0.00 C ATOM 928 OE1 GLU A 73 -13.741 -8.335 18.542 1.00 0.00 O ATOM 929 OE2 GLU A 73 -12.027 -8.250 17.260 1.00 0.00 O ATOM 0 H GLU A 73 -16.070 -6.796 15.346 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.553 -4.736 17.222 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.027 -5.904 18.588 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.611 -7.156 17.510 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.571 -6.541 15.981 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.952 -5.661 17.364 1.00 0.00 H new ATOM 936 N GLN A 74 -13.922 -4.260 15.321 1.00 0.00 N ATOM 937 CA GLN A 74 -12.921 -3.214 14.926 1.00 0.00 C ATOM 938 C GLN A 74 -13.618 -2.174 14.057 1.00 0.00 C ATOM 939 O GLN A 74 -13.506 -0.991 14.271 1.00 0.00 O ATOM 940 CB GLN A 74 -11.780 -3.861 14.134 1.00 0.00 C ATOM 941 CG GLN A 74 -10.799 -4.514 15.106 1.00 0.00 C ATOM 942 CD GLN A 74 -10.039 -3.469 15.915 1.00 0.00 C ATOM 943 OE1 GLN A 74 -9.502 -2.522 15.385 1.00 0.00 O ATOM 944 NE2 GLN A 74 -9.971 -3.612 17.203 1.00 0.00 N ATOM 0 H GLN A 74 -13.920 -5.100 14.743 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.510 -2.741 15.818 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -12.177 -4.606 13.444 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.268 -3.110 13.532 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.340 -5.176 15.782 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.092 -5.132 14.552 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.422 -4.409 17.652 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.466 -2.928 17.766 1.00 0.00 H new ATOM 953 N VAL A 75 -14.359 -2.607 13.082 1.00 0.00 N ATOM 954 CA VAL A 75 -15.069 -1.633 12.203 1.00 0.00 C ATOM 955 C VAL A 75 -16.138 -0.930 13.019 1.00 0.00 C ATOM 956 O VAL A 75 -16.264 0.274 12.994 1.00 0.00 O ATOM 957 CB VAL A 75 -15.731 -2.357 11.020 1.00 0.00 C ATOM 958 CG1 VAL A 75 -16.327 -1.275 10.019 1.00 0.00 C ATOM 959 CG2 VAL A 75 -14.655 -3.226 10.226 1.00 0.00 C ATOM 0 H VAL A 75 -14.506 -3.590 12.852 1.00 0.00 H new ATOM 0 HA VAL A 75 -14.350 -0.912 11.813 1.00 0.00 H new ATOM 0 HB VAL A 75 -16.516 -3.009 11.404 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -16.799 -1.780 9.176 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -17.068 -0.667 10.539 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -15.524 -0.635 9.655 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -15.140 -3.732 9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -13.869 -2.573 9.847 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -14.220 -3.967 10.896 1.00 0.00 H new ATOM 969 N SER A 76 -16.903 -1.673 13.755 1.00 0.00 N ATOM 970 CA SER A 76 -17.966 -1.048 14.600 1.00 0.00 C ATOM 971 C SER A 76 -17.319 0.039 15.455 1.00 0.00 C ATOM 972 O SER A 76 -17.913 1.046 15.756 1.00 0.00 O ATOM 973 CB SER A 76 -18.594 -2.096 15.528 1.00 0.00 C ATOM 974 OG SER A 76 -19.671 -1.519 16.243 1.00 0.00 O ATOM 0 H SER A 76 -16.844 -2.690 13.814 1.00 0.00 H new ATOM 0 HA SER A 76 -18.742 -0.631 13.958 1.00 0.00 H new ATOM 0 HB2 SER A 76 -18.947 -2.947 14.945 1.00 0.00 H new ATOM 0 HB3 SER A 76 -17.845 -2.475 16.224 1.00 0.00 H new ATOM 0 HG SER A 76 -20.070 -2.192 16.833 1.00 0.00 H new ATOM 980 N SER A 77 -16.094 -0.158 15.847 1.00 0.00 N ATOM 981 CA SER A 77 -15.390 0.882 16.670 1.00 0.00 C ATOM 982 C SER A 77 -15.050 2.073 15.784 1.00 0.00 C ATOM 983 O SER A 77 -14.479 3.047 16.222 1.00 0.00 O ATOM 984 CB SER A 77 -14.083 0.311 17.236 1.00 0.00 C ATOM 985 OG SER A 77 -13.099 0.257 16.220 1.00 0.00 O ATOM 0 H SER A 77 -15.543 -0.991 15.638 1.00 0.00 H new ATOM 0 HA SER A 77 -16.042 1.186 17.489 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.732 0.931 18.061 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.257 -0.687 17.639 1.00 0.00 H new ATOM 0 HG SER A 77 -13.513 -0.029 15.379 1.00 0.00 H new ATOM 991 N HIS A 78 -15.399 2.006 14.536 1.00 0.00 N ATOM 992 CA HIS A 78 -15.105 3.142 13.615 1.00 0.00 C ATOM 993 C HIS A 78 -13.624 3.086 13.244 1.00 0.00 C ATOM 994 O HIS A 78 -12.875 4.010 13.455 1.00 0.00 O ATOM 995 CB HIS A 78 -15.434 4.470 14.331 1.00 0.00 C ATOM 996 CG HIS A 78 -15.915 5.494 13.328 1.00 0.00 C ATOM 997 ND1 HIS A 78 -15.079 6.465 12.784 1.00 0.00 N ATOM 998 CD2 HIS A 78 -17.137 5.681 12.737 1.00 0.00 C ATOM 999 CE1 HIS A 78 -15.814 7.179 11.901 1.00 0.00 C ATOM 1000 NE2 HIS A 78 -17.067 6.747 11.834 1.00 0.00 N ATOM 0 H HIS A 78 -15.877 1.213 14.108 1.00 0.00 H new ATOM 0 HA HIS A 78 -15.709 3.075 12.710 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -16.200 4.304 15.089 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -14.550 4.843 14.848 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -18.021 5.094 12.938 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -15.427 8.003 11.320 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.818 7.114 11.249 1.00 0.00 H new ATOM 1009 N PHE A 79 -13.194 1.990 12.693 1.00 0.00 N ATOM 1010 CA PHE A 79 -11.752 1.857 12.305 1.00 0.00 C ATOM 1011 C PHE A 79 -11.576 0.686 11.330 1.00 0.00 C ATOM 1012 O PHE A 79 -12.159 -0.367 11.473 1.00 0.00 O ATOM 1013 CB PHE A 79 -10.945 1.573 13.562 1.00 0.00 C ATOM 1014 CG PHE A 79 -10.720 2.829 14.374 1.00 0.00 C ATOM 1015 CD1 PHE A 79 -9.722 3.734 13.973 1.00 0.00 C ATOM 1016 CD2 PHE A 79 -11.487 3.093 15.523 1.00 0.00 C ATOM 1017 CE1 PHE A 79 -9.471 4.882 14.727 1.00 0.00 C ATOM 1018 CE2 PHE A 79 -11.239 4.246 16.275 1.00 0.00 C ATOM 1019 CZ PHE A 79 -10.238 5.149 15.872 1.00 0.00 C ATOM 0 H PHE A 79 -13.774 1.175 12.491 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.415 2.776 11.825 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.466 0.834 14.171 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.983 1.139 13.288 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -9.148 3.541 13.079 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.265 2.407 15.824 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.688 5.564 14.430 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -11.817 4.443 17.166 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.060 6.048 16.444 1.00 0.00 H new ATOM 1029 N GLY A 80 -10.764 