USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1035 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 89 LYS NZ :NH3+ 147:sc= 1.27 (180deg=-0.116) USER MOD Set 1.2: A 116 GLN : amide:sc= -1.52 K(o=-0.25,f=-11!) USER MOD Set 2.1: A 64 MET CE :methyl -168:sc= -7.95! (180deg=-8.38!) USER MOD Set 2.2: A 65 ASN : amide:sc= -11.5! C(o=-19!,f=-27!) USER MOD Set 3.1: A 5 HIS : no HD1:sc= 0.588 K(o=-0.44,f=-7.4!) USER MOD Set 3.2: A 12 GLN : amide:sc= -1.03 X(o=-0.44,f=-0.75) USER MOD Set 4.1: A 7 HIS : no HE2:sc= -0.599! C(o=-1.4!,f=-8.8!) USER MOD Set 4.2: A 10 HIS : no HD1:sc= -0.791 K(o=-1.4,f=-4.1!) USER MOD Set 5.1: A 1 MET N :NH3+ -156:sc= 1.23 (180deg=-0.0436) USER MOD Set 5.2: A 4 SER OG : rot -93:sc= 1.07 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0981 (180deg=-0.426) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc=-0.00452 X(o=-0.0045,f=-0.0045) USER MOD Single : A 8 HIS : no HD1:sc=-0.000461 X(o=-0.00046,f=0) USER MOD Single : A 9 HIS : no HE2:sc= -0.914 K(o=-0.91,f=-4.4!) USER MOD Single : A 11 SER OG : rot 98:sc= -0.575! USER MOD Single : A 15 MET CE :methyl -164:sc= -0.104 (180deg=-0.454) USER MOD Single : A 17 ASN : amide:sc= 1.17 K(o=1.2,f=-0.87) USER MOD Single : A 18 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.52) USER MOD Single : A 20 LYS NZ :NH3+ 142:sc= 1.76 (180deg=0.0786) USER MOD Single : A 22 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.63) USER MOD Single : A 23 SER OG : rot -49:sc= 1.18 USER MOD Single : A 24 SER OG : rot -4:sc= 1.13 USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= 1.24 (180deg=-1.4!) USER MOD Single : A 37 HIS : no HD1:sc= -4.03! C(o=-4!,f=-4.3!) USER MOD Single : A 38 CYS SG : rot -115:sc= -5.66! USER MOD Single : A 40 SER OG : rot 155:sc= 0.838 USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 0.711 (180deg=-0.0637) USER MOD Single : A 54 GLN : amide:sc= -13.2! C(o=-13!,f=-5.8!) USER MOD Single : A 67 SER OG : rot -39:sc= 0.412 USER MOD Single : A 68 LYS NZ :NH3+ -170:sc= 0.605 (180deg=0.538) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -5.09! C(o=-5.1!,f=-3.5!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0403 USER MOD Single : A 78 TYR OH : rot 107:sc= 0.285! USER MOD Single : A 79 THR OG1 : rot 98:sc= -1.89 USER MOD Single : A 80 SER OG : rot 90:sc= 1.26 USER MOD Single : A 81 SER OG : rot 60:sc= 0.32 USER MOD Single : A 84 TYR OH : rot -40:sc= -0.856 USER MOD Single : A 86 TYR OH : rot -28:sc= 0.0218 USER MOD Single : A 93 THR OG1 : rot -149:sc= 1.91 USER MOD Single : A 100 ASN : amide:sc= 0.943 K(o=0.94,f=-0.63) USER MOD Single : A 102 CYS SG : rot -19:sc= -0.6 USER MOD Single : A 108 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.053) USER MOD Single : A 109 HIS : no HE2:sc= -0.195 K(o=-0.2,f=-1.6) USER MOD Single : A 112 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.4!) USER MOD Single : A 115 LYS NZ :NH3+ -139:sc= 1.04 (180deg=0.206) USER MOD Single : A 121 LYS NZ :NH3+ 174:sc= -0.0485 (180deg=-0.155) USER MOD Single : A 125 GLN : amide:sc= -2.35! C(o=-2.4!,f=-2.6!) USER MOD Single : A 127 GLN : amide:sc= -0.718 K(o=-0.72,f=-5.7!) USER MOD Single : A 131 GLN : amide:sc= 0.993 K(o=0.99,f=-0.08) USER MOD Single : A 132 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.365 -14.185 21.042 1.00 0.00 N ATOM 2 CA MET A 1 -0.002 -13.935 20.561 1.00 0.00 C ATOM 3 C MET A 1 -0.562 -12.802 21.368 1.00 0.00 C ATOM 4 O MET A 1 -0.068 -12.553 22.463 1.00 0.00 O ATOM 5 CB MET A 1 -0.885 -15.182 20.731 1.00 0.00 C ATOM 6 CG MET A 1 -0.427 -16.393 19.928 1.00 0.00 C ATOM 7 SD MET A 1 -1.514 -17.818 20.116 1.00 0.00 S ATOM 8 CE MET A 1 -1.380 -18.170 21.873 1.00 0.00 C ATOM 0 H1 MET A 1 1.918 -14.645 20.291 1.00 0.00 H new ATOM 0 H2 MET A 1 1.813 -13.282 21.299 1.00 0.00 H new ATOM 0 H3 MET A 1 1.331 -14.805 21.877 1.00 0.00 H new ATOM 0 HA MET A 1 0.018 -13.690 19.499 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.913 -15.451 21.787 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.905 -14.932 20.439 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.372 -16.122 18.874 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.580 -16.668 20.240 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.777 -19.165 22.076 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.333 -18.128 22.174 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.949 -17.431 22.437 1.00 0.00 H new ATOM 20 N GLY A 2 -1.549 -12.109 20.841 1.00 0.00 N ATOM 21 CA GLY A 2 -2.126 -10.992 21.554 1.00 0.00 C ATOM 22 C GLY A 2 -1.265 -9.761 21.418 1.00 0.00 C ATOM 23 O GLY A 2 -0.918 -9.369 20.301 1.00 0.00 O ATOM 0 H GLY A 2 -1.965 -12.298 19.929 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.124 -10.786 21.168 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.238 -11.247 22.608 1.00 0.00 H new ATOM 27 N SER A 3 -0.844 -9.221 22.538 1.00 0.00 N ATOM 28 CA SER A 3 -0.042 -7.997 22.624 1.00 0.00 C ATOM 29 C SER A 3 1.439 -8.223 22.188 1.00 0.00 C ATOM 30 O SER A 3 2.359 -7.604 22.715 1.00 0.00 O ATOM 31 CB SER A 3 -0.101 -7.543 24.074 1.00 0.00 C ATOM 32 OG SER A 3 -1.448 -7.577 24.531 1.00 0.00 O ATOM 0 H SER A 3 -1.051 -9.626 23.451 1.00 0.00 H new ATOM 0 HA SER A 3 -0.443 -7.245 21.945 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.520 -8.190 24.694 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.299 -6.533 24.166 1.00 0.00 H new ATOM 0 HG SER A 3 -1.484 -7.286 25.466 1.00 0.00 H new ATOM 38 N SER A 4 1.639 -9.041 21.172 1.00 0.00 N ATOM 39 CA SER A 4 2.962 -9.349 20.674 1.00 0.00 C ATOM 40 C SER A 4 3.423 -8.283 19.669 1.00 0.00 C ATOM 41 O SER A 4 4.565 -8.282 19.216 1.00 0.00 O ATOM 42 CB SER A 4 2.950 -10.738 20.044 1.00 0.00 C ATOM 43 OG SER A 4 2.439 -11.688 20.985 1.00 0.00 O ATOM 0 H SER A 4 0.886 -9.510 20.669 1.00 0.00 H new ATOM 0 HA SER A 4 3.673 -9.345 21.500 1.00 0.00 H new ATOM 0 HB2 SER A 4 2.334 -10.735 19.144 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.958 -11.019 19.739 1.00 0.00 H new ATOM 0 HG SER A 4 3.183 -12.091 21.480 1.00 0.00 H new ATOM 49 N HIS A 5 2.539 -7.346 19.363 1.00 0.00 N ATOM 50 CA HIS A 5 2.844 -6.249 18.445 1.00 0.00 C ATOM 51 C HIS A 5 3.567 -5.158 19.258 1.00 0.00 C ATOM 52 O HIS A 5 3.131 -4.013 19.323 1.00 0.00 O ATOM 53 CB HIS A 5 1.528 -5.691 17.842 1.00 0.00 C ATOM 54 CG HIS A 5 1.692 -4.808 16.618 1.00 0.00 C ATOM 55 ND1 HIS A 5 2.247 -3.547 16.642 1.00 0.00 N ATOM 56 CD2 HIS A 5 1.359 -5.031 15.329 1.00 0.00 C ATOM 57 CE1 HIS A 5 2.240 -3.047 15.419 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.709 -3.927 14.618 1.00 0.00 N ATOM 0 H HIS A 5 1.592 -7.320 19.740 1.00 0.00 H new ATOM 0 HA HIS A 5 3.474 -6.590 17.623 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.885 -6.531 17.579 1.00 0.00 H new ATOM 0 HB3 HIS A 5 1.009 -5.121 18.613 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.898 -5.924 14.934 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.611 -2.074 15.132 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.577 -3.806 13.614 1.00 0.00 H new ATOM 67 N HIS A 6 4.690 -5.538 19.862 1.00 0.00 N ATOM 68 CA HIS A 6 5.431 -4.669 20.782 1.00 0.00 C ATOM 69 C HIS A 6 6.166 -3.546 20.034 1.00 0.00 C ATOM 70 O HIS A 6 6.711 -2.631 20.643 1.00 0.00 O ATOM 71 CB HIS A 6 6.393 -5.506 21.658 1.00 0.00 C ATOM 72 CG HIS A 6 6.976 -4.768 22.847 1.00 0.00 C ATOM 73 ND1 HIS A 6 6.345 -4.706 24.075 1.00 0.00 N ATOM 74 CD2 HIS A 6 8.136 -4.071 22.994 1.00 0.00 C ATOM 75 CE1 HIS A 6 7.083 -4.007 24.916 1.00 0.00 C ATOM 76 NE2 HIS A 6 8.174 -3.610 24.289 1.00 0.00 N ATOM 0 H HIS A 6 5.115 -6.456 19.730 1.00 0.00 H new ATOM 0 HA HIS A 6 4.713 -4.183 21.443 1.00 0.00 H new ATOM 0 HB2 HIS A 6 5.860 -6.385 22.020 1.00 0.00 H new ATOM 0 HB3 HIS A 6 7.212 -5.864 21.034 1.00 0.00 H new ATOM 0 HD2 HIS A 6 8.887 -3.910 22.235 1.00 0.00 H new ATOM 0 HE1 HIS A 6 6.835 -3.795 25.946 1.00 0.00 H new ATOM 0 HE2 HIS A 6 8.923 -3.052 24.698 1.00 0.00 H new ATOM 85 N HIS A 7 6.206 -3.638 18.727 1.00 0.00 N ATOM 86 CA HIS A 7 6.738 -2.559 17.926 1.00 0.00 C ATOM 87 C HIS A 7 5.598 -1.546 17.782 1.00 0.00 C ATOM 88 O HIS A 7 4.562 -1.884 17.231 1.00 0.00 O ATOM 89 CB HIS A 7 7.200 -3.043 16.527 1.00 0.00 C ATOM 90 CG HIS A 7 8.340 -4.059 16.492 1.00 0.00 C ATOM 91 ND1 HIS A 7 8.356 -5.135 15.632 1.00 0.00 N ATOM 92 CD2 HIS A 7 9.530 -4.109 17.159 1.00 0.00 C ATOM 93 CE1 HIS A 7 9.485 -5.802 15.766 1.00 0.00 C ATOM 94 NE2 HIS A 7 10.219 -5.203 16.683 1.00 0.00 N ATOM 0 H HIS A 7 5.878 -4.445 18.196 1.00 0.00 H new ATOM 0 HA HIS A 7 7.618 -2.129 18.404 1.00 0.00 H new ATOM 0 HB2 HIS A 7 6.341 -3.479 16.017 1.00 0.00 H new ATOM 0 HB3 HIS A 7 7.505 -2.170 15.949 1.00 0.00 H new ATOM 0 HD1 HIS A 7 7.605 -5.380 14.987 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.868 -3.419 17.918 1.00 0.00 H new ATOM 0 HE1 HIS A 7 9.762 -6.690 15.217 1.00 0.00 H new ATOM 103 N HIS A 8 5.774 -0.329 18.312 1.00 0.00 N ATOM 104 CA HIS A 8 4.669 0.659 18.347 1.00 0.00 C ATOM 105 C HIS A 8 4.203 1.082 16.943 1.00 0.00 C ATOM 106 O HIS A 8 3.037 1.383 16.751 1.00 0.00 O ATOM 107 CB HIS A 8 5.004 1.879 19.237 1.00 0.00 C ATOM 108 CG HIS A 8 3.815 2.785 19.509 1.00 0.00 C ATOM 109 ND1 HIS A 8 3.891 4.170 19.528 1.00 0.00 N ATOM 110 CD2 HIS A 8 2.516 2.485 19.803 1.00 0.00 C ATOM 111 CE1 HIS A 8 2.698 4.673 19.814 1.00 0.00 C ATOM 112 NE2 HIS A 8 1.853 3.674 19.983 1.00 0.00 N ATOM 0 H HIS A 8 6.651 -0.001 18.717 1.00 0.00 H new ATOM 0 HA HIS A 8 3.824 0.149 18.810 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.404 1.525 20.187 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.791 2.462 18.758 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.089 1.496 19.880 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.458 5.723 19.895 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.863 3.770 20.211 1.00 0.00 H new ATOM 121 N HIS A 9 5.122 1.155 16.002 1.00 0.00 N ATOM 122 CA HIS A 9 4.773 1.349 14.600 1.00 0.00 C ATOM 123 C HIS A 9 5.924 0.844 13.755 1.00 0.00 C ATOM 124 O HIS A 9 6.943 1.512 13.589 1.00 0.00 O ATOM 125 CB HIS A 9 4.292 2.810 14.210 1.00 0.00 C ATOM 126 CG HIS A 9 5.344 3.868 13.968 1.00 0.00 C ATOM 127 ND1 HIS A 9 5.542 4.440 12.726 1.00 0.00 N ATOM 128 CD2 HIS A 9 6.229 4.469 14.800 1.00 0.00 C ATOM 129 CE1 HIS A 9 6.502 5.341 12.805 1.00 0.00 C ATOM 130 NE2 HIS A 9 6.937 5.381 14.051 1.00 0.00 N ATOM 0 H HIS A 9 6.124 1.083 16.179 1.00 0.00 H new ATOM 0 HA HIS A 9 3.876 0.764 14.396 1.00 0.00 H new ATOM 0 HB2 HIS A 9 3.686 2.731 13.308 1.00 0.00 H new ATOM 0 HB3 HIS A 9 3.637 3.168 15.004 1.00 0.00 H new ATOM 0 HD1 HIS A 9 5.026 4.202 11.879 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.355 4.270 15.854 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.870 5.944 11.988 1.00 0.00 H new ATOM 139 N HIS A 10 5.781 -0.380 13.361 1.00 0.00 N ATOM 140 CA HIS A 10 6.722 -1.170 12.593 1.00 0.00 C ATOM 141 C HIS A 10 6.083 -2.526 12.592 1.00 0.00 C ATOM 142 O HIS A 10 5.286 -2.797 13.500 1.00 0.00 O ATOM 143 CB HIS A 10 8.130 -1.174 13.287 1.00 0.00 C ATOM 144 CG HIS A 10 9.235 -2.037 12.694 1.00 0.00 C ATOM 145 ND1 HIS A 10 9.939 -1.727 11.551 1.00 0.00 N ATOM 146 CD2 HIS A 10 9.814 -3.153 13.180 1.00 0.00 C ATOM 147 CE1 HIS A 10 10.902 -2.623 11.387 1.00 0.00 C ATOM 148 NE2 HIS A 10 10.839 -3.485 12.357 1.00 0.00 N ATOM 0 H HIS A 10 4.936 -0.908 13.581 1.00 0.00 H new ATOM 0 HA HIS A 10 6.907 -0.795 11.586 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.490 -0.145 13.310 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.987 -1.485 14.322 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.514 -3.689 14.069 1.00 0.00 H new ATOM 0 HE1 HIS A 10 11.620 -2.635 10.580 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.461 -4.284 12.480 1.00 0.00 H new ATOM 157 N SER A 11 6.380 -3.320 11.623 1.00 0.00 N ATOM 158 CA SER A 11 5.765 -4.613 11.429 1.00 0.00 C ATOM 159 C SER A 11 6.122 -5.608 12.523 1.00 0.00 C ATOM 160 O SER A 11 6.628 -5.267 13.622 1.00 0.00 O ATOM 161 CB SER A 11 6.178 -5.104 10.040 1.00 0.00 C ATOM 162 OG SER A 11 5.452 -6.240 9.621 1.00 0.00 O ATOM 0 H SER A 11 7.078 -3.092 10.915 1.00 0.00 H new ATOM 0 HA SER A 11 4.681 -4.520 11.492 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.034 -4.300 9.318 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.242 -5.341 10.045 1.00 0.00 H new ATOM 0 HG SER A 11 4.722 -5.962 9.029 1.00 0.00 H new ATOM 168 N GLN A 12 5.861 -6.815 12.218 1.00 0.00 N ATOM 169 CA GLN A 12 5.935 -7.888 13.123 1.00 0.00 C ATOM 170 C GLN A 12 7.038 -8.793 12.706 1.00 0.00 C ATOM 171 O GLN A 12 7.043 -10.000 12.947 1.00 0.00 O ATOM 172 CB GLN A 12 4.596 -8.544 13.149 1.00 0.00 C ATOM 173 CG GLN A 12 3.490 -7.544 13.502 1.00 0.00 C ATOM 174 CD GLN A 12 2.090 -8.135 13.407 1.00 0.00 C ATOM 175 OE1 GLN A 12 1.124 -7.432 13.157 1.00 0.00 O ATOM 176 NE2 GLN A 12 1.971 -9.429 13.588 1.00 0.00 N ATOM 0 H GLN A 12 5.575 -7.097 11.281 1.00 0.00 H new ATOM 0 HA GLN A 12 6.168 -7.568 14.139 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.389 -8.990 12.176 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.601 -9.355 13.877 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.653 -7.175 14.515 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.560 -6.685 12.835 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.795 -9.993 13.796 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.054 -9.871 13.521 1.00 0.00 H new ATOM 185 N ASP A 13 7.968 -8.153 12.114 1.00 0.00 N ATOM 186 CA ASP A 13 9.165 -8.640 11.697 1.00 0.00 C ATOM 187 C ASP A 13 10.101 -8.657 12.920 1.00 0.00 C ATOM 188 O ASP A 13 9.692 -8.248 14.022 1.00 0.00 O ATOM 189 CB ASP A 13 9.651 -7.630 10.665 1.00 0.00 C ATOM 190 CG ASP A 13 9.884 -6.246 11.223 1.00 0.00 C ATOM 191 OD1 ASP A 13 11.035 -5.892 11.512 1.00 0.00 O ATOM 192 OD2 ASP A 13 8.911 -5.487 11.409 1.00 0.00 O ATOM 0 H ASP A 13 7.868 -7.161 11.898 1.00 0.00 H new ATOM 0 HA ASP A 13 9.120 -9.644 11.276 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.579 -7.994 10.224 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.919 -7.568 9.860 1.00 0.00 H new ATOM 197 N PRO A 14 11.327 -9.142 12.775 1.00 0.00 N ATOM 198 CA PRO A 14 12.307 -9.144 13.856 1.00 0.00 C ATOM 199 C PRO A 14 12.867 -7.709 14.090 1.00 0.00 C ATOM 200 O PRO A 14 12.116 -6.744 14.283 1.00 0.00 O ATOM 201 CB PRO A 14 13.402 -10.109 13.303 1.00 0.00 C ATOM 202 CG PRO A 14 12.768 -10.779 12.126 1.00 0.00 C ATOM 203 CD PRO A 14 11.870 -9.742 11.559 1.00 0.00 C ATOM 0 HA PRO A 14 11.909 -9.455 14.822 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.299 -9.562 13.010 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.704 -10.837 14.056 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.515 -11.100 11.400 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.212 -11.668 12.425 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.411 -9.018 10.949 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.091 -10.172 10.929 1.00 0.00 H new ATOM 211 N MET A 15 14.168 -7.581 14.161 1.00 0.00 N ATOM 212 CA MET A 15 14.792 -6.320 14.273 1.00 0.00 C ATOM 213 C MET A 15 15.707 -6.133 13.082 1.00 0.00 C ATOM 214 O MET A 15 16.584 -5.274 13.069 1.00 0.00 O ATOM 215 CB MET A 15 15.544 -6.182 15.595 1.00 0.00 C ATOM 216 CG MET A 15 14.706 -6.294 16.800 1.00 0.00 C ATOM 217 SD MET A 15 13.445 -4.992 16.984 1.00 0.00 S ATOM 218 CE MET A 15 14.476 -3.521 17.051 1.00 0.00 C ATOM 0 H MET A 15 14.816 -8.368 14.141 1.00 0.00 H new ATOM 0 HA MET A 15 14.036 -5.535 14.274 1.00 0.00 H new ATOM 0 HB2 MET A 15 16.319 -6.947 15.637 1.00 0.00 H new ATOM 0 HB3 MET A 15 16.049 -5.216 15.610 1.00 0.00 H new ATOM 0 HG2 MET A 15 14.207 -7.263 16.789 1.00 0.00 H new ATOM 0 HG3 MET A 15 15.353 -6.279 17.677 1.00 0.00 H new ATOM 0 HE1 MET A 15 13.894 -2.686 17.441 1.00 0.00 H new ATOM 0 HE2 MET A 15 15.329 -3.704 17.704 1.00 0.00 H new ATOM 0 HE3 MET A 15 14.831 -3.279 16.049 1.00 0.00 H new ATOM 228 N GLU A 