0.877 10.339 1.00 0.00 N ATOM 1030 CA GLY A 80 -10.518 -0.198 9.327 1.00 0.00 C ATOM 1031 C GLY A 80 -9.085 -0.714 9.436 1.00 0.00 C ATOM 1032 O GLY A 80 -8.146 0.029 9.593 1.00 0.00 O ATOM 0 H GLY A 80 -10.248 1.742 10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.219 -1.018 9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.696 0.190 8.324 1.00 0.00 H new ATOM 1036 N GLN A 81 -8.926 -1.995 9.349 1.00 0.00 N ATOM 1037 CA GLN A 81 -7.561 -2.599 9.424 1.00 0.00 C ATOM 1038 C GLN A 81 -6.611 -1.803 8.533 1.00 0.00 C ATOM 1039 O GLN A 81 -5.417 -1.846 8.688 1.00 0.00 O ATOM 1040 CB GLN A 81 -7.626 -4.057 8.941 1.00 0.00 C ATOM 1041 CG GLN A 81 -7.777 -4.091 7.418 1.00 0.00 C ATOM 1042 CD GLN A 81 -8.228 -5.470 6.940 1.00 0.00 C ATOM 1043 OE1 GLN A 81 -9.056 -6.109 7.550 1.00 0.00 O ATOM 1044 NE2 GLN A 81 -7.706 -5.957 5.858 1.00 0.00 N ATOM 0 H GLN A 81 -9.686 -2.664 9.228 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.200 -2.574 10.452 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.722 -4.589 9.238 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.466 -4.568 9.411 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.501 -3.339 7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.827 -3.833 6.950 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.008 -5.421 5.342 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.993 -6.876 5.522 1.00 0.00 H new ATOM 1053 N SER A 82 -7.133 -1.061 7.610 1.00 0.00 N ATOM 1054 CA SER A 82 -6.254 -0.234 6.726 1.00 0.00 C ATOM 1055 C SER A 82 -6.692 1.227 6.858 1.00 0.00 C ATOM 1056 O SER A 82 -6.429 2.052 6.017 1.00 0.00 O ATOM 1057 CB SER A 82 -6.400 -0.702 5.274 1.00 0.00 C ATOM 1058 OG SER A 82 -5.675 -1.909 5.087 1.00 0.00 O ATOM 0 H SER A 82 -8.132 -0.985 7.421 1.00 0.00 H new ATOM 0 HA SER A 82 -5.209 -0.338 7.018 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.452 -0.857 5.035 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.029 0.066 4.595 1.00 0.00 H new ATOM 0 HG SER A 82 -6.191 -2.516 4.516 1.00 0.00 H new ATOM 1064 N ASP A 83 -7.367 1.541 7.933 1.00 0.00 N ATOM 1065 CA ASP A 83 -7.847 2.951 8.163 1.00 0.00 C ATOM 1066 C ASP A 83 -6.743 3.921 7.779 1.00 0.00 C ATOM 1067 O ASP A 83 -5.700 3.971 8.389 1.00 0.00 O ATOM 1068 CB ASP A 83 -8.196 3.127 9.643 1.00 0.00 C ATOM 1069 CG ASP A 83 -9.032 4.397 9.863 1.00 0.00 C ATOM 1070 OD1 ASP A 83 -9.373 5.036 8.888 1.00 0.00 O ATOM 1071 OD2 ASP A 83 -9.297 4.722 11.004 1.00 0.00 O ATOM 0 H ASP A 83 -7.612 0.881 8.671 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.731 3.148 7.556 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.750 2.257 9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.281 3.183 10.232 1.00 0.00 H new ATOM 1076 N ASN A 84 -6.963 4.686 6.762 1.00 0.00 N ATOM 1077 CA ASN A 84 -5.933 5.675 6.314 1.00 0.00 C ATOM 1078 C ASN A 84 -4.659 4.946 5.952 1.00 0.00 C ATOM 1079 O ASN A 84 -3.630 5.122 6.557 1.00 0.00 O ATOM 1080 CB ASN A 84 -5.644 6.673 7.431 1.00 0.00 C ATOM 1081 CG ASN A 84 -6.948 7.145 8.058 1.00 0.00 C ATOM 1082 OD1 ASN A 84 -7.957 7.385 7.289 1.00 0.00 O flip ATOM 1083 ND2 ASN A 84 -7.055 7.288 9.259 1.00 0.00 N flip ATOM 0 H ASN A 84 -7.819 4.677 6.208 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.311 6.212 5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.013 6.210 8.190 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.092 7.525 7.035 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.259 7.099 9.868 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.941 7.597 9.659 1.00 0.00 H new ATOM 1090 N ILE A 85 -4.717 4.122 4.967 1.00 0.00 N ATOM 1091 CA ILE A 85 -3.501 3.375 4.567 1.00 0.00 C ATOM 1092 C ILE A 85 -3.503 3.176 3.061 1.00 0.00 C ATOM 1093 O ILE A 85 -4.410 3.575 2.369 1.00 0.00 O ATOM 1094 CB ILE A 85 -3.484 2.045 5.306 1.00 0.00 C ATOM 1095 CG1 ILE A 85 -3.167 2.312 6.770 1.00 0.00 C ATOM 1096 CG2 ILE A 85 -2.378 1.067 4.709 1.00 0.00 C ATOM 1097 CD1 ILE A 85 -2.981 0.906 7.494 1.00 0.00 C ATOM 0 H ILE A 85 -5.552 3.927 4.415 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.601 3.931 4.829 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.458 1.569 5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.261 2.911 6.861 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.972 2.879 7.238 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.391 0.125 5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.590 0.877 3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.395 1.529 4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.752 1.067 8.548 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.900 0.327 7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.163 0.360 7.024 1.00 0.00 H new ATOM 1109 N ILE A 86 -2.479 2.600 2.544 1.00 0.00 N ATOM 1110 CA ILE A 86 -2.429 2.347 1.083 1.00 0.00 C ATOM 1111 C ILE A 86 -2.525 0.856 0.826 1.00 0.00 C ATOM 1112 O ILE A 86 -1.658 0.088 1.165 1.00 0.00 O ATOM 1113 CB ILE A 86 -1.105 2.878 0.541 1.00 0.00 C ATOM 1114 CG1 ILE A 86 -0.978 4.376 0.896 1.00 0.00 C ATOM 1115 CG2 ILE A 86 -1.108 2.727 -1.055 1.00 0.00 C ATOM 1116 CD1 ILE A 86 0.448 4.908 0.390 1.00 0.00 C ATOM 0 H ILE A 86 -1.661 2.287 3.067 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.260 2.848 0.587 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.274 2.321 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.781 4.944 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.074 4.518 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.167 3.103 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.223 1.676 -1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.936 3.299 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.550 5.965 0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.242 4.344 0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.523 4.777 -0.689 1.00 0.00 H new ATOM 1128 N VAL A 87 -3.597 0.440 0.246 1.00 0.00 N ATOM 1129 CA VAL A 87 -3.811 -1.012 0.021 1.00 0.00 C ATOM 1130 C VAL A 87 -3.725 -1.298 -1.476 1.00 0.00 C ATOM 1131 O VAL A 87 -3.559 -0.416 -2.288 1.00 0.00 O ATOM 1132 CB VAL A 87 -5.172 -1.411 0.612 1.00 0.00 C ATOM 1133 CG1 VAL A 87 -5.438 -2.970 0.437 1.00 0.00 C ATOM 1134 CG2 VAL A 87 -5.230 -1.080 2.154 1.00 0.00 C ATOM 0 H VAL A 87 -4.347 1.044 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.044 -1.606 0.518 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.931 -0.843 0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.408 -3.224 0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.431 -3.224 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.657 -3.532 0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.202 -1.370 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.446 -1.630 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.082 -0.010 2.302 1.00 0.00 H new ATOM 1144 N GLY A 88 -3.791 -2.540 -1.834 1.00 0.00 N ATOM 1145 CA GLY A 88 -3.711 -2.933 -3.274 1.00 0.00 C ATOM 1146 C GLY A 88 -4.009 -4.415 -3.435 1.00 0.00 C ATOM 1147 O GLY A 88 -4.190 -5.130 -2.477 1.00 0.00 O ATOM 0 H GLY A 88 -3.899 -3.319 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.421 -2.347 -3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.718 -2.711 -3.664 1.00 0.00 H new ATOM 1151 N CYS A 89 -4.059 -4.870 -4.646 1.00 0.00 N ATOM 1152 CA CYS A 89 -4.352 -6.311 -4.890 1.00 0.00 C ATOM 1153 C CYS A 89 -3.289 -6.892 -5.812 1.00 0.00 C ATOM 1154 O CYS A 89 -3.059 -6.422 -6.901 1.00 0.00 O ATOM 1155 CB CYS A 89 -5.779 -6.489 -5.462 1.00 0.00 C ATOM 1156 SG CYS A 89 -6.295 -8.228 -5.453 1.00 0.00 S ATOM 0 H CYS A 89 -3.910 -4.309 -5.485 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.320 -6.857 -3.947 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.482 -5.898 -4.875 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -5.813 -6.105 -6.482 1.00 0.00 H new ATOM 0 HG CYS A 89 -7.478 -8.327 -4.923 1.00 0.00 H new ATOM 1162 N GLN A 90 -2.598 -7.881 -5.340 1.00 0.00 N ATOM 1163 CA GLN A 90 -1.505 -8.507 -6.146 1.00 0.00 C ATOM 1164 C GLN A 90 -2.078 -9.190 -7.376 1.00 0.00 C ATOM 1165 O GLN A 90 -1.509 -9.175 -8.440 1.00 0.00 O ATOM 1166 CB GLN A 90 -0.733 -9.511 -5.280 1.00 0.00 C ATOM 1167 CG GLN A 90 0.501 -10.016 -6.030 1.00 0.00 C ATOM 1168 CD GLN A 90 0.117 -11.060 -7.074 1.00 0.00 C ATOM 1169 OE1 GLN A 90 0.175 -10.817 -8.260 1.00 0.00 O ATOM 1170 NE2 GLN A 90 -0.280 -12.228 -6.673 1.00 0.00 N ATOM 0 H GLN A 90 -2.740 -8.294 -4.418 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.818 -7.729 -6.479 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.431 -9.039 -4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.378 -10.350 -5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.004 -9.179 -6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.210 -10.447 -5.323 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.330 -12.435 -5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.542 -12.939 -7.355 1.00 0.00 H new ATOM 1179 N SER A 91 -3.203 -9.809 -7.216 1.00 0.00 N ATOM 1180 CA SER A 91 -3.850 -10.526 -8.357 1.00 0.00 C ATOM 1181 C SER A 91 -4.177 -9.530 -9.463 1.00 0.00 C ATOM 1182 O SER A 91 -4.244 -8.342 -9.259 1.00 0.00 O ATOM 1183 CB SER A 91 -5.129 -11.210 -7.861 1.00 0.00 C ATOM 1184 OG SER A 91 -4.799 -12.449 -7.252 1.00 0.00 O ATOM 0 H SER A 91 -3.716 -9.855 -6.335 1.00 0.00 H new ATOM 0 HA SER A 91 -3.172 -11.282 -8.754 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.644 -10.568 -7.147 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.813 -11.373 -8.694 1.00 0.00 H new ATOM 0 HG SER A 91 -5.617 -12.885 -6.934 1.00 0.00 H new ATOM 1190 N GLY A 92 -4.381 -10.024 -10.641 1.00 0.00 N ATOM 1191 CA GLY A 92 -4.700 -9.130 -11.790 1.00 0.00 C ATOM 1192 C GLY A 92 -5.709 -8.069 -11.358 1.00 0.00 C ATOM 1193 O GLY A 92 -6.381 -8.194 -10.360 1.00 0.00 O ATOM 0 H GLY A 92 -4.342 -11.018 -10.867 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.790 -8.652 -12.154 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.105 -9.715 -12.616 1.00 0.00 H new ATOM 1197 N GLY A 93 -5.809 -7.027 -12.113 1.00 0.00 N ATOM 1198 CA GLY A 93 -6.766 -5.930 -11.784 1.00 0.00 C ATOM 1199 C GLY A 93 -8.163 -6.516 -11.631 1.00 0.00 C ATOM 1200 O GLY A 93 -8.995 -6.004 -10.920 1.00 0.00 O ATOM 0 H GLY A 93 -5.263 -6.877 -12.961 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.464 -5.432 -10.863 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.759 -5.176 -12.571 1.00 0.00 H new ATOM 1204 N ARG A 94 -8.426 -7.596 -12.307 1.00 0.00 N ATOM 1205 CA ARG A 94 -9.778 -8.235 -12.218 1.00 0.00 C ATOM 1206 C ARG A 94 -10.090 -8.513 -10.760 1.00 0.00 C ATOM 1207 O ARG A 94 -11.226 -8.550 -10.348 1.00 0.00 O ATOM 1208 CB ARG A 94 -9.803 -9.546 -12.993 1.00 0.00 C ATOM 1209 CG ARG A 94 -9.564 -9.182 -14.462 1.00 0.00 C ATOM 1210 CD ARG A 94 -9.636 -10.420 -15.322 1.00 0.00 C ATOM 1211 NE ARG A 94 -9.225 -10.070 -16.766 1.00 0.00 N ATOM 1212 CZ ARG A 94 -8.722 -11.109 -17.409 1.00 0.00 C ATOM 1213 NH1 ARG A 94 -7.675 -11.403 -16.873 1.00 0.00 N ATOM 1214 NH2 ARG A 94 -8.637 -10.628 -18.563 1.00 0.00 N ATOM 0 H ARG A 94 -7.764 -8.070 -12.922 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.520 -7.562 -12.647 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -9.032 -10.227 -12.631 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.760 -10.053 -12.869 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.309 -8.458 -14.791 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.588 -8.709 -14.573 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.978 -11.192 -14.923 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.648 -10.826 -15.309 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.329 -9.143 -17.178 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.344 -10.866 -16.072 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.125 -12.187 -17.224 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.933 -9.668 -18.738 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.271 -11.197 -19.327 1.00 0.00 H new ATOM 1228 N SER A 95 -9.084 -8.721 -9.971 1.00 0.00 N ATOM 1229 CA SER A 95 -9.314 -9.015 -8.526 1.00 0.00 C ATOM 1230 C SER A 95 -9.450 -7.708 -7.765 1.00 0.00 C ATOM 1231 O SER A 95 -10.171 -7.606 -6.799 1.00 0.00 O ATOM 1232 CB SER A 95 -8.130 -9.805 -7.955 1.00 0.00 C ATOM 1233 