16 15.430 -6.933 12.078 1.00 0.00 N ATOM 229 CA GLU A 16 16.160 -7.041 10.848 1.00 0.00 C ATOM 230 C GLU A 16 15.340 -7.991 9.999 1.00 0.00 C ATOM 231 O GLU A 16 14.210 -8.269 10.377 1.00 0.00 O ATOM 232 CB GLU A 16 17.633 -7.522 11.105 1.00 0.00 C ATOM 233 CG GLU A 16 17.825 -8.860 11.851 1.00 0.00 C ATOM 234 CD GLU A 16 17.589 -10.072 10.983 1.00 0.00 C ATOM 235 OE1 GLU A 16 16.563 -10.755 11.163 1.00 0.00 O ATOM 236 OE2 GLU A 16 18.421 -10.320 10.087 1.00 0.00 O ATOM 0 H GLU A 16 14.632 -7.567 12.107 1.00 0.00 H new ATOM 0 HA GLU A 16 16.285 -6.087 10.336 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.135 -7.599 10.141 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.147 -6.745 11.670 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.838 -8.901 12.252 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.144 -8.894 12.701 1.00 0.00 H new ATOM 243 N ASN A 17 15.871 -8.510 8.924 1.00 0.00 N ATOM 244 CA ASN A 17 15.118 -9.381 8.078 1.00 0.00 C ATOM 245 C ASN A 17 16.052 -10.224 7.277 1.00 0.00 C ATOM 246 O ASN A 17 16.699 -9.790 6.299 1.00 0.00 O ATOM 247 CB ASN A 17 14.176 -8.634 7.193 1.00 0.00 C ATOM 248 CG ASN A 17 13.262 -9.527 6.362 1.00 0.00 C ATOM 249 OD1 ASN A 17 13.018 -10.695 6.703 1.00 0.00 O ATOM 250 ND2 ASN A 17 12.668 -8.960 5.347 1.00 0.00 N ATOM 0 H ASN A 17 16.829 -8.340 8.617 1.00 0.00 H new ATOM 0 HA ASN A 17 14.504 -10.022 8.711 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.562 -7.976 7.808 1.00 0.00 H new ATOM 0 HB3 ASN A 17 14.753 -7.998 6.522 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.978 -9.479 4.805 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.894 -7.998 5.096 1.00 0.00 H new ATOM 257 N GLN A 18 16.209 -11.348 7.783 1.00 0.00 N ATOM 258 CA GLN A 18 16.981 -12.410 7.279 1.00 0.00 C ATOM 259 C GLN A 18 16.519 -12.954 5.882 1.00 0.00 C ATOM 260 O GLN A 18 17.317 -12.940 4.938 1.00 0.00 O ATOM 261 CB GLN A 18 17.031 -13.467 8.340 1.00 0.00 C ATOM 262 CG GLN A 18 18.159 -13.323 9.314 1.00 0.00 C ATOM 263 CD GLN A 18 19.515 -13.214 8.642 1.00 0.00 C ATOM 264 OE1 GLN A 18 19.769 -13.811 7.590 1.00 0.00 O ATOM 265 NE2 GLN A 18 20.337 -12.359 9.168 1.00 0.00 N ATOM 0 H GLN A 18 15.756 -11.596 8.663 1.00 0.00 H new ATOM 0 HA GLN A 18 17.984 -12.042 7.061 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.090 -13.455 8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.107 -14.442 7.859 1.00 0.00 H new ATOM 0 HG2 GLN A 18 17.991 -12.437 9.927 1.00 0.00 H new ATOM 0 HG3 GLN A 18 18.162 -14.180 9.987 1.00 0.00 H new ATOM 0 HE21 GLN A 18 20.093 -11.885 10.038 1.00 0.00 H new ATOM 0 HE22 GLN A 18 21.227 -12.160 8.712 1.00 0.00 H new ATOM 274 N PRO A 19 15.301 -13.517 5.726 1.00 0.00 N ATOM 275 CA PRO A 19 14.772 -13.877 4.403 1.00 0.00 C ATOM 276 C PRO A 19 14.612 -12.686 3.455 1.00 0.00 C ATOM 277 O PRO A 19 13.885 -11.748 3.728 1.00 0.00 O ATOM 278 CB PRO A 19 13.403 -14.486 4.705 1.00 0.00 C ATOM 279 CG PRO A 19 13.485 -14.944 6.101 1.00 0.00 C ATOM 280 CD PRO A 19 14.401 -13.984 6.792 1.00 0.00 C ATOM 0 HA PRO A 19 15.460 -14.548 3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.608 -13.751 4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.183 -15.314 4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.501 -14.951 6.569 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.871 -15.962 6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.849 -13.157 7.238 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.954 -14.469 7.596 1.00 0.00 H new ATOM 288 N LYS A 20 15.377 -12.708 2.374 1.00 0.00 N ATOM 289 CA LYS A 20 15.284 -11.807 1.355 1.00 0.00 C ATOM 290 C LYS A 20 13.971 -11.909 0.589 1.00 0.00 C ATOM 291 O LYS A 20 13.301 -12.923 0.628 1.00 0.00 O ATOM 292 CB LYS A 20 16.483 -12.011 0.494 1.00 0.00 C ATOM 293 CG LYS A 20 17.813 -11.744 1.227 1.00 0.00 C ATOM 294 CD LYS A 20 17.803 -10.395 1.915 1.00 0.00 C ATOM 295 CE LYS A 20 17.342 -10.399 3.358 1.00 0.00 C ATOM 296 NZ LYS A 20 18.431 -10.621 4.346 1.00 0.00 N ATOM 0 H LYS A 20 16.101 -13.411 2.225 1.00 0.00 H new ATOM 0 HA LYS A 20 15.271 -10.790 1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.482 -13.034 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.415 -11.353 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.988 -12.528 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 20 18.637 -11.785 0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 20 18.810 -9.980 1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.158 -9.723 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.858 -9.447 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.588 -11.176 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.266 -10.028 5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.445 -11.622 4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.345 -10.369 3.918 1.00 0.00 H new ATOM 310 N LEU A 21 13.639 -10.822 -0.070 1.00 0.00 N ATOM 311 CA LEU A 21 12.412 -10.592 -0.764 1.00 0.00 C ATOM 312 C LEU A 21 12.112 -11.556 -1.866 1.00 0.00 C ATOM 313 O LEU A 21 11.068 -12.175 -1.884 1.00 0.00 O ATOM 314 CB LEU A 21 12.570 -9.228 -1.290 1.00 0.00 C ATOM 315 CG LEU A 21 12.912 -8.206 -0.313 1.00 0.00 C ATOM 316 CD1 LEU A 21 12.427 -6.994 -0.712 1.00 0.00 C ATOM 317 CD2 LEU A 21 12.391 -8.445 0.965 1.00 0.00 C ATOM 0 H LEU A 21 14.271 -10.024 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 21 11.565 -10.726 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.344 -9.243 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.640 -8.938 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 21 14.000 -8.223 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.689 -6.236 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.862 -6.727 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.343 -7.049 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.689 -7.640 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.303 -8.489 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.774 -9.393 1.343 1.00 0.00 H new ATOM 329 N ASN A 22 13.001 -11.580 -2.832 1.00 0.00 N ATOM 330 CA ASN A 22 13.012 -12.536 -3.940 1.00 0.00 C ATOM 331 C ASN A 22 11.884 -12.274 -4.906 1.00 0.00 C ATOM 332 O ASN A 22 11.535 -13.121 -5.710 1.00 0.00 O ATOM 333 CB ASN A 22 12.979 -13.940 -3.400 1.00 0.00 C ATOM 334 CG ASN A 22 13.976 -14.129 -2.355 1.00 0.00 C ATOM 335 OD1 ASN A 22 15.082 -13.571 -2.384 1.00 0.00 O ATOM 336 ND2 ASN A 22 13.615 -14.840 -1.411 1.00 0.00 N ATOM 0 H ASN A 22 13.771 -10.912 -2.879 1.00 0.00 H new ATOM 0 HA ASN A 22 13.936 -12.410 -4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.987 -14.156 -3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.159 -14.648 -4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.237 -14.986 -0.616 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.695 -15.281 -1.427 1.00 0.00 H new ATOM 343 N SER A 23 11.342 -11.067 -4.781 1.00 0.00 N ATOM 344 CA SER A 23 10.350 -10.446 -5.658 1.00 0.00 C ATOM 345 C SER A 23 8.896 -10.667 -5.217 1.00 0.00 C ATOM 346 O SER A 23 8.491 -11.746 -4.799 1.00 0.00 O ATOM 347 CB SER A 23 10.584 -10.695 -7.196 1.00 0.00 C ATOM 348 OG SER A 23 10.210 -11.990 -7.612 1.00 0.00 O ATOM 0 H SER A 23 11.602 -10.452 -4.010 1.00 0.00 H new ATOM 0 HA SER A 23 10.527 -9.378 -5.527 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.018 -9.959 -7.767 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.637 -10.536 -7.427 1.00 0.00 H new ATOM 0 HG SER A 23 10.598 -12.654 -7.004 1.00 0.00 H new ATOM 354 N SER A 24 8.165 -9.585 -5.272 1.00 0.00 N ATOM 355 CA SER A 24 6.753 -9.468 -4.989 1.00 0.00 C ATOM 356 C SER A 24 6.326 -9.550 -3.504 1.00 0.00 C ATOM 357 O SER A 24 6.605 -8.644 -2.744 1.00 0.00 O ATOM 358 CB SER A 24 5.837 -10.250 -5.962 1.00 0.00 C ATOM 359 OG SER A 24 6.025 -11.657 -5.873 1.00 0.00 O ATOM 0 H SER A 24 8.572 -8.688 -5.537 1.00 0.00 H new ATOM 0 HA SER A 24 6.572 -8.416 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.795 -10.011 -5.747 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.034 -9.924 -6.983 1.00 0.00 H new ATOM 0 HG SER A 24 6.752 -11.851 -5.245 1.00 0.00 H new ATOM 365 N LYS A 25 5.737 -10.647 -3.097 1.00 0.00 N ATOM 366 CA LYS A 25 5.118 -10.812 -1.857 1.00 0.00 C ATOM 367 C LYS A 25 5.966 -10.430 -0.697 1.00 0.00 C ATOM 368 O LYS A 25 5.639 -9.518 0.064 1.00 0.00 O ATOM 369 CB LYS A 25 4.816 -12.238 -1.767 1.00 0.00 C ATOM 370 CG LYS A 25 4.464 -12.634 -0.405 1.00 0.00 C ATOM 371 CD LYS A 25 3.300 -13.477 -0.334 1.00 0.00 C ATOM 372 CE LYS A 25 3.554 -14.752 -1.087 1.00 0.00 C ATOM 373 NZ LYS A 25 4.806 -15.443 -0.634 1.00 0.00 N ATOM 0 H LYS A 25 5.688 -11.485 -3.677 1.00 0.00 H new ATOM 0 HA LYS A 25 4.245 -10.161 -1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.992 -12.478 -2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.679 -12.814 -2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.309 -13.157 0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.291 -11.738 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.062 -13.699 0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.438 -12.960 -0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.705 -15.423 -0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.628 -14.533 -2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.728 -16.463 -0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.622 -15.057 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.938 -15.289 0.386 1.00 0.00 H new ATOM 387 N GLU A 26 7.023 -11.138 -0.563 1.00 0.00 N ATOM 388 CA GLU A 26 7.904 -10.962 0.553 1.00 0.00 C ATOM 389 C GLU A 26 8.598 -9.571 0.561 1.00 0.00 C ATOM 390 O GLU A 26 9.288 -9.217 1.499 1.00 0.00 O ATOM 391 CB GLU A 26 8.924 -12.111 0.702 1.00 0.00 C ATOM 392 CG GLU A 26 8.414 -13.436 1.324 1.00 0.00 C ATOM 393 CD GLU A 26 7.236 -14.095 0.622 1.00 0.00 C ATOM 394 OE1 GLU A 26 6.293 -14.556 1.314 1.00 0.00 O ATOM 395 OE2 GLU A 26 7.184 -14.151 -0.639 1.00 0.00 O ATOM 0 H GLU A 26 7.313 -11.862 -1.221 1.00 0.00 H new ATOM 0 HA GLU A 26 7.263 -10.998 1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.327 -12.335 -0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.753 -11.750 1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.241 -14.146 1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.132 -13.243 2.359 1.00 0.00 H new ATOM 402 N VAL A 27 8.391 -8.783 -0.472 1.00 0.00 N ATOM 403 CA VAL A 27 8.923 -7.448 -0.493 1.00 0.00 C ATOM 404 C VAL A 27 7.929 -6.507 0.047 1.00 0.00 C ATOM 405 O VAL A 27 8.290 -5.443 0.423 1.00 0.00 O ATOM 406 CB VAL A 27 9.456 -7.000 -1.843 1.00 0.00 C ATOM 407 CG1 VAL A 27 9.661 -8.153 -2.662 1.00 0.00 C ATOM 408 CG2 VAL A 27 8.622 -6.002 -2.478 1.00 0.00 C ATOM 0 H VAL A 27 7.860 -9.047 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 27 9.803 -7.455 0.150 1.00 0.00 H new ATOM 0 HB VAL A 27 10.411 -6.497 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.044 -7.845 -3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.381 -8.817 -2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.715 -8.678 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.056 -5.723 -3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.623 -6.409 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.558 -5.121 -1.839 1.00 0.00 H new ATOM 418 N ILE A 28 6.642 -6.911 0.121 1.00 0.00 N ATOM 419 CA ILE A 28 5.697 -6.142 0.841 1.00 0.00 C ATOM 420 C ILE A 28 6.140 -6.152 2.205 1.00 0.00 C ATOM 421 O ILE A 28 6.067 -5.195 2.896 1.00 0.00 O ATOM 422 CB ILE A 28 4.335 -6.790 0.810 1.00 0.00 C ATOM 423 CG1 ILE A 28 3.716 -6.654 -0.521 1.00 0.00 C ATOM 424 CG2 ILE A 28 3.379 -6.282 1.932 1.00 0.00 C ATOM 425 CD1 ILE A 28 3.891 -5.287 -1.101 1.00 0.00 C ATOM 0 H ILE A 28 6.272 -7.757 -0.313 1.00 0.00 H new ATOM 0 HA ILE A 28 5.622 -5.143 0.411 1.00 0.00 H new ATOM 0 HB ILE A 28 4.498 -7.848 1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.152 -7.390 -1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.652 -6.880 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.418 -6.790 1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.818 -6.493 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.231 -5.207 1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.416 -5.244 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.431 -4.551 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.954 -5.069 -1.203 1.00 0.00 H new ATOM 437 N ALA A 29 6.578 -7.279 2.564 1.00 0.00 N ATOM 438 CA ALA A 29 7.129 -7.509 3.794 1.00 0.00 C ATOM 439 C ALA A 29 8.336 -6.640 4.068 1.00 0.00 C ATOM 440 O ALA A 29 8.452 -6.102 5.154 1.00 0.00 O ATOM 441 CB ALA A 29 7.380 -8.915 3.941 1.00 0.00 C ATOM 0 H ALA A 29 6.554 -8.104 1.964 1.00 0.00 H new ATOM 0 HA ALA A 29 6.417 -7.213 4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.820 -9.106 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.442 -9.463 3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.069 -9.245 3.163 1.00 0.00 H new ATOM 447 N PHE A 30 9.196 -6.465 3.081 1.00 0.00 N ATOM 448 CA PHE A 30 10.260 -5.542 3.214 1.00 0.00 C ATOM 449 C PHE A 30 9.695 -4.175 3.325 1.00 0.00 C ATOM 450 O PHE A 30 10.053 -3.423 4.159 1.00 0.00 O ATOM 451 CB PHE A 30 11.081 -5.620 2.006 1.00 0.00 C ATOM 452 CG PHE A 30 11.626 -4.364 1.545 1.00 0.00 C ATOM 453 CD1 PHE A 30 12.579 -3.706 2.260 1.00 0.00 C ATOM 454 CD2 PHE A 30 11.166 -3.838 0.386 1.00 0.00 C ATOM 455 CE1 PHE A 30 13.073 -2.537 1.814 1.00 0.00 C ATOM 456 CE2 PHE A 30 11.648 -2.685 -0.045 1.00 0.00 C ATOM 457 CZ PHE A 30 12.606 -2.027 0.664 1.00 0.00 C ATOM 0 H PHE A 30 9.162 -6.958 2.189 1.00 0.00 H new ATOM 0 HA PHE A 30 10.857 -5.768 4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.906 -6.308 2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.480 -6.051 1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.940 -4.124 3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.409 -4.357 -0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.835 -2.016 2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.279 -2.261 -0.967 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.993 -1.087 0.298 1.00 0.00 H new ATOM 467 N LEU A 31 8.797 -3.875 2.445 1.00 0.00 N ATOM 468 CA LEU A 31 8.161 -2.624 2.391 1.00 0.00 C ATOM 469 C LEU A 31 7.566 -2.292 3.690 1.00 0.00 C ATOM 470 O LEU A 31 7.575 -1.214 4.103 1.00 0.00 O ATOM 471 CB LEU A 31 7.119 -2.702 1.324 1.00 0.00 C ATOM 472 CG LEU A 31 7.657 -2.610 -0.028 1.00 0.00 C ATOM 473 CD1 LEU A 31 6.578 -2.508 -1.004 1.00 0.00 C ATOM 474 CD2 LEU A 31 8.602 -1.478 -0.135 1.00 0.00 C ATOM 0 H LEU A 31 8.484 -4.525 1.724 1.00 0.00 H new ATOM 0 HA LEU A 31 8.877 -1.835 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.576 -3.642 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.397 -1.899 1.474 1.00 0.00 H new ATOM 0 HG LEU A 31 8.212 -3.522 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.000 -2.440 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.942 -3.391 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.985 -1.617 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.993 -1.425 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.085 -0.549 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.426 -1.624 0.564 1.00 0.00 H new ATOM 486 N ALA A 32 7.121 -3.259 4.322 1.00 0.00 N ATOM 487 CA ALA A 32 6.488 -3.133 5.575 1.00 0.00 C ATOM 488 C ALA A 32 7.426 -3.039 6.745 1.00 0.00 C ATOM 489 O ALA A 32 7.084 -2.452 7.781 1.00 0.00 O ATOM 490 CB ALA A 32 5.647 -4.266 5.697 1.00 0.00 C ATOM 0 H ALA A 32 7.178 -4.220 3.986 1.00 0.00 H new ATOM 0 HA ALA A 32 5.941 -2.190 5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.124 -4.230 6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.920 -4.269 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.249 -5.173 5.648 1.00 0.00 H new ATOM 496 N GLU A 33 8.594 -3.582 6.597 1.00 0.00 N ATOM 497 CA GLU A 33 9.544 -3.549 7.664 1.00 0.00 C ATOM 498 C GLU A 33 10.152 -2.156 