OG SER A 95 -8.341 -10.043 -6.569 1.00 0.00 O ATOM 0 H SER A 95 -8.106 -8.702 -10.259 1.00 0.00 H new ATOM 0 HA SER A 95 -10.224 -9.605 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.022 -10.751 -8.485 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.204 -9.249 -8.102 1.00 0.00 H new ATOM 0 HG SER A 95 -7.541 -9.783 -6.067 1.00 0.00 H new ATOM 1239 N ILE A 96 -8.769 -6.703 -8.194 1.00 0.00 N ATOM 1240 CA ILE A 96 -8.840 -5.394 -7.489 1.00 0.00 C ATOM 1241 C ILE A 96 -10.283 -4.899 -7.511 1.00 0.00 C ATOM 1242 O ILE A 96 -10.745 -4.243 -6.607 1.00 0.00 O ATOM 1243 CB ILE A 96 -7.906 -4.412 -8.210 1.00 0.00 C ATOM 1244 CG1 ILE A 96 -7.329 -3.418 -7.209 1.00 0.00 C ATOM 1245 CG2 ILE A 96 -8.696 -3.614 -9.329 1.00 0.00 C ATOM 1246 CD1 ILE A 96 -8.556 -2.739 -6.456 1.00 0.00 C ATOM 0 H ILE A 96 -8.157 -6.722 -9.010 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.526 -5.486 -6.449 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.101 -4.982 -8.675 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.674 -3.924 -6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.726 -2.666 -7.718 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.018 -2.923 -9.830 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.102 -4.315 -10.058 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.511 -3.055 -8.870 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.183 -2.018 -5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.190 -2.228 -7.181 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.137 -3.505 -5.943 1.00 0.00 H new ATOM 1258 N LYS A 97 -11.018 -5.239 -8.527 1.00 0.00 N ATOM 1259 CA LYS A 97 -12.451 -4.803 -8.595 1.00 0.00 C ATOM 1260 C LYS A 97 -13.201 -5.422 -7.413 1.00 0.00 C ATOM 1261 O LYS A 97 -13.923 -4.769 -6.700 1.00 0.00 O ATOM 1262 CB LYS A 97 -13.066 -5.269 -9.922 1.00 0.00 C ATOM 1263 CG LYS A 97 -12.494 -4.419 -11.054 1.00 0.00 C ATOM 1264 CD LYS A 97 -12.800 -5.064 -12.407 1.00 0.00 C ATOM 1265 CE LYS A 97 -14.254 -5.504 -12.441 1.00 0.00 C ATOM 1266 NZ LYS A 97 -15.148 -4.331 -11.931 1.00 0.00 N ATOM 0 H LYS A 97 -10.697 -5.799 -9.317 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.522 -3.716 -8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.844 -6.323 -10.092 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.151 -5.173 -9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.920 -3.416 -11.016 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.416 -4.312 -10.929 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.604 -4.356 -13.212 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.146 -5.920 -12.570 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.540 -5.783 -13.455 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.396 -6.386 -11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.027 -4.297 -12.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.378 -4.481 -10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.636 -3.432 -12.038 1.00 0.00 H new ATOM 1280 N ALA A 98 -13.025 -6.680 -7.192 1.00 0.00 N ATOM 1281 CA ALA A 98 -13.737 -7.348 -6.066 1.00 0.00 C ATOM 1282 C ALA A 98 -13.409 -6.623 -4.761 1.00 0.00 C ATOM 1283 O ALA A 98 -14.267 -6.252 -3.993 1.00 0.00 O ATOM 1284 CB ALA A 98 -13.250 -8.860 -5.993 1.00 0.00 C ATOM 0 H ALA A 98 -12.416 -7.287 -7.741 1.00 0.00 H new ATOM 0 HA ALA A 98 -14.815 -7.317 -6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -13.760 -9.367 -5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.482 -9.363 -6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.174 -8.888 -5.823 1.00 0.00 H new ATOM 1290 N THR A 99 -12.163 -6.412 -4.522 1.00 0.00 N ATOM 1291 CA THR A 99 -11.726 -5.709 -3.290 1.00 0.00 C ATOM 1292 C THR A 99 -12.388 -4.325 -3.252 1.00 0.00 C ATOM 1293 O THR A 99 -12.962 -3.905 -2.273 1.00 0.00 O ATOM 1294 CB THR A 99 -10.204 -5.580 -3.385 1.00 0.00 C ATOM 1295 OG1 THR A 99 -9.778 -6.107 -4.627 1.00 0.00 O ATOM 1296 CG2 THR A 99 -9.510 -6.386 -2.204 1.00 0.00 C ATOM 0 H THR A 99 -11.404 -6.701 -5.139 1.00 0.00 H new ATOM 0 HA THR A 99 -12.007 -6.245 -2.383 1.00 0.00 H new ATOM 0 HB THR A 99 -9.924 -4.530 -3.306 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.873 -6.472 -4.534 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.427 -6.286 -2.283 1.00 0.00 H new ATOM 0 HG22 THR A 99 -9.843 -5.986 -1.246 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.783 -7.439 -2.272 1.00 0.00 H new ATOM 1304 N THR A 100 -12.325 -3.628 -4.332 1.00 0.00 N ATOM 1305 CA THR A 100 -12.943 -2.281 -4.419 1.00 0.00 C ATOM 1306 C THR A 100 -14.436 -2.392 -4.069 1.00 0.00 C ATOM 1307 O THR A 100 -14.953 -1.678 -3.241 1.00 0.00 O ATOM 1308 CB THR A 100 -12.711 -1.791 -5.846 1.00 0.00 C ATOM 1309 OG1 THR A 100 -11.320 -1.838 -6.089 1.00 0.00 O ATOM 1310 CG2 THR A 100 -13.233 -0.303 -6.035 1.00 0.00 C ATOM 0 H THR A 100 -11.860 -3.937 -5.186 1.00 0.00 H new ATOM 0 HA THR A 100 -12.508 -1.569 -3.718 1.00 0.00 H new ATOM 0 HB THR A 100 -13.258 -2.424 -6.545 1.00 0.00 H new ATOM 0 HG1 THR A 100 -11.113 -2.608 -6.659 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.054 0.018 -7.061 1.00 0.00 H new ATOM 0 HG22 THR A 100 -14.302 -0.263 -5.823 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.702 0.358 -5.350 1.00 0.00 H new ATOM 1318 N ASP A 101 -15.121 -3.321 -4.662 1.00 0.00 N ATOM 1319 CA ASP A 101 -16.575 -3.526 -4.344 1.00 0.00 C ATOM 1320 C ASP A 101 -16.684 -3.988 -2.893 1.00 0.00 C ATOM 1321 O ASP A 101 -17.566 -3.596 -2.159 1.00 0.00 O ATOM 1322 CB ASP A 101 -17.124 -4.648 -5.234 1.00 0.00 C ATOM 1323 CG ASP A 101 -17.102 -4.238 -6.710 1.00 0.00 C ATOM 1324 OD1 ASP A 101 -16.997 -3.056 -6.975 1.00 0.00 O ATOM 1325 OD2 ASP A 101 -17.216 -5.108 -7.550 1.00 0.00 O ATOM 0 H ASP A 101 -14.742 -3.959 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 101 -17.129 -2.602 -4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -16.530 -5.551 -5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -18.144 -4.888 -4.935 1.00 0.00 H new ATOM 1330 N LEU A 102 -15.793 -4.841 -2.484 1.00 0.00 N ATOM 1331 CA LEU A 102 -15.829 -5.352 -1.087 1.00 0.00 C ATOM 1332 C LEU A 102 -15.479 -4.213 -0.138 1.00 0.00 C ATOM 1333 O LEU A 102 -16.092 -4.022 0.886 1.00 0.00 O ATOM 1334 CB LEU A 102 -14.851 -6.541 -0.961 1.00 0.00 C ATOM 1335 CG LEU A 102 -15.253 -7.506 0.168 1.00 0.00 C ATOM 1336 CD1 LEU A 102 -14.462 -8.880 0.021 1.00 0.00 C ATOM 1337 CD2 LEU A 102 -14.837 -6.836 1.567 1.00 0.00 C ATOM 0 H LEU A 102 -15.036 -5.210 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 102 -16.824 -5.712 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.817 -7.084 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.845 -6.164 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 102 -16.325 -7.697 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -14.754 -9.556 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.700 -9.336 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.390 -8.691 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -15.112 -7.502 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.760 -6.666 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -15.356 -5.885 1.683 1.00 0.00 H new ATOM 1349 N LEU A 103 -14.529 -3.418 -0.505 1.00 0.00 N ATOM 1350 CA LEU A 103 -14.145 -2.256 0.345 1.00 0.00 C ATOM 1351 C LEU A 103 -15.269 -1.217 0.307 1.00 0.00 C ATOM 1352 O LEU A 103 -15.500 -0.491 1.248 1.00 0.00 O ATOM 1353 CB LEU A 103 -12.820 -1.675 -0.198 1.00 0.00 C ATOM 1354 CG LEU A 103 -11.599 -2.377 0.412 1.00 0.00 C ATOM 1355 CD1 LEU A 103 -11.574 -3.907 -0.057 1.00 0.00 C ATOM 1356 CD2 LEU A 103 -10.278 -1.680 -0.145 1.00 0.00 C ATOM 0 H LEU A 103 -13.991 -3.518 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 103 -13.998 -2.557 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.795 -1.779 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.774 -0.608 0.021 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.650 -2.313 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.707 -4.406 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.484 -4.405 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.514 -3.953 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.402 -2.169 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.251 -1.767 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.277 -0.626 0.134 1.00 0.00 H new ATOM 1368 N HIS A 104 -16.002 -1.161 -0.766 1.00 0.00 N ATOM 1369 CA HIS A 104 -17.122 -0.173 -0.869 1.00 0.00 C ATOM 1370 C HIS A 104 -18.171 -0.513 0.196 1.00 0.00 C ATOM 1371 O HIS A 104 -18.816 0.340 0.761 1.00 0.00 O ATOM 1372 CB HIS A 104 -17.737 -0.268 -2.273 1.00 0.00 C ATOM 1373 CG HIS A 104 -18.801 0.786 -2.443 1.00 0.00 C ATOM 1374 ND1 HIS A 104 -18.503 2.144 -2.476 1.00 0.00 N ATOM 1375 CD2 HIS A 104 -20.155 0.696 -2.624 1.00 0.00 C ATOM 1376 CE1 HIS A 104 -19.662 2.805 -2.678 1.00 0.00 C ATOM 1377 NE2 HIS A 104 -20.696 1.978 -2.776 1.00 0.00 N ATOM 0 H HIS A 104 -15.877 -1.758 -1.584 1.00 0.00 H new ATOM 0 HA HIS A 104 -16.760 0.842 -0.707 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -16.962 -0.139 -3.028 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -18.167 -1.258 -2.424 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -20.720 -0.224 -2.646 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -19.739 3.880 -2.751 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -21.674 2.224 -2.929 1.00 0.00 H new ATOM 1386 N ALA A 105 -18.321 -1.761 0.499 1.00 0.00 N ATOM 1387 CA ALA A 105 -19.325 -2.167 1.525 1.00 0.00 C ATOM 1388 C ALA A 105 -18.647 -3.108 2.516 1.00 0.00 C ATOM 1389 O ALA A 105 -19.218 -4.051 2.998 1.00 0.00 O ATOM 1390 CB ALA A 105 -20.528 -2.916 0.804 1.00 0.00 C ATOM 0 H ALA A 105 -17.793 -2.528 0.083 1.00 0.00 H new ATOM 0 HA ALA A 105 -19.711 -1.294 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -21.267 -3.217 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -20.992 -2.246 0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -20.150 -3.800 0.290 1.00 0.00 H new ATOM 1396 N GLY A 106 -17.412 -2.844 2.822 1.00 0.00 N ATOM 1397 CA GLY A 106 -16.663 -3.700 3.791 1.00 0.00 C ATOM 1398 C GLY A 106 -15.605 -2.862 4.496 1.00 0.00 C ATOM 1399 O GLY A 106 -15.674 -2.612 5.678 1.00 0.00 O ATOM 0 H GLY A 106 -16.879 -2.063 2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -17.350 -4.128 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -16.194 -4.534 3.269 1.00 0.00 H new ATOM 1403 N PHE A 107 -14.622 -2.435 3.780 1.00 0.00 N ATOM 1404 CA PHE A 107 -13.540 -1.620 4.401 1.00 0.00 C ATOM 1405 C PHE A 107 -13.164 -0.474 3.460 1.00 0.00 C ATOM 1406 O PHE A 107 -13.368 -0.534 2.271 1.00 0.00 O ATOM 1407 CB PHE A 107 -12.311 -2.500 4.629 1.00 0.00 C ATOM 1408 CG PHE A 107 -12.616 -3.607 5.623 1.00 0.00 C ATOM 1409 CD1 PHE A 107 -13.148 -4.824 5.164 1.00 0.00 C ATOM 1410 CD2 PHE A 107 -12.382 -3.423 7.003 1.00 0.00 C ATOM 1411 CE1 PHE A 107 -13.466 -5.840 6.070 1.00 0.00 C ATOM 1412 CE2 PHE A 107 -12.706 -4.441 7.909 1.00 0.00 C ATOM 1413 CZ PHE A 107 -13.235 -5.657 7.443 1.00 0.00 C ATOM 0 H PHE A 107 -14.511 -2.612 2.782 1.00 0.00 H new ATOM 0 HA PHE A 107 -13.889 -1.218 5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -11.988 -2.934 3.683 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -11.486 -1.891 4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -13.312 -4.975 4.107 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -11.954 -2.498 7.360 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -13.890 -6.767 5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -12.549 -4.291 8.967 1.00 0.00 H new ATOM 0 HZ PHE A 107 -13.464 -6.450 8.140 1.00 0.00 H new ATOM 1423 N THR A 108 -12.616 0.578 3.985 1.00 0.00 N ATOM 1424 CA THR A 108 -12.232 1.725 3.116 1.00 0.00 C ATOM 1425 C THR A 108 -11.317 2.683 3.883 1.00 0.00 C ATOM 1426 O THR A 108 -10.735 2.343 4.886 1.00 0.00 O ATOM 1427 CB THR A 108 -13.477 2.498 2.666 1.00 0.00 C ATOM 1428 OG1 THR A 108 -13.075 3.499 1.772 1.00 0.00 O ATOM 1429 CG2 THR A 108 -14.206 3.192 3.895 1.00 0.00 C ATOM 0 H THR A 108 -12.416 0.698 4.978 1.00 0.00 H new ATOM 0 HA THR A 108 -11.712 1.328 2.244 1.00 0.00 H new ATOM 0 HB THR A 108 -14.170 1.797 2.201 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.274 3.205 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.084 