7.682 1.00 0.00 C ATOM 499 O GLU A 33 10.412 -1.517 8.705 1.00 0.00 O ATOM 500 CB GLU A 33 10.582 -4.635 7.450 1.00 0.00 C ATOM 501 CG GLU A 33 11.558 -4.332 6.350 1.00 0.00 C ATOM 502 CD GLU A 33 12.748 -5.242 6.175 1.00 0.00 C ATOM 503 OE1 GLU A 33 13.830 -4.882 6.695 1.00 0.00 O ATOM 504 OE2 GLU A 33 12.651 -6.243 5.442 1.00 0.00 O ATOM 0 H GLU A 33 8.912 -4.052 5.750 1.00 0.00 H new ATOM 0 HA GLU A 33 9.081 -3.745 8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.132 -4.787 8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.073 -5.572 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.006 -4.323 5.410 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.934 -3.321 6.509 1.00 0.00 H new ATOM 511 N ARG A 34 10.235 -1.713 6.513 1.00 0.00 N ATOM 512 CA ARG A 34 10.808 -0.529 6.073 1.00 0.00 C ATOM 513 C ARG A 34 9.859 0.639 6.183 1.00 0.00 C ATOM 514 O ARG A 34 10.274 1.741 6.521 1.00 0.00 O ATOM 515 CB ARG A 34 11.175 -0.824 4.648 1.00 0.00 C ATOM 516 CG ARG A 34 12.522 -0.473 4.269 1.00 0.00 C ATOM 517 CD ARG A 34 13.491 -1.348 4.997 1.00 0.00 C ATOM 518 NE ARG A 34 14.822 -1.318 4.442 1.00 0.00 N ATOM 519 CZ ARG A 34 15.815 -2.147 4.790 1.00 0.00 C ATOM 520 NH1 ARG A 34 15.579 -3.239 5.546 1.00 0.00 N ATOM 521 NH2 ARG A 34 17.034 -1.919 4.342 1.00 0.00 N ATOM 0 H ARG A 34 9.850 -2.245 5.733 1.00 0.00 H new ATOM 0 HA ARG A 34 11.667 -0.232 6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.031 -1.889 4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.482 -0.293 3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.650 -0.588 3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.715 0.574 4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.534 -1.039 6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.123 -2.374 4.983 1.00 0.00 H new ATOM 0 HE ARG A 34 15.022 -0.613 3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.632 -3.445 5.863 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.348 -3.859 5.801 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.213 -1.118 3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.798 -2.544 4.601 1.00 0.00 H new ATOM 535 N PHE A 35 8.608 0.420 5.859 1.00 0.00 N ATOM 536 CA PHE A 35 7.602 1.438 5.953 1.00 0.00 C ATOM 537 C PHE A 35 6.550 1.248 7.035 1.00 0.00 C ATOM 538 O PHE A 35 5.431 0.782 6.745 1.00 0.00 O ATOM 539 CB PHE A 35 6.980 1.546 4.615 1.00 0.00 C ATOM 540 CG PHE A 35 7.874 2.170 3.665 1.00 0.00 C ATOM 541 CD1 PHE A 35 8.405 1.431 2.673 1.00 0.00 C ATOM 542 CD2 PHE A 35 8.267 3.470 3.804 1.00 0.00 C ATOM 543 CE1 PHE A 35 9.292 1.941 1.831 1.00 0.00 C ATOM 544 CE2 PHE A 35 9.168 4.014 2.933 1.00 0.00 C ATOM 545 CZ PHE A 35 9.692 3.234 1.929 1.00 0.00 C ATOM 0 H PHE A 35 8.261 -0.478 5.521 1.00 0.00 H new ATOM 0 HA PHE A 35 8.098 2.357 6.265 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.704 0.553 4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.060 2.126 4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.102 0.401 2.561 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.864 4.071 4.606 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.704 1.316 1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.466 5.047 3.032 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.408 3.643 1.232 1.00 0.00 H new ATOM 555 N PRO A 36 6.908 1.566 8.309 1.00 0.00 N ATOM 556 CA PRO A 36 5.994 1.666 9.460 1.00 0.00 C ATOM 557 C PRO A 36 4.757 2.626 9.287 1.00 0.00 C ATOM 558 O PRO A 36 4.317 3.259 10.279 1.00 0.00 O ATOM 559 CB PRO A 36 6.908 2.279 10.534 1.00 0.00 C ATOM 560 CG PRO A 36 8.188 2.577 9.912 1.00 0.00 C ATOM 561 CD PRO A 36 8.289 1.694 8.777 1.00 0.00 C ATOM 0 HA PRO A 36 5.549 0.691 9.660 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.462 3.186 10.943 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.039 1.586 11.365 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.238 3.621 9.601 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.009 2.413 10.610 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.936 2.109 8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.707 0.727 9.058 1.00 0.00 H new ATOM 569 N HIS A 37 4.228 2.754 8.086 1.00 0.00 N ATOM 570 CA HIS A 37 2.978 3.467 7.857 1.00 0.00 C ATOM 571 C HIS A 37 2.259 2.758 6.782 1.00 0.00 C ATOM 572 O HIS A 37 1.151 2.312 6.954 1.00 0.00 O ATOM 573 CB HIS A 37 3.094 4.980 7.433 1.00 0.00 C ATOM 574 CG HIS A 37 1.834 5.776 7.643 1.00 0.00 C ATOM 575 ND1 HIS A 37 1.811 7.015 8.253 1.00 0.00 N ATOM 576 CD2 HIS A 37 0.568 5.522 7.273 1.00 0.00 C ATOM 577 CE1 HIS A 37 0.573 7.483 8.250 1.00 0.00 C ATOM 578 NE2 HIS A 37 -0.208 6.596 7.653 1.00 0.00 N ATOM 0 H HIS A 37 4.648 2.369 7.240 1.00 0.00 H new ATOM 0 HA HIS A 37 2.469 3.478 8.821 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.902 5.444 7.999 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.372 5.031 6.380 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.220 4.634 6.767 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.254 8.428 8.664 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.212 6.691 7.500 1.00 0.00 H new ATOM 587 N CYS A 38 2.900 2.731 5.677 1.00 0.00 N ATOM 588 CA CYS A 38 2.395 2.189 4.488 1.00 0.00 C ATOM 589 C CYS A 38 2.026 0.739 4.599 1.00 0.00 C ATOM 590 O CYS A 38 0.879 0.344 4.422 1.00 0.00 O ATOM 591 CB CYS A 38 3.459 2.299 3.423 1.00 0.00 C ATOM 592 SG CYS A 38 2.809 1.969 1.808 1.00 0.00 S ATOM 0 H CYS A 38 3.842 3.109 5.578 1.00 0.00 H new ATOM 0 HA CYS A 38 1.491 2.748 4.248 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.892 3.299 3.443 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.265 1.598 3.641 1.00 0.00 H new ATOM 0 HG CYS A 38 3.361 0.894 1.329 1.00 0.00 H new ATOM 598 N PHE A 39 2.974 -0.030 4.921 1.00 0.00 N ATOM 599 CA PHE A 39 2.883 -1.381 4.691 1.00 0.00 C ATOM 600 C PHE A 39 2.687 -2.195 5.953 1.00 0.00 C ATOM 601 O PHE A 39 3.002 -1.752 7.043 1.00 0.00 O ATOM 602 CB PHE A 39 4.141 -1.679 3.987 1.00 0.00 C ATOM 603 CG PHE A 39 4.261 -1.196 2.631 1.00 0.00 C ATOM 604 CD1 PHE A 39 3.432 -1.603 1.629 1.00 0.00 C ATOM 605 CD2 PHE A 39 5.229 -0.333 2.364 1.00 0.00 C ATOM 606 CE1 PHE A 39 3.597 -1.104 0.364 1.00 0.00 C ATOM 607 CE2 PHE A 39 5.422 0.153 1.178 1.00 0.00 C ATOM 608 CZ PHE A 39 4.605 -0.208 0.130 1.00 0.00 C ATOM 0 H PHE A 39 3.844 0.275 5.358 1.00 0.00 H new ATOM 0 HA PHE A 39 2.002 -1.652 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.963 -1.262 4.570 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.275 -2.761 3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.647 -2.317 1.832 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.883 -0.022 3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.942 -1.413 -0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.232 0.848 1.010 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.756 0.207 -0.856 1.00 0.00 H new ATOM 618 N SER A 40 2.090 -3.356 5.782 1.00 0.00 N ATOM 619 CA SER A 40 1.835 -4.288 6.851 1.00 0.00 C ATOM 620 C SER A 40 2.923 -5.282 7.033 1.00 0.00 C ATOM 621 O SER A 40 3.819 -5.037 7.805 1.00 0.00 O ATOM 622 CB SER A 40 0.550 -4.993 6.620 1.00 0.00 C ATOM 623 OG SER A 40 -0.550 -4.124 6.801 1.00 0.00 O ATOM 0 H SER A 40 1.762 -3.682 4.873 1.00 0.00 H new ATOM 0 HA SER A 40 1.783 -3.700 7.767 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.532 -5.400 5.609 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.467 -5.837 7.305 1.00 0.00 H new ATOM 0 HG SER A 40 -1.313 -4.450 6.280 1.00 0.00 H new ATOM 629 N ALA A 41 2.707 -6.493 6.430 1.00 0.00 N ATOM 630 CA ALA A 41 3.584 -7.706 6.387 1.00 0.00 C ATOM 631 C ALA A 41 3.084 -8.549 7.498 1.00 0.00 C ATOM 632 O ALA A 41 3.134 -9.758 7.524 1.00 0.00 O ATOM 633 CB ALA A 41 4.946 -7.317 6.618 1.00 0.00 C ATOM 0 H ALA A 41 1.840 -6.658 5.918 1.00 0.00 H new ATOM 0 HA ALA A 41 3.558 -8.227 5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.586 -8.199 6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.259 -6.614 5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.028 -6.843 7.596 1.00 0.00 H new ATOM 639 N GLU A 42 2.568 -7.780 8.389 1.00 0.00 N ATOM 640 CA GLU A 42 1.806 -8.072 9.497 1.00 0.00 C ATOM 641 C GLU A 42 0.560 -8.649 9.090 1.00 0.00 C ATOM 642 O GLU A 42 0.007 -9.586 9.652 1.00 0.00 O ATOM 643 CB GLU A 42 1.386 -6.750 9.960 1.00 0.00 C ATOM 644 CG GLU A 42 2.404 -5.784 10.286 1.00 0.00 C ATOM 645 CD GLU A 42 1.901 -4.593 11.065 1.00 0.00 C ATOM 646 OE1 GLU A 42 2.336 -4.390 12.191 1.00 0.00 O ATOM 647 OE2 GLU A 42 1.047 -3.835 10.522 1.00 0.00 O ATOM 0 H GLU A 42 2.711 -6.772 8.320 1.00 0.00 H new ATOM 0 HA GLU A 42 2.348 -8.713 10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.750 -6.315 9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.765 -6.890 10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.186 -6.278 10.863 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.864 -5.432 9.363 1.00 0.00 H new ATOM 654 N GLY A 43 0.120 -8.018 8.116 1.00 0.00 N ATOM 655 CA GLY A 43 -1.141 -8.198 7.668 1.00 0.00 C ATOM 656 C GLY A 43 -1.191 -8.323 6.191 1.00 0.00 C ATOM 657 O GLY A 43 -0.191 -8.028 5.521 1.00 0.00 O ATOM 0 H GLY A 43 0.661 -7.331 7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.563 -9.094 8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.761 -7.359 7.982 1.00 0.00 H new ATOM 661 N GLU A 44 -2.358 -8.722 5.715 1.00 0.00 N ATOM 662 CA GLU A 44 -2.728 -8.858 4.324 1.00 0.00 C ATOM 663 C GLU A 44 -2.215 -7.659 3.518 1.00 0.00 C ATOM 664 O GLU A 44 -1.442 -7.810 2.576 1.00 0.00 O ATOM 665 CB GLU A 44 -4.254 -8.882 4.290 1.00 0.00 C ATOM 666 CG GLU A 44 -4.890 -9.500 3.083 1.00 0.00 C ATOM 667 CD GLU A 44 -6.400 -9.336 3.122 1.00 0.00 C ATOM 668 OE1 GLU A 44 -6.965 -8.701 2.182 1.00 0.00 O ATOM 669 OE2 GLU A 44 -7.011 -9.740 4.107 1.00 0.00 O ATOM 0 H GLU A 44 -3.124 -8.977 6.339 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.299 -9.761 3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.606 -9.418 5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.613 -7.856 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.493 -9.036 2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.636 -10.559 3.035 1.00 0.00 H new ATOM 676 N ALA A 45 -2.616 -6.474 3.957 1.00 0.00 N ATOM 677 CA ALA A 45 -2.242 -5.231 3.336 1.00 0.00 C ATOM 678 C ALA A 45 -2.717 -4.089 4.207 1.00 0.00 C ATOM 679 O ALA A 45 -3.000 -4.287 5.388 1.00 0.00 O ATOM 680 CB ALA A 45 -2.853 -5.142 1.954 1.00 0.00 C ATOM 0 H ALA A 45 -3.221 -6.358 4.770 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.158 -5.175 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.566 -4.199 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.495 -5.971 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.939 -5.192 2.032 1.00 0.00 H new ATOM 686 N ARG A 46 -2.778 -2.923 3.658 1.00 0.00 N ATOM 687 CA ARG A 46 -3.235 -1.741 4.331 1.00 0.00 C ATOM 688 C ARG A 46 -3.586 -0.831 3.176 1.00 0.00 C ATOM 689 O ARG A 46 -3.091 -1.118 2.069 1.00 0.00 O ATOM 690 CB ARG A 46 -2.066 -1.136 5.162 1.00 0.00 C ATOM 691 CG ARG A 46 -2.508 -0.266 6.332 1.00 0.00 C ATOM 692 CD ARG A 46 -1.348 0.434 7.043 1.00 0.00 C ATOM 693 NE ARG A 46 -0.230 -0.467 7.425 1.00 0.00 N ATOM 694 CZ ARG A 46 -0.116 -1.167 8.583 1.00 0.00 C ATOM 695 NH1 ARG A 46 -1.115 -1.205 9.460 1.00 0.00 N ATOM 696 NH2 ARG A 46 1.006 -1.814 8.856 1.00 0.00 N ATOM 0 H ARG A 46 -2.502 -2.754 2.691 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.062 -1.906 5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.449 -1.949 5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.436 -0.541 4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.210 0.486 5.971 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.045 -0.884 7.052 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.960 1.219 6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.729 0.922 7.940 1.00 0.00 H new ATOM 0 HE ARG A 46 0.528 -0.570 6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.982 -0.704 9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.014 -1.735 10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.784 -1.786 8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.093 -2.340 9.726 1.00 0.00 H new ATOM 710 N PRO A 47 -4.491 0.175 3.317 1.00 0.00 N ATOM 711 CA PRO A 47 -4.718 1.110 2.235 1.00 0.00 C ATOM 712 C PRO A 47 -3.397 1.752 1.820 1.00 0.00 C ATOM 713 O PRO A 47 -2.557 2.094 2.660 1.00 0.00 O ATOM 714 CB PRO A 47 -5.750 2.121 2.780 1.00 0.00 C ATOM 715 CG PRO A 47 -6.413 1.392 3.904 1.00 0.00 C ATOM 716 CD PRO A 47 -5.389 0.428 4.460 1.00 0.00 C ATOM 0 HA PRO A 47 -5.105 0.641 1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.268 3.035 3.127 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.469 2.410 2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.747 2.088 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.296 0.858 3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.851 0.858 5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.855 -0.491 4.814 1.00 0.00 H new ATOM 724 N LEU A 48 -3.193 1.802 0.543 1.00 0.00 N ATOM 725 CA LEU A 48 -1.978 2.234 -0.049 1.00 0.00 C ATOM 726 C LEU A 48 -2.333 2.846 -1.403 1.00 0.00 C ATOM 727 O LEU A 48 -3.441 2.716 -1.826 1.00 0.00 O ATOM 728 CB LEU A 48 -1.128 0.959 -0.229 1.00 0.00 C ATOM 729 CG LEU A 48 -0.132 0.976 -1.300 1.00 0.00 C ATOM 730 CD1 LEU A 48 1.076 1.533 -0.860 1.00 0.00 C ATOM 731 CD2 LEU A 48 0.171 -0.303 -1.822 1.00 0.00 C ATOM 0 H LEU A 48 -3.901 1.531 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.435 2.971 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.613 0.759 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.804 0.122 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.591 1.577 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.796 1.532 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.905 2.557 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.468 0.944 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.917 -0.207 -2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.564 -0.937 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.734 -0.753 -2.231 1.00 0.00 H new ATOM 743 N LYS A 49 -1.419 3.536 -2.061 1.00 0.00 N ATOM 744 CA LYS A 49 -1.677 3.972 -3.363 1.00 0.00 C ATOM 745 C LYS A 49 -0.930 3.040 -4.274 1.00 0.00 C ATOM 746 O LYS A 49 -0.369 2.097 -3.846 1.00 0.00 O ATOM 747 CB LYS A 49 -1.223 5.390 -3.620 1.00 0.00 C ATOM 748 CG LYS A 49 -2.432 6.281 -4.017 1.00 0.00 C ATOM 749 CD LYS A 49 -3.149 5.737 -5.279 1.00 0.00 C ATOM 750 CE LYS A 49 -4.431 6.503 -5.629 1.00 0.00 C ATOM 751 NZ LYS A 49 -4.176 7.912 -5.958 1.00 0.00 N ATOM 0 H LYS A 49 -0.503 3.791 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.754 3.965 -3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.744 5.793 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.478 5.402 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.138 6.328 -3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.090 7.299 -4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.464 5.784 -6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.393 4.686 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.919 6.019 -6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.123 6.450 -4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.080 8.423 -6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.586 8.341 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.681 7.971 -6.871 1.00 0.00 H new ATOM 765 N ILE A 50 -0.936 3.267 -5.477 1.00 0.00 N ATOM 766 CA ILE A 50 -0.115 2.495 -6.350 1.00 0.00 C ATOM 767 C ILE A 50 1.095 3.202 -6.892 1.00 0.00 C ATOM 768 O ILE A 50 2.190 2.609 -7.039 1.00 0.00 O ATOM 769 CB ILE A 50 -0.919 1.697 -7.327 1.00 0.00 C ATOM 770 CG1 ILE A 50 -1.081 0.333 -6.646 1.00 0.00 C ATOM 771 CG2 ILE A 50 -0.210 1.641 -8.637 1.00 0.00 C ATOM 772 CD1 ILE A 50 -1.870 -0.665 -7.367 1.00 0.00 C ATOM 0 H ILE A 50 -1.497 3.987 -5.931 1.00 0.00 H new ATOM 0 HA ILE A 50 0.367 1.746 -5.722 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.895 2.121 -7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.088 -0.080 -6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.540 0.491 -5.670 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.800 1.059 -9.345 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.076 2.652 -9.022 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.764 1.171 -8.504 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.912 -1.586 -6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.881 -0.287 -7.522 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.406 -0.867 -8.333 1.00 0.00 H new ATOM 784 N GLY A 51 0.935 4.445 -7.094 1.00 0.00 N ATOM 785 CA GLY A 51 2.025 5.280 -7.556 1.00 0.00 C ATOM 786 C GLY A 51 3.080 5.483 -6.497 1.00 0.00 C ATOM 787 O GLY A 51 4.167 5.874 -6.820 1.00 0.00 O ATOM 0 H GLY A 51 0.054 4.939 -6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.480 4.826 -8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.632 6.249 -7.864 1.00 0.00 H new ATOM 791 N ILE A 52 2.754 5.159 -5.212 1.00 0.00 N ATOM 792 CA ILE A 52 3.700 5.087 -4.146 1.00 0.00 C ATOM 793 C ILE A 52 4.928 4.351 -4.554 1.00 0.00 C ATOM 794 O ILE A 52 5.960 4.705 -4.154 1.00 0.00 O ATOM 795 CB ILE A 52 3.140 4.273 -3.004 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.265 3.904 -2.152 1.00 0.00 C ATOM 797 CG2 ILE A 52 2.460 3.012 -3.497 1.00 0.00 C ATOM 798 CD1 ILE A 52 3.943 2.906 -1.243 1.00 0.00 C ATOM 0 H ILE A 52 1.800 4.943 -4.921 1.00 0.00 H new ATOM 0 HA ILE A 52 3.919 6.118 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 52 2.394 4.861 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.093 3.568 -2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.610 4.785 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.070 2.453 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.640 3.278 -4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.181 2.397 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.817 2.671 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.134 3.249 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.625 2.013 -1.781 1.00 0.00 H new ATOM 810 N PHE A 53 4.766 3.288 -5.308 1.00 0.00 N ATOM 811 CA PHE A 53 5.793 2.415 -5.645 1.00 0.00 C ATOM 812 C PHE A 53 7.032 3.173 -6.028 1.00 0.00 C ATOM 813 O PHE A 53 8.023 2.933 -5.600 1.00 0.00 O ATOM 814 CB PHE A 53 5.322 1.651 -6.786 1.00 0.00 C ATOM 815 CG PHE A 53 6.422 1.017 -7.446 1.00 0.00 C ATOM 816 CD1 PHE A 53 6.938 1.427 -8.671 1.00 0.00 C ATOM 817 CD2 PHE A 53 6.975 0.071 -6.812 1.00 0.00 C ATOM 818 CE1 PHE A 53 8.039 0.757 -9.178 1.00 0.00 C ATOM 819 CE2 PHE A 53 7.976 -0.561 -7.273 1.00 0.00 C ATOM 820 CZ PHE A 53 8.532 -0.269 -8.451 1.00 0.00 C ATOM 0 H PHE A 53 3.864 3.024 -5.705 1.00 0.00 H new ATOM 0 HA PHE A 53 6.046 1.773 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.604 0.900 -6.458 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.801 2.308 -7.482 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.491 2.247 -9.213 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.582 -0.208 -5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.486 1.044 -10.118 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.394 -1.367 -6.688 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.367 -0.847 -8.819 1.00 0.00 H new ATOM 830 N GLN A 54 6.843 4.104 -6.769 1.00 0.00 N ATOM 831 CA GLN A 54 7.820 5.055 -7.230 1.00 0.00 C ATOM 832 C GLN A 54 8.633 5.778 -6.094 1.00 0.00 C ATOM 833 O GLN A 54 9.640 6.430 -6.305 1.00 0.00 O ATOM 834 CB GLN A 54 6.932 5.933 -7.975 1.00 0.00 C ATOM 835 CG GLN A 54 7.230 7.375 -7.995 1.00 0.00 C ATOM 836 CD GLN A 54 6.877 8.101 -6.813 1.00 0.00 C ATOM 837 OE1 GLN A 54 6.733 9.311 -6.851 1.00 0.00 O ATOM 838 NE2 GLN A 54 6.457 7.362 -5.800 1.00 0.00 N ATOM 0 H GLN A 54 5.916 4.298 -7.148 1.00 0.00 H new ATOM 0 HA GLN A 54 8.646 4.625 -7.797 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.909 5.584 -9.007 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.926 5.807 -7.574 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.298 7.504 -8.172 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.710 7.822 -8.842 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.600 6.352 -5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.990 7.802 -5.007 1.00 0.00 H new ATOM 847 N ASP A 55 8.121 5.667 -5.004 1.00 0.00 N ATOM 848 CA ASP A 55 8.543 6.433 -3.832 1.00 0.00 C ATOM 849 C ASP A 55 9.268 5.601 -3.027 1.00 0.00 C ATOM 850 O ASP A 55 10.268 5.960 -2.436 1.00 0.00 O ATOM 851 CB ASP A 55 7.385 6.916 -3.041 1.00 0.00 C ATOM 852 CG ASP A 55 7.698 8.038 -2.084 1.00 0.00 C ATOM 853 OD1 ASP A 55 8.267 7.747 -1.006 1.00 0.00 O ATOM 854 OD2 ASP A 55 7.377 9.174 -2.396 1.00 0.00 O ATOM 0 H ASP A 55 7.350 5.026 -4.815 1.00 0.00 H new ATOM 0 HA ASP A 55 9.117 7.294 -4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.607 7.249 -3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.974 6.079 -2.476 1.00 0.00 H new ATOM 859 N LEU A 56 8.722 4.455 -2.971 1.00 0.00 N ATOM 860 CA LEU A 56 9.297 3.386 -2.447 1.00 0.00 C ATOM 861 C LEU A 56 10.531 3.317 -3.071 1.00 0.00 C ATOM 862 O LEU A 56 11.452 3.487 -2.499 1.00 0.00 O ATOM 863 CB LEU A 56 8.469 2.385 -2.973 1.00 0.00 C ATOM 864 CG LEU A 56 7.972 1.259 -2.347 1.00 0.00 C ATOM 865 CD1 LEU A 56 7.540 1.573 -1.066 1.00 0.00 C ATOM 866 CD2 LEU A 56 6.786 1.083 -2.970 1.00 0.00 C ATOM 0 H LEU A 56 7.786 4.273 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 56 9.416 3.347 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.589 2.913 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.003 2.009 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 56 8.705 0.453 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.151 0.677 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.376 1.963 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.754 2.326 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.285 0.207 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.161 1.963 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.954 0.936 -4.037 1.00 0.00 H new ATOM 878 N VAL A 57 10.490 3.196 -4.299 1.00 0.00 N ATOM 879 CA VAL A 57 11.642 2.900 -5.092 1.00 0.00 C ATOM 880 C VAL A 57 12.749 3.880 -5.033 1.00 0.00 C ATOM 881 O VAL A 57 13.875 3.556 -5.494 1.00 0.00 O ATOM 882 CB VAL A 57 11.289 2.699 -6.450 1.00 0.00 C ATOM 883 CG1 VAL A 57 10.290 1.709 -6.455 1.00 0.00 C ATOM 884 CG2 VAL A 57 10.796 3.936 -7.060 1.00 0.00 C ATOM 0 H VAL A 57 9.633 3.298 -4.842 1.00 0.00 H new ATOM 0 HA VAL A 57 12.027 1.988 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 57 12.156 2.392 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.978 1.512 -7.481 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.683 0.793 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.434 2.053 -5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.534 3.749 -8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.914 4.282 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.573 4.699 -7.013 1.00 0.00 H new ATOM 894 N ASP A 58 12.424 5.082 -4.624 1.00 0.00 N ATOM 895 CA ASP A 58 13.450 6.059 -4.341 1.00 0.00 C ATOM 896 C ASP A 58 14.334 5.494 -3.233 1.00 0.00 C ATOM 897 O ASP A 58 15.555 5.424 -3.297 1.00 0.00 O ATOM 898 CB ASP A 58 12.805 7.211 -3.726 1.00 0.00 C ATOM 899 CG ASP A 58 13.570 8.512 -3.912 1.00 0.00 C ATOM 900 OD1 ASP A 58 14.112 9.036 -2.910 1.00 0.00 O ATOM 901 OD2 ASP A 58 13.657 8.991 -5.068 1.00 0.00 O ATOM 0 H ASP A 58 11.468 5.406 -4.480 1.00 0.00 H new ATOM 0 HA ASP A 58 13.998 6.303 -5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.806 7.324 -4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.682 7.021 -2.660 1.00 0.00 H new ATOM 906 N ARG A 59 13.593 4.943 -2.315 1.00 0.00 N ATOM 907 CA ARG A 59 13.931 4.498 -1.050 1.00 0.00 C ATOM 908 C ARG A 59 14.237 3.020 -0.988 1.00 0.00 C ATOM 909 O ARG A 59 15.361 2.622 -0.781 1.00 0.00 O ATOM 910 CB ARG A 59 12.717 4.814 -0.212 1.00 0.00 C ATOM 911 CG ARG A 59 12.480 6.294 0.086 1.00 0.00 C ATOM 912 CD ARG A 59 11.018 6.556 0.453 1.00 0.00 C ATOM 913 NE ARG A 59 10.837 7.020 1.847 1.00 0.00 N ATOM 914 CZ ARG A 59 9.903 7.943 2.243 1.00 0.00 C ATOM 915 NH1 ARG A 59 8.987 8.398 1.406 1.00 0.00 N ATOM 916 NH2 ARG A 59 9.878 8.377 3.496 1.00 0.00 N ATOM 0 H ARG A 59 12.601 4.788 -2.494 1.00 0.00 H new ATOM 0 HA ARG A 59 14.846 4.981 -0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.836 4.420 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.804 4.282 0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.126 6.611 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.752 6.891 -0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.608 7.303 -0.227 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.444 5.641 0.305 1.00 0.00 H new ATOM 0 HE ARG A 59 11.449 6.626 2.562 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.965 8.063 0.443 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.302 9.084 1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.556 8.024 4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.181 9.064 3.784 1.00 0.00 H new ATOM 930 N VAL A 60 13.220 2.230 -1.265 1.00 0.00 N ATOM 931 CA VAL A 60 13.191 0.838 -1.026 1.00 0.00 C ATOM 932 C VAL A 60 14.183 -0.018 -1.693 1.00 0.00 C ATOM 933 O VAL A 60 14.771 -0.874 -1.102 1.00 0.00 O ATOM 934 CB VAL A 60 11.860 0.349 -1.524 1.00 0.00 C ATOM 935 CG1 VAL A 60 10.867 0.961 -0.858 1.00 0.00 C ATOM 936 CG2 VAL A 60 11.615 0.605 -2.917 1.00 0.00 C ATOM 0 H VAL A 60 12.358 2.579 -1.684 1.00 0.00 H new ATOM 0 HA VAL A 60 13.404 0.751 0.040 1.00 0.00 H new ATOM 0 HB VAL A 60 11.887 -0.729 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.906 0.601 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.954 0.742 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.934 2.038 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.633 0.219 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.647 1.679 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.379 0.111 -3.518 1.00 0.00 H new ATOM 946 N ALA A 61 14.273 0.218 -2.924 1.00 0.00 N ATOM 947 CA ALA A 61 14.618 -0.737 -3.830 1.00 0.00 C ATOM 948 C ALA A 61 15.754 -1.627 -3.571 1.00 0.00 C ATOM 949 O ALA A 61 15.659 -2.651 -2.887 1.00 0.00 O ATOM 950 CB ALA A 61 14.555 -0.186 -5.153 1.00 0.00 C ATOM 0 H ALA A 61 14.096 1.135 -3.335 1.00 0.00 H new ATOM 0 HA ALA A 61 13.854 -1.504 -3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.831 -0.951 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.541 0.158 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.245 0.654 -5.230 1.00 0.00 H new ATOM 956 N GLY A 62 16.762 -1.254 -4.004 1.00 0.00 N ATOM 957 CA GLY A 62 17.861 -2.135 -4.035 1.00 0.00 C ATOM 958 C GLY A 62 18.739 -2.032 -2.873 1.00 0.00 C ATOM 959 O GLY A 62 19.955 -2.055 -2.963 1.00 0.00 O ATOM 0 H GLY A 62 16.934 -0.320 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 62 17.491 -3.158 -4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 62 18.443 -1.941 -4.936 1.00 0.00 H new ATOM 963 N GLU A 63 18.078 -1.872 -1.811 1.00 0.00 N ATOM 964 CA GLU A 63 18.599 -1.925 -0.515 1.00 0.00 C ATOM 965 C GLU A 63 19.066 -3.330 -0.247 1.00 0.00 C ATOM 966 O GLU A 63 20.202 -3.579 0.149 1.00 0.00 O ATOM 967 CB GLU A 63 17.502 -1.627 0.464 1.00 0.00 C ATOM 968 CG GLU A 63 17.135 -0.173 0.632 1.00 0.00 C ATOM 969 CD GLU A 63 16.422 0.101 1.943 1.00 0.00 C ATOM 970 OE1 GLU A 63 15.175 0.088 2.005 1.00 0.00 O ATOM 971 OE2 GLU A 63 17.124 0.273 2.965 1.00 0.00 O ATOM 0 H GLU A 63 17.075 -1.685 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 63 19.414 -1.209 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.610 -2.172 0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 63 17.795 -2.021 1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.039 0.434 0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.496 0.135 -0.196 1.00 0.00 H new ATOM 978 N MET A 64 18.147 -4.253 -0.440 1.00 0.00 N ATOM 979 CA MET A 64 18.433 -5.599 -0.259 1.00 0.00 C ATOM 980 C MET A 64 18.303 -6.322 -1.516 1.00 0.00 C ATOM 981 O MET A 64 19.249 -6.851 -2.077 1.00 0.00 O ATOM 982 CB MET A 64 17.592 -6.316 0.803 1.00 0.00 C ATOM 983 CG MET A 64 17.162 -5.557 2.030 1.00 0.00 C ATOM 984 SD MET A 64 15.995 -4.276 1.648 1.00 0.00 S ATOM 985 CE MET A 64 14.770 -5.176 0.699 1.00 0.00 C ATOM 0 H MET A 64 17.188 -4.057 -0.727 1.00 0.00 H new ATOM 0 HA MET A 64 19.460 -5.606 0.107 1.00 0.00 H new ATOM 0 HB2 MET A 64 16.692 -6.687 0.314 1.00 0.00 H new ATOM 0 HB3 MET A 64 18.156 -7.187 1.136 1.00 0.00 H new ATOM 0 HG2 MET A 64 16.719 -6.248 2.747 1.00 0.00 H new ATOM 0 HG3 MET A 64 18.037 -5.118 2.510 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.095 -4.471 0.215 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.269 -5.780 -0.059 1.00 0.00 H new ATOM 0 HE3 MET A 64 14.201 -5.826 1.363 1.00 0.00 H new ATOM 995 N ASN A 65 17.109 -6.381 -1.925 1.00 0.00 N ATOM 996 CA ASN A 65 16.710 -7.169 -2.940 1.00 0.00 C ATOM 997 C ASN A 65 15.612 -6.600 -3.835 1.00 0.00 C ATOM 998 O ASN A 65 14.585 -7.234 -3.947 1.00 0.00 O ATOM 999 CB ASN A 65 16.108 -8.384 -2.364 1.00 0.00 C ATOM 1000 CG ASN A 65 16.532 -8.855 -1.077 1.00 0.00 C ATOM 1001 OD1 ASN A 65 15.885 -8.633 -0.071 1.00 0.00 O ATOM 1002 ND2 ASN A 65 17.578 -9.451 -1.043 1.00 0.00 N ATOM 0 H ASN A 65 16.353 -5.833 -1.514 1.00 0.00 H new ATOM 0 HA ASN A 65 17.607 -7.313 -3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 65 15.032 -8.218 -2.310 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.270 -9.194 -3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.945 -9.786 -0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.096 -9.621 -1.905 1.00 0.00 H new ATOM 1009 N LEU A 66 15.773 -5.467 -4.427 1.00 0.00 N ATOM 1010 CA LEU A 66 14.768 -4.944 -5.367 1.00 0.00 C ATOM 1011 C LEU A 66 15.387 -4.212 -6.538 1.00 0.00 C ATOM 1012 O LEU A 66 16.309 -3.428 -6.410 1.00 0.00 O ATOM 1013 CB LEU A 66 13.934 -3.976 -4.632 1.00 0.00 C ATOM 1014 CG LEU A 66 12.993 -4.329 -3.557 1.00 0.00 C ATOM 1015 CD1 LEU A 66 12.271 -3.120 -3.131 1.00 0.00 C ATOM 1016 CD2 LEU A 66 12.123 -5.413 -3.980 1.00 0.00 C ATOM 0 H LEU A 66 16.584 -4.863 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 66 14.202 -5.789 -5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.624 -3.250 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.347 -3.451 -5.386 1.00 0.00 H new ATOM 0 HG LEU A 66 13.529 -4.705 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.572 -3.375 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.984 -2.381 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.722 -2.707 -3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.433 -5.662 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.557 -5.104 -4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.725 -6.288 -4.226 1.00 0.00 H new ATOM 1028 N SER A 67 14.790 -4.452 -7.639 1.00 0.00 N ATOM 1029 CA SER A 67 15.093 -3.871 -8.912 1.00 0.00 C ATOM 1030 C SER A 67 13.842 -3.025 -9.373 1.00 0.00 C ATOM 1031 O SER A 67 13.573 -2.826 -10.543 1.00 0.00 O ATOM 1032 CB SER A 67 15.352 -5.079 -9.812 1.00 0.00 C ATOM 1033 OG SER A 67 15.585 -4.746 -11.161 1.00 0.00 O ATOM 0 H SER A 67 14.013 -5.111 -7.692 1.00 0.00 H new ATOM 0 HA SER A 67 15.948 -3.195 -8.921 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.213 -5.627 -9.429 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.496 -5.751 -9.757 1.00 0.00 H new ATOM 0 HG SER A 67 14.991 -4.012 -11.424 1.00 0.00 H new ATOM 1039 N LYS A 68 13.124 -2.499 -8.372 1.00 0.00 N ATOM 1040 CA LYS A 68 11.825 -1.751 -8.488 1.00 0.00 C ATOM 1041 C LYS A 68 10.721 -2.632 -8.994 1.00 0.00 C ATOM 1042 O LYS A 68 9.752 -2.777 -8.366 1.00 0.00 O ATOM 1043 CB LYS A 68 11.767 -0.431 -9.335 1.00 0.00 C ATOM 1044 CG LYS A 68 12.948 0.482 -9.411 