3.731 3.540 1.00 0.00 H new ATOM 0 HG22 THR A 108 -14.513 2.431 4.613 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.522 3.890 4.377 1.00 0.00 H new ATOM 1437 N GLY A 109 -11.194 3.880 3.405 1.00 0.00 N ATOM 1438 CA GLY A 109 -10.312 4.892 4.071 1.00 0.00 C ATOM 1439 C GLY A 109 -8.867 4.611 3.688 1.00 0.00 C ATOM 1440 O GLY A 109 -7.941 5.000 4.357 1.00 0.00 O ATOM 0 H GLY A 109 -11.671 4.216 2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.595 5.899 3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.432 4.843 5.153 1.00 0.00 H new ATOM 1444 N VAL A 110 -8.670 3.919 2.615 1.00 0.00 N ATOM 1445 CA VAL A 110 -7.287 3.579 2.190 1.00 0.00 C ATOM 1446 C VAL A 110 -7.180 3.648 0.672 1.00 0.00 C ATOM 1447 O VAL A 110 -8.158 3.738 -0.026 1.00 0.00 O ATOM 1448 CB VAL A 110 -6.974 2.173 2.689 1.00 0.00 C ATOM 1449 CG1 VAL A 110 -8.155 1.627 3.615 1.00 0.00 C ATOM 1450 CG2 VAL A 110 -6.851 1.216 1.428 1.00 0.00 C ATOM 0 H VAL A 110 -9.409 3.569 2.005 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.572 4.287 2.609 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.050 2.197 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.912 0.622 3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.278 2.286 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.083 1.599 3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -6.627 0.203 1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -7.792 1.217 0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.050 1.570 0.779 1.00 0.00 H new ATOM 1460 N LYS A 111 -5.997 3.615 0.161 1.00 0.00 N ATOM 1461 CA LYS A 111 -5.830 3.695 -1.313 1.00 0.00 C ATOM 1462 C LYS A 111 -5.655 2.280 -1.865 1.00 0.00 C ATOM 1463 O LYS A 111 -5.143 1.395 -1.219 1.00 0.00 O ATOM 1464 CB LYS A 111 -4.612 4.578 -1.638 1.00 0.00 C ATOM 1465 CG LYS A 111 -4.896 6.008 -1.162 1.00 0.00 C ATOM 1466 CD LYS A 111 -3.731 6.923 -1.573 1.00 0.00 C ATOM 1467 CE LYS A 111 -3.941 8.335 -1.006 1.00 0.00 C ATOM 1468 NZ LYS A 111 -2.568 9.085 -1.010 1.00 0.00 N ATOM 0 H LYS A 111 -5.132 3.536 0.695 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.708 4.144 -1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.721 4.187 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.415 4.569 -2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.828 6.370 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -5.022 6.025 -0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.790 6.512 -1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.659 6.966 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -4.671 8.879 -1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -4.339 8.280 0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -2.695 10.044 -0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -1.887 8.565 -0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.208 9.145 -1.984 1.00 0.00 H new ATOM 1482 N ASP A 112 -6.103 2.070 -3.063 1.00 0.00 N ATOM 1483 CA ASP A 112 -6.005 0.717 -3.685 1.00 0.00 C ATOM 1484 C ASP A 112 -5.012 0.780 -4.831 1.00 0.00 C ATOM 1485 O ASP A 112 -5.268 1.352 -5.862 1.00 0.00 O ATOM 1486 CB ASP A 112 -7.365 0.260 -4.247 1.00 0.00 C ATOM 1487 CG ASP A 112 -7.886 -0.988 -3.517 1.00 0.00 C ATOM 1488 OD1 ASP A 112 -7.077 -1.834 -3.189 1.00 0.00 O ATOM 1489 OD2 ASP A 112 -9.073 -1.063 -3.269 1.00 0.00 O ATOM 0 H ASP A 112 -6.539 2.782 -3.649 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.685 0.009 -2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -8.090 1.068 -4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.267 0.046 -5.311 1.00 0.00 H new ATOM 1494 N ILE A 113 -3.882 0.205 -4.653 1.00 0.00 N ATOM 1495 CA ILE A 113 -2.860 0.219 -5.724 1.00 0.00 C ATOM 1496 C ILE A 113 -3.134 -0.892 -6.729 1.00 0.00 C ATOM 1497 O ILE A 113 -3.261 -2.043 -6.386 1.00 0.00 O ATOM 1498 CB ILE A 113 -1.490 0.020 -5.099 1.00 0.00 C ATOM 1499 CG1 ILE A 113 -1.182 1.221 -4.192 1.00 0.00 C ATOM 1500 CG2 ILE A 113 -0.426 -0.056 -6.285 1.00 0.00 C ATOM 1501 CD1 ILE A 113 0.242 1.032 -3.489 1.00 0.00 C ATOM 0 H ILE A 113 -3.608 -0.285 -3.801 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.895 1.175 -6.246 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.454 -0.892 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.187 2.140 -4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.959 1.322 -3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.572 -0.199 -5.870 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.670 -0.893 -6.940 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.452 0.872 -6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.449 1.890 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.233 0.124 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.017 0.954 -4.252 1.00 0.00 H new ATOM 1513 N VAL A 114 -3.246 -0.555 -7.972 1.00 0.00 N ATOM 1514 CA VAL A 114 -3.535 -1.594 -9.002 1.00 0.00 C ATOM 1515 C VAL A 114 -2.248 -1.968 -9.727 1.00 0.00 C ATOM 1516 O VAL A 114 -1.440 -1.133 -10.072 1.00 0.00 O ATOM 1517 CB VAL A 114 -4.554 -1.051 -10.019 1.00 0.00 C ATOM 1518 CG1 VAL A 114 -4.840 -2.168 -11.113 1.00 0.00 C ATOM 1519 CG2 VAL A 114 -5.933 -0.730 -9.283 1.00 0.00 C ATOM 0 H VAL A 114 -3.151 0.396 -8.329 1.00 0.00 H new ATOM 0 HA VAL A 114 -3.948 -2.476 -8.513 1.00 0.00 H new ATOM 0 HB VAL A 114 -4.151 -0.148 -10.477 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.562 -1.791 -11.838 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -3.912 -2.423 -11.624 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -5.243 -3.057 -10.628 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -6.651 -0.346 -10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -6.325 -1.641 -8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -5.766 0.017 -8.507 1.00 0.00 H new ATOM 1529 N GLY A 115 -2.072 -3.219 -9.963 1.00 0.00 N ATOM 1530 CA GLY A 115 -0.857 -3.696 -10.679 1.00 0.00 C ATOM 1531 C GLY A 115 -0.749 -5.210 -10.557 1.00 0.00 C ATOM 1532 O GLY A 115 -1.727 -5.923 -10.508 1.00 0.00 O ATOM 0 H GLY A 115 -2.724 -3.954 -9.690 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -0.906 -3.409 -11.729 1.00 0.00 H new