1.00 0.00 C ATOM 1045 CD LYS A 68 13.571 0.536 -8.114 1.00 0.00 C ATOM 1046 CE LYS A 68 14.959 1.176 -8.136 1.00 0.00 C ATOM 1047 NZ LYS A 68 14.884 2.679 -8.190 1.00 0.00 N ATOM 0 H LYS A 68 13.432 -2.577 -7.403 1.00 0.00 H new ATOM 0 HA LYS A 68 11.707 -1.435 -7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.517 -0.717 -10.357 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.932 0.157 -8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.657 0.122 -10.157 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.636 1.479 -9.723 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.930 1.098 -7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.651 -0.475 -7.715 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.513 0.872 -7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.514 0.809 -8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.831 3.067 -8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.238 2.967 -8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.531 3.042 -7.281 1.00 0.00 H new ATOM 1061 N THR A 69 10.889 -3.281 -10.076 1.00 0.00 N ATOM 1062 CA THR A 69 9.804 -3.912 -10.705 1.00 0.00 C ATOM 1063 C THR A 69 9.374 -5.158 -9.980 1.00 0.00 C ATOM 1064 O THR A 69 8.209 -5.552 -9.992 1.00 0.00 O ATOM 1065 CB THR A 69 10.172 -4.237 -12.080 1.00 0.00 C ATOM 1066 OG1 THR A 69 11.251 -5.188 -12.059 1.00 0.00 O ATOM 1067 CG2 THR A 69 10.618 -3.011 -12.802 1.00 0.00 C ATOM 0 H THR A 69 11.785 -3.390 -10.552 1.00 0.00 H new ATOM 0 HA THR A 69 8.959 -3.224 -10.692 1.00 0.00 H new ATOM 0 HB THR A 69 9.306 -4.654 -12.593 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.505 -5.415 -12.978 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.889 -3.270 -13.826 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.808 -2.281 -12.814 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.483 -2.584 -12.295 1.00 0.00 H new ATOM 1075 N GLN A 70 10.302 -5.711 -9.303 1.00 0.00 N ATOM 1076 CA GLN A 70 10.061 -6.857 -8.469 1.00 0.00 C ATOM 1077 C GLN A 70 9.429 -6.418 -7.139 1.00 0.00 C ATOM 1078 O GLN A 70 9.174 -7.224 -6.250 1.00 0.00 O ATOM 1079 CB GLN A 70 11.326 -7.581 -8.215 1.00 0.00 C ATOM 1080 CG GLN A 70 12.313 -6.748 -7.654 1.00 0.00 C ATOM 1081 CD GLN A 70 13.331 -7.517 -7.059 1.00 0.00 C ATOM 1082 OE1 GLN A 70 14.347 -7.818 -7.632 1.00 0.00 O ATOM 1083 NE2 GLN A 70 13.016 -7.908 -5.914 1.00 0.00 N ATOM 0 H GLN A 70 11.270 -5.389 -9.301 1.00 0.00 H new ATOM 0 HA GLN A 70 9.372 -7.526 -8.984 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.135 -8.418 -7.543 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.696 -8.001 -9.150 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.738 -6.108 -8.427 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.863 -6.092 -6.909 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.135 -7.607 -5.497 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.640 -8.528 -5.397 1.00 0.00 H new ATOM 1092 N LEU A 71 9.269 -5.137 -7.020 1.00 0.00 N ATOM 1093 CA LEU A 71 8.623 -4.474 -5.935 1.00 0.00 C ATOM 1094 C LEU A 71 7.294 -3.952 -6.441 1.00 0.00 C ATOM 1095 O LEU A 71 6.320 -4.009 -5.749 1.00 0.00 O ATOM 1096 CB LEU A 71 9.529 -3.304 -5.549 1.00 0.00 C ATOM 1097 CG LEU A 71 9.343 -2.536 -4.305 1.00 0.00 C ATOM 1098 CD1 LEU A 71 9.572 -1.089 -4.504 1.00 0.00 C ATOM 1099 CD2 LEU A 71 8.109 -2.778 -3.685 1.00 0.00 C ATOM 0 H LEU A 71 9.610 -4.485 -7.727 1.00 0.00 H new ATOM 0 HA LEU A 71 8.452 -5.128 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.547 -3.692 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.479 -2.587 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 71 10.108 -2.900 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.424 -0.564 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.592 -0.927 -4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.870 -0.708 -5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.036 -2.182 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.301 -2.505 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.029 -3.836 -3.433 1.00 0.00 H new ATOM 1111 N ARG A 72 7.244 -3.466 -7.660 1.00 0.00 N ATOM 1112 CA ARG A 72 5.995 -2.901 -8.155 1.00 0.00 C ATOM 1113 C ARG A 72 4.953 -3.973 -8.228 1.00 0.00 C ATOM 1114 O ARG A 72 3.795 -3.724 -8.202 1.00 0.00 O ATOM 1115 CB ARG A 72 6.188 -2.173 -9.521 1.00 0.00 C ATOM 1116 CG ARG A 72 6.659 -3.047 -10.613 1.00 0.00 C ATOM 1117 CD ARG A 72 5.561 -3.846 -11.259 1.00 0.00 C ATOM 1118 NE ARG A 72 4.770 -3.049 -12.225 1.00 0.00 N ATOM 1119 CZ ARG A 72 3.897 -3.564 -13.126 1.00 0.00 C ATOM 1120 NH1 ARG A 72 3.641 -4.880 -13.146 1.00 0.00 N ATOM 1121 NH2 ARG A 72 3.296 -2.757 -14.010 1.00 0.00 N ATOM 0 H ARG A 72 8.025 -3.446 -8.316 1.00 0.00 H new ATOM 0 HA ARG A 72 5.654 -2.138 -7.455 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.241 -1.721 -9.816 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.902 -1.360 -9.389 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.147 -2.436 -11.372 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.412 -3.730 -10.221 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.995 -4.705 -11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.898 -4.237 -10.487 1.00 0.00 H new ATOM 0 HE ARG A 72 4.891 -2.036 -12.212 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.104 -5.500 -12.481 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.983 -5.261 -13.826 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.495 -1.757 -14.005 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.639 -3.143 -14.688 1.00 0.00 H new ATOM 1135 N SER A 73 5.415 -5.159 -8.305 1.00 0.00 N ATOM 1136 CA SER A 73 4.662 -6.284 -8.418 1.00 0.00 C ATOM 1137 C SER A 73 4.069 -6.649 -7.122 1.00 0.00 C ATOM 1138 O SER A 73 2.971 -7.149 -7.044 1.00 0.00 O ATOM 1139 CB SER A 73 5.620 -7.239 -8.862 1.00 0.00 C ATOM 1140 OG SER A 73 6.690 -7.339 -7.950 1.00 0.00 O ATOM 0 H SER A 73 6.416 -5.354 -8.287 1.00 0.00 H new ATOM 0 HA SER A 73 3.810 -6.190 -9.092 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.143 -8.212 -8.977 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.999 -6.951 -9.843 1.00 0.00 H new ATOM 0 HG SER A 73 7.335 -8.002 -8.274 1.00 0.00 H new ATOM 1146 N ALA A 74 4.766 -6.273 -6.133 1.00 0.00 N ATOM 1147 CA ALA A 74 4.375 -6.473 -4.744 1.00 0.00 C ATOM 1148 C ALA A 74 3.257 -5.552 -4.464 1.00 0.00 C ATOM 1149 O ALA A 74 2.327 -5.822 -3.708 1.00 0.00 O ATOM 1150 CB ALA A 74 5.563 -6.172 -3.846 1.00 0.00 C ATOM 0 H ALA A 74 5.662 -5.797 -6.237 1.00 0.00 H new ATOM 0 HA ALA A 74 4.062 -7.501 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.278 -6.319 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.386 -6.841 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.878 -5.139 -3.993 1.00 0.00 H new ATOM 1156 N LEU A 75 3.274 -4.588 -5.231 1.00 0.00 N ATOM 1157 CA LEU A 75 2.526 -3.467 -5.085 1.00 0.00 C ATOM 1158 C LEU A 75 1.352 -3.437 -6.048 1.00 0.00 C ATOM 1159 O LEU A 75 0.704 -2.421 -6.219 1.00 0.00 O ATOM 1160 CB LEU A 75 3.560 -2.475 -5.264 1.00 0.00 C ATOM 1161 CG LEU A 75 3.914 -1.606 -4.132 1.00 0.00 C ATOM 1162 CD1 LEU A 75 5.251 -1.229 -4.340 1.00 0.00 C ATOM 1163 CD2 LEU A 75 3.149 -0.337 -4.084 1.00 0.00 C ATOM 0 H LEU A 75 3.870 -4.561 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 75 1.989 -3.336 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.466 -2.995 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.260 -1.832 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 75 3.712 -2.159 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.576 -0.578 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.880 -2.119 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.336 -0.697 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.468 0.248 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.331 0.232 -4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.085 -0.557 -4.000 1.00 0.00 H new ATOM 1175 N ARG A 76 1.173 -4.551 -6.748 1.00 0.00 N ATOM 1176 CA ARG A 76 -0.066 -4.919 -7.425 1.00 0.00 C ATOM 1177 C ARG A 76 -0.604 -6.155 -6.720 1.00 0.00 C ATOM 1178 O ARG A 76 -1.779 -6.456 -6.755 1.00 0.00 O ATOM 1179 CB ARG A 76 0.082 -5.267 -8.918 1.00 0.00 C ATOM 1180 CG ARG A 76 0.133 -4.096 -9.894 1.00 0.00 C ATOM 1181 CD ARG A 76 1.366 -3.301 -9.691 1.00 0.00 C ATOM 1182 NE ARG A 76 1.242 -2.154 -8.797 1.00 0.00 N ATOM 1183 CZ ARG A 76 2.012 -1.060 -8.822 1.00 0.00 C ATOM 1184 NH1 ARG A 76 2.624 -0.685 -9.946 1.00 0.00 N ATOM 1185 NH2 ARG A 76 2.105 -0.305 -7.728 1.00 0.00 N ATOM 0 H ARG A 76 1.910 -5.246 -6.864 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.721 -4.049 -7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.993 -5.853 -9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.751 -5.910 -9.201 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.098 -4.467 -10.918 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.742 -3.461 -9.755 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.141 -3.961 -9.300 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.710 -2.945 -10.662 1.00 0.00 H new ATOM 0 HE ARG A 76 0.505 -2.189 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.507 -1.234 -10.798 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.209 0.151 -9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.593 -0.564 -6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.689 0.532 -7.734 1.00 0.00 H new ATOM 1199 N LEU A 77 0.309 -6.835 -6.050 1.00 0.00 N ATOM 1200 CA LEU A 77 0.071 -8.089 -5.372 1.00 0.00 C ATOM 1201 C LEU A 77 -0.783 -7.895 -4.189 1.00 0.00 C ATOM 1202 O LEU A 77 -1.938 -8.287 -4.156 1.00 0.00 O ATOM 1203 CB LEU A 77 1.394 -8.625 -4.874 1.00 0.00 C ATOM 1204 CG LEU A 77 1.423 -9.925 -4.209 1.00 0.00 C ATOM 1205 CD1 LEU A 77 2.550 -10.674 -4.753 1.00 0.00 C ATOM 1206 CD2 LEU A 77 1.768 -9.662 -2.822 1.00 0.00 C ATOM 0 H LEU A 77 1.273 -6.513 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.414 -8.769 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.071 -8.676 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.807 -7.891 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 77 0.479 -10.456 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.600 -11.653 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.418 -10.800 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.475 -10.129 -4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.805 -10.602 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.742 -9.176 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.016 -9.011 -2.377 1.00 0.00 H new ATOM 1218 N TYR A 78 -0.214 -7.216 -3.222 1.00 0.00 N ATOM 1219 CA TYR A 78 -0.854 -7.078 -1.973 1.00 0.00 C ATOM 1220 C TYR A 78 -1.909 -5.998 -2.105 1.00 0.00 C ATOM 1221 O TYR A 78 -2.717 -5.777 -1.247 1.00 0.00 O ATOM 1222 CB TYR A 78 0.173 -6.838 -0.828 1.00 0.00 C ATOM 1223 CG TYR A 78 0.333 -5.465 -0.377 1.00 0.00 C ATOM 1224 CD1 TYR A 78 0.218 -5.174 0.934 1.00 0.00 C ATOM 1225 CD2 TYR A 78 0.550 -4.468 -1.258 1.00 0.00 C ATOM 1226 CE1 TYR A 78 0.289 -3.909 1.370 1.00 0.00 C ATOM 1227 CE2 TYR A 78 0.634 -3.214 -0.857 1.00 0.00 C ATOM 1228 CZ TYR A 78 0.486 -2.921 0.487 1.00 0.00 C ATOM 1229 OH TYR A 78 0.520 -1.641 0.936 1.00 0.00 O ATOM 0 H TYR A 78 0.694 -6.756 -3.294 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.356 -8.003 -1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.122 -7.446 0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.145 -7.204 -1.159 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.066 -5.973 1.644 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.657 -4.699 -2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.188 -3.688 2.422 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.816 -2.424 -1.571 1.00 0.00 H new ATOM 0 HH TYR A 78 1.442 -1.311 0.914 1.00 0.00 H new ATOM 1239 N THR A 79 -1.866 -5.314 -3.233 1.00 0.00 N ATOM 1240 CA THR A 79 -2.852 -4.273 -3.506 1.00 0.00 C ATOM 1241 C THR A 79 -4.111 -4.868 -4.092 1.00 0.00 C ATOM 1242 O THR A 79 -5.103 -4.198 -4.283 1.00 0.00 O ATOM 1243 CB THR A 79 -2.295 -3.200 -4.401 1.00 0.00 C ATOM 1244 OG1 THR A 79 -2.039 -3.703 -5.690 1.00 0.00 O ATOM 1245 CG2 THR A 79 -1.030 -2.756 -3.793 1.00 0.00 C ATOM 0 H THR A 79 -1.172 -5.453 -3.968 1.00 0.00 H new ATOM 0 HA THR A 79 -3.106 -3.803 -2.556 1.00 0.00 H new ATOM 0 HB THR A 79 -3.009 -2.382 -4.499 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.786 -3.479 -6.283 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.585 -1.974 -4.409 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.224 -2.365 -2.794 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.343 -3.599 -3.726 1.00 0.00 H new ATOM 1253 N SER A 80 -4.030 -6.131 -4.406 1.00 0.00 N ATOM 1254 CA SER A 80 -5.179 -6.891 -4.798 1.00 0.00 C ATOM 1255 C SER A 80 -5.802 -7.515 -3.545 1.00 0.00 C ATOM 1256 O SER A 80 -6.751 -8.295 -3.624 1.00 0.00 O ATOM 1257 CB SER A 80 -4.803 -7.961 -5.827 1.00 0.00 C ATOM 1258 OG SER A 80 -4.271 -7.365 -7.005 1.00 0.00 O ATOM 0 H SER A 80 -3.160 -6.663 -4.396 1.00 0.00 H new ATOM 0 HA SER A 80 -5.908 -6.236 -5.275 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.070 -8.644 -5.397 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.682 -8.554 -6.079 1.00 0.00 H new ATOM 0 HG SER A 80 -3.299 -7.275 -6.916 1.00 0.00 H new ATOM 1264 N SER A 81 -5.241 -7.170 -2.373 1.00 0.00 N ATOM 1265 CA SER A 81 -5.814 -7.578 -1.135 1.00 0.00 C ATOM 1266 C SER A 81 -6.988 -6.707 -0.856 1.00 0.00 C ATOM 1267 O SER A 81 -7.079 -5.610 -1.368 1.00 0.00 O ATOM 1268 CB SER A 81 -4.780 -7.461 -0.026 1.00 0.00 C ATOM 1269 OG SER A 81 -5.314 -7.034 1.211 1.00 0.00 O ATOM 0 H SER A 81 -4.393 -6.610 -2.286 1.00 0.00 H new ATOM 0 HA SER A 81 -6.136 -8.618 -1.187 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.298 -8.429 0.112 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.005 -6.761 -0.337 1.00 0.00 H new ATOM 0 HG SER A 81 -5.991 -7.674 1.513 1.00 0.00 H new ATOM 1275 N TRP A 82 -7.832 -7.171 -0.019 1.00 0.00 N ATOM 1276 CA TRP A 82 -9.032 -6.441 0.339 1.00 0.00 C ATOM 1277 C TRP A 82 -8.661 -5.494 1.321 1.00 0.00 C ATOM 1278 O TRP A 82 -8.977 -4.350 1.192 1.00 0.00 O ATOM 1279 CB TRP A 82 -10.143 -7.313 0.907 1.00 0.00 C ATOM 1280 CG TRP A 82 -11.437 -6.885 0.503 1.00 0.00 C ATOM 1281 CD1 TRP A 82 -11.712 -6.264 -0.614 1.00 0.00 C ATOM 1282 CD2 TRP A 82 -12.647 -7.099 1.148 1.00 0.00 C ATOM 1283 NE1 TRP A 82 -13.003 -5.983 -0.694 1.00 0.00 N ATOM 1284 CE2 TRP A 82 -13.616 -6.495 0.363 1.00 0.00 C ATOM 1285 CE3 TRP A 82 -13.016 -7.711 2.314 1.00 0.00 C ATOM 1286 CZ2 TRP A 82 -14.912 -6.470 0.691 1.00 0.00 C ATOM 1287 CZ3 TRP A 82 -14.329 -7.701 2.638 1.00 0.00 C ATOM 1288 CH2 TRP A 82 -15.270 -7.066 1.813 1.00 0.00 C ATOM 0 H TRP A 82 -7.730 -8.070 0.452 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.431 -5.991 -0.570 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -9.990 -8.344 0.588 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -10.085 -7.305 1.995 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.983 -6.014 -1.371 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -13.452 -5.459 -1.445 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -12.286 -8.185 2.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -15.639 -5.980 0.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -14.658 -8.188 3.544 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -16.310 -7.065 2.103 1.00 0.00 H new ATOM 1299 N ARG A 83 -7.955 -5.971 2.291 1.00 0.00 N ATOM 1300 CA ARG A 83 -7.477 -5.171 3.401 1.00 0.00 C ATOM 1301 C ARG A 83 -6.661 -3.970 2.972 1.00 0.00 C ATOM 1302 O ARG A 83 -6.485 -2.994 3.713 1.00 0.00 O ATOM 1303 CB ARG A 83 -6.892 -6.034 4.485 1.00 0.00 C ATOM 1304 CG ARG A 83 -5.844 -5.389 5.324 1.00 0.00 C ATOM 1305 CD ARG A 83 -5.519 -6.174 6.586 1.00 0.00 C ATOM 1306 NE ARG A 83 -4.308 -5.632 7.233 1.00 0.00 N ATOM 1307 CZ ARG A 83 -3.815 -5.964 8.429 1.00 0.00 C ATOM 1308 NH1 ARG A 83 -4.475 -6.819 9.221 1.00 0.00 N ATOM 1309 NH2 ARG A 83 -2.642 -5.437 8.826 1.00 0.00 N ATOM 0 H ARG A 83 -7.680 -6.952 2.348 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.336 -4.694 3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.700 -6.366 5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.466 -6.926 4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.936 -5.272 4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.175 -4.388 5.602 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.360 -6.127 7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.368 -7.225 6.339 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.791 -4.926 6.709 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.360 -7.221 8.912 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.093 -7.068 10.133 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.140 -4.792 8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.255 -5.683 9.737 1.00 0.00 H new ATOM 1323 N TYR A 84 -6.225 -4.055 1.780 1.00 0.00 N ATOM 1324 CA TYR A 84 -5.695 -2.962 1.073 1.00 0.00 C ATOM 1325 C TYR A 84 -6.821 -1.913 0.887 1.00 0.00 C ATOM 1326 O TYR A 84 -6.851 -0.901 1.549 1.00 0.00 O ATOM 1327 CB TYR A 84 -5.186 -3.469 -0.264 1.00 0.00 C ATOM 1328 CG TYR A 84 -4.837 -2.404 -1.257 1.00 0.00 C ATOM 1329 CD1 TYR A 84 -3.595 -1.732 -1.297 1.00 0.00 C ATOM 1330 CD2 TYR A 84 -5.789 -2.066 -2.180 1.00 0.00 C ATOM 1331 CE1 TYR A 84 -3.380 -0.779 -2.245 1.00 0.00 C ATOM 1332 CE2 TYR A 84 -5.563 -1.109 -3.129 1.00 0.00 C ATOM 1333 CZ TYR A 84 -4.352 -0.467 -3.161 1.00 0.00 C ATOM 1334 OH TYR A 84 -4.102 0.489 -4.121 1.00 0.00 O ATOM 0 H TYR A 84 -6.227 -4.924 1.247 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.869 -2.494 1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.303 -4.084 -0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.945 -4.117 -0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.823 -1.972 -0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.744 -2.569 -2.158 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.432 -0.262 -2.276 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.331 -0.861 -3.847 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.602 1.231 -3.721 1.00 0.00 H new ATOM 1344 N LEU A 85 -7.812 -2.254 0.085 1.00 0.00 N ATOM 1345 CA LEU A 85 -8.894 -1.332 -0.283 1.00 0.00 C ATOM 1346 C LEU A 85 -9.960 -1.082 0.710 1.00 0.00 C ATOM 1347 O LEU A 85 -11.035 -0.607 0.367 1.00 0.00 O ATOM 1348 CB LEU A 85 -9.523 -1.507 -1.626 1.00 0.00 C ATOM 1349 CG LEU A 85 -10.198 -2.790 -2.086 1.00 0.00 C ATOM 1350 CD1 LEU A 85 -9.226 -3.855 -2.237 1.00 0.00 C ATOM 1351 CD2 LEU A 85 -11.265 -3.204 -1.125 1.00 0.00 C ATOM 0 H LEU A 85 -7.898 -3.179 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.267 -0.441 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.271 -0.719 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.744 -1.293 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.659 -2.596 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.730 -4.764 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.480 -3.565 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.736 -4.039 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.733 -4.124 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.824 -3.373 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.017 -2.418 -1.055 1.00 0.00 H new ATOM 1363 N TYR A 86 -9.660 -1.275 1.891 1.00 0.00 N ATOM 1364 CA TYR A 86 -10.526 -0.984 2.966 1.00 0.00 C ATOM 1365 C TYR A 86 -10.716 0.538 3.042 1.00 0.00 C ATOM 1366 O TYR A 86 -11.599 1.067 3.710 1.00 0.00 O ATOM 1367 CB TYR A 86 -9.870 -1.485 4.159 1.00 0.00 C ATOM 1368 CG TYR A 86 -10.122 -2.910 4.496 1.00 0.00 C ATOM 1369 CD1 TYR A 86 -10.378 -3.778 3.509 1.00 0.00 C ATOM 1370 CD2 TYR A 86 -10.170 -3.375 5.804 1.00 0.00 C ATOM 1371 CE1 TYR A 86 -10.683 -5.056 3.738 1.00 0.00 C ATOM 1372 CE2 TYR A 86 -10.463 -4.693 6.069 1.00 0.00 C ATOM 1373 CZ TYR A 86 -10.730 -5.539 5.020 1.00 0.00 C ATOM 1374 OH TYR A 86 -11.049 -6.852 5.257 1.00 0.00 O ATOM 0 H TYR A 86 -8.762 -1.660 2.182 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.508 -1.442 2.851 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.795 -1.345 4.044 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.182 -0.872 5.005 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -10.336 -3.430 2.488 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.976 -2.696 6.621 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -10.894 -5.714 2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.483 -5.057 7.086 1.00 0.00 H new ATOM 0 HH TYR A 86 -11.629 -7.182 4.540 1.00 0.00 H new ATOM 1384 N GLY A 87 -9.840 1.189 2.319 1.00 0.00 N ATOM 1385 CA GLY A 87 -9.844 2.567 2.110 1.00 0.00 C ATOM 1386 C GLY A 87 -8.817 2.942 1.183 1.00 0.00 C ATOM 1387 O GLY A 87 -7.894 3.492 1.566 1.00 0.00 O ATOM 0 H GLY A 87 -9.070 0.719 1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.816 2.879 1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.692 3.084 3.057 1.00 0.00 H new ATOM 1391 N VAL A 88 -9.004 2.632 -0.086 1.00 0.00 N ATOM 1392 CA VAL A 88 -8.104 3.012 -1.138 1.00 0.00 C ATOM 1393 C VAL A 88 -8.927 3.330 -2.388 1.00 0.00 C ATOM 1394 O VAL A 88 -9.669 2.474 -2.841 1.00 0.00 O ATOM 1395 CB VAL A 88 -7.210 1.897 -1.624 1.00 0.00 C ATOM 1396 CG1 VAL A 88 -6.207 2.477 -2.625 1.00 0.00 C ATOM 1397 CG2 VAL A 88 -6.516 1.264 -0.515 1.00 0.00 C ATOM 0 H VAL A 88 -9.808 2.096 -0.413 1.00 0.00 H new ATOM 0 HA VAL A 88 -7.516 3.829 -0.721 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.817 1.132 -2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.553 1.683 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.744 2.915 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.609 3.246 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.879 0.464 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.903 2.003 0.000 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.245 0.849 0.181 1.00 0.00 H new ATOM 1407 N LYS A 89 -8.814 4.530 -2.877 1.00 0.00 N ATOM 1408 CA LYS A 89 -9.295 4.997 -4.189 1.00 0.00 C ATOM 1409 C LYS A 89 -8.581 6.307 -4.481 1.00 0.00 C ATOM 1410 O LYS A 89 -7.764 6.358 -5.389 1.00 0.00 O ATOM 1411 CB LYS A 89 -10.859 5.042 -4.393 1.00 0.00 C ATOM 1412 CG LYS A 89 -11.500 3.707 -4.716 1.00 0.00 C ATOM 1413 CD LYS A 89 -11.043 3.150 -6.058 1.00 0.00 C ATOM 1414 CE LYS A 89 -11.361 1.663 -6.176 1.00 0.00 C ATOM 1415 NZ LYS A 89 -12.772 1.359 -5.834 1.00 0.00 N ATOM 0 H LYS A 89 -8.356 5.275 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.039 4.245 -4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.317 5.439 -3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.086 5.741 -5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.260 2.992 -3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.584 3.820 -4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.532 3.694 -6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.970 3.305 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.156 1.330 -7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.700 1.099 -5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.105 0.561 -6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.839 1.109 -4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.363 2.194 -6.024 1.00 0.00 H new ATOM 1429 N PRO A 90 -8.842 7.397 -3.711 1.00 0.00 N ATOM 1430 CA PRO A 90 -7.991 8.532 -3.737 1.00 0.00 C ATOM 1431 C PRO A 90 -6.934 8.406 -2.635 1.00 0.00 C ATOM 1432 O PRO A 90 -6.281 7.356 -2.527 1.00 0.00 O ATOM 1433 CB PRO A 90 -8.941 9.710 -3.568 1.00 0.00 C ATOM 1434 CG PRO A 90 -10.244 9.130 -3.093 1.00 0.00 C ATOM 1435 CD PRO A 90 -10.007 7.664 -2.869 1.00 0.00 C ATOM 0 HA PRO A 90 -7.414 8.649 -4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.548 10.427 -2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.072 10.243 -4.510 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.571 9.614 -2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.030 9.287 -3.832 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.809 7.441 -1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.868 7.064 -3.166 1.00 0.00 H new ATOM 1443 N GLY A 91 -6.833 9.396 -1.731 1.00 0.00 N ATOM 1444 CA GLY A 91 -5.800 9.465 -0.740 1.00 0.00 C ATOM 1445 C GLY A 91 -6.057 8.607 0.452 1.00 0.00 C ATOM 1446 O GLY A 91 -5.616 8.775 1.555 1.00 0.00 O ATOM 0 H GLY A 91 -7.490 10.175 -1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.854 9.169 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.688 10.499 -0.415 1.00 0.00 H new ATOM 1450 N ALA A 92 -6.777 7.714 0.139 1.00 0.00 N ATOM 1451 CA ALA A 92 -7.251 6.638 0.939 1.00 0.00 C ATOM 1452 C ALA A 92 -6.132 5.805 1.395 1.00 0.00 C ATOM 1453 O ALA A 92 -6.158 5.263 2.478 1.00 0.00 O ATOM 1454 CB ALA A 92 -8.189 5.918 0.096 1.00 0.00 C ATOM 0 H ALA A 92 -7.138 7.652 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.744 6.974 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.597 5.071 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.000 6.585 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.675 5.557 -0.795 1.00 0.00 H new ATOM 1460 N THR A 93 -5.180 5.762 0.557 1.00 0.00 N ATOM 1461 CA THR A 93 -3.875 5.221 0.792 1.00 0.00 C ATOM 1462 C THR A 93 -3.371 5.594 2.179 1.00 0.00 C ATOM 1463 O THR A 93 -2.868 4.785 2.921 1.00 0.00 O ATOM 1464 CB THR A 93 -2.913 5.873 -0.221 1.00 0.00 C ATOM 1465 OG1 THR A 93 -1.577 5.800 0.171 1.00 0.00 O ATOM 1466 CG2 THR A 93 -3.307 7.259 -0.508 1.00 0.00 C ATOM 0 H THR A 93 -5.283 6.128 -0.390 1.00 0.00 H new ATOM 0 HA THR A 93 -3.921 4.136 0.699 1.00 0.00 H new ATOM 0 HB THR A 93 -2.995 5.294 -1.141 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.093 6.582 -0.169 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.611 7.694 -1.225 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.314 7.272 -0.926 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.289 7.841 0.414 1.00 0.00 H new ATOM 1474 N ARG A 94 -3.559 6.857 2.497 1.00 0.00 N ATOM 1475 CA ARG A 94 -3.031 7.476 3.642 1.00 0.00 C ATOM 1476 C ARG A 94 -1.523 7.469 3.670 1.00 0.00 C ATOM 1477 O ARG A 94 -0.961 7.769 4.705 1.00 0.00 O ATOM 1478 CB ARG A 94 -3.522 6.888 4.932 1.00 0.00 C ATOM 1479 CG ARG A 94 -4.805 7.464 5.525 1.00 0.00 C ATOM 1480 CD ARG A 94 -6.071 6.923 4.881 1.00 0.00 C ATOM 1481 NE ARG A 94 -7.264 7.450 5.550 1.00 0.00 N ATOM 1482 CZ ARG A 94 -8.510 7.200 5.197 1.00 0.00 C ATOM 1483 NH1 ARG A 94 -8.773 6.344 4.191 1.00 0.00 N ATOM 1484 NH2 ARG A 94 -9.491 7.773 5.876 1.00 0.00 N ATOM 0 H ARG A 94 -4.114 7.490 1.921 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.394 8.501 3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.672 5.819 4.779 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.731 6.996 5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.830 7.248 6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.789 8.549 5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.091 7.194 3.825 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.072 5.834 4.931 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.119 8.060 6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.007 5.885 3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.738 6.154 3.922 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.276 8.394 6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.462 7.593 5.619 1.00 0.00 H new ATOM 1498 N VAL A 95 -0.840 7.052 2.567 1.00 0.00 N ATOM 1499 CA VAL A 95 0.589 7.014 2.529 1.00 0.00 C ATOM 1500 C VAL A 95 1.234 7.256 1.109 1.00 0.00 C ATOM 1501 O VAL A 95 0.676 7.031 0.027 1.00 0.00 O ATOM 1502 CB VAL A 95 1.215 5.754 3.150 1.00 0.00 C ATOM 1503 CG1 VAL A 95 0.250 5.035 3.977 1.00 0.00 C ATOM 1504 CG2 VAL A 95 1.738 4.897 2.108 1.00 0.00 C ATOM 0 H VAL A 95 -1.290 6.743 1.705 1.00 0.00 H new ATOM 0 HA VAL A 95 0.835 7.870 3.157 1.00 0.00 H new ATOM 0 HB VAL A 95 2.036 6.062 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.723 4.150 4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.094 5.684 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.600 4.734 3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.180 4.007 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.929 4.603 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.500 5.434 1.543 1.00 0.00 H new ATOM 1514 N ASP A 96 2.338 7.786 1.256 1.00 0.00 N ATOM 1515 CA ASP A 96 3.438 8.040 0.303 1.00 0.00 C ATOM 1516 C ASP A 96 4.691 7.618 1.052 1.00 0.00 C ATOM 1517 O ASP A 96 5.744 8.200 0.970 1.00 0.00 O ATOM 1518 CB ASP A 96 3.495 9.530 0.001 1.00 0.00 C ATOM 1519 CG ASP A 96 3.691 10.378 1.266 1.00 0.00 C ATOM 1520 OD1 ASP A 96 4.000 11.567 1.137 1.00 0.00 O ATOM 1521 OD2 ASP A 96 3.444 9.851 2.437 1.00 0.00 O ATOM 0 H ASP A 96 2.598 8.132 2.180 1.00 0.00 H new ATOM 0 HA ASP A 96 3.320 7.508 -0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.311 9.726 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.573 9.832 -0.496 1.00 0.00 H new ATOM 1526 N LEU A 97 4.516 6.513 1.732 1.00 0.00 N ATOM 1527 CA LEU A 97 5.399 5.901 2.598 1.00 0.00 C ATOM 1528 C LEU A 97 5.785 6.636 3.872 1.00 0.00 C ATOM 1529 O LEU A 97 6.173 5.997 4.858 1.00 0.00 O ATOM 1530 CB LEU A 97 6.429 5.261 1.863 1.00 0.00 C ATOM 1531 CG LEU A 97 5.948 4.583 0.701 1.00 0.00 C ATOM 1532 CD1 LEU A 97 6.899 4.748 -0.434 1.00 0.00 C ATOM 1533 CD2 LEU A 97 5.935 3.271 1.023 1.00 0.00 C ATOM 0 H LEU A 97 3.643 5.990 1.659 1.00 0.00 H new ATOM 0 HA LEU A 97 4.838 5.117 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.169 6.003 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.938 4.546 2.509 1.00 0.00 H new ATOM 0 HG LEU A 97 4.973 4.973 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.515 4.225 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.010 5.808 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.869 4.333 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.575 2.691 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.944 2.949 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.275 3.112 1.876 1.00 0.00 H new ATOM 1545 N ASP A 98 5.580 7.940 3.891 1.00 0.00 N ATOM 1546 CA ASP A 98 5.705 8.729 5.064 1.00 0.00 C ATOM 1547 C ASP A 98 4.396 8.606 5.741 1.00 0.00 C ATOM 1548 O ASP A 98 4.283 8.378 6.965 1.00 0.00 O ATOM 1549 CB ASP A 98 6.025 10.191 4.708 1.00 0.00 C ATOM 1550 CG ASP A 98 7.508 10.404 4.507 1.00 0.00 C ATOM 1551 OD1 ASP A 98 7.997 10.207 3.382 1.00 0.00 O ATOM 1552 OD2 ASP A 98 8.218 10.703 5.484 1.00 0.00 O ATOM 0 H ASP A 98 5.317 8.475 3.064 1.00 0.00 H new ATOM 0 HA ASP A 98 6.522 8.397 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.491 10.470 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.667 10.846 5.502 1.00 0.00 H new ATOM 1557 N GLY A 99 3.380 8.636 4.925 1.00 0.00 N ATOM 1558 CA GLY A 99 2.103 8.416 5.409 1.00 0.00 C ATOM 1559 C GLY A 99 1.159 9.598 5.200 1.00 0.00 C ATOM 1560 O GLY A 99 0.349 9.922 6.071 1.00 0.00 O ATOM 0 H GLY A 99 3.442 8.814 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.684 7.536 4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.161 8.191 6.474 1.00 0.00 H new ATOM 1564 N ASN A 100 1.297 10.206 4.062 1.00 0.00 N ATOM 1565 CA ASN A 100 0.449 11.231 3.501 1.00 0.00 C ATOM 1566 C ASN A 100 -0.360 10.497 2.540 1.00 0.00 C ATOM 1567 O ASN A 100 0.136 9.634 1.995 1.00 0.00 O ATOM 1568 CB ASN A 100 1.360 12.096 2.743 1.00 0.00 C ATOM 1569 CG ASN A 100 2.091 13.044 3.494 1.00 0.00 C ATOM 1570 OD1 ASN A 100 1.623 13.632 4.468 1.00 0.00 O ATOM 1571 ND2 ASN A 100 3.253 13.174 3.100 1.00 0.00 N ATOM 0 H ASN A 100 2.074 9.982 3.441 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.144 11.799 4.218 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.068 11.463 2.209 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.779 12.630 1.991 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.891 