ATOM 0 HA3 GLY A 115 0.032 -3.224 -10.261 1.00 0.00 H new ATOM 1536 N GLY A 116 0.444 -5.703 -10.516 1.00 0.00 N ATOM 1537 CA GLY A 116 0.653 -7.175 -10.403 1.00 0.00 C ATOM 1538 C GLY A 116 2.007 -7.452 -9.750 1.00 0.00 C ATOM 1539 O GLY A 116 2.728 -6.562 -9.364 1.00 0.00 O ATOM 0 H GLY A 116 1.300 -5.149 -10.556 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.146 -7.622 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.613 -7.635 -11.390 1.00 0.00 H new ATOM 1543 N TYR A 117 2.340 -8.693 -9.647 1.00 0.00 N ATOM 1544 CA TYR A 117 3.636 -9.118 -9.036 1.00 0.00 C ATOM 1545 C TYR A 117 4.793 -8.505 -9.812 1.00 0.00 C ATOM 1546 O TYR A 117 5.830 -8.188 -9.274 1.00 0.00 O ATOM 1547 CB TYR A 117 3.692 -10.644 -9.132 1.00 0.00 C ATOM 1548 CG TYR A 117 4.929 -11.218 -8.461 1.00 0.00 C ATOM 1549 CD1 TYR A 117 4.948 -11.445 -7.071 1.00 0.00 C ATOM 1550 CD2 TYR A 117 6.068 -11.504 -9.228 1.00 0.00 C ATOM 1551 CE1 TYR A 117 6.105 -11.937 -6.459 1.00 0.00 C ATOM 1552 CE2 TYR A 117 7.222 -11.991 -8.614 1.00 0.00 C ATOM 1553 CZ TYR A 117 7.244 -12.225 -7.230 1.00 0.00 C ATOM 1554 OH TYR A 117 8.388 -12.712 -6.630 1.00 0.00 O ATOM 0 H TYR A 117 1.756 -9.465 -9.968 1.00 0.00 H new ATOM 0 HA TYR A 117 3.710 -8.790 -7.999 1.00 0.00 H new ATOM 0 HB2 TYR A 117 2.801 -11.068 -8.670 1.00 0.00 H new ATOM 0 HB3 TYR A 117 3.679 -10.941 -10.181 1.00 0.00 H new ATOM 0 HD1 TYR A 117 4.069 -11.239 -6.478 1.00 0.00 H new ATOM 0 HD2 TYR A 117 6.052 -11.347 -10.296 1.00 0.00 H new ATOM 0 HE1 TYR A 117 6.123 -12.096 -5.391 1.00 0.00 H new ATOM 0 HE2 TYR A 117 8.103 -12.189 -9.206 1.00 0.00 H new ATOM 0 HH TYR A 117 9.078 -12.857 -7.311 1.00 0.00 H new ATOM 1564 N SER A 118 4.618 -8.343 -11.082 1.00 0.00 N ATOM 1565 CA SER A 118 5.703 -7.754 -11.920 1.00 0.00 C ATOM 1566 C SER A 118 6.088 -6.398 -11.362 1.00 0.00 C ATOM 1567 O SER A 118 7.218 -5.978 -11.430 1.00 0.00 O ATOM 1568 CB SER A 118 5.213 -7.606 -13.363 1.00 0.00 C ATOM 1569 OG SER A 118 6.278 -7.142 -14.182 1.00 0.00 O ATOM 0 H SER A 118 3.768 -8.592 -11.587 1.00 0.00 H new ATOM 0 HA SER A 118 6.574 -8.409 -11.906 1.00 0.00 H new ATOM 0 HB2 SER A 118 4.846 -8.563 -13.733 1.00 0.00 H new ATOM 0 HB3 SER A 118 4.378 -6.907 -13.404 1.00 0.00 H new ATOM 0 HG SER A 118 5.964 -7.049 -15.106 1.00 0.00 H new ATOM 1575 N ALA A 119 5.155 -5.712 -10.802 1.00 0.00 N ATOM 1576 CA ALA A 119 5.463 -4.377 -10.223 1.00 0.00 C ATOM 1577 C ALA A 119 6.477 -4.549 -9.098 1.00 0.00 C ATOM 1578 O ALA A 119 7.399 -3.787 -8.952 1.00 0.00 O ATOM 1579 CB ALA A 119 4.127 -3.746 -9.644 1.00 0.00 C ATOM 0 H ALA A 119 4.184 -6.011 -10.715 1.00 0.00 H new ATOM 0 HA ALA A 119 5.875 -3.720 -10.989 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.342 -2.767 -9.217 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.397 -3.639 -10.447 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.722 -4.398 -8.870 1.00 0.00 H new ATOM 1585 N TRP A 120 6.311 -5.565 -8.304 1.00 0.00 N ATOM 1586 CA TRP A 120 7.271 -5.818 -7.181 1.00 0.00 C ATOM 1587 C TRP A 120 8.641 -6.026 -7.802 1.00 0.00 C ATOM 1588 O TRP A 120 9.656 -5.639 -7.272 1.00 0.00 O ATOM 1589 CB TRP A 120 6.821 -7.077 -6.398 1.00 0.00 C ATOM 1590 CG TRP A 120 6.884 -6.847 -4.913 1.00 0.00 C ATOM 1591 CD1 TRP A 120 8.022 -6.735 -4.170 1.00 0.00 C ATOM 1592 CD2 TRP A 120 5.784 -6.740 -3.980 1.00 0.00 C ATOM 1593 NE1 TRP A 120 7.657 -6.568 -2.845 1.00 0.00 N ATOM 1594 CE2 TRP A 120 6.295 -6.580 -2.674 1.00 0.00 C ATOM 1595 CE3 TRP A 120 4.393 -6.813 -4.138 1.00 0.00 C ATOM 1596 CZ2 TRP A 120 5.445 -6.425 -1.569 1.00 0.00 C ATOM 1597 CZ3 TRP A 120 3.530 -6.663 -3.042 1.00 0.00 C ATOM 1598 CH2 TRP A 120 4.062 -6.500 -1.751 1.00 0.00 C ATOM 0 H TRP A 120 5.549 -6.239 -8.379 1.00 0.00 H new ATOM 0 HA TRP A 120 7.302 -4.982 -6.482 1.00 0.00 H new ATOM 0 HB2 TRP A 120 5.803 -7.342 -6.685 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.457 -7.921 -6.665 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.033 -6.770 -4.549 1.00 0.00 H new ATOM 0 HE1 TRP A 120 8.324 -6.450 -2.083 1.00 0.00 H new ATOM 0 HE3 TRP A 120 3.979 -6.988 -5.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.856 -6.249 -0.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 2.460 -6.673 -3.190 1.00 0.00 H new ATOM 0 HH2 TRP A 120 3.401 -6.433 -0.899 1.00 0.00 H new ATOM 1609 N ALA A 121 8.677 -6.606 -8.956 1.00 0.00 N ATOM 1610 CA ALA A 121 9.982 -6.833 -9.637 1.00 0.00 C ATOM 1611 C ALA A 121 10.690 -5.496 -9.799 1.00 0.00 C ATOM 1612 O ALA A 121 11.886 -5.385 -9.676 1.00 0.00 O ATOM 1613 CB ALA A 121 9.719 -7.461 -11.073 1.00 0.00 C ATOM 0 H ALA A 121 7.858 -6.937 -9.466 1.00 0.00 H new ATOM 0 HA ALA A 121 10.597 -7.512 -9.047 1.00 0.00 H new ATOM 0 HB1 ALA A 121 10.671 -7.629 -11.576 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.193 -8.410 -10.965 1.00 0.00 H new ATOM 0 HB3 ALA A 121 9.112 -6.775 -11.664 1.00 0.00 H new ATOM 1619 N LYS A 122 9.950 -4.466 -10.080 1.00 0.00 N ATOM 1620 CA LYS A 122 10.566 -3.120 -10.249 1.00 0.00 C ATOM 1621 C LYS A 122 11.336 -2.798 -8.968 1.00 0.00 C ATOM 1622 O LYS A 122 12.425 -2.272 -8.992 1.00 0.00 O ATOM 1623 CB LYS A 122 9.467 -2.079 -10.495 1.00 0.00 C ATOM 1624 CG LYS A 122 8.729 -2.420 -11.786 1.00 0.00 C ATOM 1625 CD LYS A 122 7.922 -1.200 -12.257 1.00 0.00 C ATOM 1626 CE LYS A 122 7.002 -0.712 -11.134 1.00 0.00 C ATOM 1627 NZ LYS A 122 5.855 0.145 -11.769 1.00 0.00 N ATOM 0 H LYS A 122 8.938 -4.496 -10.201 1.00 0.00 H new ATOM 0 HA LYS A 122 11.243 -3.105 -11.103 1.00 0.00 H new ATOM 0 HB2 LYS A 122 8.770 -2.064 -9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.903 -1.082 -10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 122 9.441 -2.717 -12.556 1.00 0.00 H new ATOM 0 HG3 LYS A 122 8.064 -3.268 -11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 122 8.599 -0.400 -12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.330 -1.462 -13.134 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.585 -1.560 -10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.565 -0.118 -10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.499 0.824 -11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.223 0.662 -12.