13.801 3.591 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.576 12.655 2.284 1.00 0.00 H new ATOM 1578 N PRO A 101 -1.565 10.880 2.236 1.00 0.00 N ATOM 1579 CA PRO A 101 -2.554 10.071 1.482 1.00 0.00 C ATOM 1580 C PRO A 101 -2.239 10.051 0.041 1.00 0.00 C ATOM 1581 O PRO A 101 -3.006 10.490 -0.775 1.00 0.00 O ATOM 1582 CB PRO A 101 -3.804 10.898 1.748 1.00 0.00 C ATOM 1583 CG PRO A 101 -3.417 11.734 2.912 1.00 0.00 C ATOM 1584 CD PRO A 101 -2.116 12.144 2.480 1.00 0.00 C ATOM 0 HA PRO A 101 -2.612 9.021 1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.074 11.508 0.886 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.664 10.267 1.974 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.092 12.575 3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.391 11.170 3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.145 12.771 1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.573 12.701 3.244 1.00 0.00 H new ATOM 1592 N CYS A 102 -1.049 9.546 -0.242 1.00 0.00 N ATOM 1593 CA CYS A 102 -0.327 9.743 -1.495 1.00 0.00 C ATOM 1594 C CYS A 102 -0.203 11.280 -1.756 1.00 0.00 C ATOM 1595 O CYS A 102 0.218 11.758 -2.799 1.00 0.00 O ATOM 1596 CB CYS A 102 -0.865 8.832 -2.662 1.00 0.00 C ATOM 1597 SG CYS A 102 -0.413 9.290 -4.350 1.00 0.00 S ATOM 0 H CYS A 102 -0.536 8.963 0.420 1.00 0.00 H new ATOM 0 HA CYS A 102 0.698 9.378 -1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -0.515 7.815 -2.484 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.953 8.811 -2.599 1.00 0.00 H new ATOM 0 HG CYS A 102 -0.030 10.532 -4.375 1.00 0.00 H new ATOM 1603 N GLY A 103 -0.594 12.002 -0.667 1.00 0.00 N ATOM 1604 CA GLY A 103 -0.616 13.452 -0.506 1.00 0.00 C ATOM 1605 C GLY A 103 -1.652 14.061 -1.360 1.00 0.00 C ATOM 1606 O GLY A 103 -1.684 15.251 -1.629 1.00 0.00 O ATOM 0 H GLY A 103 -0.924 11.531 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.806 13.703 0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 103 0.360 13.865 -0.761 1.00 0.00 H new ATOM 1610 N GLU A 104 -2.473 13.208 -1.733 1.00 0.00 N ATOM 1611 CA GLU A 104 -3.527 13.391 -2.630 1.00 0.00 C ATOM 1612 C GLU A 104 -4.816 13.802 -1.925 1.00 0.00 C ATOM 1613 O GLU A 104 -5.554 14.657 -2.420 1.00 0.00 O ATOM 1614 CB GLU A 104 -3.638 12.065 -3.358 1.00 0.00 C ATOM 1615 CG GLU A 104 -4.919 11.345 -3.293 1.00 0.00 C ATOM 1616 CD GLU A 104 -4.823 10.125 -4.112 1.00 0.00 C ATOM 1617 OE1 GLU A 104 -5.513 10.007 -5.135 1.00 0.00 O ATOM 1618 OE2 GLU A 104 -4.040 9.217 -3.745 1.00 0.00 O ATOM 0 H GLU A 104 -2.432 12.249 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.345 14.210 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.407 12.241 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.864 11.404 -2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.155 11.088 -2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.727 11.980 -3.656 1.00 0.00 H new ATOM 1625 N LEU A 105 -5.108 13.215 -0.774 1.00 0.00 N ATOM 1626 CA LEU A 105 -6.298 13.546 -0.145 1.00 0.00 C ATOM 1627 C LEU A 105 -6.086 13.847 1.354 1.00 0.00 C ATOM 1628 O LEU A 105 -5.001 13.820 1.843 1.00 0.00 O ATOM 1629 CB LEU A 105 -7.334 12.432 -0.469 1.00 0.00 C ATOM 1630 CG LEU A 105 -8.791 12.813 -0.302 1.00 0.00 C ATOM 1631 CD1 LEU A 105 -9.688 11.995 -1.141 1.00 0.00 C ATOM 1632 CD2 LEU A 105 -9.130 12.591 1.043 1.00 0.00 C ATOM 0 H LEU A 105 -4.527 12.527 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.705 14.483 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.179 12.107 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.127 11.574 0.171 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.912 13.854 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.720 12.309 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.425 12.127 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.583 10.945 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -10.175 12.855 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.980 11.539 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.498 13.206 1.684 1.00 0.00 H new ATOM 1644 N ASP A 106 -7.118 14.311 1.940 1.00 0.00 N ATOM 1645 CA ASP A 106 -7.416 14.455 3.352 1.00 0.00 C ATOM 1646 C ASP A 106 -7.778 13.011 3.810 1.00 0.00 C ATOM 1647 O ASP A 106 -7.188 12.039 3.322 1.00 0.00 O ATOM 1648 CB ASP A 106 -8.659 15.436 3.289 1.00 0.00 C ATOM 1649 CG ASP A 106 -9.696 15.396 4.345 1.00 0.00 C ATOM 1650 OD1 ASP A 106 -9.382 15.375 5.508 1.00 0.00 O ATOM 1651 OD2 ASP A 106 -10.869 15.298 3.951 1.00 0.00 O ATOM 0 H ASP A 106 -7.898 14.654 1.380 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.653 14.838 4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.267 16.453 3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.161 15.261 2.337 1.00 0.00 H new ATOM 1656 N GLU A 107 -8.671 12.860 4.679 1.00 0.00 N ATOM 1657 CA GLU A 107 -9.197 11.565 4.969 1.00 0.00 C ATOM 1658 C GLU A 107 -10.700 11.551 5.074 1.00 0.00 C ATOM 1659 O GLU A 107 -11.309 10.493 5.173 1.00 0.00 O ATOM 1660 CB GLU A 107 -8.566 10.968 6.136 1.00 0.00 C ATOM 1661 CG GLU A 107 -9.344 11.163 7.387 1.00 0.00 C ATOM 1662 CD GLU A 107 -9.035 10.057 8.375 1.00 0.00 C ATOM 1663 OE1 GLU A 107 -9.636 10.029 9.464 1.00 0.00 O ATOM 1664 OE2 GLU A 107 -8.325 9.087 7.984 1.00 0.00 O ATOM 0 H GLU A 107 -9.077 13.619 5.226 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.947 10.940 4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.432 9.900 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.572 11.398 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.102 12.131 7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.411 11.172 7.163 1.00 0.00 H new ATOM 1671 N GLN A 108 -11.278 12.687 4.930 1.00 0.00 N ATOM 1672 CA GLN A 108 -12.670 12.864 4.960 1.00 0.00 C ATOM 1673 C GLN A 108 -13.109 12.853 3.575 1.00 0.00 C ATOM 1674 O GLN A 108 -14.259 13.113 3.221 1.00 0.00 O ATOM 1675 CB GLN A 108 -13.042 14.108 5.688 1.00 0.00 C ATOM 1676 CG GLN A 108 -14.487 14.123 6.063 1.00 0.00 C ATOM 1677 CD GLN A 108 -14.847 15.213 7.059 1.00 0.00 C ATOM 1678 OE1 GLN A 108 -15.952 15.727 7.061 1.00 0.00 O ATOM 1679 NE2 GLN A 108 -13.918 15.571 7.919 1.00 0.00 N ATOM 0 H GLN A 108 -10.763 13.555 4.781 1.00 0.00 H new ATOM 0 HA GLN A 108 -13.169 12.067 5.511 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -12.433 14.198 6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -12.820 14.974 5.064 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -15.086 14.254 5.162 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -14.754 13.154 6.485 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -13.001 15.124 7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -14.114 16.295 8.610 1.00 0.00 H new ATOM 1688 N HIS A 109 -12.180 12.522 2.718 1.00 0.00 N ATOM 1689 CA HIS A 109 -12.575 12.309 1.408 1.00 0.00 C ATOM 1690 C HIS A 109 -12.182 10.969 0.992 1.00 0.00 C ATOM 1691 O HIS A 109 -12.757 10.378 0.094 1.00 0.00 O ATOM 1692 CB HIS A 109 -12.109 13.364 0.527 1.00 0.00 C ATOM 1693 CG HIS A 109 -12.400 14.810 0.969 1.00 0.00 C ATOM 1694 ND1 HIS A 109 -13.597 15.222 1.519 1.00 0.00 N ATOM 1695 CD2 HIS A 109 -11.591 15.898 1.007 1.00 0.00 C ATOM 1696 CE1 HIS A 109 -13.509 16.489 1.873 1.00 0.00 C ATOM 1697 NE2 HIS A 109 -12.301 16.927 1.577 1.00 0.00 N ATOM 0 H HIS A 109 -11.187 12.404 2.920 1.00 0.00 H new ATOM 0 HA HIS A 109 -13.662 12.357 1.342 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -11.031 13.255 0.406 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -12.557 13.211 -0.455 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -14.424 14.636 1.634 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -10.572 15.947 0.653 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -14.296 17.071 2.330 1.00 0.00 H new ATOM 1706 N VAL A 110 -11.266 10.449 1.696 1.00 0.00 N ATOM 1707 CA VAL A 110 -10.947 9.097 1.528 1.00 0.00 C ATOM 1708 C VAL A 110 -11.673 8.321 2.541 1.00 0.00 C ATOM 1709 O VAL A 110 -11.416 7.177 2.848 1.00 0.00 O ATOM 1710 CB VAL A 110 -9.535 8.811 1.494 1.00 0.00 C ATOM 1711 CG1 VAL A 110 -9.136 9.367 0.254 1.00 0.00 C ATOM 1712 CG2 VAL A 110 -8.827 9.478 2.571 1.00 0.00 C ATOM 0 H VAL A 110 -10.718 10.943 2.401 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.273 8.794 0.533 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.322 7.748 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.067 9.210 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -9.684 8.883 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.350 10.436 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.765 9.238 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.961 10.556 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.222 9.141 3.529 1.00 0.00 H new ATOM 1722 N GLU A 111 -12.544 9.047 3.041 1.00 0.00 N ATOM 1723 CA GLU A 111 -13.588 8.708 3.873 1.00 0.00 C ATOM 1724 C GLU A 111 -14.526 7.860 3.111 1.00 0.00 C ATOM 1725 O GLU A 111 -14.969 6.835 3.562 1.00 0.00 O ATOM 1726 CB GLU A 111 -14.206 10.003 4.351 1.00 0.00 C ATOM 1727 CG GLU A 111 -15.443 9.817 5.130 1.00 0.00 C ATOM 1728 CD GLU A 111 -16.678 10.046 4.252 1.00 0.00 C ATOM 1729 OE1 GLU A 111 -17.027 11.224 4.000 1.00 0.00 O ATOM 1730 OE2 GLU A 111 -17.229 9.076 3.707 1.00 0.00 O ATOM 0 H GLU A 111 -12.545 10.049 2.849 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.277 8.135 4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.479 10.538 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.422 10.633 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.468 8.810 5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.456 10.510 5.972 1.00 0.00 H new ATOM 1737 N HIS A 112 -14.715 8.245 1.894 1.00 0.00 N ATOM 1738 CA HIS A 112 -15.569 7.522 1.003 1.00 0.00 C ATOM 1739 C HIS A 112 -14.895 6.329 0.497 1.00 0.00 C ATOM 1740 O HIS A 112 -15.502 5.420 -0.002 1.00 0.00 O ATOM 1741 CB HIS A 112 -16.006 8.406 -0.087 1.00 0.00 C ATOM 1742 CG HIS A 112 -16.824 9.562 0.425 1.00 0.00 C ATOM 1743 ND1 HIS A 112 -18.192 9.536 0.545 1.00 0.00 N ATOM 1744 CD2 HIS A 112 -16.426 10.726 0.960 1.00 0.00 C ATOM 1745 CE1 HIS A 112 -18.592 10.641 1.151 1.00 0.00 C ATOM 1746 NE2 HIS A 112 -17.534 11.380 1.422 1.00 0.00 N ATOM 0 H HIS A 112 -14.282 9.072 1.484 1.00 0.00 H new ATOM 0 HA HIS A 112 -16.454 7.185 1.543 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -15.134 8.785 -0.619 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -16.594 7.834 -0.805 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -15.409 11.084 1.016 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -19.615 10.896 1.385 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -17.541 12.284 1.895 1.00 0.00 H new ATOM 1755 N ALA A 113 -13.655 6.336 0.648 1.00 0.00 N ATOM 1756 CA ALA A 113 -12.870 5.284 0.305 1.00 0.00 C ATOM 1757 C ALA A 113 -12.813 4.310 1.421 1.00 0.00 C ATOM 1758 O ALA A 113 -12.749 3.110 1.233 1.00 0.00 O ATOM 1759 CB ALA A 113 -11.579 5.801 0.036 1.00 0.00 C ATOM 0 H ALA A 113 -13.141 7.126 1.037 1.00 0.00 H new ATOM 0 HA ALA A 113 -13.267 4.767 -0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.912 4.986 -0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -11.638 6.520 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -11.192 6.296 0.927 1.00 0.00 H new ATOM 1765 N ARG A 114 -12.912 4.868 2.574 1.00 0.00 N ATOM 1766 CA ARG A 114 -12.883 4.178 3.801 1.00 0.00 C ATOM 1767 C ARG A 114 -14.215 3.440 3.929 1.00 0.00 C ATOM 1768 O ARG A 114 -14.382 2.540 4.732 1.00 0.00 O ATOM 1769 CB ARG A 114 -12.774 5.205 4.939 1.00 0.00 C ATOM 1770 CG ARG A 114 -12.212 4.722 6.265 1.00 0.00 C ATOM 1771 CD ARG A 114 -12.320 5.851 7.290 1.00 0.00 C ATOM 1772 NE ARG A 114 -11.280 5.797 8.332 1.00 0.00 N ATOM 1773 CZ ARG A 114 -10.745 6.905 8.908 1.00 0.00 C ATOM 1774 NH1 ARG A 114 -11.351 8.085 8.784 1.00 0.00 N ATOM 1775 NH2 ARG A 114 -9.653 6.827 9.657 1.00 0.00 N ATOM 0 H ARG A 114 -13.021 5.876 2.686 1.00 0.00 H new ATOM 0 HA ARG A 114 -12.042 3.486 3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -12.152 6.030 4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -13.769 5.611 5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -12.761 3.846 6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.172 4.420 6.146 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.256 6.808 6.773 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -13.301 5.809 7.764 1.00 0.00 H new ATOM 0 HE ARG A 114 -10.945 4.883 8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.220 8.159 8.255 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -10.946 8.914 9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -9.202 5.925 9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -9.265 7.669 10.082 1.00 0.00 H new ATOM 1789 N LYS A 115 -15.164 3.854 3.090 1.00 0.00 N ATOM 1790 CA LYS A 115 -16.419 3.404 3.105 1.00 0.00 C ATOM 1791 C LYS A 115 -16.597 2.592 1.851 1.00 0.00 C ATOM 1792 O LYS A 115 -17.426 1.773 1.818 1.00 0.00 O ATOM 1793 CB LYS A 115 -17.373 4.643 3.206 1.00 0.00 C ATOM 1794 CG LYS A 115 -18.138 5.045 1.927 1.00 0.00 C ATOM 1795 CD LYS A 115 -19.627 4.659 2.028 1.00 0.00 C ATOM 1796 CE LYS A 115 -19.722 3.203 2.345 1.00 0.00 C ATOM 1797 NZ LYS A 115 -21.067 2.654 2.609 1.00 0.00 N ATOM 0 H LYS A 115 -14.995 4.554 2.367 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.652 2.763 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.104 4.444 3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -16.782 5.500 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.047 6.119 1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.690 4.556 1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.119 5.248 2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.138 4.876 1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -19.288 2.648 1.513 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -19.100 3.007 3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -21.019 1.987 3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.718 3.430 2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.412 2.158 1.762 1.00 0.00 H new ATOM 1811 N GLN A 116 -15.789 2.786 0.813 1.00 0.00 N ATOM 1812 CA GLN A 116 -15.986 1.961 -0.347 1.00 0.00 C ATOM 1813 C GLN A 116 -15.759 0.439 -0.111 1.00 0.00 C ATOM 1814 O GLN A 116 -16.144 -0.405 -0.903 1.00 0.00 O ATOM 1815 CB GLN A 116 -15.421 2.536 -1.632 1.00 0.00 C ATOM 1816 CG GLN A 116 -13.964 2.751 -1.570 1.00 0.00 C ATOM 1817 CD GLN A 116 -13.163 1.522 -1.984 1.00 0.00 C ATOM 1818 OE1 GLN A 116 -12.821 1.372 -3.154 1.00 0.00 O ATOM 1819 NE2 GLN A 116 -12.962 0.607 -1.105 1.00 0.00 N ATOM 0 H GLN A 116 -15.035 3.471 0.759 1.00 0.00 H new ATOM 0 HA GLN A 116 -17.060 2.001 -0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -15.649 1.862 -2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -15.915 3.483 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -13.698 3.587 -2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -13.687 3.034 -0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -13.255 0.755 -0.139 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.510 -0.267 -1.373 1.00 0.00 H new ATOM 1828 N LEU A 117 -15.121 0.117 0.987 1.00 0.00 N ATOM 1829 CA LEU A 117 -15.036 -1.191 1.446 1.00 0.00 C ATOM 1830 C LEU A 117 -16.285 -1.555 2.231 1.00 0.00 C ATOM 1831 O LEU A 117 -16.644 -2.672 2.281 1.00 0.00 O ATOM 1832 CB LEU A 117 -13.753 -1.495 2.212 1.00 0.00 C ATOM 1833 CG LEU A 117 -13.855 -2.738 2.923 1.00 0.00 C ATOM 1834 CD1 LEU A 117 -13.140 -3.720 2.136 1.00 0.00 C ATOM 1835 CD2 LEU A 117 -13.420 -2.621 4.368 1.00 0.00 C ATOM 0 H LEU A 117 -14.644 0.796 1.580 1.00 0.00 H new ATOM 0 HA LEU A 117 -14.983 -1.833 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -12.914 -1.538 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -13.545 -0.687 2.914 1.00 0.00 H new ATOM 0 HG LEU A 117 -14.891 -3.060 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -13.186 -4.689 2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -13.596 -3.797 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -12.099 -3.415 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -13.518 -3.590 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -12.380 -2.297 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -14.048 -1.892 4.879 1.00 0.00 H new ATOM 1847 N GLU A 118 -17.006 -0.580 2.718 1.00 0.00 N ATOM 1848 CA GLU A 118 -18.250 -0.783 3.374 1.00 0.00 C ATOM 1849 C GLU A 118 -19.341 -0.643 2.300 1.00 0.00 C ATOM 1850 O GLU A 118 -20.496 -0.348 2.558 1.00 0.00 O ATOM 1851 CB GLU A 118 -18.449 0.170 4.578 1.00 0.00 C ATOM 1852 CG GLU A 118 -19.705 -0.129 5.424 1.00 0.00 C ATOM 1853 CD GLU A 118 -19.723 -1.559 5.947 1.00 0.00 C ATOM 1854 OE1 GLU A 118 -19.397 -1.786 7.131 1.00 0.00 O ATOM 1855 OE2 GLU A 118 -19.962 -2.500 5.157 1.00 0.00 O ATOM 0 H GLU A 118 -16.728 0.400 2.663 1.00 0.00 H new ATOM 0 HA GLU A 118 -18.294 -1.776 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -17.570 0.113 5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -18.509 1.194 4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -19.747 0.563 6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -20.596 0.046 4.822 1.00 0.00 H new ATOM 1862 N GLU A 119 -18.862 -0.746 1.090 1.00 0.00 N ATOM 1863 CA GLU A 119 -19.642 -0.908 -0.091 1.00 0.00 C ATOM 1864 C GLU A 119 -19.405 -2.312 -0.521 1.00 0.00 C ATOM 1865 O GLU A 119 -20.292 -3.039 -0.918 1.00 0.00 O ATOM 1866 CB GLU A 119 -19.152 0.003 -1.187 1.00 0.00 C ATOM 1867 CG GLU A 119 -19.269 1.424 -0.835 1.00 0.00 C ATOM 1868 CD GLU A 119 -20.698 1.949 -0.767 1.00 0.00 C ATOM 1869 OE1 GLU A 119 -21.110 2.627 -1.691 1.00 0.00 O ATOM 1870 OE2 GLU A 119 -21.380 1.732 0.259 1.00 0.00 O ATOM 0 H GLU A 119 -17.860 -0.717 0.899 1.00 0.00 H new ATOM 0 HA GLU A 119 -20.690 -0.679 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -18.110 -0.228 -1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -19.721 -0.190 -2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.791 1.585 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -18.715 2.012 -1.567 1.00 0.00 H new ATOM 1877 N ALA A 120 -18.139 -2.677 -0.410 1.00 0.00 N ATOM 1878 CA ALA A 120 -17.668 -3.960 -0.719 1.00 0.00 C ATOM 1879 C ALA A 120 -18.205 -4.978 0.205 1.00 0.00 C ATOM 1880 O ALA A 120 -18.844 -5.874 -0.200 1.00 0.00 O ATOM 1881 CB ALA A 120 -16.184 -3.949 -0.825 1.00 0.00 C ATOM 0 H ALA A 120 -17.407 -2.044 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 120 -18.044 -4.255 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -15.829 -4.951 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -15.881 -3.258 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -15.754 -3.630 0.124 1.00 0.00 H new ATOM 1887 N LYS A 121 -17.982 -4.769 1.413 1.00 0.00 N ATOM 1888 CA LYS A 121 -18.452 -5.524 2.515 1.00 0.00 C ATOM 1889 C LYS A 121 -19.869 -5.685 2.498 1.00 0.00 C ATOM 1890 O LYS A 121 -20.362 -6.763 2.545 1.00 0.00 O ATOM 1891 CB LYS A 121 -18.027 -4.800 3.702 1.00 0.00 C ATOM 1892 CG LYS A 121 -16.777 -5.219 4.172 1.00 0.00 C ATOM 1893 CD LYS A 121 -16.182 -4.315 5.193 1.00 0.00 C ATOM 1894 CE LYS A 121 -17.152 -3.438 5.946 1.00 0.00 C ATOM 1895 NZ LYS A 121 -18.138 -4.117 6.830 1.00 0.00 N ATOM 0 H LYS A 121 -17.404 -3.984 1.713 1.00 0.00 H new ATOM 0 HA LYS A 121 -18.045 -6.535 2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -17.987 -3.734 3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -18.770 -4.933 4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -16.876 -6.217 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -16.091 -5.300 3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -15.637 -4.923 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -15.451 -3.674 4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -16.575 -2.742 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -17.704 -2.843 5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -18.675 -3.404 7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -18.792 -4.681 6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -17.637 -4.741 7.494 1.00 0.00 H new ATOM 1909 N ALA A 122 -20.467 -4.624 2.442 1.00 0.00 N ATOM 1910 CA ALA A 122 -21.838 -4.455 2.307 1.00 0.00 C ATOM 1911 C ALA A 122 -22.417 -5.140 1.072 1.00 0.00 C ATOM 1912 O ALA A 122 -23.622 -5.309 0.962 1.00 0.00 O ATOM 1913 CB ALA A 122 -22.069 -3.041 2.216 1.00 0.00 C ATOM 0 H ALA A 122 -19.974 -3.732 2.493 1.00 0.00 H new ATOM 0 HA ALA A 122 -22.333 -4.913 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -23.137 -2.853 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -21.704 -2.554 3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -21.541 -2.641 1.350 1.00 0.00 H new ATOM 1919 N ARG A 123 -21.558 -5.518 0.132 1.00 0.00 N ATOM 1920 CA ARG A 123 -22.005 -6.175 -1.028 1.00 0.00 C ATOM 1921 C ARG A 123 -21.928 -7.635 -0.787 1.00 0.00 C ATOM 1922 O ARG A 123 -22.679 -8.445 -1.327 1.00 0.00 O ATOM 1923 CB ARG A 123 -21.126 -5.798 -2.214 1.00 0.00 C ATOM 1924 CG ARG A 123 -20.321 -6.964 -2.766 1.00 0.00 C ATOM 1925 CD ARG A 123 -19.151 -6.537 -3.566 1.00 0.00 C ATOM 1926 NE ARG A 123 -18.364 -7.710 -4.019 1.00 0.00 N ATOM 1927 CZ ARG A 123 -17.421 -7.714 -4.980 1.00 0.00 C ATOM 1928 NH1 ARG A 123 -17.154 -6.594 -5.668 1.00 0.00 N ATOM 1929 NH2 ARG A 123 -16.753 -8.849 -5.255 1.00 0.00 N ATOM 0 H ARG A 123 -20.550 -5.367 0.178 1.00 0.00 H new ATOM 0 HA ARG A 123 -23.030 -5.882 -1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -21.754 -5.392 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -20.442 -5.005 -1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -19.980 -7.586 -1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -20.969 -7.584 -3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -19.486 -5.963 -4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -18.519 -5.878 -2.971 1.00 0.00 H new ATOM 0 HE ARG A 123 -18.556 -8.599 -3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -17.666 -5.736 -5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.439 -6.601 -6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -16.962 -9.702 -4.736 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -16.038 -8.856 -5.982 1.00 0.00 H new ATOM 1943 N VAL A 124 -21.017 -7.930 0.047 1.00 0.00 N ATOM 1944 CA VAL A 124 -20.582 -9.260 0.255 1.00 0.00 C ATOM 1945 C VAL A 124 -21.450 -9.887 1.217 1.00 0.00 C ATOM 1946 O VAL A 124 -22.110 -10.883 0.965 1.00 0.00 O ATOM 1947 CB VAL A 124 -19.155 -9.275 0.735 1.00 0.00 C ATOM 1948 CG1 VAL A 124 -18.722 -10.638 1.041 1.00 0.00 C ATOM 1949 CG2 VAL A 124 -18.250 -8.650 -0.248 1.00 0.00 C ATOM 0 H VAL A 124 -20.535 -7.240 0.623 1.00 0.00 H new ATOM 0 HA VAL A 124 -20.624 -9.813 -0.684 1.00 0.00 H new ATOM 0 HB VAL A 124 -19.110 -8.687 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -17.688 -10.623 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -19.358 -11.055 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -18.796 -11.253 0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -17.228 -8.677 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -18.304 -9.196 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -18.549 -7.615 -0.411 1.00 0.00 H new ATOM 1959 N GLN A 125 -21.440 -9.191 2.245 1.00 0.00 N ATOM 1960 CA GLN A 125 -22.187 -9.216 3.411 1.00 0.00 C ATOM 1961 C GLN A 125 -22.874 -10.520 3.872 1.00 0.00 C ATOM 1962 O GLN A 125 -22.655 -10.974 4.986 1.00 0.00 O ATOM 1963 CB GLN A 125 -23.027 -8.069 3.185 1.00 0.00 C ATOM 1964 CG GLN A 125 -24.164 -8.129 2.160 1.00 0.00 C ATOM 1965 CD GLN A 125 -25.497 -8.597 2.696 1.00 0.00 C ATOM 1966 OE1 GLN A 125 -25.807 -8.437 3.863 1.00 0.00 O ATOM 1967 NE2 GLN A 125 -26.321 -9.113 1.826 1.00 0.00 N ATOM 0 H GLN A 125 -20.765 -8.429 2.301 1.00 0.00 H new ATOM 0 HA GLN A 125 -21.563 -9.178 4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -23.472 -7.802 4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -22.375 -7.245 2.895 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -24.294 -7.137 1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -23.864 -8.793 1.349 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -26.029 -9.233 0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -27.257 -9.396 2.116 1.00 0.00 H new ATOM 1976 N ALA A 126 -23.640 -11.087 3.016 1.00 0.00 N ATOM 1977 CA ALA A 126 -24.399 -12.184 3.239 1.00 0.00 C ATOM 1978 C ALA A 126 -23.612 -13.484 3.186 1.00 0.00 C ATOM 1979 O ALA A 126 -23.321 -14.102 4.207 1.00 0.00 O ATOM 1980 CB ALA A 126 -25.490 -12.168 2.246 1.00 0.00 C ATOM 0 H ALA A 126 -23.735 -10.735 2.063 1.00 0.00 H new ATOM 0 HA ALA A 126 -24.794 -12.146 4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -26.128 -13.040 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -26.081 -11.261 2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -25.068 -12.192 1.241 1.00 0.00 H new ATOM 1986 N GLN A 127 -23.269 -13.896 1.989 1.00 0.00 N ATOM 1987 CA GLN A 127 -22.606 -15.013 1.748 1.00 0.00 C ATOM 1988 C GLN A 127 -21.141 -14.760 1.561 1.00 0.00 C ATOM 1989 O GLN A 127 -20.732 -13.976 0.716 1.00 0.00 O ATOM 1990 CB GLN A 127 -23.205 -15.566 0.514 1.00 0.00 C ATOM 1991 CG GLN A 127 -24.066 -16.763 0.730 1.00 0.00 C ATOM 1992 CD GLN A 127 -23.317 -17.993 1.264 1.00 0.00 C ATOM 1993 OE1 GLN A 127 -22.311 -17.892 1.966 1.00 0.00 O ATOM 1994 NE2 GLN A 127 -23.807 -19.159 0.938 1.00 0.00 N ATOM 0 H GLN A 127 -23.494 -13.373 1.143 1.00 0.00 H new ATOM 0 HA GLN A 127 -22.683 -15.705 2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -23.799 -14.789 0.033 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -22.405 -15.829 -0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -24.860 -16.503 1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -24.546 -17.026 -0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -24.642 -19.216 0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -23.355 -20.012 1.266 1.00 0.00 H new ATOM 2003 N ARG A 128 -20.366 -15.392 2.391 1.00 0.00 N ATOM 2004 CA ARG A 128 -18.981 -15.377 2.284 1.00 0.00 C ATOM 2005 C ARG A 128 -18.446 -16.278 1.200 1.00 0.00 C ATOM 2006 O ARG A 128 -17.260 -16.302 0.936 1.00 0.00 O ATOM 2007 CB ARG A 128 -18.308 -15.684 3.557 1.00 0.00 C ATOM 2008 CG ARG A 128 -18.209 -14.528 4.526 1.00 0.00 C ATOM 2009 CD ARG A 128 -17.368 -13.418 3.958 1.00 0.00 C ATOM 2010 NE ARG A 128 -16.011 -13.848 3.551 1.00 0.00 N ATOM 2011 CZ ARG A 128 -15.509 -13.729 2.287 1.00 0.00 C ATOM 2012 NH1 ARG A 128 -16.254 -13.206 1.315 1.00 0.00 N ATOM 2013 NH2 ARG A 128 -14.269 -14.136 2.010 1.00 0.00 N ATOM 0 H ARG A 128 -20.714 -15.942 3.177 1.00 0.00 H new ATOM 0 HA ARG A 128 -18.748 -14.350 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -18.841 -16.501 4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -17.302 -16.043 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -19.207 -14.153 4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -17.776 -14.872 5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -17.879 -12.992 3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -17.281 -12.624 4.700 1.00 0.00 H new ATOM 0 HE ARG A 128 -15.410 -14.262 4.264 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -17.204 -12.892 1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -15.875 -13.119 0.372 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -13.689 -14.540 2.745 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -13.901 -14.044 1.063 1.00 0.00 H new ATOM 2027 N ALA A 129 -19.305 -17.093 0.726 1.00 0.00 N ATOM 2028 CA ALA A 129 -19.078 -17.960 -0.378 1.00 0.00 C ATOM 2029 C ALA A 129 -18.444 -17.261 -1.576 1.00 0.00 C ATOM 2030 O ALA A 129 -18.986 -16.293 -2.106 1.00 0.00 O ATOM 2031 CB ALA A 129 -20.338 -18.623 -0.774 1.00 0.00 C ATOM 0 H ALA A 129 -20.243 -17.184 1.116 1.00 0.00 H new ATOM 0 HA ALA A 129 -18.358 -18.707 -0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -20.151 -19.284 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -20.722 -19.205 0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -21.072 -17.869 -1.058 1.00 0.00 H new ATOM 2037 N GLU A 130 -17.325 -17.806 -2.007 1.00 0.00 N ATOM 2038 CA GLU A 130 -16.517 -17.294 -3.079 1.00 0.00 C ATOM 2039 C GLU A 130 -15.527 -18.374 -3.454 1.00 0.00 C ATOM 2040 O GLU A 130 -15.890 -19.307 -4.175 1.00 0.00 O ATOM 2041 CB GLU A 130 -15.871 -15.909 -2.771 1.00 0.00 C ATOM 2042 CG GLU A 130 -15.253 -15.801 -1.375 1.00 0.00 C ATOM 2043 CD GLU A 130 -14.669 -14.450 -1.060 1.00 0.00 C ATOM 2044 OE1 GLU A 130 -15.391 -13.434 -1.167 1.00 0.00 O ATOM 2045 OE2 GLU A 130 -13.529 -14.396 -0.565 1.00 0.00 O ATOM 0 H GLU A 130 -16.942 -18.657 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 130 -17.145 -17.068 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -15.100 -15.707 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -16.630 -15.134 -2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -16.016 -16.036 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -14.471 -16.554 -1.277 1.00 0.00 H new ATOM 2052 N GLN A 131 -14.322 -18.330 -2.936 1.00 0.00 N ATOM 2053 CA GLN A 131 -13.497 -19.473 -3.065 1.00 0.00 C ATOM 2054 C GLN A 131 -13.779 -20.318 -1.859 1.00 0.00 C ATOM 2055 O GLN A 131 -13.253 -20.090 -0.769 1.00 0.00 O ATOM 2056 CB GLN A 131 -12.004 -19.209 -3.165 1.00 0.00 C ATOM 2057 CG GLN A 131 -11.284 -20.502 -3.533 1.00 0.00 C ATOM 2058 CD GLN A 131 -9.798 -20.498 -3.337 1.00 0.00 C ATOM 2059 OE1 GLN A 131 -9.132 -19.471 -3.438 1.00 0.00 O ATOM 2060 NE2 GLN A 131 -9.268 -21.664 -3.065 1.00 0.00 N ATOM 0 H GLN A 131 -13.915 -17.537 -2.440 1.00 0.00 H new ATOM 0 HA GLN A 131 -13.739 -19.951 -4.014 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -11.808 -18.444 -3.917 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -11.627 -18.827 -2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -11.708 -21.313 -2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -11.493 -20.728 -4.579 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -9.862 -22.490 -2.991 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.261 -21.747 -2.927 1.00 0.00 H new ATOM 2069 N GLN A 132 -14.698 -21.188 -2.025 1.00 0.00 N ATOM 2070 CA GLN A 132 -15.111 -22.074 -1.012 1.00 0.00 C ATOM 2071 C GLN A 132 -14.903 -23.490 -1.465 1.00 0.00 C ATOM 2072 O GLN A 132 -15.719 -24.376 -1.240 1.00 0.00 O ATOM 2073 CB GLN A 132 -16.531 -21.756 -0.592 1.00 0.00 C ATOM 2074 CG GLN A 132 -16.608 -20.584 0.366 1.00 0.00 C ATOM 2075 CD GLN A 132 -15.869 -20.835 1.674 1.00 0.00 C ATOM 2076 OE1 GLN A 132 -16.442 -21.317 2.633 1.00 0.00 O ATOM 2077 NE2 GLN A 132 -14.593 -20.528 1.711 1.00 0.00 N ATOM 0 H GLN A 132 -15.202 -21.307 -2.904 1.00 0.00 H new ATOM 0 HA GLN A 132 -14.502 -21.949 -0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -17.127 -21.536 -1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -16.972 -22.635 -0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -16.192 -19.700 -0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -17.654 -20.366 0.582 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -14.141 -20.125 0.890 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -14.053 -20.692 2.561 1.00 0.00 H new ATOM 2086 N ALA A 133 -13.764 -23.660 -2.092 1.00 0.00 N ATOM 2087 CA ALA A 133 -13.280 -24.879 -2.628 1.00 0.00 C ATOM 2088 C ALA A 133 -11.779 -24.743 -2.615 1.00 0.00 C ATOM 2089 O ALA A 133 -11.297 -23.659 -3.058 1.00 0.00 O ATOM 2090 CB ALA A 133 -13.786 -25.084 -4.046 1.00 0.00 C ATOM 2091 OXT ALA A 133 -11.096 -25.653 -2.157 1.00 0.00 O ATOM 0 H ALA A 133 -13.116 -22.887 -2.244 1.00 0.00 H new ATOM 0 HA ALA A 133 -13.619 -25.740 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -13.402 -26.026 -4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -14.876 -25.110 -4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -13.444 -24.263 -4.677 1.00 0.00 H new TER 2097 ALA A 133