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.080 -0.480 -12.070 1.00 0.00 H new ATOM 1641 N ASN A 123 10.794 -3.152 -7.837 1.00 0.00 N ATOM 1642 CA ASN A 123 11.514 -2.907 -6.541 1.00 0.00 C ATOM 1643 C ASN A 123 12.800 -3.722 -6.545 1.00 0.00 C ATOM 1644 O ASN A 123 13.889 -3.200 -6.528 1.00 0.00 O ATOM 1645 CB ASN A 123 10.650 -3.387 -5.376 1.00 0.00 C ATOM 1646 CG ASN A 123 9.287 -2.714 -5.385 1.00 0.00 C ATOM 1647 OD1 ASN A 123 8.277 -3.328 -5.123 1.00 0.00 O ATOM 1648 ND2 ASN A 123 9.221 -1.459 -5.695 1.00 0.00 N ATOM 0 H ASN A 123 9.883 -3.601 -7.746 1.00 0.00 H new ATOM 0 HA ASN A 123 11.724 -1.843 -6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 123 10.524 -4.468 -5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 123 11.156 -3.176 -4.434 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.317 -0.986 -5.719 1.00 0.00 H new ATOM 0 HD22 ASN A 123 10.073 -0.943 -5.916 1.00 0.00 H new ATOM 1655 N GLY A 124 12.671 -5.014 -6.550 1.00 0.00 N ATOM 1656 CA GLY A 124 13.872 -5.901 -6.555 1.00 0.00 C ATOM 1657 C GLY A 124 14.164 -6.342 -5.122 1.00 0.00 C ATOM 1658 O GLY A 124 15.228 -6.818 -4.807 1.00 0.00 O ATOM 0 H GLY A 124 11.776 -5.504 -6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 124 13.697 -6.770 -7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 124 14.730 -5.372 -6.969 1.00 0.00 H new ATOM 1662 N LEU A 125 13.218 -6.191 -4.247 1.00 0.00 N ATOM 1663 CA LEU A 125 13.444 -6.598 -2.828 1.00 0.00 C ATOM 1664 C LEU A 125 12.325 -7.544 -2.387 1.00 0.00 C ATOM 1665 O LEU A 125 11.441 -7.164 -1.655 1.00 0.00 O ATOM 1666 CB LEU A 125 13.455 -5.352 -1.928 1.00 0.00 C ATOM 1667 CG LEU A 125 14.621 -4.444 -2.351 1.00 0.00 C ATOM 1668 CD1 LEU A 125 14.282 -2.935 -1.975 1.00 0.00 C ATOM 1669 CD2 LEU A 125 15.938 -4.867 -1.552 1.00 0.00 C ATOM 0 H LEU A 125 12.296 -5.804 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 125 14.404 -7.108 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.510 -4.816 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.563 -5.642 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 125 14.777 -4.542 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 125 15.109 -2.291 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 125 13.374 -2.626 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.130 -2.853 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 125 16.767 -4.225 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.764 -4.761 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.184 -5.904 -1.779 1.00 0.00 H new ATOM 1681 N PRO A 126 12.338 -8.747 -2.884 1.00 0.00 N ATOM 1682 CA PRO A 126 11.303 -9.754 -2.548 1.00 0.00 C ATOM 1683 C PRO A 126 11.726 -10.696 -1.441 1.00 0.00 C ATOM 1684 O PRO A 126 12.671 -11.448 -1.564 1.00 0.00 O ATOM 1685 CB PRO A 126 11.096 -10.517 -3.863 1.00 0.00 C ATOM 1686 CG PRO A 126 12.327 -10.313 -4.684 1.00 0.00 C ATOM 1687 CD PRO A 126 13.267 -9.374 -3.914 1.00 0.00 C ATOM 0 HA PRO A 126 10.397 -9.281 -2.169 1.00 0.00 H new ATOM 0 HB2 PRO A 126 10.931 -11.577 -3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 126 10.216 -10.147 -4.389 1.00 0.00 H new ATOM 0 HG2 PRO A 126 12.817 -11.267 -4.877 1.00 0.00 H new ATOM 0 HG3 PRO A 126 12.071 -9.884 -5.653 1.00 0.00 H new ATOM 0 HD2 PRO A 126 14.087 -9.917 -3.443 1.00 0.00 H new ATOM 0 HD3 PRO A 126 13.715 -8.624 -4.566 1.00 0.00 H new ATOM 1695 N THR A 127 11.055 -10.657 -0.344 1.00 0.00 N ATOM 1696 CA THR A 127 11.405 -11.569 0.760 1.00 0.00 C ATOM 1697 C THR A 127 10.168 -12.359 1.162 1.00 0.00 C ATOM 1698 O THR A 127 9.103 -11.823 1.369 1.00 0.00 O ATOM 1699 CB THR A 127 11.912 -10.710 1.922 1.00 0.00 C ATOM 1700 OG1 THR A 127 10.897 -9.815 2.354 1.00 0.00 O ATOM 1701 CG2 THR A 127 13.158 -9.868 1.420 1.00 0.00 C ATOM 0 H THR A 127 10.273 -10.029 -0.160 1.00 0.00 H new ATOM 0 HA THR A 127 12.178 -12.279 0.465 1.00 0.00 H new ATOM 0 HB THR A 127 12.192 -11.357 2.753 1.00 0.00 H new ATOM 0 HG1 THR A 127 10.017 -10.205 2.171 1.00 0.00 H new ATOM 0 HG21 THR A 127 13.532 -9.250 2.236 1.00 0.00 H new ATOM 0 HG22 THR A 127 13.945 -10.545 1.088 1.00 0.00 H new ATOM 0 HG23 THR A 127 12.855 -9.229 0.590 1.00 0.00 H new ATOM 1709 N LYS A 128 10.304 -13.638 1.257 1.00 0.00 N ATOM 1710 CA LYS A 128 9.148 -14.491 1.624 1.00 0.00 C ATOM 1711 C LYS A 128 9.599 -15.940 1.669 1.00 0.00 C ATOM 1712 O LYS A 128 10.406 -16.384 0.893 1.00 0.00 O ATOM 1713 CB LYS A 128 8.021 -14.313 0.589 1.00 0.00 C ATOM 1714 CG LYS A 128 8.498 -14.663 -0.834 1.00 0.00 C ATOM 1715 CD LYS A 128 8.715 -13.390 -1.639 1.00 0.00 C ATOM 1716 CE LYS A 128 8.870 -13.738 -3.114 1.00 0.00 C ATOM 1717 NZ LYS A 128 8.743 -12.423 -3.950 1.00 0.00 N ATOM 0 H LYS A 128 11.176 -14.141 1.095 1.00 0.00 H new ATOM 0 HA LYS A 128 8.768 -14.201 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 128 7.176 -14.948 0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.665 -13.283 0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 128 9.425 -15.234 -0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 128 7.760 -15.294 -1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.872 -12.713 -1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 128 9.604 -12.869 -1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 128 9.837 -14.208 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 128 8.106 -14.454 -3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.229 -12.543 -4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 7.738 -12.214 -4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.177 -11.636 -3.427 1.00 0.00 H new ATOM 1731 N ALA A 129 9.116 -16.670 2.604 1.00 0.00 N ATOM 1732 CA ALA A 129 9.532 -18.088 2.737 1.00 0.00 C ATOM 1733 C ALA A 129 11.038 -18.170 3.070 1.00 0.00 C ATOM 1734 CB ALA A 129 9.243 -18.803 1.337 1.00 0.00 C ATOM 0 H ALA A 129 8.440 -16.351 3.298 1.00 0.00 H new ATOM 0 HA ALA A 129 8.981 -18.576 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 129 9.537 -19.851 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 129 8.179 -18.737 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 129 9.815 -18.309 0.551 1.00 0.00 H new TER 1740 ALA A 129